HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-SEP-04 1XE7 COMPND HYPOTHETICAL 22.5 KDA PROTEIN IN TUB1-CPR3 COMPND 3 INTERGENIC REGION; COMPND 4 CHAIN: A, B, C; COMPND 5 SYNONYM: YML079WP; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 GENE: YML079W; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYS; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PCRT7-CT-TOPO AUTHOR C.-Z.ZHOU,P.MEYER,S.QUEVILLON-CHERUEL,I.LI DE LA SIERRA- AUTHOR 2 GALLAY,B.COLLINET,M.GRAILLE,N.LEULLIOT,I.SOREL,J.JANIN, AUTHOR 3 H.VAN TILBEURGH HET GUN A 210 11 HET GUN B 210 11 HET GUN C 210 11 HET EDO B 301 4 HET EDO B 302 4 HET EDO C 303 4 HET EDO A 306 4 HET EDO A 304 4 HET EDO B 305 4 HET ACY A 307 4 SITE 1 AC1 8 HIS A 42 PHE A 48 GLU A 50 ILE A 82 SITE 1 AC2 11 HIS B 42 PHE B 48 GLU B 50 ILE B 82 SITE 1 AC3 5 HOH B 358 HIS C 42 GLU C 50 ILE C 82 SITE 1 AC4 8 ARG B 53 ASN B 77 PHE B 171 ASP B 172 SITE 1 AC5 7 ASP B 172 PHE B 173 ARG C 53 PHE C 171 SITE 1 AC6 5 TYR C 56 ASN C 100 ARG C 101 VAL C 168 SITE 1 AC7 5 ASN A 100 ARG A 101 VAL A 168 TYR B 56 SITE 1 AC8 5 PHE A 129 TYR A 131 HOH A 359 TRP B 37 SITE 1 AC9 4 TRP A 37 ARG A 108 PHE B 129 HOH B 318 SITE 1 BC1 6 THR A 80 ILE A 82 GLU A 165 PHE A 171 mALA.A 9 178.24 143.81 34.35 178.07 143.49 33.42 179.30 145.58 35.74 180.32 145.69 35.06 178.50 144.28 35.74 179.25 143.21 36.52 2 0 14.30-999 ?-999 ?-999 ? O2 EDO A 304 mASN.A 10 178.84 146.57 36.50 178.00 146.36 37.00 180.98 147.65 36.96 181.33 146.69 37.65 179.53 147.85 36.57 178.84 148.77 37.58 2 0 17.24-999 ?-999 ?-999 ? O2 EDO A 304 mALA.A 11 181.84 148.56 36.51 181.43 149.28 35.96 183.82 149.84 37.15 183.45 150.84 36.54 183.26 148.47 36.81 184.02 147.88 35.62 2 0 17.21-999 ?-999 ?-999 ? O2 EDO A 304 mALA.A 12 184.71 149.87 38.13 184.90 148.98 38.55 186.31 151.51 37.42 186.94 150.65 36.80 185.34 151.11 38.52 186.09 150.93 39.84 2 0 20.30-999 ?-999 ?-999 ? O2 EDO A 304 mILE.A 13 186.41 152.80 37.15 185.82 153.38 37.71 188.63 153.65 36.79 188.81 154.74 37.34 187.31 153.31 36.13 186.70 154.54 35.44 3 0 21.55-999 ?-999 ?-999 ? O2 EDO A 304 mGLU.A 14 189.57 152.71 36.75 189.28 151.88 36.26 191.99 152.54 36.36 192.66 151.52 36.47 190.88 152.87 37.37 190.97 151.95 38.59 2 0 22.32-999 ?-999 ?-999 ? O2 EDO A 304 mPRO.A 15 192.19 153.42 35.37 191.58 154.21 35.40 194.59 152.94 34.90 195.02 153.61 35.84 193.21 153.25 34.32 193.21 154.59 33.60 3 0 22.54-999 ?-999 ?-999 ? O2 EDO A 304 mALA~A 16 195.27 151.95 34.34 194.80 151.49 33.59 197.61 152.65 34.38 197.29 153.56 33.61 196.60 151.59 34.81 197.01 150.23 34.25 2 0 22.32-999 ?-999 ?-999 ? C2 EDO B 305 mSER~A 17 198.83 152.53 34.88 198.96 151.74 35.48 200.08 153.74 33.08 200.09 154.89 32.64 199.88 153.49 34.57 201.21 153.03 35.19 2 0 23.68-999 ?-999 ?-999 ? C2 EDO B 305 mPHE~A 18 200.23 152.67 32.30 200.18 151.78 32.76 199.23 153.29 30.07 199.32 153.48 28.85 200.45 152.84 30.87 201.10 151.59 30.25 3 0 20.90-999 ?-999 ?-999 ? C2 EDO B 305 mVAL~A 19 198.10 153.47 30.73 198.14 153.24 31.71 196.92 155.48 30.18 196.67 156.20 29.21 196.90 153.96 30.05 195.60 153.40 30.67 3 0 20.88-999 ?-999 ?-999 ? O6 GUN A 210 mLYS~A 20 197.23 155.96 31.38 197.41 155.27 32.07 198.51 157.97 30.90 198.49 159.10 30.42 197.30 157.40 31.63 197.46 157.67 33.13 2 0 22.93-999 ?-999 ?-999 ? O6 GUN A 210 mVAL~A 21 199.57 157.17 30.82 199.45 156.28 31.26 201.24 156.46 29.20 202.02 155.57 29.57 200.81 157.57 30.15 201.93 157.84 31.17 3 0 23.74-999 ?-999 ?-999 ? O6 GUN A 210 mPRO.A 22 200.74 156.49 27.96 200.12 157.25 27.78 202.58 155.26 26.82 203.36 156.20 26.90 201.08 155.47 26.96 200.46 156.03 25.68 3 0 21.23-999 ?-999 ?-999 ? O6 GUN A 210 mMET.A 23 202.97 154.01 26.61 202.23 153.34 26.58 204.73 153.95 24.98 203.87 153.88 24.10 204.38 153.67 26.43 204.61 152.20 26.77 2 0 20.43-999 ?-999 ?-999 ? C2 EDO B 305 mPRO.A 24 205.99 154.29 24.69 206.62 154.34 25.47 206.26 153.39 22.35 205.99 153.56 21.17 206.37 154.57 23.30 207.81 155.08 23.43 3 0 21.04-999 ?-999 ?-999 ? C2 EDO B 305 mGLU.A 25 206.46 152.18 22.88 206.66 152.18 23.86 205.66 149.85 22.76 205.67 149.76 23.98 206.40 150.98 22.06 207.82 150.49 21.73 2 0 17.76-999 ?-999 ?-999 ? C2 EDO B 305 mPRO.A 26 205.01 148.98 21.98 205.07 149.15 21.00 205.21 146.64 22.67 206.30 146.64 22.10 204.28 147.85 22.57 203.17 147.61 21.55 3 0 14.21-999 ?-999 ?-999 ? C2 EDO B 305 mPRO~A 27 204.78 145.60 23.40 203.89 145.71 23.84 205.89 143.91 22.09 205.03 144.06 21.22 205.62 144.41 23.52 204.74 143.44 24.31 3 0 12.87-999 ?-999 ?-999 ? C2 EDO B 305 mSER~A 28 207.06 143.34 21.85 207.67 143.26 22.64 206.39 141.87 19.91 206.18 141.86 18.69 207.39 142.87 20.51 208.81 142.29 20.49 2 0 12.48-999 ?-999 ?-999 ? C2 EDO B 305 mSER~A 29 205.77 141.04 20.75 206.03 141.15 21.71 203.62 140.77 19.57 203.13 140.32 18.53 204.80 140.07 20.25 204.28 139.19 21.40 2 0 8.88-999 ?-999 ?-999 ? C2 EDO B 305 mLEU~A 30 203.17 141.87 20.16 203.65 142.13 21.00 202.50 143.41 18.37 201.75 143.56 17.41 202.05 142.62 19.60 201.46 143.57 20.66 3 0 8.14-999 ?-999 ?-999 ? C2 EDO B 305 mGLN~A 31 203.74 143.90 18.40 204.26 143.73 19.23 204.29 143.68 16.06 203.96 144.06 14.94 204.25 144.64 17.25 205.66 145.18 17.52 2 0 11.08-999 ?-999 ?-999 ? C2 EDO B 305 mGLN~A 32 204.69 142.44 16.32 204.93 142.28 17.28 203.38 141.14 14.71 203.20 140.98 13.50 204.77 141.41 15.27 205.36 140.12 15.84 2 0 9.63-999 ?-999 ?-999 ? C1 EDO B 305 mLEU~A 33 202.39 141.07 15.60 202.68 141.19 16.55 200.57 142.01 14.29 199.95 141.81 13.25 201.01 140.84 15.18 200.09 140.75 16.40 3 0 6.43-999 ?-999 ?-999 ? C1 EDO B 305 mILE~A 34 200.88 143.23 14.72 201.37 143.24 15.59 201.18 144.39 12.57 200.52 144.67 11.57 200.54 144.42 13.97 200.99 145.70 14.73 3 0 9.40-999 ?-999 ?-999 ? C1 EDO B 305 mASN~A 35 202.46 144.04 12.52 202.87 143.82 13.41 202.70 142.88 10.32 202.48 143.13 9.13 203.17 143.99 11.25 204.68 143.82 11.48 2 0 11.48-999 ?-999 ?-999 ? C1 EDO B 305 mASP~A 36 202.57 141.67 10.84 202.78 141.60 11.81 200.72 140.73 9.46 200.46 140.42 8.29 202.13 140.55 10.01 202.21 139.23 10.79 2 0 9.72-999 ?-999 ?-999 ? C1 EDO B 305 mTRP~A 37 199.81 141.22 10.29 200.16 141.42 11.21 198.22 142.78 9.22 197.13 143.09 8.73 198.42 141.43 9.88 197.49 141.31 11.09 3 0 -8.86-999 ?-999 ?-999 ? C1 EDO B 305s mGLN~A 38 199.27 143.59 9.21 200.09 143.20 9.63 198.10 145.77 9.22 197.34 146.42 8.49 199.22 144.92 8.62 199.08 144.82 7.09 2 0 12.20-999 ?-999 ?-999 ? C1 EDO B 305 mLEU.A 39 198.02 145.78 10.54 198.68 145.20 11.01 197.49 148.03 11.15 198.69 148.29 11.16 197.01 146.59 11.22 196.87 146.16 12.69 3 0 11.35-999 ?-999 ?-999 ? N9 GUN A 210 mILE^A 40 196.55 148.97 11.06 195.61 148.62 11.05 196.29 151.12 12.17 195.32 150.66 12.76 196.90 150.38 10.99 196.39 151.02 9.68 3 0 9.40-999 ?-999 ?-999 ? C8 GUN A 210 mLYS^A 41 196.87 152.27 12.51 197.66 152.53 11.96 194.99 153.65 13.29 194.82 154.30 12.25 196.34 153.04 13.63 197.32 154.15 14.02 2 0 9.14-999 ?-999 ?-999 ? N7 GUN A 210 mHIS.A 42 194.01 153.43 14.17 194.28 152.88 14.95 192.64 155.42 14.46 193.41 155.79 15.35 192.66 153.97 13.98 191.65 153.13 14.78 3 0 -6.05-999 ?-999 ?-999 ? N7 GUN A 210s mARG.A 43 191.77 156.23 13.88 191.20 155.80 13.18 191.33 157.87 15.71 191.69 158.88 16.30 191.68 157.65 14.24 190.62 158.36 13.39 2 0 6.64-999 ?-999 ?-999 ? N7 GUN A 210 mGLU.A 44 190.62 156.91 16.30 190.39 156.14 15.71 191.20 156.36 18.67 190.97 156.36 19.87 190.22 157.02 17.70 188.83 156.41 17.91 2 0 8.24-999 ?-999 ?-999 ? O6 GUN A 210 mGLY.A 45 192.29 155.82 18.13 192.36 155.91 17.14 193.18 153.66 18.72 192.15 153.16 18.28 193.27 155.15 18.96-999.99-999.99-999.99 1 0 10.21-999 ?-999 ?-999 ? O6 GUN A 210 mGLY.A 46 194.27 152.94 19.01 195.04 153.47 19.37 194.65 151.13 17.38 194.82 151.99 16.52 194.28 151.51 18.81-999.99-999.99-999.99 1 0 10.55-999 ?-999 ?-999 ? O6 GUN A 210 mTYR^A 47 194.78 149.83 17.12 194.63 149.23 17.91 193.96 148.56 15.22 193.24 147.89 15.97 195.12 149.36 15.78 196.36 148.47 15.82 3 0 10.18-999 ?-999 ?-999 ? N7 GUN A 210 mPHE^A 48 193.77 148.59 13.91 194.43 149.13 13.38 192.83 147.53 11.86 193.76 148.00 11.21 192.65 147.86 13.33 191.38 148.70 13.47 3 0 -7.93-999 ?-999 ?-999 ? C6 GUN A 210s mLYS^A 49 191.91 146.72 11.36 191.25 146.38 12.03 190.54 145.78 9.60 190.00 144.93 10.32 191.89 146.37 9.95 192.97 145.35 9.58 2 0 7.10-999 ?-999 ?-999 ? N3 GUN A 210 mGLU^A 50 189.98 146.25 8.50 190.50 146.96 8.02 189.06 144.48 7.27 189.82 144.54 6.29 188.70 145.74 8.04 188.00 146.76 7.15 2 0 -4.95-999 ?-999 ?-999 ? N2 GUN A 210s mTHR^A 51 188.55 143.34 7.73 187.96 143.44 8.52 187.70 141.52 6.26 187.86 140.54 5.53 188.85 142.05 7.11 189.22 141.01 8.17 2 0 8.23-999 ?-999 ?-999 ? N2 GUN A 210 mASP^A 52 186.53 142.13 6.39 186.51 142.88 7.05 184.39 142.84 5.41 184.17 143.66 6.31 185.38 141.71 5.59 184.69 140.48 6.22 2 0 8.08-999 ?-999 ?-999 ? OXT ACY A 307 mARG^A 53 183.83 142.91 4.21 184.16 142.21 3.57 181.96 143.13 2.87 182.41 142.76 1.78 182.83 143.90 3.85 183.48 145.12 3.18 2 0 7.79-999 ?-999 ?-999 ? OXT ACY A 307 mSER.A 54 180.72 142.88 3.27 180.49 143.26 4.17 179.66 142.57 1.02 179.68 143.76 0.73 179.79 142.10 2.47 178.40 142.11 3.10 2 0 10.54-999 ?-999 ?-999 ? OXT ACY A 307 mPRO.A 55 179.52 141.60 0.09 179.53 140.68 0.47 177.93 142.32 -1.60 177.60 142.86 -2.65 179.37 141.88 -1.35 179.65 140.52 -2.00 3 0 13.91-999 ?-999 ?-999 ? OXT ACY A 307 mTYR.A 56 177.07 142.07 -0.61 177.48 141.61 0.18 175.43 143.81 -0.14 176.04 144.20 0.86 175.66 142.42 -0.70 174.82 141.40 0.07 3 0 14.70-999 ?-999 ?-999 ? OXT ACY A 307 mTHR^A 57 174.52 144.55 -0.77 174.09 144.12 -1.56 172.76 146.01 0.15 171.94 145.12 -0.11 174.21 145.90 -0.31 174.45 146.93 -1.43 2 0 13.87-999 ?-999 ?-999 ? C1 EDO A 306 mMET^A 58 172.46 147.10 0.85 173.23 147.72 0.99 170.85 148.86 1.37 171.77 149.66 1.53 171.11 147.36 1.35 170.95 146.77 2.77 2 0 11.36-999 ?-999 ?-999 ? C1 EDO A 306 mGLU^A 59 169.59 149.25 1.17 168.94 148.50 1.01 168.60 150.95 2.53 167.78 150.17 3.03 169.23 150.65 1.18 168.24 150.98 0.06 2 0 11.30-999 ?-999 ?-999 ? C1 EDO A 306 mVAL^A 60 169.00 152.06 3.13 169.67 152.60 2.62 168.12 153.90 4.49 168.77 154.74 3.86 168.48 152.43 4.44 169.50 152.12 5.55 3 0 8.35-999 ?-999 ?-999 ? O1 EDO A 306 mGLU.A 61 167.07 154.21 5.25 166.63 153.43 5.69 167.54 156.21 6.47 167.71 155.65 7.56 166.63 155.59 5.42 165.17 155.62 5.88 2 0 9.14-999 ?-999 ?-999 ? O1 EDO A 306 mLYS.A 62 168.12 157.35 6.15 167.89 157.70 5.24 168.60 159.47 7.31 168.21 160.17 6.38 169.02 158.03 7.07 170.45 157.99 6.51 2 0 8.74-999 ?-999 ?-999 ? O1 EDO A 306 mPRO.A 63 168.65 159.93 8.57 168.97 159.26 9.25 169.30 162.30 8.38 170.49 162.18 8.67 168.26 161.30 8.89 168.19 161.28 10.42 3 0 10.86-999 ?-999 ?-999 ? O1 EDO A 306 mVAL.A 64 168.84 163.28 7.61 167.85 163.25 7.44 169.59 165.60 7.84 168.65 165.76 8.63 169.74 164.29 7.06 169.44 164.57 5.57 3 0 14.07-999 ?-999 ?-999 ? O1 EDO A 306 mMET.A 73 167.57 158.22 1.46 167.31 159.17 1.65 169.40 156.72 0.75 169.84 157.40 -0.19 167.94 156.84 1.18 167.04 156.25 0.09 2 0 12.81-999 ?-999 ?-999 ? O1 EDO A 306 mVAL^A 74 170.15 155.86 1.43 169.67 155.39 2.17 171.83 154.15 0.94 171.05 153.32 1.40 171.55 155.65 1.10 172.49 156.21 2.20 3 0 12.15-999 ?-999 ?-999 ? O1 EDO A 306 mTHR^A 75 172.94 153.82 0.29 173.48 154.59 -0.04 174.48 152.07 0.99 175.39 152.87 1.17 173.30 152.42 0.09 173.67 152.15 -1.39 2 0 12.66-999 ?-999 ?-999 ? O1 EDO A 306 mARG^A 76 174.45 150.87 1.55 173.64 150.33 1.30 175.74 148.91 2.19 174.86 148.21 1.70 175.50 150.40 2.44 175.07 150.57 3.90 2 0 11.13-999 ?-999 ?-999 ? O1 EDO A 306 mASN^A 77 176.93 148.43 2.52 177.60 149.10 2.85 176.39 146.45 3.57 176.19 147.16 4.56 177.18 147.01 2.39 178.68 146.70 2.52 2 0 10.34-999 ?-999 ?-999 ? OXT ACY A 307 mGLN.A 78 175.92 145.21 3.48 176.14 144.73 2.63 175.91 144.61 5.89 175.33 144.80 6.97 175.14 144.66 4.59 174.64 143.26 4.25 2 0 10.15-999 ?-999 ?-999 ? O2 EDO A 306 mSER.A 79 177.23 144.38 5.81 177.58 144.26 4.89 179.53 144.51 6.79 180.03 144.37 5.67 178.04 144.31 7.03 177.85 142.95 7.71 2 0 7.31-999 ?-999 ?-999 ? OXT ACY A 307 mTHR^A 80 180.24 144.84 7.87 179.68 144.98 8.69 182.21 144.35 9.13 181.52 144.32 10.16 181.68 144.99 7.84 182.17 146.45 7.76 2 0 -4.27-999 ?-999 ?-999 ? OXT ACY A 307s mLEU^A 81 183.43 143.84 9.05 183.85 143.96 8.15 185.50 143.72 10.32 186.21 143.88 9.33 184.09 143.18 10.16 184.16 141.68 9.89 3 0 4.63-999 ?-999 ?-999 ? OXT ACY A 307 mILE^A 82 185.90 144.02 11.56 185.21 143.89 12.27 187.88 143.80 13.00 187.19 143.22 13.84 187.26 144.49 11.79 187.34 146.02 12.09 3 0 5.17-999 ?-999 ?-999 ? OXT ACY A 307s mTYR^A 83 189.21 143.84 13.04 189.63 144.24 12.22 190.27 144.68 14.82 190.50 145.67 14.12 189.98 143.33 14.17 191.32 142.73 13.73 3 0 8.35-999 ?-999 ?-999 ? CH3 ACY A 307 mTYR^A 84 190.25 144.75 16.14 190.02 143.90 16.61 191.44 145.63 18.01 191.05 144.81 18.83 190.56 146.00 16.82 189.29 146.71 17.29 3 0 8.70-999 ?-999 ?-999 ? O ACY A 307 mLEU^A 85 192.62 146.24 18.07 192.76 146.92 17.35 194.09 147.15 19.89 194.44 148.17 19.31 193.60 145.94 19.11 194.81 145.25 18.46 3 0 10.10-999 ?-999 ?-999 ? C2 EDO B 305 mLEU^A 86 194.09 147.04 21.22 193.71 146.18 21.57 195.91 147.57 22.60 196.03 146.38 22.89 194.60 148.11 22.06 193.65 148.45 23.21 3 0 12.46-999 ?-999 ?-999 ? C2 EDO B 305 mTHR.A 87 196.90 148.44 22.73 196.65 149.38 22.48 198.76 149.07 24.18 198.22 150.16 24.33 198.23 148.05 23.18 199.21 148.04 22.00 2 0 12.64-999 ?-999 ?-999 ? C2 EDO B 305 mPRO.A 88 199.87 148.74 24.87 200.25 147.84 24.68 200.83 151.03 25.21 200.87 152.04 25.90 200.42 149.68 25.84 201.60 148.91 26.43 3 0 15.59-999 ?-999 ?-999 ? C2 EDO B 305 mASP.A 89 201.11 151.04 23.91 201.04 150.15 23.45 200.29 153.04 22.69 200.37 154.24 22.40 201.50 152.28 23.24 202.51 152.01 22.12 2 0 17.20-999 ?-999 ?-999 ? C2 EDO B 305 mSER.A 90 199.17 152.34 22.52 199.27 151.37 22.74 196.88 152.18 22.83 196.19 151.32 22.29 197.93 152.96 22.05 197.74 152.75 20.54 2 0 15.39-999 ?-999 ?-999 ? O6 GUN A 210 mPRO.A 91 196.76 152.46 24.14 197.39 153.19 24.43 194.42 152.36 25.16 193.63 151.88 25.97 195.83 151.82 25.07 196.55 151.97 26.40 3 0 16.12-999 ?-999 ?-999 ? O6 GUN A 210 mILE^A 92 194.09 153.36 24.35 194.81 153.64 23.71 192.04 154.13 23.11 192.62 154.50 22.09 192.77 153.96 24.42 192.86 155.36 25.08 3 0 13.96-999 ?-999 ?-999 ? O6 GUN A 210 mGLY^A 93 190.74 153.84 23.15 190.41 153.49 24.03 189.01 155.20 22.45 188.17 155.04 23.34 189.87 154.04 22.00-999.99-999.99-999.99 1 0 10.56-999 ?-999 ?-999 ? O6 GUN A 210 mLYS^A 94 189.23 156.38 21.87 189.93 156.34 21.16 187.02 157.57 21.95 186.57 156.88 21.03 188.51 157.60 22.24 189.14 158.80 21.54 2 0 11.49-999 ?-999 ?-999 ? O6 GUN A 210 mPHE^A 95 186.26 158.33 22.74 186.78 158.83 23.43 184.34 158.73 21.18 184.80 159.69 20.56 184.80 158.41 22.59 184.23 159.47 23.53 3 0 11.98-999 ?-999 ?-999 ? O6 GUN A 210 mHIS^A 96 183.41 157.93 20.69 183.15 157.19 21.31 181.54 157.30 19.32 181.34 156.40 20.13 182.82 158.11 19.36 183.77 157.61 18.26 3 0 9.63-999 ?-999 ?-999 ? O6 GUN A 210 mLYS^A 97 180.66 157.61 18.37 180.93 158.38 17.78 179.14 156.58 16.77 179.73 157.19 15.87 179.43 156.87 18.23 178.26 157.65 18.84 2 0 9.94-999 ?-999 ?-999 ? O6 GUN A 210 mASN^A 98 178.25 155.62 16.54 177.89 155.18 17.36 176.33 155.22 15.22 175.74 154.90 16.25 177.85 155.27 15.19 178.40 153.89 14.79 2 0 8.48-999 ?-999 ?-999 ? O2 EDO A 306 mILE.A 99 175.71 155.55 14.10 176.32 155.82 13.35 173.78 154.09 14.20 172.67 153.85 14.69 174.26 155.53 14.00 173.81 156.01 12.60 3 0 5.77-999 ?-999 ?-999 ? O1 EDO A 306 mASN.A 100 174.63 153.14 13.82 175.50 153.47 13.46 174.82 151.04 15.16 175.84 151.45 15.72 174.27 151.73 13.93 174.74 150.98 12.68 2 0 -3.34-999 ?-999 ?-999 ? O2 EDO A 306s mARG.A 101 174.14 149.97 15.58 173.32 149.76 15.04 175.80 148.39 16.32 175.93 147.99 15.16 174.57 149.20 16.73 173.46 148.25 17.19 2 0 -3.98-999 ?-999 ?-999 ? O2 EDO A 306s mILE^A 102 176.69 148.14 17.26 176.47 148.50 18.17 178.08 146.20 17.84 178.01 146.30 19.07 177.90 147.40 16.93 179.14 148.32 17.00 3 0 6.36-999 ?-999 ?-999 ? CH3 ACY A 307 mILE^A 103 178.31 145.05 17.20 178.32 145.14 16.21 180.02 143.63 18.17 180.84 143.77 17.26 178.52 143.78 17.88 178.09 142.59 16.98 3 0 7.52-999 ?-999 ?-999 ? CH3 ACY A 307 mHIS^A 104 180.36 143.37 19.42 179.60 143.29 20.06 182.00 141.80 20.32 181.20 141.26 21.10 181.77 143.20 19.80 182.17 144.20 20.89 3 0 8.16-999 ?-999 ?-999 ? CH3 ACY A 307 mILE^A 105 183.10 141.19 19.90 183.68 141.74 19.29 184.86 139.76 20.78 185.79 140.04 20.02 183.42 139.83 20.31 183.21 138.86 19.14 3 0 10.63-999 ?-999 ?-999 ? CH3 ACY A 307 mLEU^A 106 185.05 139.40 22.05 184.21 139.22 22.56 187.14 138.10 22.04 186.57 137.02 21.89 186.40 139.29 22.61 186.32 139.13 24.13 3 0 9.32-999 ?-999 ?-999 ? O2 EDO A 304 mGLN^A 107 188.43 138.28 21.75 188.78 139.21 21.90 190.42 136.91 22.17 190.65 135.78 22.57 189.22 137.17 21.26 189.66 137.43 19.81 2 0 7.67-999 ?-999 ?-999 ? O2 EDO B 305 mARG^A 108 191.16 137.96 22.50 190.85 138.83 22.11 192.52 139.00 24.31 192.29 140.15 23.94 192.32 137.82 23.38 193.60 137.63 22.55 2 0 -6.34-999 ?-999 ?-999 ? O2 EDO B 305s mGLY^A 109 192.97 138.72 25.53 193.09 137.75 25.73 192.09 140.31 27.31 191.08 139.63 27.50 193.24 139.79 26.47-999.99-999.99-999.99 1 0 9.11-999 ?-999 ?-999 ? O2 EDO B 305 mLYS.A 110 192.28 141.52 27.82 193.15 141.94 27.55 191.23 143.68 28.43 192.21 144.33 28.10 191.31 142.18 28.67 191.66 141.91 30.14 2 0 11.36-999 ?-999 ?-999 ? O2 EDO A 304 mGLY^A 111 190.03 144.23 28.60 189.30 143.60 28.87 188.63 146.14 29.14 187.94 145.37 29.81 189.85 145.65 28.40-999.99-999.99-999.99 1 0 13.69-999 ?-999 ?-999 ? O2 EDO A 304 mGLN^A 112 188.35 147.43 29.03 189.00 147.95 28.46 186.51 149.02 28.79 187.16 149.79 28.07 187.20 148.01 29.69 187.63 148.69 31.01 2 0 15.20-999 ?-999 ?-999 ? O2 EDO A 304 mTYR^A 113 185.19 149.01 28.81 184.79 148.32 29.41 183.69 150.95 28.87 183.31 150.65 30.01 184.41 149.94 28.00 183.39 149.19 27.14 3 0 15.41-999 ?-999 ?-999 ? CH3 ACY A 307 mVAL^A 114 183.52 152.14 28.33 183.92 152.24 27.42 181.79 153.73 27.99 182.16 154.11 26.87 182.80 153.21 29.00 183.73 154.35 29.43 3 0 17.05-999 ?-999 ?-999 ? O6 GUN A 210 mLEU^A 115 180.51 153.72 28.37 180.36 153.38 29.29 178.76 155.42 28.04 178.53 155.52 29.25 179.45 154.19 27.49 178.40 153.09 27.30 3 0 16.44-999 ?-999 ?-999 ? CH3 ACY A 307 mVAL^A 116 178.45 156.36 27.16 178.73 156.17 26.22 176.49 157.70 26.72 176.59 157.93 25.51 177.74 157.57 27.58 178.59 158.84 27.39 3 0 17.43-999 ?-999 ?-999 ? O2 EDO A 306 mTYR.A 117 175.33 157.54 27.34 175.40 157.36 28.32 173.65 159.07 26.37 174.07 159.97 27.08 174.06 157.62 26.62 172.97 156.87 27.40 3 0 15.82-999 ?-999 ?-999 ? C2 EDO A 306 mPRO.A 118 172.81 159.30 25.34 172.52 158.49 24.84 171.75 161.42 26.19 171.85 162.64 26.26 172.37 160.66 25.03 171.40 160.46 23.86 3 0 15.79-999 ?-999 ?-999 ? O1 EDO A 306 mASP.A 119 171.13 160.69 27.11 171.14 159.71 26.93 171.54 161.66 29.34 171.22 162.31 30.34 170.51 161.30 28.28 169.45 160.36 28.85 2 0 18.75-999 ?-999 ?-999 ? O1 EDO A 306 mGLY.A 120 172.78 161.22 29.15 172.92 160.68 28.31 174.32 160.38 30.97 175.38 160.49 31.59 173.84 161.52 30.09-999.99-999.99-999.99 1 0 20.66-999 ?-999 ?-999 ? O1 EDO A 306 mGLN.A 121 173.57 159.29 31.03 172.74 159.31 30.48 175.32 157.57 31.39 175.54 157.40 30.19 173.99 158.17 31.86 172.92 157.06 31.86 2 0 20.59-999 ?-999 ?-999 ? C2 EDO A 306 mVAL^A 122 176.19 157.27 32.35 175.88 157.48 33.27 177.50 155.23 32.55 177.11 154.96 33.69 177.49 156.67 32.04 178.65 157.43 32.72 3 0 20.81-999 ?-999 ?-999 ? O2 EDO A 306 mLYS^A 123 177.96 154.31 31.71 178.24 154.67 30.82 179.44 152.39 31.78 180.05 152.79 30.80 178.03 152.91 32.07 177.00 152.13 31.26 2 0 19.91-999 ?-999 ?-999 ? O2 EDO A 306 mSER^A 124 179.95 151.51 32.63 179.36 151.27 33.40 181.31 149.49 32.83 180.76 149.12 33.87 181.28 150.95 32.40 182.34 151.75 33.16 2 0 18.46-999 ?-999 ?-999 ? O2 EDO A 304 mPHE^A 125 181.94 148.66 32.00 182.32 149.09 31.19 183.37 146.70 31.75 183.98 147.29 30.86 182.05 147.23 32.28 180.88 146.47 31.65 3 0 14.71-999 ?-999 ?-999 ? O2 EDO A 304 mLYS^A 126 183.81 145.58 32.32 183.22 145.21 33.03 184.87 143.82 30.95 183.89 143.08 31.03 185.07 144.98 31.91 185.84 144.50 33.15 2 0 12.22-999 ?-999 ?-999 ? O2 EDO A 304 mVAL^A 127 185.82 143.68 30.03 186.55 144.36 30.10 186.93 141.63 29.28 188.08 142.02 29.49 185.80 142.62 29.03 185.95 143.23 27.61 3 0 9.65-999 ?-999 ?-999 ? O2 EDO A 304 mGLY.A 128 186.59 140.35 29.27 185.62 140.17 29.08 186.86 137.96 29.56 185.63 137.90 29.47 187.56 139.30 29.51-999.99-999.99-999.99 1 0 6.93-999 ?-999 ?-999 ? O2 EDO A 304 mPHE.A 129 187.62 136.88 29.70 188.60 137.06 29.78 186.68 135.03 31.14 186.25 133.89 31.30 187.02 135.55 29.74 187.93 134.54 29.04 3 0 -3.53-999 ?-999 ?-999 ? O2 EDO A 304s mASP~A 130 186.85 135.88 32.15 187.21 136.77 31.89 185.13 135.96 33.85 184.95 136.91 34.61 186.54 135.48 33.53 187.55 136.10 34.49 2 0 5.27-999 ?-999 ?-999 ? O2 EDO A 304 mTYR~A 131 184.13 135.30 33.27 184.41 134.54 32.69 182.29 135.54 34.92 181.37 136.24 35.35 182.74 135.69 33.47 181.82 134.90 32.53 3 0 -5.27-999 ?-999 ?-999 ? O2 EDO A 304s mLYS~A 132 182.94 134.66 35.66 183.67 134.16 35.19 182.88 135.73 37.85 182.30 135.97 38.91 182.59 134.46 37.06 183.37 133.29 37.65 2 0 8.15-999 ?-999 ?-999 ? O2 EDO A 304 mASN~A 133 183.77 136.56 37.31 184.17 136.24 36.45 183.52 139.04 37.27 184.06 140.14 37.36 184.12 137.82 37.96 185.64 137.95 38.06 2 0 9.90-999 ?-999 ?-999 ? O2 EDO A 304 mGLY~A 134 182.41 138.83 36.56 182.10 137.88 36.54 182.13 140.32 34.50 181.46 141.14 33.87 181.72 139.92 35.90-999.99-999.99-999.99 1 0 9.96-999 ?-999 ?-999 ? O2 EDO A 304 mGLU.A 135 183.23 139.75 34.00 183.67 139.10 34.62 182.83 139.48 31.56 182.27 138.40 31.73 183.72 140.07 32.66 185.15 139.55 32.49 2 0 7.83-999 ?-999 ?-999 ? O2 EDO A 304 mVAL.A 136 182.70 140.19 30.44 183.18 141.07 30.44 182.77 139.48 28.09 183.82 140.12 27.96 181.90 139.69 29.33 180.73 140.65 28.98 3 0 7.15-999 ?-999 ?-999 ? O2 EDO A 304 mSER.A 137 182.35 138.59 27.20 181.48 138.14 27.44 182.32 138.60 24.71 182.80 138.34 23.60 183.10 138.30 25.99 183.60 136.85 25.99 2 0 6.37-999 ?-999 ?-999 ? O2 EDO A 304 mGLN^A 138 181.12 139.14 24.88 180.87 139.24 25.85 179.46 140.74 24.32 179.01 140.73 25.48 180.23 139.55 23.78 179.19 138.47 23.43 2 0 9.55-999 ?-999 ?-999 ? O2 EDO A 304 mTRP^A 139 179.32 141.78 23.51 179.76 141.69 22.62 178.13 143.79 22.75 178.84 143.89 21.75 178.56 142.96 23.94 179.36 143.80 24.97 3 0 12.65-999 ?-999 ?-999 ? CH3 ACY A 307 mVAL^A 140 176.94 144.37 22.85 176.45 144.18 23.70 176.27 146.62 22.28 175.73 146.84 23.36 176.43 145.20 21.77 175.04 144.70 21.29 3 0 10.03-999 ?-999 ?-999 ? O2 EDO A 306 mVAL^A 141 176.79 147.58 21.53 177.27 147.27 20.71 175.60 149.54 20.94 175.80 149.54 19.72 176.63 148.98 21.91 177.95 149.77 21.77 3 0 9.50-999 ?-999 ?-999 ? O2 EDO A 306 mPRO.A 142 174.44 149.98 21.47 174.38 149.90 22.47 173.83 151.76 19.85 174.71 152.50 20.30 173.37 150.53 20.64 172.28 150.88 21.66 3 0 7.49-999 ?-999 ?-999 ? O2 EDO A 306 mGLY.A 143 173.25 151.96 18.68 172.57 151.28 18.40 173.28 154.39 18.66 172.35 154.41 19.48 173.60 153.13 17.89-999.99-999.99-999.99 1 0 6.24-999 ?-999 ?-999 ? O2 EDO A 306 mGLY.A 144 174.04 155.45 18.42 174.78 155.31 17.76 174.46 156.84 20.46 174.47 157.91 21.06 173.80 156.71 19.10-999.99-999.99-999.99 1 0 9.16-999 ?-999 ?-999 ? O1 EDO A 306 mVAL.A 145 175.03 155.74 20.94 174.97 154.94 20.34 177.20 155.93 22.10 177.85 155.19 21.36 175.69 155.73 22.25 175.41 154.39 22.98 3 0 11.61-999 ?-999 ?-999 ? O2 EDO A 306 mPHE^A 146 177.73 156.93 22.79 177.08 157.47 23.32 179.90 156.09 23.49 179.50 155.71 24.59 179.17 157.19 22.74 179.49 158.54 23.39 3 0 13.39-999 ?-999 ?-999 ? O6 GUN A 210 mLYS^A 147 180.96 155.57 22.89 181.17 155.96 21.99 183.24 154.75 23.43 183.74 155.26 22.42 181.74 154.51 23.53 181.39 153.14 22.93 2 0 12.22-999 ?-999 ?-999 ? O6 GUN A 210 mALA^A 148 183.95 154.38 24.49 183.40 153.99 25.23 185.84 153.23 25.22 185.03 152.53 25.84 185.39 154.52 24.56 185.78 155.73 25.41 2 0 12.47-999 ?-999 ?-999 ? O6 GUN A 210 mSER^A 149 187.11 152.91 25.10 187.67 153.55 24.57 189.07 151.89 26.06 189.75 152.75 25.49 187.62 151.70 25.71 187.48 150.52 24.74 2 0 13.54-999 ?-999 ?-999 ? O6 GUN A 210 mPHE^A 150 189.55 151.13 27.03 188.88 150.53 27.47 191.45 149.82 27.79 190.68 148.94 28.20 190.95 151.19 27.39 191.24 152.24 28.49 3 0 15.93-999 ?-999 ?-999 ? O6 GUN A 210 mLEU^A 151 192.75 149.64 27.61 193.22 150.45 27.25 193.51 148.10 29.39 193.66 149.01 30.21 193.45 148.40 27.90 194.88 148.52 27.38 3 0 15.65-999 ?-999 ?-999 ? C2 EDO B 305 mLEU.A 152 193.38 146.82 29.74 193.19 146.20 28.98 194.74 145.50 31.16 194.88 144.61 30.32 193.51 146.40 31.14 192.29 145.59 31.60 3 0 16.17-999 ?-999 ?-999 ? O2 EDO A 304 mPRO.A 153 195.67 145.73 32.11 195.48 146.49 32.73 196.46 143.41 32.26 195.54 143.06 33.00 196.86 144.88 32.17 197.56 145.36 33.45 3 0 16.14-999 ?-999 ?-999 ? C2 EDO B 305 mASN.A 154 197.15 142.56 31.51 197.86 142.97 30.95 198.02 140.35 31.00 198.63 140.73 30.00 196.84 141.14 31.54 195.58 140.85 30.71 2 0 13.67-999 ?-999 ?-999 ? O2 EDO B 305 mGLU.A 155 198.34 139.26 31.67 197.75 139.07 32.46 199.10 137.45 30.16 199.96 137.08 29.36 199.46 138.42 31.27 199.98 137.65 32.49 2 0 12.86-999 ?-999 ?-999 ? O2 EDO B 305 mGLU.A 156 197.83 137.05 30.08 197.21 137.45 30.75 197.66 136.51 27.62 197.91 135.66 26.77 197.43 136.08 29.07 195.96 135.66 29.26 2 0 9.97-999 ?-999 ?-999 ? O2 EDO B 305 mPHE.A 157 197.59 137.80 27.34 197.38 138.40 28.12 198.86 139.37 25.91 198.72 140.35 25.18 197.81 138.27 25.97 196.48 138.73 25.35 3 0 7.55-999 ?-999 ?-999 ? O2 EDO B 305 mASP.A 158 199.93 139.21 26.68 199.90 138.39 27.26 200.60 141.63 26.77 201.08 142.48 26.02 201.03 140.17 26.68 201.88 139.96 25.42 2 0 9.96-999 ?-999 ?-999 ? C2 EDO B 305 mASN.A 159 199.70 141.92 27.71 199.40 141.14 28.26 198.56 143.87 26.64 198.73 145.06 26.34 199.20 143.28 27.90 200.32 144.20 28.42 2 0 11.91-999 ?-999 ?-999 ? C2 EDO B 305 mGLY.A 160 197.82 143.03 25.93 197.79 142.09 26.28 195.62 143.21 24.88 195.19 142.56 25.83 197.12 143.46 24.73-999.99-999.99-999.99 1 0 9.45-999 ?-999 ?-999 ? C2 EDO B 305 mPHE^A 161 194.83 143.72 23.94 195.32 144.21 23.22 192.90 143.47 22.53 192.83 144.48 21.84 193.37 143.55 23.98 192.75 144.76 24.69 3 0 9.70-999 ?-999 ?-999 ? C2 EDO B 305 mLEU^A 162 192.59 142.26 22.08 192.68 141.54 22.77 190.69 141.60 20.63 190.27 140.65 21.30 192.15 142.02 20.70 193.01 140.91 20.09 3 0 7.69-999 ?-999 ?-999 ? C2 EDO B 305 mILE^A 163 189.90 142.30 19.82 190.36 143.07 19.36 188.14 142.04 18.17 188.93 142.54 17.36 188.50 141.95 19.65 187.54 142.91 20.41 3 0 10.14-999 ?-999 ?-999 ? C2 EDO B 305 mSER^A 164 186.95 141.54 17.83 186.47 141.11 18.59 185.13 142.43 16.63 184.42 142.28 17.63 186.42 141.63 16.48 186.08 140.24 15.91 2 0 7.71-999 ?-999 ?-999 ? CH3 ACY A 307 mGLU^A 165 184.84 143.28 15.65 185.51 143.32 14.92 182.86 143.88 14.38 183.46 143.84 13.31 183.61 144.07 15.69 183.92 145.55 15.89 2 0 -4.44-999 ?-999 ?-999 ? CH3 ACY A 307s mVAL^A 166 181.54 143.77 14.47 181.18 143.80 15.40 179.65 144.68 13.32 178.95 144.80 14.33 180.72 143.62 13.27 180.03 142.24 13.22 3 0 4.35-999 ?-999 ?-999 ? CH3 ACY A 307 mVAL^A 167 179.51 145.46 12.25 180.16 145.28 11.50 177.56 146.22 11.03 178.01 145.88 9.94 178.48 146.48 12.22 179.07 147.92 12.12 3 0 4.47-999 ?-999 ?-999 ? CH3 ACY A 307 mVAL.A 168 176.26 146.36 11.29 176.07 146.62 12.24 174.20 147.30 10.45 173.63 147.48 11.53 175.20 146.16 10.30 174.43 144.84 10.54 3 0 -4.99-999 ?-999 ?-999 ? O2 EDO A 306s mPRO.A 169 173.99 148.10 9.39 173.32 148.82 9.59 176.14 148.24 8.19 176.61 148.73 9.21 174.63 148.01 8.07 173.96 149.12 7.28 3 0 5.81-999 ?-999 ?-999 ? O2 EDO A 306 mGLY.A 170 176.87 147.88 7.13 176.35 147.51 6.36 178.83 149.46 7.36 178.19 150.45 6.98 178.32 148.04 7.13-999.99-999.99-999.99 1 0 6.18-999 ?-999 ?-999 ? OXT ACY A 307 mPHE.A 171 180.02 149.55 7.95 180.44 148.67 8.16 180.78 151.82 7.11 181.18 151.46 5.99 180.63 150.84 8.26 182.01 150.65 8.89 3 0 4.78-999 ?-999 ?-999 ? OXT ACY A 307s mASP~A 172 180.47 153.08 7.40 180.14 153.19 8.34 180.95 155.38 7.35 180.33 155.56 8.40 180.61 154.18 6.46 179.29 154.44 5.71 2 0 7.15-999 ?-999 ?-999 ? C2 GUN A 210 mPHE~A 173 181.93 156.17 6.95 182.36 155.93 6.08 181.18 158.28 8.01 181.15 159.00 9.02 182.33 157.31 7.77 183.50 158.06 7.13 3 0 6.97-999 ?-999 ?-999 ? N7 GUN A 210 mGLU~A 174 180.21 158.30 7.10 180.34 157.66 6.34 178.20 158.86 8.45 177.40 159.68 8.88 179.06 159.19 7.23 178.19 159.12 5.97 2 0 10.71-999 ?-999 ?-999 ? N7 GUN A 210 mASP.A 175 178.35 157.65 8.99 179.04 157.08 8.54 178.38 157.32 11.44 177.88 157.02 12.52 177.57 157.24 10.15 177.07 155.80 9.97 2 0 9.39-999 ?-999 ?-999 ? O1 EDO A 306 mHIS^A 176 179.63 157.76 11.30 179.87 158.00 10.36 180.68 159.30 12.97 180.76 160.26 12.20 180.56 157.87 12.42 181.94 157.39 11.95 3 0 7.72-999 ?-999 ?-999 ? O6 GUN A 210 mTHR^A 177 180.68 159.43 14.29 180.61 158.57 14.79 181.70 160.66 16.16 181.37 159.99 17.13 180.80 160.74 14.93 179.42 161.28 15.40 2 0 10.18-999 ?-999 ?-999 ? O6 GUN A 210 mPHE^A 178 182.85 161.33 16.12 183.03 161.83 15.27 183.40 162.46 18.20 183.02 163.55 17.75 183.73 161.31 17.27 185.21 161.38 16.84 3 0 10.44-999 ?-999 ?-999 ? O6 GUN A 210 mLEU.A 179 183.52 162.22 19.50 183.81 161.30 19.73 184.32 164.31 20.46 185.51 163.99 20.41 183.23 163.25 20.50 183.14 162.61 21.89 3 0 13.87-999 ?-999 ?-999 ? O6 GUN A 210 mLYS~A 180 183.91 165.58 20.47 182.92 165.69 20.53 185.24 167.28 21.76 184.50 168.09 22.34 184.85 166.69 20.41 184.28 167.80 19.52 2 0 16.46-999 ?-999 ?-999 ? O6 GUN A 210 mGLY~A 181 186.40 166.86 22.26 186.87 166.18 21.70 186.03 167.24 24.76 184.89 166.76 24.71 186.90 167.36 23.53-999.99-999.99-999.99 1 0 18.71-999 ?-999 ?-999 ? O6 GUN A 210 mGLU~A 182 186.58 167.67 25.89 187.51 168.03 25.77 184.69 168.56 27.17 183.75 168.38 27.95 185.90 167.63 27.17 186.87 168.04 28.29 2 0 21.28-999 ?-999 ?-999 ? O6 GUN A 210 mASP~A 183 184.73 169.57 26.30 185.55 169.59 25.74 182.31 169.86 25.86 181.30 170.10 26.52 183.64 170.53 26.19 183.96 171.57 25.12 2 0 22.96-999 ?-999 ?-999 ? O6 GUN A 210 mGLU~A 184 182.31 169.03 24.83 183.20 168.93 24.37 180.75 167.27 25.46 179.58 166.99 25.70 181.10 168.33 24.42 181.30 167.67 23.06 2 0 20.60-999 ?-999 ?-999 ? O6 GUN A 210 mLEU~A 185 181.78 166.70 26.08 182.67 167.04 25.78 180.91 166.32 28.31 180.05 165.71 28.95 181.60 165.68 27.10 182.96 165.13 27.54 3 0 20.37-999 ?-999 ?-999 ? O6 GUN A 210 mLYS~A 186 181.31 167.55 28.60 182.00 167.91 27.97 179.27 168.53 29.59 178.54 168.46 30.57 180.77 168.31 29.72 181.50 169.65 29.81 2 0 24.17-999 ?-999 ?-999 ? O6 GUN A 210 mHIS~A 187 178.82 168.78 28.37 179.52 168.81 27.66 176.59 167.74 28.42 175.49 167.82 28.95 177.40 169.01 28.12 177.16 169.41 26.66 3 0 24.50-999 ?-999 ?-999 ? O6 GUN A 210 mLEU~A 188 177.17 166.60 28.08 178.08 166.70 27.68 176.48 164.78 29.72 175.41 164.45 30.24 176.51 165.30 28.29 177.18 164.24 27.41 3 0 21.96-999 ?-999 ?-999 ? O1 EDO A 306 mVAL~A 189 177.64 164.71 30.37 178.42 165.04 29.85 177.97 165.18 32.84 177.99 164.81 34.01 177.72 164.17 31.72 178.82 163.09 31.80 3 0 24.19-999 ?-999 ?-999 ? O6 GUN A 210 mGLY~A 190 178.15 166.45 32.49 178.10 166.64 31.50 179.90 167.66 33.68 180.70 166.87 33.19 178.41 167.45 33.50-999.99-999.99-999.99 1 0 27.09-999 ?-999 ?-999 ? O6 GUN A 210 mPRO~A 191 180.32 168.73 34.39 179.57 169.28 34.75 182.56 168.01 35.39 183.62 167.60 34.91 181.73 169.05 34.62 181.66 170.39 35.35 3 0 28.17-999 ?-999 ?-999 ? O6 GUN A 210 mGLU~A 192 182.10 167.61 36.56 181.23 168.02 36.83 183.08 165.30 36.67 184.20 164.79 36.68 182.83 166.64 37.38 182.09 166.40 38.70 2 0 29.02-999 ?-999 ?-999 ? O6 GUN A 210 mLYS~A 193 182.03 164.74 36.07 181.18 165.26 36.14 183.03 163.65 34.13 183.82 162.78 33.78 182.16 163.47 35.37 180.78 162.94 34.97 2 0 25.88-999 ?-999 ?-999 ? O6 GUN A 210 mALA~A 194 182.88 164.80 33.48 182.20 165.42 33.88 185.15 165.10 32.61 185.96 164.62 31.82 183.66 165.11 32.28 183.25 166.47 31.73 2 0 23.80-999 ?-999 ?-999 ? O6 GUN A 210 mALA~A 195 185.50 165.64 33.77 184.74 165.99 34.31 187.45 164.29 34.42 188.59 163.99 34.05 186.90 165.69 34.20 187.01 166.51 35.48 2 0 25.63-999 ?-999 ?-999 ? O6 GUN A 210 mGLU~A 196 186.64 163.42 35.02 185.74 163.79 35.25 187.23 161.22 34.02 188.06 160.31 33.99 187.05 162.05 35.29 186.02 161.36 36.20 2 0 24.96-999 ?-999 ?-999 ? O6 GUN A 210 mLEU~A 197 186.48 161.54 32.98 185.87 162.31 33.13 187.32 161.51 30.61 187.33 161.06 29.46 186.55 160.79 31.72 185.14 160.48 31.22 3 0 21.16-999 ?-999 ?-999 ? O6 GUN A 210 mALA~A 198 187.97 162.61 30.95 187.91 162.85 31.92 189.76 162.59 29.19 189.94 162.79 27.99 188.71 163.39 29.96 189.38 164.59 30.64 2 0 20.97-999 ?-999 ?-999 ? O6 GUN A 210 mPHE~A 199 190.43 161.68 29.88 190.17 161.59 30.84 190.94 159.99 28.12 191.72 159.41 27.36 191.47 160.88 29.24 192.21 160.03 30.29 3 0 19.71-999 ?-999 ?-999 ? O6 GUN A 210 mLEU~A 200 189.62 159.88 28.01 189.10 160.41 28.69 188.41 159.87 25.83 187.81 159.31 24.92 189.00 159.06 26.98 187.90 158.18 27.59 3 0 16.39-999 ?-999 ?-999 ? O6 GUN A 210 mALA~A 201 188.57 161.19 25.88 189.07 161.52 26.67 189.17 162.69 24.02 190.28 162.84 24.53 188.04 162.05 24.82 187.16 163.13 25.43 2 0 15.93-999 ?-999 ?-999 ? O6 GUN A 210 mHIS.A 202 188.88 163.05 22.78 187.95 162.85 22.49 190.23 165.06 22.49 189.37 165.76 23.02 189.88 163.70 21.92 189.35 163.86 20.50 3 0 15.32-999 ?-999 ?-999 ? O6 GUN A 210 mASN.B 10 195.57 124.08 3.15 196.31 124.75 3.10 194.85 121.93 4.13 195.54 120.99 3.71 194.47 123.08 3.22 194.15 122.56 1.82 2 0 18.00-999 ?-999 ?-999 ? O1 EDO B 305 mALA.B 11 194.39 121.99 5.38 193.84 122.80 5.57 194.11 119.61 6.00 193.10 119.51 5.29 194.69 120.96 6.37 194.17 121.40 7.73 2 0 17.44-999 ?-999 ?-999 ? O1 EDO B 305 mALA.B 12 194.74 118.55 6.50 195.54 118.78 7.05 193.30 116.75 7.31 193.46 117.07 8.49 194.30 117.19 6.24 195.49 116.24 6.22 2 0 20.70-999 ?-999 ?-999 ? O1 EDO B 305 mILE.B 13 192.27 116.03 6.90 192.26 115.84 5.92 191.76 114.36 8.62 191.71 113.22 8.15 191.25 115.55 7.82 189.97 115.13 7.06 3 0 21.93-999 ?-999 ?-999 ? O1 EDO B 305 mGLU.B 14 192.25 114.63 9.83 192.23 115.59 10.08 192.11 113.65 12.07 192.72 114.09 13.04 192.78 113.58 10.69 194.29 113.73 10.83 2 0 22.51-999 ?-999 ?-999 ? O1 EDO B 305 mPRO.B 15 190.85 113.22 12.15 190.51 112.89 11.27 190.63 112.51 14.57 191.21 111.43 14.46 190.01 113.20 13.36 188.75 112.47 12.90 3 0 22.94-999 ?-999 ?-999 ? O1 EDO B 305 mALA~B 16 190.48 113.13 15.74 189.98 114.00 15.68 190.07 111.44 17.43 188.97 111.28 16.89 190.99 112.57 16.98 191.06 113.65 18.06 2 0 22.25-999 ?-999 ?-999 ? C1 EDO A 304 mSER~B 17 190.52 110.66 18.41 191.42 110.92 18.76 188.35 109.91 19.39 187.37 109.23 19.08 189.74 109.53 18.91 190.51 108.83 20.03 2 0 23.76-999 ?-999 ?-999 ? C1 EDO A 304 mPHE~B 18 188.24 110.99 20.16 189.11 111.47 20.33 186.01 111.97 19.61 184.82 112.16 19.86 186.95 111.42 20.68 187.14 112.44 21.81 3 0 21.00-999 ?-999 ?-999 ? C1 EDO A 304 mVAL~B 19 186.54 112.23 18.42 187.52 112.04 18.35 184.91 111.60 16.72 183.69 111.68 16.64 185.73 112.74 17.33 186.60 113.37 16.22 3 0 21.16-999 ?-999 ?-999 ? O6 GUN B 210 mLYS~B 20 185.61 110.55 16.31 186.60 110.63 16.43 184.13 108.66 16.78 183.11 108.05 16.49 184.95 109.39 15.72 185.99 108.43 15.12 2 0 23.02-999 ?-999 ?-999 ? O6 GUN B 210 mVAL~B 21 184.60 108.74 18.03 185.45 109.26 18.11 183.89 109.11 20.30 184.79 109.15 21.14 183.92 108.11 19.15 184.67 106.84 19.62 3 0 23.85-999 ?-999 ?-999 ? O6 GUN B 210 mPRO.B 22 182.84 109.94 20.35 182.16 109.81 19.62 182.64 110.39 22.82 182.23 109.25 23.03 182.71 110.95 21.41 181.43 111.70 21.02 3 0 21.29-999 ?-999 ?-999 ? C1 EDO A 304 mMET.B 23 183.06 111.20 23.78 183.39 112.09 23.45 181.59 110.86 25.65 180.75 111.53 25.04 183.04 110.82 25.19 183.88 111.80 26.01 2 0 20.51-999 ?-999 ?-999 ? C1 EDO A 304 mPRO.B 24 181.26 110.15 26.74 182.02 109.64 27.16 179.40 111.49 27.76 178.26 111.89 27.51 179.88 110.14 27.24 179.93 109.07 28.33 3 0 20.67-999 ?-999 ?-999 ? O1 EDO C 303 mGLU.B 25 180.27 112.20 28.47 181.16 111.76 28.59 181.09 114.49 28.86 182.23 114.09 28.65 179.93 113.51 29.03 179.59 113.38 30.52 2 0 18.32-999 ?-999 ?-999 ? C1 EDO A 304 mPRO.B 26 180.80 115.80 28.93 179.84 116.03 29.10 182.72 116.93 30.04 182.27 116.59 31.14 181.87 116.80 28.78 181.09 118.08 28.48 3 0 14.63-999 ?-999 ?-999 ? C1 EDO A 304 mPRO~B 27 183.96 117.42 29.90 184.25 117.65 28.97 184.15 118.62 31.99 183.46 119.52 31.50 184.78 117.56 31.10 186.14 117.98 30.54 3 0 13.72-999 ?-999 ?-999 ? O1 EDO A 304 mSER~B 28 184.39 118.52 33.29 184.98 117.76 33.54 183.91 120.94 33.94 182.95 121.68 34.13 183.82 119.45 34.27 184.43 119.19 35.65 2 0 13.04-999 ?-999 ?-999 ? O1 EDO A 304 mSER~B 29 185.06 121.39 33.45 185.77 120.70 33.32 184.26 123.26 32.05 183.74 124.38 32.10 185.23 122.81 33.14 186.67 123.11 32.69 2 0 9.32-999 ?-999 ?-999 ? O1 EDO A 304 mLEU~B 30 184.01 122.39 31.08 184.49 121.52 31.16 181.65 122.53 30.38 180.77 123.26 29.91 183.10 122.72 29.98 183.44 121.89 28.75 3 0 8.77-999 ?-999 ?-999 ? C1 EDO A 304 mGLN~B 31 181.38 121.55 31.24 182.17 121.01 31.53 179.56 122.52 32.52 178.40 122.93 32.49 180.01 121.31 31.71 179.95 120.07 32.60 2 0 11.53-999 ?-999 ?-999 ? C2 EDO A 304 mGLN~B 32 180.50 123.10 33.26 181.40 122.66 33.21 179.91 125.46 33.19 179.01 126.24 33.48 180.22 124.27 34.08 181.42 124.57 34.99 2 0 9.87-999 ?-999 ?-999 ? C2 EDO A 304 mLEU~B 33 180.66 125.59 32.09 181.37 124.90 31.98 179.05 126.52 30.52 178.27 127.47 30.44 180.43 126.68 31.14 181.48 126.66 30.02 3 0 6.67-999 ?-999 ?-999 ? C2 EDO A 304 mILE~B 34 178.76 125.30 30.10 179.49 124.64 30.24 176.31 125.29 30.41 175.31 125.88 29.99 177.48 124.96 29.48 177.46 123.46 29.09 3 0 9.57-999 ?-999 ?-999 ? C2 EDO A 304 mASN~B 35 176.44 124.91 31.68 177.30 124.45 31.89 175.22 126.64 32.98 174.10 127.14 33.03 175.38 125.16 32.65 175.65 124.39 33.94 2 0 11.63-999 ?-999 ?-999 ? C2 EDO A 304 mASP~B 36 176.34 127.33 33.20 177.18 126.80 33.11 175.73 129.63 32.43 175.02 130.60 32.69 176.29 128.75 33.54 177.70 129.27 33.89 2 0 9.67-999 ?-999 ?-999 ? C2 EDO A 304 mTRP~B 37 176.05 129.29 31.18 176.62 128.46 31.12 174.32 129.56 29.40 173.80 130.19 28.49 175.61 130.06 30.03 176.70 130.06 28.96 3 0 -8.90-999 ?-999 ?-999 ? C2 EDO A 304s mGLN~B 38 173.82 128.44 29.89 174.33 128.05 30.66 172.78 127.45 27.89 171.92 127.73 27.05 172.61 127.83 29.35 171.39 128.74 29.52 2 0 12.31-999 ?-999 ?-999 ? C2 EDO A 304 mLEU.B 39 173.91 126.83 27.58 174.55 126.70 28.34 173.41 125.06 26.08 173.40 124.24 27.01 174.17 126.38 26.22 175.68 126.18 25.99 3 0 11.67-999 ?-999 ?-999 ? N7 GUN B 210 mILE^B 40 172.76 124.87 24.94 172.86 125.61 24.28 172.53 122.88 23.53 172.94 123.46 22.53 171.97 123.67 24.70 170.50 124.05 24.42 3 0 10.01-999 ?-999 ?-999 ? N7 GUN B 210 mLYS^B 41 172.54 121.56 23.64 172.18 121.19 24.49 172.25 121.02 21.28 171.02 120.98 21.31 173.07 120.75 22.54 173.04 119.26 22.90 2 0 10.44-999 ?-999 ?-999 ? N7 GUN B 210 mHIS.B 42 172.95 121.30 20.19 173.94 121.30 20.33 172.01 120.31 18.16 172.64 119.28 18.39 172.33 121.60 18.91 173.26 122.48 18.07 3 0 -7.42-999 ?-999 ?-999 ? O6 GUN B 210s mARG.B 43 171.03 120.39 17.26 170.61 121.29 17.19 171.76 118.74 15.58 171.96 117.54 15.41 170.62 119.23 16.47 169.41 119.60 15.59 2 0 8.50-999 ?-999 ?-999 ? O6 GUN B 210 mGLU.B 44 172.51 119.68 15.01 172.24 120.62 15.23 174.85 118.97 14.96 175.90 118.64 14.41 173.63 119.35 14.13 173.99 120.55 13.24 2 0 8.69-999 ?-999 ?-999 ? O6 GUN B 210 mGLY.B 45 174.70 119.00 16.28 173.79 119.25 16.60 176.36 119.98 17.74 176.10 121.06 17.21 175.82 118.69 17.16-999.99-999.99-999.99 1 0 10.45-999 ?-999 ?-999 ? O6 GUN B 210 mGLY.B 46 177.11 119.88 18.83 177.26 118.94 19.16 176.64 121.71 20.39 175.47 121.32 20.38 177.66 121.06 19.47-999.99-999.99-999.99 1 0 10.54-999 ?-999 ?-999 ? O6 GUN B 210 mTYR^B 47 177.07 122.68 21.19 178.05 122.86 21.11 176.11 124.84 21.63 177.10 125.39 21.14 176.19 123.40 22.11 176.76 123.38 23.54 3 0 10.02-999 ?-999 ?-999 ? O6 GUN B 210 mPHE^B 48 174.95 125.46 21.76 174.21 124.93 22.18 173.80 127.64 22.06 173.09 127.13 22.93 174.82 126.83 21.29 174.42 126.85 19.81 3 0 -7.70-999 ?-999 ?-999 ? O6 GUN B 210s mLYS^B 49 173.74 128.91 21.72 174.40 129.18 21.02 172.78 131.11 21.51 173.84 131.69 21.23 172.79 129.83 22.32 173.16 130.13 23.77 2 0 7.13-999 ?-999 ?-999 ? N3 GUN B 210 mGLU^B 50 171.59 131.54 21.11 170.82 130.94 21.36 171.47 133.84 21.45 170.61 133.85 22.34 171.45 132.78 20.37 170.12 132.82 19.61 2 0 -4.94-999 ?-999 ?-999 ? N2 GUN B 210s mTHR^B 51 172.45 134.73 21.39 173.07 134.62 20.61 172.13 137.15 21.91 171.97 138.07 22.71 172.59 135.78 22.39 174.05 135.87 22.86 2 0 7.98-999 ?-999 ?-999 ? N2 GUN B 210 mASP^B 52 171.95 137.30 20.60 172.16 136.49 20.04 170.75 138.41 18.73 171.20 137.68 17.85 171.46 138.57 20.06 172.60 139.58 19.89 2 0 7.91-999 ?-999 ?-999 ? N2 GUN B 210 mARG^B 53 169.62 139.09 18.60 169.36 139.59 19.43 168.46 140.57 17.23 167.67 141.09 18.02 168.83 139.10 17.37 167.57 138.23 17.51 2 0 -7.50-999 ?-999 ?-999 ? N2 GUN B 210s mSER.B 54 169.04 141.24 16.25 169.66 140.71 15.67 167.30 142.99 15.97 166.56 142.32 15.26 168.78 142.67 16.06 169.46 143.18 14.80 2 0 7.39-999 ?-999 ?-999 ? C2 EDO A 306 mPRO.B 55 166.86 144.02 16.70 167.56 144.48 17.25 165.14 145.18 15.38 163.98 145.41 15.05 165.45 144.44 16.68 165.33 145.33 17.92 3 0 8.00-999 ?-999 ?-999 ? C2 EDO A 306 mTYR.B 56 166.19 145.55 14.66 167.08 145.32 15.06 165.85 145.19 12.30 166.38 144.09 12.40 166.03 146.24 13.38 167.25 147.11 13.10 3 0 -5.75-999 ?-999 ?-999 ? C1 EDO A 306s mTHR^B 57 165.10 145.54 11.26 164.76 146.48 11.28 165.23 145.09 8.83 165.62 146.24 8.65 164.82 144.59 10.20 163.31 144.28 10.15 2 0 7.98-999 ?-999 ?-999 ? C1 EDO A 306 mMET^B 58 165.13 144.19 7.85 164.82 143.29 8.15 164.65 143.61 5.56 164.33 142.47 5.92 165.46 144.52 6.47 166.96 144.34 6.22 2 0 9.39-999 ?-999 ?-999 ? C1 EDO A 306 mGLU^B 59 164.30 144.12 4.39 164.60 145.06 4.24 164.54 142.81 2.39 165.35 143.57 1.85 163.54 143.35 3.41 162.51 144.24 2.72 2 0 10.44-999 ?-999 ?-999 ? C1 EDO B 301 mVAL^B 60 164.49 141.51 2.15 163.80 141.01 2.67 164.68 139.95 0.26 163.65 139.37 0.61 165.41 140.88 1.20 166.52 140.08 1.91 3 0 11.17-999 ?-999 ?-999 ? O1 EDO B 301 mGLU^B 61 165.22 139.80 -0.95 166.06 140.34 -1.09 165.14 137.51 -1.76 166.34 137.28 -1.61 164.64 138.93 -1.95 165.01 139.43 -3.35 2 0 13.32-999 ?-999 ?-999 ? O1 EDO B 301 mLYS^B 62 164.22 136.56 -1.76 163.29 136.89 -1.89 163.88 134.31 -2.64 162.71 134.51 -2.94 164.58 135.16 -1.59 164.18 134.68 -0.19 2 0 12.53-999 ?-999 ?-999 ? O1 EDO B 301 mPRO.B 63 164.61 133.33 -3.21 165.55 133.27 -2.90 163.04 131.47 -3.61 163.21 131.02 -2.48 164.03 132.45 -4.23 165.26 131.74 -4.80 3 0 15.46-999 ?-999 ?-999 ? O1 EDO B 301 mVAL.B 64 161.98 131.16 -4.36 161.97 131.62 -5.25 160.42 129.44 -5.09 161.15 129.16 -6.05 160.95 130.24 -3.91 159.77 130.98 -3.24 3 0 16.03-999 ?-999 ?-999 ? O1 EDO B 301 mASN.B 70 161.78 132.04 -9.58 162.49 131.57 -10.11 161.25 133.12 -7.43 161.80 132.30 -6.69 160.75 132.72 -8.81 159.51 131.82 -8.68 2 0 20.18-999 ?-999 ?-999 ? O1 EDO B 301 mTHR.B 71 161.06 134.38 -7.08 160.59 134.94 -7.77 160.41 135.76 -5.15 159.41 136.09 -5.79 161.49 134.90 -5.78 162.76 135.76 -5.93 2 0 16.89-999 ?-999 ?-999 ? O1 EDO B 301 mGLU^B 72 160.61 136.11 -3.89 161.46 135.76 -3.49 160.36 137.67 -2.01 161.39 137.22 -1.51 159.67 136.95 -3.16 158.48 136.12 -2.67 2 0 14.76-999 ?-999 ?-999 ? C1 EDO B 301 mMET^B 73 159.79 138.80 -1.60 158.96 139.04 -2.10 159.96 139.10 0.85 158.79 138.82 1.11 160.36 139.60 -0.53 159.92 141.06 -0.68 2 0 12.43-999 ?-999 ?-999 ? C1 EDO B 301 mVAL^B 74 160.95 138.98 1.74 161.86 139.23 1.39 161.40 139.46 4.08 162.35 140.15 3.72 160.70 138.53 3.10 161.21 137.09 3.33 3 0 8.67-999 ?-999 ?-999 ? C1 EDO B 301 mTHR^B 75 160.90 139.49 5.31 160.11 138.89 5.45 162.42 139.49 7.20 162.13 138.33 7.50 161.48 140.33 6.35 160.38 140.93 7.26 2 0 6.38-999 ?-999 ?-999 ? C1 EDO B 301 mARG^B 76 163.55 140.07 7.57 163.66 141.01 7.24 165.08 140.37 9.41 165.08 141.58 9.18 164.52 139.39 8.40 165.68 138.86 7.53 2 0 4.40-999 ?-999 ?-999 ? C1 EDO B 301 mASN^B 77 165.53 139.85 10.55 165.40 138.87 10.66 167.50 141.02 10.82 167.98 140.19 10.04 166.17 140.72 11.52 166.39 139.99 12.84 2 0 -5.39-999 ?-999 ?-999 ? C1 EDO B 301s mGLN.B 78 168.09 142.18 11.07 167.62 142.77 11.73 170.51 141.58 10.72 171.41 141.40 9.89 169.34 142.51 10.40 169.71 143.97 10.65 2 0 -7.62-999 ?-999 ?-999 ? C2 EDO A 306s mSER.B 79 170.50 140.98 11.91 169.72 141.20 12.49 171.23 139.18 13.47 170.29 139.47 14.20 171.58 140.07 12.28 172.83 140.88 12.65 2 0 8.61-999 ?-999 ?-999 ? N2 GUN B 210 mTHR^B 80 171.96 138.09 13.62 172.62 137.94 12.88 173.22 136.82 15.20 174.14 136.77 14.39 171.81 137.20 14.76 171.00 135.90 14.47 2 0 5.22-999 ?-999 ?-999 ? N2 GUN B 210 mLEU^B 81 173.37 136.57 16.49 172.52 136.65 17.03 174.45 135.00 17.98 173.47 134.93 18.71 174.64 136.20 17.07 175.18 137.37 17.91 3 0 5.79-999 ?-999 ?-999 ? N2 GUN B 210 mILE^B 82 175.38 134.05 17.90 176.09 134.20 17.21 176.71 132.52 19.26 177.71 132.92 18.68 175.32 132.88 18.77 174.79 131.59 18.06 3 0 -5.58-999 ?-999 ?-999 ? N2 GUN B 210s mTYR^B 83 176.74 131.79 20.38 175.84 131.66 20.79 177.81 129.83 20.39 176.68 129.32 20.36 177.97 131.25 20.93 177.92 131.16 22.46 3 0 8.99-999 ?-999 ?-999 ? N2 GUN B 210 mTYR^B 84 178.89 129.21 19.93 179.72 129.75 19.96 180.01 127.09 20.02 181.15 127.51 19.86 178.82 127.83 19.43 178.86 127.79 17.90 3 0 9.26-999 ?-999 ?-999 ? O6 GUN B 210 mLEU^B 85 179.73 125.97 20.68 178.76 125.72 20.68 180.82 123.71 21.02 179.79 123.03 21.06 180.77 125.20 21.36 180.58 125.35 22.87 3 0 10.00-999 ?-999 ?-999 ? C1 EDO A 304 mLEU^B 86 182.01 123.22 20.70 182.74 123.90 20.67 182.96 121.23 21.63 183.84 121.89 22.18 182.20 121.80 20.43 183.01 121.58 19.14 3 0 12.38-999 ?-999 ?-999 ? C1 EDO A 304 mTHR.B 87 182.61 120.02 22.03 181.89 119.60 21.48 183.49 117.89 22.88 183.02 117.36 21.88 183.22 119.36 23.19 182.28 119.42 24.41 2 0 12.80-999 ?-999 ?-999 ? C1 EDO A 304 mPRO.B 88 184.26 117.20 23.75 184.58 117.74 24.53 183.35 114.86 23.45 183.41 113.82 22.80 184.58 115.78 23.55 185.44 115.46 24.77 3 0 15.90-999 ?-999 ?-999 ? C1 EDO A 304 mASP.B 89 182.26 115.26 24.09 182.35 116.13 24.58 180.14 114.85 22.86 179.16 114.17 22.56 181.03 114.47 24.05 180.26 114.65 25.36 2 0 17.55-999 ?-999 ?-999 ? C1 EDO A 304 mSER.B 90 180.50 115.95 22.20 181.30 116.40 22.59 180.83 117.24 20.25 180.77 118.46 20.17 179.78 116.44 21.03 178.62 117.35 21.45 2 0 15.59-999 ?-999 ?-999 ? O6 GUN B 210 mPRO.B 91 181.82 116.53 19.68 181.73 115.54 19.83 182.66 117.43 17.45 183.57 117.87 16.75 182.91 117.11 18.91 184.02 116.08 19.08 3 0 16.50-999 ?-999 ?-999 ? O6 GUN B 210 mILE^B 92 181.44 117.21 16.97 180.77 116.86 17.63 179.97 118.39 15.30 178.92 118.26 15.93 181.16 117.49 15.57 180.93 116.18 14.76 3 0 14.44-999 ?-999 ?-999 ? O6 GUN B 210 mGLY^B 93 180.17 119.31 14.36 181.09 119.32 13.99 178.83 119.69 12.52 179.55 120.04 11.58 179.12 120.20 13.93-999.99-999.99-999.99 1 0 11.10-999 ?-999 ?-999 ? O6 GUN B 210 mLYS^B 94 177.81 118.85 12.40 177.31 118.68 13.25 177.14 119.19 9.97 176.71 120.33 10.18 177.45 118.24 11.12 176.28 117.27 11.32 2 0 11.98-999 ?-999 ?-999 ? O6 GUN B 210 mPHE^B 95 177.36 118.70 8.76 177.70 117.76 8.75 175.76 120.13 7.48 174.73 119.47 7.64 177.13 119.47 7.54 177.30 118.59 6.30 3 0 12.52-999 ?-999 ?-999 ? O6 GUN B 210 mHIS^B 96 175.76 121.44 7.26 176.68 121.84 7.19 174.88 123.46 6.33 176.03 123.89 6.29 174.54 122.22 7.14 173.96 122.57 8.52 3 0 9.99-999 ?-999 ?-999 ? O6 GUN B 210 mLYS^B 97 173.87 124.04 5.68 172.98 123.61 5.83 173.04 126.29 5.07 171.95 126.03 5.56 174.08 125.20 4.84 174.06 124.72 3.38 2 0 10.68-999 ?-999 ?-999 ? O6 GUN B 210 mASN^B 98 173.39 127.53 4.71 174.32 127.60 4.34 172.58 129.51 3.61 173.65 129.61 3.01 172.48 128.66 4.86 172.85 129.50 6.09 2 0 10.07-999 ?-999 ?-999 ? O6 GUN B 210 mILE.B 99 171.47 130.12 3.21 170.67 129.93 3.77 172.37 132.18 2.26 172.93 132.73 1.31 171.46 130.98 2.03 170.04 131.50 1.73 3 0 12.53-999 ?-999 ?-999 ? O1 EDO B 301 mASN.B 100 172.50 132.59 3.52 172.01 132.04 4.19 174.74 133.38 4.29 174.98 132.30 4.83 173.32 133.74 3.86 172.64 134.55 4.97 2 0 11.90-999 ?-999 ?-999 ? O1 EDO B 301 mARG.B 101 175.67 134.29 4.03 175.34 135.11 3.56 177.12 134.21 5.93 176.29 134.90 6.53 177.06 134.08 4.41 177.96 135.13 3.75 2 0 12.87-999 ?-999 ?-999 ? N2 GUN B 210 mILE^B 102 178.07 133.53 6.56 178.68 133.02 5.96 179.59 133.94 8.46 180.56 133.37 7.97 178.18 133.58 8.02 177.77 132.22 8.64 3 0 10.58-999 ?-999 ?-999 ? N2 GUN B 210 mILE^B 103 179.67 134.88 9.39 178.78 135.25 9.67 181.21 134.54 11.22 180.35 134.44 12.09 180.93 135.35 9.95 180.84 136.84 10.34 3 0 11.95-999 ?-999 ?-999 ? N2 GUN B 210 mHIS^B 104 182.40 133.95 11.30 182.99 134.10 10.50 183.98 133.81 13.13 184.94 134.20 12.47 182.79 133.15 12.46 183.19 131.73 12.05 3 0 12.37-999 ?-999 ?-999 ? N2 GUN B 210 mILE^B 105 183.92 133.93 14.46 183.08 133.56 14.86 185.48 133.59 16.31 184.71 133.18 17.17 184.99 134.55 15.23 184.49 135.85 15.92 3 0 11.40-999 ?-999 ?-999 ? O1 EDO B 305 mLEU^B 106 186.76 133.24 16.26 187.29 133.64 15.52 187.44 133.00 18.62 187.85 134.15 18.71 187.31 132.32 17.26 188.70 131.83 16.84 3 0 9.42-999 ?-999 ?-999 ? O1 EDO B 305 mGLN^B 107 187.08 132.28 19.68 186.74 131.36 19.48 188.11 132.00 21.93 188.99 132.54 22.58 187.21 132.85 21.02 185.82 133.07 21.64 2 0 7.57-999 ?-999 ?-999 ? C1 EDO A 304 mARG^B 108 187.88 130.69 21.95 187.13 130.39 21.36 188.85 128.41 22.13 187.96 127.94 21.42 188.68 129.79 22.79 188.01 129.59 24.16 2 0 -6.40-999 ?-999 ?-999 ? C1 EDO A 304s mGLY^B 109 189.99 127.78 22.37 190.64 128.28 22.95 190.69 126.34 20.38 191.15 127.30 19.78 190.24 126.46 21.83-999.99-999.99-999.99 1 0 9.09-999 ?-999 ?-999 ? O1 EDO A 304 mLYS.B 110 190.54 125.13 19.83 190.14 124.45 20.44 189.96 123.92 17.76 189.33 123.07 18.40 190.94 124.85 18.45 192.35 124.24 18.43 2 0 11.65-999 ?-999 ?-999 ? O1 EDO B 305 mGLY^B 111 189.85 124.06 16.44 190.43 124.78 16.04 189.28 123.26 14.20 190.15 124.01 13.77 188.96 123.22 15.68-999.99-999.99-999.99 1 0 13.94-999 ?-999 ?-999 ? O1 EDO B 305 mGLN^B 112 188.57 122.45 13.42 187.88 121.90 13.89 187.49 122.39 11.21 186.53 121.75 11.62 188.80 122.40 11.98 189.64 121.16 11.64 2 0 15.38-999 ?-999 ?-999 ? O1 EDO B 305 mTYR^B 113 187.47 123.11 10.09 188.33 123.59 9.89 186.45 122.45 7.92 187.55 122.35 7.38 186.28 123.18 9.24 185.91 124.64 8.96 3 0 16.96-999 ?-999 ?-999 ? O6 GUN B 210 mVAL^B 114 185.33 121.95 7.40 184.52 122.08 7.97 184.16 121.88 5.33 183.00 121.77 5.73 185.31 121.26 6.11 185.07 119.75 6.26 3 0 17.98-999 ?-999 ?-999 ? O6 GUN B 210 mLEU^B 115 184.50 122.54 4.23 185.48 122.53 4.03 183.28 122.48 2.06 184.23 122.21 1.33 183.50 123.19 3.39 183.93 124.64 3.11 3 0 17.55-999 ?-999 ?-999 ? O6 GUN B 210 mVAL^B 116 182.02 122.17 1.77 181.36 122.43 2.46 180.84 122.49 -0.31 179.67 122.71 -0.02 181.67 121.52 0.51 180.85 120.24 0.75 3 0 18.87-999 ?-999 ?-999 ? O6 GUN B 210 mTYR.B 117 181.46 123.08 -1.33 182.42 122.82 -1.44 179.79 123.29 -3.11 179.94 122.10 -3.35 180.77 124.03 -2.19 181.79 124.81 -3.03 3 0 19.94-999 ?-999 ?-999 ? O6 GUN B 210 mPRO.B 118 178.77 124.01 -3.61 178.75 124.97 -3.34 178.45 122.75 -5.71 177.90 121.84 -6.34 177.78 123.38 -4.49 176.87 124.55 -4.87 3 0 20.87-999 ?-999 ?-999 ? O6 GUN B 210 mASP.B 119 179.64 123.24 -6.01 179.93 123.97 -5.39 181.00 121.38 -6.85 181.41 120.66 -7.76 180.45 122.78 -7.13 181.60 123.76 -7.35 2 0 24.36-999 ?-999 ?-999 ? O6 GUN B 210 mGLY.B 120 181.00 121.00 -5.58 180.63 121.66 -4.93 182.91 119.82 -4.63 183.47 118.85 -4.10 181.52 119.69 -5.21-999.99-999.99-999.99 1 0 23.95-999 ?-999 ?-999 ? O6 GUN B 210 mGLN.B 121 183.48 121.01 -4.73 182.92 121.70 -5.20 184.82 121.15 -2.69 183.85 121.51 -2.02 184.82 121.29 -4.21 185.26 122.70 -4.59 2 0 24.36-999 ?-999 ?-999 ? O6 GUN B 210 mVAL^B 122 185.92 120.65 -2.15 186.63 120.41 -2.81 187.27 121.22 -0.19 188.39 121.04 -0.68 186.06 120.47 -0.71 186.19 118.98 -0.34 3 0 22.81-999 ?-999 ?-999 ? O6 GUN B 210 mLYS^B 123 187.05 122.08 0.79 186.09 122.14 1.07 188.13 122.61 2.90 187.07 122.48 3.52 188.11 122.86 1.40 187.91 124.36 1.13 2 0 21.09-999 ?-999 ?-999 ? O1 EDO B 305 mSER^B 124 189.32 122.52 3.47 190.10 122.64 2.85 190.57 123.13 5.49 191.62 123.31 4.87 189.46 122.27 4.90 189.74 120.79 5.15 2 0 18.59-999 ?-999 ?-999 ? O1 EDO B 305 mPHE^B 125 190.34 123.67 6.68 189.45 123.45 7.07 191.18 124.49 8.84 190.10 124.20 9.36 191.33 124.52 7.32 191.19 125.96 6.82 3 0 14.84-999 ?-999 ?-999 ? O1 EDO B 305 mLYS^B 126 192.26 124.78 9.54 193.07 125.01 8.99 192.05 126.14 11.61 192.47 127.16 11.07 192.25 124.77 10.99 193.54 124.14 11.52 2 0 12.36-999 ?-999 ?-999 ? O1 EDO B 305 mVAL^B 127 191.38 126.15 12.76 191.10 125.25 13.08 191.87 127.40 14.80 191.88 126.41 15.54 191.10 127.38 13.49 189.59 127.50 13.78 3 0 9.75-999 ?-999 ?-999 ? O1 EDO B 305 mGLY.B 128 192.52 128.52 15.07 192.43 129.23 14.37 193.97 130.04 16.23 193.80 130.77 15.25 193.30 128.68 16.29-999.99-999.99-999.99 1 0 7.02-999 ?-999 ?-999 ? O1 EDO B 305 mPHE.B 129 194.74 130.40 17.26 194.81 129.73 17.99 196.84 131.68 16.74 197.49 132.72 16.64 195.41 131.70 17.27 195.40 132.31 18.68 3 0 -3.51-999 ?-999 ?-999 ? O1 EDO B 305s mASP~B 130 197.34 130.50 16.39 196.71 129.73 16.52 198.65 130.65 14.35 198.80 129.72 13.55 198.69 130.39 15.86 199.25 128.99 16.13 2 0 5.26-999 ?-999 ?-999 ? O1 EDO B 305 mTYR~B 131 198.46 131.90 13.97 198.38 132.56 14.72 199.71 131.99 11.84 199.76 131.97 10.61 198.39 132.26 12.56 198.00 133.73 12.40 3 0 5.29-999 ?-999 ?-999 ? O1 EDO B 305 mLYS~B 132 200.76 131.77 12.61 200.58 131.80 13.60 202.09 130.08 11.48 202.92 129.74 10.63 202.07 131.49 12.04 203.16 131.66 13.11 2 0 8.13-999 ?-999 ?-999 ? O1 EDO B 305 mASN~B 133 201.17 129.25 11.96 200.57 129.66 12.65 199.82 127.63 10.65 199.23 126.55 10.69 201.07 127.87 11.50 201.08 126.91 12.70 2 0 9.97-999 ?-999 ?-999 ? O1 EDO B 305 mGLY~B 134 199.42 128.65 9.90 199.97 129.48 9.98 196.88 128.57 9.65 195.89 128.47 8.93 198.26 128.52 9.02-999.99-999.99-999.99 1 0 10.14-999 ?-999 ?-999 ? O1 EDO B 305 mGLU.B 135 196.80 128.70 10.97 197.68 128.76 11.44 194.88 130.13 11.45 195.59 131.12 11.27 195.50 128.75 11.64 195.65 128.48 13.14 2 0 8.01-999 ?-999 ?-999 ? O1 EDO B 305 mVAL.B 136 193.55 130.21 11.50 193.09 129.33 11.64 191.89 131.69 12.51 191.38 130.72 13.07 192.86 131.49 11.34 192.07 131.56 10.01 3 0 7.18-999 ?-999 ?-999 ? O1 EDO B 305 mSER.B 137 191.64 132.95 12.86 192.11 133.64 12.31 189.46 133.98 13.50 188.63 134.37 14.32 190.73 133.26 13.96 191.46 134.08 15.03 2 0 6.40-999 ?-999 ?-999 ? O1 EDO B 305 mGLN^B 138 189.33 134.18 12.19 190.12 133.87 11.66 187.94 134.07 10.28 188.90 133.82 9.55 188.15 134.80 11.60 188.35 136.28 11.26 2 0 9.55-999 ?-999 ?-999 ? O1 EDO B 305 mTRP^B 139 186.70 133.73 9.96 186.00 133.94 10.64 185.00 133.24 8.28 184.08 133.09 9.09 186.44 133.08 8.68 186.85 131.59 8.71 3 0 12.77-999 ?-999 ?-999 ? O1 EDO B 305 mVAL^B 140 184.80 133.58 7.01 185.64 133.67 6.48 183.15 132.68 5.48 183.91 132.43 4.54 183.48 133.78 6.47 183.40 135.15 5.76 3 0 14.55-999 ?-999 ?-999 ? OXT ACY A 307 mVAL^B 141 182.04 131.99 5.72 181.54 132.28 6.54 180.49 131.49 3.96 179.43 131.88 4.46 181.61 130.93 4.83 181.10 129.70 5.62 3 0 14.98-999 ?-999 ?-999 ? N1 GUN B 210 mPRO.B 142 180.73 131.57 2.64 181.63 131.25 2.37 178.41 131.32 1.81 178.40 130.16 2.21 179.73 132.10 1.71 180.40 131.91 0.35 3 0 16.29-999 ?-999 ?-999 ? N1 GUN B 210 mGLY.B 143 177.31 131.97 1.44 177.44 132.92 1.15 176.00 130.16 0.45 176.71 130.22 -0.56 176.03 131.28 1.48-999.99-999.99-999.99 1 0 14.71-999 ?-999 ?-999 ? N1 GUN B 210 mGLY.B 144 175.18 129.14 0.69 174.66 129.21 1.54 176.18 126.99 -0.08 176.19 125.97 -0.77 175.09 128.03 -0.24-999.99-999.99-999.99 1 0 15.57-999 ?-999 ?-999 ? O6 GUN B 210 mVAL.B 145 177.11 127.23 0.84 176.98 128.09 1.34 177.98 125.44 2.31 177.77 125.96 3.41 178.21 126.31 1.08 179.53 127.07 1.28 3 0 15.57-999 ?-999 ?-999 ? O6 GUN B 210 mPHE^B 146 177.99 124.12 2.13 178.14 123.81 1.19 179.04 123.29 4.14 180.17 123.23 3.65 177.80 123.22 3.27 177.58 121.78 2.81 3 0 14.10-999 ?-999 ?-999 ? O6 GUN B 210 mLYS^B 147 178.83 123.43 5.45 177.87 123.46 5.73 179.80 122.58 7.54 178.70 122.38 8.06 179.96 123.51 6.36 180.13 124.95 6.87 2 0 13.03-999 ?-999 ?-999 ? O6 GUN B 210 mALA^B 148 180.92 122.00 7.96 181.73 122.25 7.42 182.23 121.44 9.84 183.15 122.03 9.28 180.96 121.10 9.08 181.01 119.65 8.60 2 0 13.27-999 ?-999 ?-999 ? O6 GUN B 210 mSER^B 149 182.26 121.11 11.12 181.44 120.65 11.46 183.59 120.28 12.94 182.63 119.61 13.29 183.43 121.39 11.93 183.25 122.73 12.65 2 0 14.29-999 ?-999 ?-999 ? O6 GUN B 210 mPHE^B 150 184.82 120.07 13.39 185.52 120.65 12.98 186.14 119.55 15.33 187.00 120.36 14.96 185.07 119.05 14.39 185.46 117.70 13.77 3 0 16.58-999 ?-999 ?-999 ? O6 GUN B 210 mLEU^B 151 186.07 119.08 16.57 185.32 118.43 16.72 188.42 118.97 17.41 188.63 117.84 16.96 187.00 119.48 17.61 186.48 118.98 18.96 3 0 15.67-999 ?-999 ?-999 ? C1 EDO A 304 mLEU.B 152 189.38 119.82 17.73 189.06 120.72 18.03 191.29 119.39 19.08 190.94 120.24 19.90 190.79 119.45 17.65 191.60 120.49 16.87 3 0 16.51-999 ?-999 ?-999 ? C1 EDO A 304 mPRO.B 153 192.10 118.38 19.41 192.32 117.73 18.69 193.37 119.57 21.16 194.12 120.11 20.34 192.59 118.31 20.79 193.48 117.06 20.78 3 0 16.15-999 ?-999 ?-999 ? O1 EDO A 304 mASN~B 154 193.16 120.04 22.39 192.50 119.51 22.92 193.63 121.32 24.40 192.50 121.47 24.87 193.85 121.23 22.90 193.33 122.51 22.21 2 0 13.52-999 ?-999 ?-999 ? O1 EDO A 304 mGLU~B 155 194.71 121.23 25.16 195.57 121.12 24.66 194.39 122.70 27.15 194.01 122.88 28.31 194.62 121.29 26.62 195.88 120.69 27.24 2 0 12.77-999 ?-999 ?-999 ? O1 EDO A 304 mGLU~B 156 194.59 123.69 26.29 194.87 123.39 25.38 192.97 125.38 27.13 192.75 126.07 28.13 194.40 125.09 26.67 194.73 125.99 25.48 2 0 10.01-999 ?-999 ?-999 ? O1 EDO A 304 mPHE~B 157 191.99 124.86 26.40 192.30 124.31 25.62 189.92 123.75 27.09 188.75 123.53 26.79 190.59 125.07 26.73 189.88 125.73 25.54 3 0 7.43-999 ?-999 ?-999 ? O1 EDO A 304 mASP~B 158 190.69 122.87 27.74 191.62 123.19 27.90 189.49 120.83 27.02 188.43 120.25 27.21 190.21 121.57 28.16 189.28 121.74 29.37 2 0 10.10-999 ?-999 ?-999 ? O1 EDO A 304 mASN.B 159 190.10 120.88 25.84 190.95 121.40 25.85 188.18 120.77 24.25 187.28 120.01 23.90 189.56 120.24 24.65 189.51 118.72 24.84 2 0 11.89-999 ?-999 ?-999 ? O1 EDO A 304 mGLY.B 160 188.05 122.09 24.32 188.85 122.58 24.66 187.12 123.60 22.73 188.28 123.82 22.40 186.81 122.73 23.94-999.99-999.99-999.99 1 0 9.37-999 ?-999 ?-999 ? C1 EDO A 304 mPHE^B 161 186.07 124.08 22.07 185.19 123.82 22.45 185.06 125.90 20.86 183.97 125.55 20.41 186.23 124.93 20.89 186.24 124.05 19.63 3 0 9.47-999 ?-999 ?-999 ? C1 EDO A 304 mLEU^B 162 185.29 127.11 21.35 186.24 127.25 21.66 184.39 129.26 20.41 185.44 129.89 20.30 184.26 128.14 21.43 184.25 128.76 22.83 3 0 7.35-999 ?-999 ?-999 ? C1 EDO A 304 mILE^B 163 183.31 129.51 19.67 182.53 128.92 19.86 182.00 131.37 18.77 181.06 130.98 19.47 183.30 130.58 18.69 183.41 130.04 17.24 3 0 9.65-999 ?-999 ?-999 ? C1 EDO A 304 mSER^B 164 181.98 132.48 18.05 182.85 132.69 17.60 180.50 133.31 16.44 181.43 133.31 15.63 180.79 133.31 17.93 181.06 134.74 18.40 2 0 10.29-999 ?-999 ?-999 ? N2 GUN B 210 mGLU^B 165 179.22 133.27 16.08 178.58 133.23 16.84 177.82 134.45 14.49 176.92 134.62 15.31 178.82 133.30 14.68 178.13 132.00 14.27 2 0 8.09-999 ?-999 ?-999 ? N2 GUN B 210 mVAL^B 166 178.00 135.23 13.43 178.79 135.00 12.87 176.52 136.11 11.75 177.28 136.03 10.78 177.08 136.33 13.15 177.80 137.70 13.21 3 0 7.88-999 ?-999 ?-999 ? N2 GUN B 210 mVAL^B 167 175.20 135.99 11.66 174.73 136.06 12.54 173.83 137.08 9.98 173.13 137.70 10.78 174.52 135.78 10.39 173.45 134.67 10.49 3 0 7.29-999 ?-999 ?-999 ? N2 GUN B 210 mVAL.B 168 174.03 137.49 8.73 174.61 136.87 8.20 172.97 138.44 6.76 173.78 138.09 5.90 173.45 138.71 8.18 174.50 139.85 8.10 3 0 10.19-999 ?-999 ?-999 ? N2 GUN B 210 mPRO.B 169 171.65 138.54 6.50 171.46 138.35 5.54 170.49 137.85 8.55 171.03 136.75 8.41 170.58 138.90 7.44 169.34 138.91 6.55 3 0 8.21-999 ?-999 ?-999 ? O1 EDO B 301 mGLY.B 170 169.80 138.18 9.63 169.39 139.09 9.62 169.16 135.87 10.40 168.35 135.69 9.48 169.68 137.25 10.74-999.99-999.99-999.99 1 0 6.00-999 ?-999 ?-999 ? O1 EDO B 301 mPHE.B 171 169.61 134.88 11.17 170.24 135.19 11.88 167.72 133.28 10.98 166.99 133.82 11.81 169.22 133.49 10.98 169.82 132.62 12.09 3 0 5.00-999 ?-999 ?-999 ? N2 GUN B 210s mASP~B 172 167.26 132.46 10.03 167.97 132.12 9.42 165.82 130.67 9.37 166.55 130.33 8.44 165.85 132.10 9.91 165.13 133.05 8.95 2 0 3.20-999 ?-999 ?-999 ? O1 EDO B 302s mPHE~B 173 164.99 129.81 9.97 164.44 130.20 10.71 164.62 128.26 8.03 165.03 127.28 7.43 164.91 128.42 9.52 163.86 127.65 10.33 3 0 3.95-999 ?-999 ?-999 ? O1 EDO B 302s mGLU~B 174 163.91 129.23 7.45 163.65 129.97 8.06 164.82 129.22 5.14 164.78 128.82 3.97 163.58 129.17 6.03 162.67 130.34 5.63 2 0 6.66-999 ?-999 ?-999 ? O1 EDO B 302 mASP.B 175 165.93 129.70 5.70 165.83 129.97 6.65 168.19 128.76 5.28 169.28 128.74 4.71 167.16 129.83 4.93 167.79 131.20 5.18 2 0 8.13-999 ?-999 ?-999 ? O1 EDO B 302 mHIS^B 176 167.83 127.86 6.18 166.89 127.97 6.51 168.48 125.45 6.01 167.34 125.07 5.77 168.73 126.81 6.66 168.58 126.68 8.18 3 0 8.38-999 ?-999 ?-999 ? O6 GUN B 210 mTHR^B 177 169.55 124.71 5.76 170.42 125.14 6.01 170.54 122.46 5.67 171.73 122.73 5.52 169.46 123.39 5.15 169.62 123.46 3.61 2 0 10.55-999 ?-999 ?-999 ? O6 GUN B 210 mPHE^B 178 170.14 121.36 6.30 169.15 121.26 6.39 171.23 119.25 5.81 170.25 118.86 5.18 171.11 120.40 6.81 170.70 119.86 8.19 3 0 10.68-999 ?-999 ?-999 ? O6 GUN B 210 mLEU.B 179 172.45 118.73 5.64 173.15 119.15 6.21 172.16 116.32 5.26 172.29 116.05 6.45 172.69 117.64 4.70 174.19 117.54 4.41 3 0 14.22-999 ?-999 ?-999 ? O6 GUN B 210 mLYS~B 180 171.56 115.51 4.39 171.53 115.86 3.45 171.90 113.02 4.47 171.90 112.53 3.34 171.01 114.22 4.80 169.63 114.01 4.16 2 0 16.63-999 ?-999 ?-999 ? O6 GUN B 210 mGLY~B 181 172.64 112.55 5.47 172.54 113.05 6.33 174.41 111.36 4.09 174.42 112.28 3.27 173.51 111.39 5.30-999.99-999.99-999.99 1 0 18.90-999 ?-999 ?-999 ? O6 GUN B 210 mGLU~B 182 175.18 110.28 3.98 175.07 109.62 4.72 175.41 110.16 1.52 176.00 110.55 0.52 176.11 110.09 2.87 176.82 108.74 2.99 2 0 21.76-999 ?-999 ?-999 ? O6 GUN B 210 mASP~B 183 174.14 109.77 1.51 173.79 109.48 2.40 173.56 111.06 -0.50 174.19 111.05 -1.56 173.34 109.78 0.29 171.85 109.64 0.65 2 0 23.04-999 ?-999 ?-999 ? O6 GUN B 210 mGLU~B 184 173.04 112.17 0.01 172.56 112.03 0.88 174.64 113.89 -0.74 175.05 114.55 -1.70 173.18 113.47 -0.64 172.39 114.53 0.13 2 0 20.98-999 ?-999 ?-999 ? O6 GUN B 210 mLEU~B 185 175.43 113.52 0.26 174.97 112.98 0.97 177.57 113.23 -0.90 178.40 113.87 -1.55 176.85 113.86 0.29 177.47 113.36 1.61 3 0 20.79-999 ?-999 ?-999 ? O6 GUN B 210 mLYS~B 186 177.26 111.97 -1.17 176.57 111.58 -0.56 177.60 111.89 -3.62 178.42 111.80 -4.53 177.87 111.24 -2.27 177.35 109.79 -2.30 2 0 24.60-999 ?-999 ?-999 ? O6 GUN B 210 mHIS~B 187 176.45 112.55 -3.74 175.88 112.55 -2.92 176.84 114.52 -5.18 177.02 114.98 -6.31 176.09 113.21 -4.99 174.58 113.45 -5.03 3 0 24.95-999 ?-999 ?-999 ? O6 GUN B 210 mLEU~B 188 177.27 115.12 -4.08 177.04 114.64 -3.23 179.48 116.15 -4.41 180.07 116.82 -5.26 178.01 116.38 -4.12 177.86 117.14 -2.80 3 0 23.06-999 ?-999 ?-999 ? O6 GUN B 210 mVAL~B 189 180.08 115.22 -3.68 179.48 114.76 -3.02 181.65 113.45 -4.30 180.69 112.68 -4.28 181.49 114.90 -3.86 182.27 115.13 -2.54 3 0 24.88-999 ?-999 ?-999 ? O6 GUN B 210 mGLY.B 190 182.86 113.08 -4.71 183.56 113.79 -4.69 182.54 110.69 -4.17 182.43 110.99 -2.98 183.10 111.71 -5.15-999.99-999.99-999.99 1 0 28.22-999 ?-999 ?-999 ? O6 GUN B 210 mPRO.B 191 182.19 109.49 -4.64 182.32 109.36 -5.62 182.69 108.04 -2.70 182.35 107.61 -1.60 181.65 108.46 -3.74 181.30 107.32 -4.70 3 0 28.69-999 ?-999 ?-999 ? O6 GUN B 210 mGLU~B 192 183.96 108.20 -3.06 184.08 108.57 -3.98 185.25 108.91 -1.09 185.50 108.59 0.07 185.06 107.85 -2.17 186.35 107.70 -2.97 2 0 29.60-999 ?-999 ?-999 ? O6 GUN B 210 mLYS~B 193 185.12 110.18 -1.48 184.92 110.29 -2.45 184.17 111.27 0.49 184.39 111.58 1.66 185.28 111.29 -0.55 185.25 112.61 -1.31 2 0 26.59-999 ?-999 ?-999 ? O6 GUN B 210 mALA~B 194 182.96 110.90 0.06 182.93 110.68 -0.92 182.08 109.84 2.07 181.49 109.94 3.15 181.81 110.83 0.95 180.57 110.42 0.16 2 0 24.29-999 ?-999 ?-999 ? O6 GUN B 210 mALA~B 195 182.96 108.89 1.81 183.36 108.93 0.89 184.27 108.47 3.82 184.26 108.08 4.99 183.32 107.88 2.79 183.96 106.68 2.11 2 0 26.18-999 ?-999 ?-999 ? O6 GUN B 210 mGLU~B 196 185.09 109.42 3.38 184.99 109.64 2.41 185.39 111.17 5.12 185.82 111.42 6.25 186.04 110.08 4.27 187.19 110.69 3.47 2 0 25.42-999 ?-999 ?-999 ? O6 GUN B 210 mLEU~B 197 184.37 111.81 4.57 184.13 111.50 3.65 182.34 112.40 5.86 181.56 113.20 6.38 183.67 112.88 5.28 183.43 114.06 4.34 3 0 21.66-999 ?-999 ?-999 ? O6 GUN B 210 mALA~B 198 182.09 111.10 5.76 182.82 110.58 5.32 180.57 110.80 7.72 179.41 110.94 8.12 180.85 110.51 6.24 180.87 109.00 6.01 2 0 21.51-999 ?-999 ?-999 ? O6 GUN B 210 mPHE~B 199 181.62 110.90 8.52 182.50 110.78 8.07 181.01 112.58 10.26 180.70 112.90 11.41 181.46 111.15 9.95 182.77 110.84 10.68 3 0 20.12-999 ?-999 ?-999 ? O6 GUN B 210 mLEU~B 200 180.97 113.43 9.24 181.24 113.03 8.36 179.15 115.07 8.90 178.66 116.20 8.95 180.57 114.82 9.42 181.54 115.75 8.69 3 0 16.88-999 ?-999 ?-999 ? O6 GUN B 210 mALA~B 201 178.51 114.02 8.40 179.02 113.17 8.42 176.18 113.21 8.56 176.56 112.45 9.45 177.15 114.15 7.87 177.16 113.90 6.37 2 0 16.33-999 ?-999 ?-999 ? O6 GUN B 210 mHIS.B 202 174.92 113.26 8.13 174.77 113.93 7.40 173.61 112.75 10.14 172.86 113.68 10.44 173.88 112.41 8.68 174.28 110.94 8.54 3 0 16.59-999 ?-999 ?-999 ? O6 GUN B 210 mALA.C 9 177.10 134.24 39.73 176.68 134.21 38.82 176.71 133.79 42.12 175.83 134.55 42.55 177.72 134.29 41.08 178.16 135.71 41.42 2 0 13.70-999 ?-999 ?-999 ? O2 EDO A 304 mASN.C 10 176.84 132.53 42.51 177.60 132.05 42.08 175.62 132.72 44.72 176.51 133.07 45.49 175.93 131.91 43.47 176.47 130.55 43.92 2 0 16.65-999 ?-999 ?-999 ? O2 EDO A 304 mALA.C 11 174.33 133.01 44.90 173.72 132.68 44.18 173.94 132.77 47.24 173.55 131.61 47.12 173.88 133.74 46.07 172.45 134.22 45.86 2 0 19.91-999 ?-999 ?-999 ? O2 EDO A 304 mALA.C 12 174.43 133.25 48.38 174.74 134.20 48.35 173.06 132.06 49.96 172.15 132.86 49.78 174.49 132.40 49.56 175.20 133.14 50.71 2 0 22.65-999 ?-999 ?-999 ? O2 EDO A 304 mILE.C 13 172.87 130.85 50.49 173.71 130.31 50.56 171.44 130.62 52.41 172.01 129.87 53.21 171.56 130.39 50.91 171.38 128.89 50.54 3 0 22.79-999 ?-999 ?-999 ? C8 GUN C 210 mGLU.C 14 170.72 131.67 52.79 170.32 132.18 52.03 169.06 132.32 54.48 168.66 133.46 54.68 170.54 132.04 54.19 171.38 133.29 54.50 2 0 24.64-999 ?-999 ?-999 ? C8 GUN C 210 mPRO.C 15 168.24 131.26 54.49 168.69 130.39 54.31 166.47 132.17 56.02 167.13 132.00 57.05 166.80 131.39 54.75 166.32 129.94 54.79 3 0 22.45-999 ?-999 ?-999 ? C8 GUN C 210 mALA~C 16 165.46 133.02 55.94 165.01 133.05 55.04 164.12 133.07 58.01 163.91 131.87 57.83 165.05 133.84 57.07 164.36 135.11 56.59 2 0 24.42-999 ?-999 ?-999 ? C8 GUN C 210 mSER~C 17 163.57 133.77 59.00 163.81 134.74 58.98 161.56 132.31 59.46 161.43 131.14 59.83 162.70 133.16 60.00 162.14 134.24 60.94 2 0 25.51-999 ?-999 ?-999 ? C8 GUN C 210 mPHE~C 18 160.74 132.88 58.58 160.96 133.83 58.36 160.00 130.86 57.29 159.31 129.84 57.40 159.61 132.15 58.01 158.81 133.04 57.05 3 0 22.49-999 ?-999 ?-999 ? C8 GUN C 210 mVAL~C 19 161.10 130.90 56.53 161.57 131.78 56.51 161.98 128.63 56.80 161.75 127.44 56.59 161.53 129.70 55.81 162.69 130.00 54.83 3 0 20.13-999 ?-999 ?-999 ? C8 GUN C 210 mLYS~C 20 162.62 129.06 57.89 162.75 130.05 57.95 161.90 127.64 59.74 161.76 126.46 60.03 163.08 128.11 58.90 164.16 128.75 59.78 2 0 22.83-999 ?-999 ?-999 ? C8 GUN C 210 mVAL~C 21 161.04 128.58 60.12 161.27 129.50 59.80 158.64 128.95 60.35 158.33 130.10 60.68 159.87 128.26 60.94 160.07 128.73 62.39 3 0 23.73-999 ?-999 ?-999 ? C8 GUN C 210 mPRO.C 22 157.93 128.26 59.45 158.29 127.34 59.27 155.58 129.18 59.72 155.37 128.59 60.78 156.73 128.80 58.80 156.34 127.69 57.81 3 0 21.35-999 ?-999 ?-999 ? C8 GUN C 210 mMET.C 23 154.84 130.20 59.29 155.16 130.59 58.43 152.62 129.62 59.89 152.63 128.84 58.94 153.68 130.71 60.01 153.23 132.00 59.33 2 0 23.00-999 ?-999 ?-999 ? N7 GUN C 210 mPRO.C 24 151.70 129.53 60.87 151.78 130.19 61.61 149.67 128.71 59.63 149.25 127.76 58.98 150.66 128.50 60.78 149.99 128.56 62.16 3 0 23.03-999 ?-999 ?-999 ? N7 GUN C 210 mGLU.C 25 149.30 129.96 59.39 149.71 130.64 60.00 148.89 131.54 57.61 149.65 132.31 58.18 148.37 130.30 58.32 146.97 130.58 58.88 2 0 21.84-999 ?-999 ?-999 ? N7 GUN C 210 mPRO.C 26 148.48 131.75 56.35 147.86 131.07 55.95 148.40 134.22 56.23 147.32 134.22 56.83 148.97 132.94 55.66 148.55 132.71 54.21 3 0 20.81-999 ?-999 ?-999 ? N7 GUN C 210 mPRO~C 27 149.12 135.34 56.08 149.99 135.23 55.61 147.40 137.05 55.80 147.26 136.72 54.62 148.63 136.62 56.59 149.82 137.56 56.39 3 0 23.86-999 ?-999 ?-999 ? N7 GUN C 210 mSER~C 28 146.49 137.77 56.46 146.75 137.96 57.41 145.29 138.57 54.37 144.52 138.01 53.58 145.25 138.23 55.86 144.71 139.44 56.63 2 0 25.30-999 ?-999 ?-999 ? N7 GUN C 210 mSER~C 29 146.16 139.50 53.98 146.73 139.87 54.71 146.45 138.73 51.65 145.79 138.62 50.62 146.25 139.91 52.59 147.38 140.92 52.39 2 0 24.11-999 ?-999 ?-999 ? C4 GUN C 210 mLEU~C 30 147.38 137.84 52.01 147.84 138.04 52.87 146.55 135.63 51.23 146.28 134.95 50.23 147.66 136.68 51.17 149.01 136.07 51.58 3 0 20.51-999 ?-999 ?-999 ? C5 GUN C 210 mGLN~C 31 145.91 135.49 52.38 146.22 136.08 53.12 143.66 134.93 51.59 143.02 134.08 50.97 144.82 134.52 52.50 144.33 134.43 53.96 2 0 20.53-999 ?-999 ?-999 ? O6 GUN C 210 mGLN~C 32 143.41 136.24 51.51 144.00 136.82 52.06 142.64 136.47 49.20 141.76 136.10 48.42 142.33 136.73 50.66 142.12 138.24 50.85 2 0 21.73-999 ?-999 ?-999 ? N1 GUN C 210 mLEU~C 33 143.90 136.66 48.82 144.52 136.97 49.55 144.14 134.95 47.12 143.63 134.59 46.05 144.32 136.43 47.45 145.79 136.83 47.27 3 0 18.84-999 ?-999 ?-999 ? N2 GUN C 210 mILE~C 34 144.54 134.10 48.05 144.92 134.53 48.86 142.95 132.25 47.69 142.62 131.45 46.81 144.42 132.66 47.87 145.06 131.92 49.07 3 0 16.42-999 ?-999 ?-999 ? N1 GUN C 210 mASN~C 35 142.07 132.81 48.52 142.46 133.46 49.17 140.01 133.04 47.16 139.29 132.34 46.45 140.66 132.48 48.42 139.89 132.98 49.65 2 0 18.30-999 ?-999 ?-999 ? O6 GUN C 210 mASP~C 36 140.27 134.31 46.87 140.89 134.77 47.51 140.12 134.36 44.37 139.33 134.30 43.43 139.69 134.96 45.70 140.02 136.46 45.70 2 0 18.83-999 ?-999 ?-999 ? N2 GUN C 210 mTRP~C 37 141.37 133.91 44.29 141.90 134.01 45.13 141.77 131.80 43.03 142.08 131.17 42.02 141.89 133.32 43.06 143.36 133.70 42.87 3 0 15.15-999 ?-999 ?-999 ? N2 GUN C 210 mGLN~C 38 141.33 131.22 44.14 141.11 131.87 44.87 142.53 129.06 44.08 142.64 128.07 43.35 141.19 129.78 44.26 140.16 129.26 43.24 2 0 14.09-999 ?-999 ?-999 ? N1 GUN C 210 mLEU.C 39 143.56 129.58 44.75 143.36 130.40 45.28 144.86 127.80 45.67 144.30 127.91 46.76 144.88 128.95 44.68 145.98 129.94 45.06 3 0 11.78-999 ?-999 ?-999 ? N1 GUN C 210 mILE^C 40 145.47 126.69 45.28 145.89 126.74 44.37 146.93 125.21 46.54 147.86 125.41 45.76 145.50 125.51 46.13 144.92 124.28 45.38 3 0 10.20-999 ?-999 ?-999 ? O6 GUN C 210 mLYS^C 41 147.12 124.72 47.76 146.29 124.61 48.31 149.00 123.22 47.41 148.36 122.17 47.32 148.46 124.39 48.23 148.44 124.03 49.72 2 0 10.45-999 ?-999 ?-999 ? O6 GUN C 210 mHIS.C 42 150.17 123.41 46.82 150.57 124.31 47.00 151.51 121.34 46.85 151.91 121.60 47.99 150.81 122.39 46.00 151.84 123.04 45.07 3 0 -7.39-999 ?-999 ?-999 ? N7 GUN C 210s mARG.C 43 151.65 120.14 46.29 151.27 120.08 45.36 153.75 119.37 47.31 154.26 118.99 48.36 152.30 119.03 46.98 152.25 117.77 46.10 2 0 8.10-999 ?-999 ?-999 ? N7 GUN C 210 mGLU.C 44 154.40 120.08 46.40 153.87 120.32 45.59 155.93 121.75 47.42 157.04 122.24 47.63 155.80 120.47 46.60 156.51 120.65 45.26 2 0 7.87-999 ?-999 ?-999 ? N7 GUN C 210 mGLY.C 45 154.81 122.28 47.89 153.97 121.78 47.66 154.36 124.68 47.83 154.42 124.62 46.61 154.83 123.50 48.67-999.99-999.99-999.99 1 0 9.96-999 ?-999 ?-999 ? N7 GUN C 210 mGLY.C 46 153.89 125.73 48.49 153.90 125.66 49.48 151.96 126.73 47.33 151.38 125.65 47.49 153.41 126.90 47.76-999.99-999.99-999.99 1 0 10.40-999 ?-999 ?-999 ? C8 GUN C 210 mTYR^C 47 151.38 127.80 46.80 151.96 128.61 46.75 150.03 127.97 44.83 150.84 128.75 44.33 150.00 127.76 46.33 149.18 128.86 46.99 3 0 10.38-999 ?-999 ?-999 ? N7 GUN C 210 mPHE^C 48 149.15 127.29 44.10 148.51 126.71 44.62 147.80 127.22 42.00 146.83 126.78 42.62 149.15 127.43 42.66 150.15 126.43 42.04 3 0 8.02-999 ?-999 ?-999 ? C6 GUN C 210 mLYS^C 49 147.76 127.54 40.71 148.62 127.91 40.35 146.95 127.43 38.44 147.64 128.37 38.02 146.57 127.36 39.91 145.53 128.44 40.22 2 0 7.12-999 ?-999 ?-999 ? N2 GUN C 210 mGLU^C 50 146.53 126.43 37.68 146.04 125.71 38.17 145.69 127.31 35.67 144.50 126.99 35.75 146.77 126.41 36.24 146.64 125.00 35.67 2 0 -4.72-999 ?-999 ?-999 ? N2 GUN C 210s mTHR^C 51 146.10 128.44 35.09 147.09 128.55 35.06 144.97 129.35 33.05 144.06 129.98 32.52 145.15 129.40 34.56 145.58 130.83 34.94 2 0 7.97-999 ?-999 ?-999 ? N2 GUN C 210 mASP^C 52 145.84 128.61 32.36 146.56 128.19 32.91 146.42 127.23 30.41 147.55 126.93 30.80 145.71 128.48 30.92 146.27 129.71 30.19 2 0 8.15-999 ?-999 ?-999 ? N2 GUN C 210 mARG^C 53 145.73 126.50 29.55 144.80 126.83 29.38 145.90 125.49 27.47 144.72 125.46 27.11 146.28 125.30 28.93 145.66 124.03 29.51 2 0 -7.74-999 ?-999 ?-999 ? N2 GUN C 210s mSER.C 54 146.90 125.72 26.62 147.82 125.71 27.03 145.76 124.90 24.57 146.00 123.70 24.74 146.62 125.97 25.22 147.92 126.09 24.42 2 0 11.04-999 ?-999 ?-999 ? N2 GUN C 210 mPRO.C 55 144.73 125.31 23.81 144.62 126.30 23.75 144.56 123.78 21.91 144.10 122.79 21.33 143.86 124.34 23.15 142.62 125.17 22.80 3 0 13.74-999 ?-999 ?-999 ? N2 GUN C 210 mTYR.C 56 145.66 124.41 21.52 145.90 125.20 22.08 147.43 122.89 20.83 147.88 122.91 21.98 146.45 123.96 20.37 147.17 125.14 19.73 3 0 -15.41-999 ?-999 ?-999 ? N2 GUN C 210s mTHR^C 57 147.74 121.95 19.95 147.34 122.06 19.05 149.85 120.70 19.48 150.01 121.36 18.45 148.61 120.85 20.33 147.85 119.51 20.26 2 0 13.74-999 ?-999 ?-999 ? C1 EDO C 303 mMET^C 58 150.73 119.81 19.92 150.48 119.37 20.78 152.34 118.08 19.52 152.01 117.56 20.59 151.96 119.51 19.20 153.08 120.48 19.62 2 0 11.27-999 ?-999 ?-999 ? C1 EDO C 303 mGLU^C 59 153.01 117.42 18.58 153.18 117.96 17.75 154.88 116.05 19.22 155.73 116.71 18.63 153.44 116.05 18.75 153.31 115.29 17.43 2 0 11.31-999 ?-999 ?-999 ? C1 EDO C 303 mVAL^C 60 155.16 115.30 20.29 154.38 114.80 20.66 157.06 113.83 20.85 156.35 112.87 21.16 156.51 115.25 20.85 156.52 115.77 22.30 3 0 8.45-999 ?-999 ?-999 ? O1 EDO C 303 mGLU.C 61 158.34 113.71 20.51 158.79 114.58 20.29 159.58 112.11 21.86 160.45 112.83 22.35 159.02 112.42 20.47 160.15 112.46 19.44 2 0 9.45-999 ?-999 ?-999 ? O1 EDO C 303 mLYS.C 62 159.08 111.05 22.49 158.38 110.56 21.98 160.09 109.25 23.84 159.75 108.44 22.98 159.55 110.68 23.82 158.42 110.82 24.84 2 0 9.55-999 ?-999 ?-999 ? O1 EDO C 303 mGLU.C 72 158.15 107.12 21.36 158.96 107.03 21.93 156.61 108.71 20.34 157.31 109.60 20.84 156.96 107.24 20.52 155.77 106.55 21.17 2 0 14.39-999 ?-999 ?-999 ? O1 EDO C 303 mMET.C 73 155.53 108.96 19.61 155.09 108.14 19.24 153.83 110.51 20.28 152.87 109.75 20.21 155.04 110.31 19.38 154.60 110.48 17.92 2 0 13.21-999 ?-999 ?-999 ? O1 EDO C 303 mVAL^C 74 153.89 111.52 21.15 154.74 112.05 21.12 152.31 113.24 21.86 153.08 114.12 21.50 152.78 111.81 22.05 153.17 111.59 23.52 3 0 12.51-999 ?-999 ?-999 ? O1 EDO C 303 mTHR^C 75 151.02 113.45 22.11 150.51 112.64 22.39 150.51 115.55 23.28 150.34 114.99 24.36 150.42 114.77 21.97 148.95 114.65 21.55 2 0 12.88-999 ?-999 ?-999 ? O1 EDO C 303 mARG^C 76 150.78 116.84 23.17 150.91 117.16 22.23 150.21 119.02 23.96 150.15 119.37 22.78 150.88 117.71 24.34 152.35 117.99 24.67 2 0 11.08-999 ?-999 ?-999 ? O1 EDO C 303 mASN^C 77 149.69 119.74 24.95 149.73 119.32 25.86 150.37 121.88 24.41 151.42 121.60 24.98 149.12 121.04 24.67 148.35 121.58 25.88 2 0 -10.92-999 ?-999 ?-999 ? N2 GUN C 210s mGLN.C 78 150.27 122.89 23.54 149.37 123.03 23.14 152.05 124.42 24.45 153.26 124.67 24.49 151.45 123.69 23.24 151.14 124.69 22.11 2 0 10.04-999 ?-999 ?-999 ? O2 EDO C 303 mSER.C 79 151.22 124.73 25.44 150.27 124.46 25.31 150.75 125.42 27.78 149.54 125.19 27.59 151.72 125.43 26.62 152.02 126.90 26.28 2 0 9.11-999 ?-999 ?-999 ? N2 GUN C 210 mTHR^C 80 151.28 125.65 28.98 152.27 125.73 28.98 150.99 126.98 30.95 152.17 127.32 30.88 150.46 125.77 30.18 150.51 124.51 31.09 2 0 5.74-999 ?-999 ?-999 ? N2 GUN C 210 mLEU^C 81 150.08 127.64 31.66 149.16 127.27 31.60 149.87 128.63 33.86 148.74 128.18 34.02 150.43 128.81 32.46 149.81 130.07 31.84 3 0 6.28-999 ?-999 ?-999 ? N2 GUN C 210 mILE^C 82 150.68 128.95 34.87 151.60 129.23 34.61 150.65 130.10 37.03 151.57 130.81 36.62 150.20 128.87 36.25 150.77 127.66 37.06 3 0 -5.72-999 ?-999 ?-999 ? N2 GUN C 210s mTYR^C 83 149.95 130.35 38.13 149.16 129.76 38.25 150.97 130.49 40.13 150.46 129.40 40.39 150.32 131.39 39.08 149.08 132.04 39.73 3 0 8.98-999 ?-999 ?-999 ? N3 GUN C 210 mTYR^C 84 152.08 130.92 40.71 152.43 131.79 40.38 153.07 131.10 42.86 153.77 132.09 42.63 152.72 130.13 41.76 153.97 129.42 41.24 3 0 8.70-999 ?-999 ?-999 ? N9 GUN C 210 mLEU^C 85 152.59 130.82 44.07 152.10 129.95 44.11 153.38 131.09 46.46 152.89 130.07 46.94 152.77 131.71 45.21 151.41 132.32 45.59 3 0 11.89-999 ?-999 ?-999 ? N9 GUN C 210 mLEU^C 86 154.43 131.71 46.98 154.76 132.49 46.45 154.62 132.27 49.28 154.52 133.46 49.02 155.05 131.26 48.22 156.58 131.22 48.10 3 0 13.44-999 ?-999 ?-999 ? C8 GUN C 210 mTHR.C 87 154.35 131.77 50.49 154.50 130.79 50.57 154.59 132.24 52.89 155.28 131.23 52.95 153.88 132.61 51.59 152.38 132.38 51.81 2 0 16.81-999 ?-999 ?-999 ? C8 GUN C 210 mPRO.C 88 154.40 133.05 53.94 153.80 133.83 53.78 154.67 131.40 55.83 155.44 130.82 56.60 155.05 132.76 55.23 154.61 133.93 56.10 3 0 19.82-999 ?-999 ?-999 ? C8 GUN C 210 mASP.C 89 153.49 130.90 55.47 152.97 131.48 54.84 153.40 128.46 55.03 153.33 127.29 55.40 153.01 129.61 55.97 151.49 129.65 56.13 2 0 18.88-999 ?-999 ?-999 ? N7 GUN C 210 mSER.C 90 153.79 128.80 53.80 153.76 129.78 53.62 155.32 128.53 52.02 155.15 128.83 50.83 154.23 127.80 52.82 153.06 127.40 51.91 2 0 15.28-999 ?-999 ?-999 ? C8 GUN C 210 mPRO.C 91 156.45 128.82 52.68 156.43 128.49 53.62 158.59 128.77 51.24 159.55 129.36 50.75 157.61 129.53 52.13 158.29 130.05 53.39 3 0 15.80-999 ?-999 ?-999 ? C8 GUN C 210 mILE^C 92 158.34 127.49 51.01 157.51 127.14 51.43 158.61 125.91 49.07 157.53 125.34 49.21 159.25 126.69 50.20 160.02 125.68 51.10 3 0 13.38-999 ?-999 ?-999 ? C8 GUN C 210 mGLY^C 93 159.30 125.91 47.93 160.12 126.48 47.94 159.95 124.06 46.70 161.10 124.36 46.37 158.88 125.14 46.78-999.99-999.99-999.99 1 0 9.81-999 ?-999 ?-999 ? C8 GUN C 210 mLYS^C 94 159.58 122.82 47.03 158.61 122.73 47.26 161.06 121.28 45.67 160.39 121.45 44.65 160.53 121.71 47.04 159.89 120.49 47.71 2 0 10.30-999 ?-999 ?-999 ? C8 GUN C 210 mPHE^C 95 162.26 120.71 45.67 162.66 120.63 46.59 162.10 119.34 43.54 161.54 118.33 43.96 162.92 120.24 44.46 164.21 119.48 44.81 3 0 10.39-999 ?-999 ?-999 ? C8 GUN C 210 mHIS^C 96 162.05 119.72 42.26 162.53 120.57 42.07 161.91 119.36 39.89 162.51 120.42 39.76 161.36 118.94 41.25 159.84 119.14 41.31 3 0 7.94-999 ?-999 ?-999 ? C8 GUN C 210 mLYS^C 97 161.74 118.51 38.89 161.25 117.67 39.11 161.24 118.46 36.50 160.30 117.70 36.75 162.24 118.84 37.57 163.58 118.14 37.30 2 0 8.51-999 ?-999 ?-999 ? C8 GUN C 210 mASN^C 98 161.45 119.00 35.31 162.24 119.61 35.26 161.48 118.47 32.99 162.56 119.04 32.89 160.57 118.72 34.18 159.66 119.92 33.90 2 0 8.30-999 ?-999 ?-999 ? N9 GUN C 210 mILE.C 99 161.04 117.60 32.09 160.16 117.18 32.31 161.94 118.57 30.06 162.93 118.78 29.36 161.81 117.30 30.89 161.10 116.23 30.03 3 0 5.71-999 ?-999 ?-999 ? O1 EDO C 303 mASN.C 100 160.92 119.42 30.16 160.21 119.13 30.80 161.36 121.88 30.17 161.30 121.92 31.40 160.87 120.67 29.40 159.43 120.92 28.94 2 0 -3.25-999 ?-999 ?-999 ? O2 EDO C 303s mARG.C 101 161.83 122.88 29.42 161.83 122.69 28.44 161.10 124.92 30.49 160.01 124.80 29.92 162.32 124.13 30.01 163.11 124.94 28.98 2 0 -3.99-999 ?-999 ?-999 ? O2 EDO C 303s mILE^C 102 161.29 125.71 31.53 162.22 125.72 31.89 160.58 127.97 32.22 161.65 128.30 32.75 160.20 126.50 32.08 159.76 125.94 33.46 3 0 6.73-999 ?-999 ?-999 ? O2 EDO C 303 mILE^C 103 159.71 128.82 31.71 158.91 128.38 31.29 159.23 130.78 33.03 158.06 130.47 33.29 159.89 130.27 31.75 159.21 130.94 30.54 3 0 9.32-999 ?-999 ?-999 ? O2 EDO C 303 mHIS^C 104 159.98 131.54 33.82 160.91 131.69 33.49 159.43 133.63 34.96 160.40 134.24 34.52 159.44 132.11 35.06 160.30 131.71 36.27 3 0 11.29-999 ?-999 ?-999 ? N9 GUN C 210 mILE^C 105 158.32 134.23 35.37 157.62 133.61 35.71 157.73 136.22 36.67 156.66 135.87 37.18 158.16 135.68 35.31 157.10 136.07 34.27 3 0 13.98-999 ?-999 ?-999 ? N9 GUN C 210 mLEU^C 106 158.56 137.07 37.26 159.38 137.27 36.73 157.11 138.65 38.48 157.05 139.48 37.57 158.26 137.65 38.57 159.49 138.38 39.12 3 0 15.71-999 ?-999 ?-999 ? N9 GUN C 210 mGLN^C 107 156.19 138.58 39.44 156.33 137.85 40.11 155.07 140.35 40.73 154.93 141.58 40.66 155.07 139.52 39.46 153.75 138.78 39.28 2 0 17.02-999 ?-999 ?-999 ? N3 GUN C 210 mARG^C 108 155.25 139.71 41.88 155.35 138.72 41.80 156.16 139.78 44.20 156.27 138.55 44.27 155.28 140.44 43.15 153.86 140.61 43.72 2 0 18.74-999 ?-999 ?-999 ? N9 GUN C 210 mGLY^C 109 156.79 140.61 45.03 156.64 141.58 44.87 159.05 139.73 45.73 159.58 140.19 44.72 157.62 140.08 46.10-999.99-999.99-999.99 1 0 19.74-999 ?-999 ?-999 ? N9 GUN C 210 mLYS.C 110 159.66 138.90 46.57 159.10 138.61 47.33 161.22 137.01 46.75 160.51 136.50 47.61 161.05 138.48 46.37 161.98 139.34 47.22 2 0 19.40-999 ?-999 ?-999 ? N9 GUN C 210 mGLY^C 111 162.18 136.35 46.10 162.69 136.88 45.43 163.81 134.54 45.95 164.57 135.36 45.43 162.42 134.95 46.39-999.99-999.99-999.99 1 0 17.24-999 ?-999 ?-999 ? N9 GUN C 210 mGLN^C 112 164.15 133.28 46.15 163.45 132.72 46.58 165.36 131.38 45.22 164.65 130.54 45.78 165.47 132.80 45.76 166.43 132.85 46.96 2 0 17.22-999 ?-999 ?-999 ? C8 GUN C 210 mTYR^C 113 166.04 131.13 44.11 166.55 131.91 43.74 167.32 129.05 43.71 168.38 129.64 43.85 166.02 129.81 43.50 165.75 129.92 41.99 3 0 15.01-999 ?-999 ?-999 ? C8 GUN C 210 mVAL^C 114 167.21 127.73 43.77 166.27 127.39 43.71 168.18 125.81 42.84 167.13 125.17 42.78 168.38 126.87 43.91 168.45 126.18 45.29 3 0 15.83-999 ?-999 ?-999 ? C8 GUN C 210 mLEU^C 115 169.18 125.64 41.97 169.96 126.24 42.12 170.15 123.58 41.07 171.29 123.87 41.42 169.09 124.66 40.90 169.29 125.33 39.54 3 0 15.22-999 ?-999 ?-999 ? C8 GUN C 210 mVAL^C 116 169.77 122.34 40.81 168.81 122.24 40.55 170.76 120.53 39.55 169.77 119.94 39.09 170.71 121.23 40.90 170.29 120.22 41.99 3 0 16.53-999 ?-999 ?-999 ? C8 GUN C 210 mTYR.C 117 171.91 120.61 38.90 172.63 121.12 39.39 172.45 118.53 37.69 172.91 118.07 38.72 172.10 120.01 37.59 173.18 120.76 36.82 3 0 15.78-999 ?-999 ?-999 ? O1 EDO C 303 mPRO.C 118 172.22 117.77 36.60 171.83 118.28 35.83 173.93 116.00 36.99 174.18 115.00 37.66 172.50 116.33 36.57 172.23 115.96 35.11 3 0 15.69-999 ?-999 ?-999 ? O1 EDO C 303 mASP.C 119 174.87 116.86 36.58 174.52 117.63 36.05 176.61 117.01 38.35 177.73 116.79 38.80 176.28 116.67 36.90 177.13 117.53 35.97 2 0 18.64-999 ?-999 ?-999 ? O1 EDO C 303 mGLY.C 120 175.64 117.56 39.08 174.78 117.71 38.60 176.12 119.36 40.79 176.16 119.74 41.96 175.88 117.89 40.47-999.99-999.99-999.99 1 0 19.82-999 ?-999 ?-999 ? C2 EDO A 304 mGLN.C 121 176.29 120.18 39.76 176.25 119.76 38.86 175.28 122.24 40.63 174.15 121.91 40.27 176.52 121.60 40.00 176.84 122.32 38.68 2 0 16.84-999 ?-999 ?-999 ? C2 EDO A 304 mVAL^C 122 175.51 123.15 41.57 176.48 123.31 41.76 174.49 125.34 41.94 175.56 125.94 42.00 174.42 123.85 42.24 174.48 123.65 43.77 3 0 18.31-999 ?-999 ?-999 ? C2 EDO A 304 mLYS^C 123 173.34 125.93 41.61 172.56 125.31 41.59 172.18 127.99 42.16 171.14 127.38 42.40 173.26 127.36 41.31 172.91 127.58 39.85 2 0 17.12-999 ?-999 ?-999 ? C2 EDO A 304 mSER^C 124 172.42 129.21 42.62 173.31 129.58 42.38 171.46 131.39 43.06 172.54 131.98 42.91 171.43 129.92 43.42 171.69 129.75 44.92 2 0 19.45-999 ?-999 ?-999 ? C2 EDO A 304 mPHE^C 125 170.29 131.98 42.89 169.50 131.38 43.03 168.92 133.99 43.10 167.94 133.29 43.32 170.19 133.39 42.53 170.23 133.54 41.00 3 0 19.54-999 ?-999 ?-999 ? O2 EDO A 304 mLYS^C 126 168.95 135.30 43.33 169.81 135.75 43.10 166.89 136.58 42.83 167.35 137.02 41.77 167.79 135.98 43.89 168.24 137.07 44.86 2 0 20.14-999 ?-999 ?-999 ? N9 GUN C 210 mVAL^C 127 165.59 136.56 43.12 165.39 136.15 44.02 163.90 138.28 42.88 163.55 138.26 44.07 164.56 137.07 42.24 163.49 135.99 41.96 3 0 18.45-999 ?-999 ?-999 ? N9 GUN C 210 mGLY.C 128 163.73 139.34 42.10 164.05 139.22 41.16 163.26 141.65 41.56 163.84 141.42 40.49 163.13 140.56 42.60-999.99-999.99-999.99 1 0 20.73-999 ?-999 ?-999 ? N9 GUN C 210 mPHE.C 129 162.74 142.84 41.85 162.32 142.91 42.75 163.99 144.89 41.04 164.18 145.78 40.22 162.80 143.94 40.89 161.49 144.73 40.91 3 0 23.32-999 ?-999 ?-999 ? N9 GUN C 210 mASP~C 130 164.81 144.69 42.07 164.54 143.94 42.67 167.13 144.97 41.45 168.08 144.39 41.98 165.98 145.54 42.28 166.35 145.57 43.77 2 0 25.88-999 ?-999 ?-999 ? O2 EDO A 304 mTYR~C 131 167.05 145.14 40.13 166.25 145.64 39.82 169.45 145.25 39.44 170.46 144.63 39.15 168.07 144.61 39.24 167.62 144.73 37.77 3 0 22.46-999 ?-999 ?-999 ? O2 EDO A 304 mLYS~C 132 169.48 146.49 39.92 168.59 146.90 40.12 171.60 146.39 41.14 172.83 146.47 41.13 170.76 147.17 40.14 170.55 148.60 40.64 2 0 22.53-999 ?-999 ?-999 ? O2 EDO A 304 mASN~C 133 170.94 145.63 42.01 169.94 145.65 41.92 171.66 143.33 42.67 171.79 142.50 43.57 171.65 144.83 42.99 171.10 145.10 44.39 2 0 22.20-999 ?-999 ?-999 ? O2 EDO A 304 mGLY~C 134 171.51 143.00 41.39 171.36 143.77 40.77 170.32 140.74 40.92 170.41 139.59 40.50 171.56 141.61 40.97-999.99-999.99-999.99 1 0 19.46-999 ?-999 ?-999 ? O2 EDO A 304 mGLU.C 135 169.16 141.26 41.32 169.22 142.21 41.64 167.42 140.34 39.85 167.62 141.25 39.04 167.94 140.46 41.28 166.86 141.09 42.18 2 0 21.80-999 ?-999 ?-999 ? O2 EDO A 304 mVAL.C 136 166.76 139.23 39.54 166.68 138.56 40.27 164.71 138.90 38.24 164.16 138.48 39.26 166.23 139.05 38.19 166.84 137.81 37.49 3 0 20.48-999 ?-999 ?-999 ? N9 GUN C 210 mSER.C 137 164.04 139.26 37.15 164.61 139.59 36.39 162.06 138.26 35.99 160.86 138.12 35.78 162.58 139.18 37.10 161.96 140.58 36.97 2 0 18.69-999 ?-999 ?-999 ? N9 GUN C 210 mGLN^C 138 163.00 137.64 35.27 163.93 137.91 35.53 163.81 135.63 34.33 164.98 135.99 34.48 162.71 136.67 34.22 162.77 137.29 32.82 2 0 16.16-999 ?-999 ?-999 ? O2 EDO C 303 mTRP^C 139 163.47 134.34 34.30 162.49 134.16 34.25 164.00 132.02 33.76 162.83 131.65 33.94 164.51 133.32 34.35 165.05 133.11 35.78 3 0 13.77-999 ?-999 ?-999 ? O2 EDO C 303 mVAL^C 140 164.87 131.35 33.02 165.77 131.78 32.93 165.28 128.94 33.05 166.50 129.02 33.24 164.52 130.08 32.40 164.86 130.05 30.89 3 0 10.19-999 ?-999 ?-999 ? O2 EDO C 303 mVAL^C 141 164.56 127.89 33.42 163.58 127.96 33.28 165.17 125.64 32.92 164.09 125.21 32.53 165.23 126.72 34.00 164.53 126.22 35.28 3 0 9.52-999 ?-999 ?-999 ? O2 EDO C 303 mPRO.C 142 166.34 125.21 32.42 167.15 125.65 32.81 165.76 122.87 31.84 165.68 122.60 33.04 166.38 124.18 31.37 167.88 124.01 31.11 3 0 7.47-999 ?-999 ?-999 ? O2 EDO C 303 mGLY.C 143 165.31 122.06 30.88 165.42 122.40 29.95 165.76 119.88 31.88 166.96 119.99 31.60 164.73 120.78 31.23-999.99-999.99-999.99 1 0 6.22-999 ?-999 ?-999 ? O2 EDO C 303 mGLY.C 144 165.30 119.01 32.79 164.32 119.06 32.96 166.93 118.60 34.67 167.68 117.88 35.32 166.20 118.07 33.46-999.99-999.99-999.99 1 0 9.10-999 ?-999 ?-999 ? O1 EDO C 303 mVAL.C 145 166.72 119.87 34.99 166.07 120.34 34.38 166.43 120.57 37.33 165.29 121.02 37.20 167.37 120.52 36.12 167.78 121.97 35.73 3 0 11.65-999 ?-999 ?-999 ? O2 EDO C 303 mPHE^C 146 166.88 120.09 38.48 167.80 119.71 38.46 165.99 121.59 40.15 167.02 122.26 40.19 166.02 120.15 39.66 166.54 119.26 40.78 3 0 11.83-999 ?-999 ?-999 ? C8 GUN C 210 mLYS^C 147 164.80 122.06 40.51 164.04 121.41 40.42 163.81 123.51 42.24 162.81 122.79 42.39 164.66 123.43 40.98 164.03 124.31 39.90 2 0 10.71-999 ?-999 ?-999 ? C8 GUN C 210 mALA^C 148 164.23 124.40 43.13 165.06 124.88 42.87 163.58 126.15 44.59 164.43 126.84 44.02 163.53 124.65 44.38 164.22 123.94 45.54 2 0 11.16-999 ?-999 ?-999 ? C8 GUN C 210 mSER^C 149 162.68 126.66 45.41 162.04 126.01 45.80 162.21 128.36 47.10 161.56 127.52 47.73 162.67 128.09 45.68 161.74 128.81 44.70 2 0 12.57-999 ?-999 ?-999 ? C8 GUN C 210 mPHE^C 150 162.58 129.52 47.62 163.18 130.08 47.04 161.90 131.40 48.98 162.49 132.17 48.21 162.12 129.91 48.93 163.06 129.42 50.06 3 0 15.20-999 ?-999 ?-999 ? C8 GUN C 210 mLEU^C 151 161.01 131.78 49.88 160.63 131.02 50.41 161.70 134.02 50.70 162.44 133.57 51.58 160.61 133.16 50.08 159.38 133.16 50.98 3 0 17.27-999 ?-999 ?-999 ? C8 GUN C 210 mLEU.C 152 161.81 135.26 50.24 161.20 135.49 49.48 161.94 137.30 51.45 160.90 137.70 50.92 162.77 136.20 50.81 163.69 136.81 49.75 3 0 20.65-999 ?-999 ?-999 ? C8 GUN C 210 mPRO.C 153 162.37 137.80 52.62 163.22 137.39 52.96 161.44 140.07 52.41 162.35 140.47 51.70 161.64 138.86 53.31 162.56 139.20 54.49 3 0 23.65-999 ?-999 ?-999 ? C8 GUN C 210 mASN.C 154 160.24 140.64 52.43 159.58 140.21 53.04 158.69 142.50 52.09 157.66 141.86 52.31 159.97 141.82 51.62 159.87 141.42 50.13 2 0 24.45-999 ?-999 ?-999 ? N9 GUN C 210 mGLU.C 155 158.76 143.82 52.26 159.66 144.22 52.05 156.63 144.88 51.58 155.42 144.93 51.80 157.61 144.58 52.71 158.05 145.90 53.35 2 0 26.87-999 ?-999 ?-999 ? N9 GUN C 210 mGLU.C 156 157.15 145.06 50.37 158.15 144.96 50.34 155.16 144.43 48.97 154.12 144.85 48.45 156.32 145.38 49.21 157.19 145.47 47.94 2 0 25.65-999 ?-999 ?-999 ? N9 GUN C 210 mPHE.C 157 155.30 143.16 49.34 156.18 142.94 49.77 153.88 141.35 50.34 153.56 140.17 50.22 154.23 142.20 49.11 154.59 141.31 47.91 3 0 22.71-999 ?-999 ?-999 ? N9 GUN C 210 mASP.C 158 153.95 141.96 51.53 154.25 142.91 51.49 154.34 139.92 52.92 153.74 138.93 53.34 153.62 141.25 52.77 152.11 140.99 52.83 2 0 23.99-999 ?-999 ?-999 ? N9 GUN C 210 mASN.C 159 155.62 139.89 52.57 155.99 140.76 52.25 155.83 137.54 51.80 155.81 136.38 52.20 156.41 138.67 52.66 156.54 138.23 54.12 2 0 22.02-999 ?-999 ?-999 ? C8 GUN C 210 mGLY.C 160 155.37 137.92 50.62 155.42 138.90 50.44 155.75 136.92 48.46 156.64 137.77 48.34 154.83 136.96 49.67-999.99-999.99-999.99 1 0 18.72-999 ?-999 ?-999 ? N9 GUN C 210 mPHE^C 161 155.55 135.96 47.57 154.79 135.34 47.80 155.48 135.22 45.28 155.19 134.03 45.31 156.37 135.82 46.37 157.58 134.91 46.68 3 0 15.99-999 ?-999 ?-999 ? N9 GUN C 210 mLEU^C 162 155.04 136.06 44.35 155.37 137.00 44.46 154.80 135.68 41.90 155.38 136.70 41.51 154.15 135.64 43.27 152.90 136.54 43.23 3 0 14.22-999 ?-999 ?-999 ? N9 GUN C 210 mILE^C 163 154.72 134.58 41.17 154.25 133.82 41.62 154.30 133.80 38.90 153.29 133.25 39.35 155.27 134.52 39.82 156.62 133.73 39.75 3 0 12.22-999 ?-999 ?-999 ? N9 GUN C 210 mSER^C 164 154.60 133.84 37.62 155.40 134.40 37.40 154.85 132.19 35.98 156.02 132.56 35.84 153.82 133.11 36.62 153.25 134.05 35.56 2 0 10.22-999 ?-999 ?-999 ? N3 GUN C 210 mGLU^C 165 154.42 130.98 35.62 153.46 130.80 35.84 154.67 129.58 33.67 153.46 129.36 33.62 155.31 130.02 34.98 155.52 128.78 35.85 2 0 7.80-999 ?-999 ?-999 ? N3 GUN C 210 mVAL^C 166 155.47 129.48 32.62 156.42 129.73 32.80 155.82 127.82 30.91 157.03 127.93 30.77 154.97 129.02 31.33 155.04 130.13 30.26 3 0 8.33-999 ?-999 ?-999 ? N3 GUN C 210 mVAL^C 167 155.16 126.68 30.74 154.17 126.74 30.91 155.46 125.15 28.89 154.28 125.19 28.52 155.82 125.44 30.34 155.36 124.24 31.19 3 0 6.83-999 ?-999 ?-999 ? O2 EDO C 303 mVAL.C 168 156.47 124.87 28.07 157.36 124.87 28.53 157.23 123.41 26.29 158.44 123.52 26.45 156.29 124.57 26.65 156.67 125.79 25.76 3 0 -4.96-999 ?-999 ?-999 ? O2 EDO C 303s mPRO.C 169 156.68 122.27 25.83 157.39 121.59 25.63 154.55 122.03 26.99 155.20 122.03 28.03 155.26 121.97 25.64 155.27 120.56 25.05 3 0 5.66-999 ?-999 ?-999 ? O2 EDO C 303 mGLY.C 170 153.22 122.07 26.96 152.81 122.04 26.05 152.68 121.04 29.22 152.94 119.88 28.89 152.47 122.14 28.20-999.99-999.99-999.99 1 0 7.57-999 ?-999 ?-999 ? N2 GUN C 210 mPHE.C 171 152.55 121.42 30.49 152.32 122.38 30.61 151.98 119.16 31.45 150.79 119.13 31.12 152.74 120.48 31.59 152.33 121.13 32.91 3 0 5.32-999 ?-999 ?-999 ? N2 GUN C 210s mASP~C 172 152.68 118.07 31.73 153.64 118.25 31.94 152.84 115.96 32.80 154.07 116.03 32.90 152.10 116.73 31.71 152.30 116.06 30.34 2 0 7.57-999 ?-999 ?-999 ? N1 GUN C 210s mPHE~C 173 152.10 115.23 33.63 151.11 115.25 33.45 153.80 113.52 34.22 154.73 113.20 34.95 152.72 114.48 34.71 151.67 113.71 35.52 3 0 -7.47-999 ?-999 ?-999 ? O6 GUN C 210s mGLU~C 174 153.66 113.07 32.97 152.85 113.41 32.50 156.02 112.78 32.20 157.01 112.07 32.01 154.64 112.15 32.37 154.15 111.69 30.99 2 0 11.21-999 ?-999 ?-999 ? O6 GUN C 210 mASP.C 175 156.08 114.11 32.24 155.20 114.56 32.40 157.85 115.39 33.40 158.91 116.02 33.45 157.35 114.82 32.07 157.19 116.00 31.09 2 0 9.12-999 ?-999 ?-999 ? O1 EDO C 303 mHIS^C 176 157.10 115.14 34.46 156.31 114.57 34.27 157.99 114.65 36.75 157.60 113.49 36.74 157.43 115.68 35.78 156.15 116.30 36.37 3 0 7.41-999 ?-999 ?-999 ? C8 GUN C 210 mTHR^C 177 158.93 115.10 37.59 159.17 116.06 37.47 159.95 115.08 39.80 160.65 116.08 39.63 159.53 114.22 38.60 160.80 113.50 38.08 2 0 9.09-999 ?-999 ?-999 ? C8 GUN C 210 mPHE^C 178 159.51 114.70 41.00 158.92 113.90 41.01 161.05 114.70 42.86 161.12 113.47 42.80 159.92 115.45 42.17 158.73 115.68 43.13 3 0 9.02-999 ?-999 ?-999 ? C8 GUN C 210 mLEU.C 179 161.97 115.44 43.48 161.81 116.42 43.43 162.54 114.03 45.35 161.89 114.60 46.22 163.10 114.82 44.17 164.07 115.90 44.66 3 0 12.35-999 ?-999 ?-999 ? C8 GUN C 210 mLYS.C 180 162.78 112.73 45.36 163.34 112.40 44.59 162.70 112.24 47.83 161.89 112.17 48.76 162.26 111.87 46.41 162.61 110.41 46.12 2 0 14.71-999 ?-999 ?-999 ? N7 GUN C 210 mGLY~C 181 163.96 112.63 48.00 164.52 112.65 47.17 165.89 113.32 49.42 166.57 113.50 48.41 164.42 112.98 49.33-999.99-999.99-999.99 1 0 16.96-999 ?-999 ?-999 ? C8 GUN C 210 mGLU~C 182 166.38 113.39 50.65 165.72 113.20 51.37 168.75 112.67 50.35 169.88 113.00 50.00 167.78 113.71 50.91 168.00 113.88 52.42 2 0 19.77-999 ?-999 ?-999 ? C8 GUN C 210 mASP~C 183 168.32 111.42 50.28 167.39 111.26 50.60 169.50 110.64 48.27 170.66 110.55 47.84 169.20 110.37 49.74 168.56 108.99 49.89 2 0 21.64-999 ?-999 ?-999 ? C8 GUN C 210 mGLU~C 184 168.47 110.96 47.50 167.58 110.99 47.96 169.49 112.51 45.92 170.29 112.63 44.99 168.67 111.24 46.08 167.33 111.41 45.37 2 0 19.17-999 ?-999 ?-999 ? C8 GUN C 210 mLEU~C 185 169.29 113.45 46.83 168.61 113.23 47.52 171.51 114.44 47.02 172.36 114.96 46.30 170.03 114.71 46.79 169.49 115.67 47.86 3 0 18.94-999 ?-999 ?-999 ? C8 GUN C 210 mLYS~C 186 171.82 113.61 48.01 171.03 113.25 48.51 173.91 112.65 47.10 175.08 112.95 46.84 173.21 113.26 48.31 173.28 112.26 49.48 2 0 22.75-999 ?-999 ?-999 ? C8 GUN C 210 mHIS~C 187 173.20 111.80 46.37 172.27 111.65 46.68 174.15 112.18 44.12 175.07 111.97 43.33 173.78 111.16 45.19 172.80 110.14 44.62 3 0 23.02-999 ?-999 ?-999 ? C8 GUN C 210 mLEU~C 188 173.44 113.30 44.11 172.73 113.35 44.81 174.74 115.37 43.54 175.62 115.71 42.74 173.68 114.36 43.13 172.38 115.11 42.82 3 0 21.15-999 ?-999 ?-999 ? C8 GUN C 210 mVAL~C 189 174.67 115.86 44.78 173.95 115.47 45.34 176.57 116.51 46.35 177.42 117.32 46.72 175.61 116.88 45.22 174.85 118.15 45.65 3 0 22.75-999 ?-999 ?-999 ? C8 GUN C 210 mGLY~C 190 176.43 115.31 46.90 175.70 114.74 46.52 176.69 115.18 49.34 175.80 116.02 49.45 177.31 114.91 47.98-999.99-999.99-999.99 1 0 25.66-999 ?-999 ?-999 ? C8 GUN C 210 mPRO~C 191 177.15 114.49 50.40 177.88 113.85 50.17 176.63 116.06 52.36 175.62 116.51 52.89 176.63 114.65 51.76 177.48 113.67 52.57 3 0 26.73-999 ?-999 ?-999 ? C8 GUN C 210 mGLU~C 192 177.76 116.75 52.28 178.51 116.29 51.81 176.88 119.09 52.19 176.15 119.81 52.88 177.84 118.10 52.84 179.28 118.61 52.75 2 0 27.61-999 ?-999 ?-999 ? C8 GUN C 210 mLYS~C 193 176.86 119.13 50.86 177.49 118.50 50.40 174.51 119.61 50.36 173.62 120.44 50.48 175.96 120.05 50.17 176.30 120.09 48.67 2 0 24.49-999 ?-999 ?-999 ? C8 GUN C 210 mALA~C 194 174.29 118.30 50.39 175.11 117.73 50.29 172.35 118.17 51.91 171.15 118.43 52.01 172.94 117.76 50.56 172.96 116.23 50.44 2 0 22.36-999 ?-999 ?-999 ? C8 GUN C 210 mALA~C 195 173.19 118.23 52.93 174.14 118.00 52.71 172.29 120.07 54.26 171.28 120.43 54.87 172.74 118.62 54.26 173.87 118.43 55.27 2 0 24.23-999 ?-999 ?-999 ? C8 GUN C 210 mGLU~C 196 173.04 120.92 53.57 173.84 120.50 53.13 171.41 122.58 52.72 170.68 123.52 53.04 172.71 122.33 53.48 173.85 123.09 52.80 2 0 23.53-999 ?-999 ?-999 ? C8 GUN C 210 mLEU~C 197 171.13 121.75 51.72 171.81 121.03 51.59 168.76 121.01 51.31 167.70 121.06 50.70 169.93 121.91 50.90 170.27 121.63 49.42 3 0 19.74-999 ?-999 ?-999 ? C8 GUN C 210 mALA~C 198 168.96 120.22 52.36 169.86 120.31 52.79 166.54 119.94 53.03 165.52 119.31 52.74 167.92 119.31 52.83 168.37 118.64 54.14 2 0 19.67-999 ?-999 ?-999 ? C8 GUN C 210 mPHE~C 199 166.51 121.17 53.51 167.40 121.58 53.68 164.42 122.09 52.49 163.22 122.32 52.56 165.24 121.84 53.76 165.47 123.15 54.52 3 0 18.50-999 ?-999 ?-999 ? C8 GUN C 210 mLEU~C 200 165.08 122.02 51.34 166.06 121.80 51.43 163.94 120.94 49.40 163.37 120.96 48.31 164.41 122.24 50.06 165.36 122.97 49.10 3 0 15.12-999 ?-999 ?-999 ? C8 GUN C 210 mALA~C 201 164.17 119.81 50.07 164.64 119.93 50.94 162.71 117.84 50.40 162.65 118.08 51.61 163.76 118.52 49.53 164.97 117.61 49.37 2 0 14.62-999 ?-999 ?-999 ? C8 GUN C 210 mHIS.C 202 161.89 116.99 49.79 162.03 116.92 48.80 161.55 115.31 51.50 162.74 115.03 51.38 160.86 116.26 50.52 159.99 115.44 49.56 3 0 14.46-999 ?-999 ?-999 ? N7 GUN C 210 mHIS.C 203 160.79 114.82 52.48 159.84 115.12 52.46 160.79 112.50 53.26 159.61 112.32 52.95 161.34 113.90 53.47 161.00 114.39 54.87 3 0 17.88-999 ?-999 ?-999 ? N7 GUN C 210