REMARK SOURCE hebe.pdb 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 >ALA.A 9 178.50 144.28 35.74 179.25 143.21 36.52 178.87 143.75 36.13 2 0 13.55 -999 ? O2 EDO A 304 >ASN.A 10 178.84 148.77 37.58 177.11 149.71 36.81 177.97 149.24 37.20 2 0 19.74 -999 ? O2 EDO A 304 >ALA.A 11 183.26 148.47 36.81 184.02 147.88 35.62 183.64 148.17 36.21 2 0 16.13 -999 ? O2 EDO A 304 >ALA.A 12 185.34 151.11 38.52 186.09 150.93 39.84 185.71 151.02 39.18 2 0 20.81 -999 ? O2 EDO A 304 >ILE.A 13 186.70 154.54 35.44 186.16 155.20 34.27 186.43 154.87 34.86 3 0 22.60 -999 ? O2 EDO A 304 >GLU.A 14 189.77 152.07 39.53 189.82 150.68 41.12 189.80 151.38 40.33 2 0 21.87 -999 ? O2 EDO A 304 >PRO.A 15 191.84 155.11 33.84 192.70 153.33 34.85 192.27 154.22 34.34 3 0 22.99 -999 ? O6 GUN A 210 >ALA~A 16 196.60 151.59 34.81 197.01 150.23 34.25 196.81 150.91 34.53 2 0 21.00 -999 ? C2 EDO B 305 >SER~A 17 199.88 153.49 34.57 201.61 151.78 34.64 200.74 152.64 34.61 2 0 22.82 -999 ? C2 EDO B 305 >PHE~A 18 200.31 150.32 30.40 198.89 147.91 30.57 199.60 149.11 30.48 3 0 17.71 -999 ? C2 EDO B 305 >VAL~A 19 196.90 153.96 30.05 194.94 153.03 30.23 195.92 153.49 30.14 3 0 20.43 -999 ? O6 GUN A 210 >LYS~A 20 197.30 157.40 31.63 196.15 156.95 37.85 196.73 157.17 34.74 2 0 27.86 -999 ? O6 GUN A 210 >VAL~A 21 200.81 157.57 30.15 202.34 158.60 31.30 201.57 158.09 30.73 3 0 24.77 -999 ? O6 GUN A 210 >PRO.A 22 199.25 156.75 26.19 200.91 155.98 27.46 200.08 156.36 26.83 3 0 20.59 -999 ? O6 GUN A 210 >MET.A 23 204.38 153.67 26.43 204.51 150.11 28.61 204.45 151.89 27.52 2 0 18.67 -999 ? C2 EDO B 305 >PRO.A 24 208.30 154.39 24.67 206.18 154.43 24.00 207.24 154.41 24.33 3 0 21.57 -999 ? C2 EDO B 305 >GLU.A 25 208.70 151.51 21.02 208.07 151.93 19.05 208.39 151.72 20.04 2 0 19.12 -999 ? C2 EDO B 305 >PRO.A 26 203.90 147.84 20.25 204.64 148.41 22.27 204.27 148.13 21.26 3 0 14.12 -999 ? C2 EDO B 305 >PRO~A 27 203.95 144.37 25.19 205.20 145.00 23.46 204.58 144.68 24.32 3 0 12.72 -999 ? C2 EDO B 305 >SER~A 28 207.39 142.87 20.51 208.96 141.24 21.42 208.17 142.05 20.97 2 0 13.32 -999 ? C2 EDO B 305 >SER~A 29 204.80 140.07 20.25 203.58 139.97 22.35 204.19 140.02 21.30 2 0 8.52 -999 ? C2 EDO B 305 >LEU~A 30 201.46 143.57 20.66 200.16 142.85 22.24 200.81 143.21 21.45 3 0 8.39 -999 ? C2 EDO B 305 >GLN~A 31 206.20 146.06 16.41 205.04 147.83 16.11 205.62 146.95 16.26 2 0 14.19 -999 ? C1 EDO B 305 >GLN~A 32 205.61 139.03 14.80 207.21 139.47 13.45 206.41 139.25 14.13 2 0 11.45 -999 ? C1 EDO B 305 >LEU~A 33 200.09 140.75 16.40 198.05 140.04 16.38 199.07 140.40 16.39 3 0 4.70 -999 ? C1 EDO B 305 >ILE~A 34 200.99 145.70 14.73 200.77 146.96 15.36 200.88 146.33 15.05 3 0 10.97 -999 ? C1 EDO B 305 >ASN~A 35 204.68 143.82 11.48 205.59 145.46 12.47 205.13 144.64 11.98 2 0 13.45 -999 ? C1 EDO B 305 >ASP~A 36 202.21 139.23 10.79 204.20 138.66 11.27 203.21 138.95 11.03 2 0 9.63 -999 ? C1 EDO B 305 >TRP~A 37 197.98 138.81 11.16 195.23 138.35 13.94 196.61 138.58 12.55 3 0 -4.93 -999 ? C1 EDO B 305s >GLN~A 38 200.35 144.32 6.41 200.20 144.37 4.29 200.27 144.34 5.35 2 0 15.33 -999 ? N9 GUN A 210 >LEU.A 39 196.87 146.16 12.69 195.81 144.40 13.37 196.34 145.28 13.03 3 0 9.77 -999 ? C1 EDO B 305 >ILE^A 40 196.39 151.02 9.68 195.61 150.98 8.47 196.00 151.00 9.07 3 0 8.13 -999 ? C8 GUN A 210 >LYS^A 41 196.34 153.04 13.63 201.52 155.26 16.48 198.93 154.15 15.05 2 0 15.05 -999 ? N7 GUN A 210 >HIS.A 42 190.22 153.46 14.49 188.26 154.11 14.15 189.24 153.79 14.32 3 0 -4.02 -999 ? O6 GUN A 210s >ARG.A 43 189.63 158.84 11.14 188.19 159.03 8.44 188.91 158.94 9.79 2 0 5.05 -999 ? C8 GUN A 210 >GLU.A 44 187.68 157.40 17.74 187.72 158.43 15.90 187.70 157.91 16.82 2 0 7.20 -999 ? O6 GUN A 210 >GLY.A 45 193.27 155.15 18.96 192.74 154.74 18.43 193.00 154.95 18.69 1 0 10.21 -999 ? O6 GUN A 210 >GLY.A 46 194.28 151.51 18.81 194.46 152.03 18.20 194.37 151.77 18.50 1 0 10.55 -999 ? O6 GUN A 210 >TYR^A 47 197.61 149.17 16.29 199.95 150.43 17.16 198.78 149.80 16.72 3 0 13.32 -999 ? N7 GUN A 210 >PHE^A 48 191.15 149.65 12.32 190.79 151.36 10.12 190.97 150.50 11.22 3 0 -4.55 -999 ? C5 GUN A 210s >LYS^A 49 191.89 146.37 9.95 195.11 141.99 7.27 193.50 144.18 8.61 2 0 11.32 -999 ? C1 EDO B 305 >GLU^A 50 186.67 146.28 6.58 185.70 147.77 5.44 186.19 147.02 6.01 2 0 -3.86 -999 ? N2 GUN A 210s >THR^A 51 188.85 142.05 7.11 189.35 141.17 9.01 189.10 141.61 8.06 2 0 8.99 -999 ? OXT ACY A 307 >ASP^A 52 184.69 140.48 6.22 183.09 139.73 5.01 183.89 140.11 5.61 2 0 9.77 -999 ? OXT ACY A 307 >ARG^A 53 183.16 147.50 2.32 182.49 149.66 4.42 182.83 148.58 3.37 2 0 5.40 -999 ? N2 GUN A 210 >SER.A 54 179.79 142.10 2.47 177.56 141.23 2.39 178.68 141.67 2.43 2 0 12.00 -999 ? OXT ACY A 307 >PRO.A 55 180.30 139.70 -0.94 179.44 141.74 -0.63 179.87 140.72 -0.78 3 0 13.83 -999 ? OXT ACY A 307 >TYR.A 56 174.87 140.02 -0.52 174.99 137.47 -1.65 174.93 138.74 -1.09 3 0 16.59 -999 ? O1 EDO B 301 >THR^A 57 174.21 145.90 -0.31 174.71 146.76 -2.23 174.46 146.33 -1.27 2 0 15.54 -999 ? OXT ACY A 307 >MET^A 58 171.11 147.36 1.35 171.91 146.46 5.38 171.51 146.91 3.37 2 0 7.97 -999 ? C1 EDO A 306 >GLU^A 59 168.79 150.71 -1.34 167.70 151.70 -2.87 168.24 151.20 -2.10 2 0 15.57 -999 ? O1 EDO A 306 >VAL^A 60 168.48 152.43 4.44 170.30 151.79 5.45 169.39 152.11 4.94 3 0 7.62 -999 ? O1 EDO A 306 >GLU.A 61 164.56 157.01 5.92 162.58 156.99 6.64 163.57 157.00 6.28 2 0 11.44 -999 ? O1 EDO A 306 >LYS.A 62 169.02 158.03 7.07 173.90 160.43 7.89 171.46 159.23 7.48 2 0 10.68 -999 ? O1 EDO A 306 >PRO.A 63 169.27 160.31 10.78 168.46 160.61 8.73 168.87 160.46 9.76 3 0 9.70 -999 ? O1 EDO A 306 >VAL.A 64 169.74 164.29 7.06 169.97 164.43 4.90 169.85 164.36 5.98 3 0 14.57 -999 ? O1 EDO A 306 >MET.A 73 167.94 156.84 1.18 165.34 155.12 1.97 166.64 155.98 1.57 2 0 12.33 -999 ? O1 EDO A 306 >VAL^A 74 171.55 155.65 1.10 172.26 156.61 2.93 171.91 156.13 2.01 3 0 11.53 -999 ? O1 EDO A 306 >THR^A 75 173.30 152.42 0.09 173.30 151.56 -1.91 173.30 151.99 -0.91 2 0 14.57 -999 ? O1 EDO A 306 >ARG^A 76 176.15 152.67 4.74 175.72 155.65 4.14 175.94 154.16 4.44 2 0 10.63 -999 ? O1 EDO A 306 >ASN^A 77 178.68 146.70 2.52 179.81 147.56 0.94 179.24 147.13 1.73 2 0 9.92 -999 ? N2 GUN A 210 >GLN.A 78 173.64 143.23 3.11 172.54 141.42 2.96 173.09 142.33 3.03 2 0 12.86 -999 ? O2 EDO A 306 >SER.A 79 178.04 144.31 7.03 178.43 141.89 6.95 178.23 143.10 6.99 2 0 8.51 -999 ? OXT ACY A 307 >THR^A 80 181.68 144.99 7.84 181.69 147.14 7.61 181.69 146.06 7.73 2 0 -3.50 -999 ? OXT ACY A 307s >LEU^A 81 184.16 141.68 9.89 184.92 140.07 11.13 184.54 140.87 10.51 3 0 6.96 -999 ? OXT ACY A 307 >ILE^A 82 187.34 146.02 12.09 186.81 147.28 12.47 187.08 146.65 12.28 3 0 3.97 -999 ? C ACY A 307s >TYR^A 83 191.36 141.24 13.48 191.60 138.49 13.05 191.48 139.86 13.26 3 0 7.34 -999 ? C1 EDO B 305 >TYR^A 84 189.56 148.07 17.88 189.99 150.62 18.95 189.78 149.34 18.42 3 0 7.82 -999 ? O6 GUN A 210 >LEU^A 85 194.81 145.25 18.46 196.52 144.22 19.31 195.66 144.74 18.89 3 0 8.42 -999 ? C2 EDO B 305 >LEU^A 86 193.65 148.45 23.21 191.99 149.82 22.97 192.82 149.14 23.09 3 0 13.18 -999 ? O6 GUN A 210 >THR.A 87 198.23 148.05 23.18 199.02 148.19 21.19 198.63 148.12 22.19 2 0 12.27 -999 ? C2 EDO B 305 >PRO.A 88 201.12 147.50 26.41 200.14 149.21 25.36 200.63 148.36 25.88 3 0 14.55 -999 ? C2 EDO B 305 >ASP.A 89 202.51 152.01 22.12 201.67 150.92 20.53 202.09 151.47 21.32 2 0 15.41 -999 ? C2 EDO B 305 >SER.A 90 197.93 152.96 22.05 196.74 153.63 20.04 197.33 153.29 21.05 2 0 13.20 -999 ? N7 GUN A 210 >PRO.A 91 197.03 153.41 26.29 196.30 152.14 24.61 196.67 152.77 25.45 3 0 16.92 -999 ? O6 GUN A 210 >ILE^A 92 192.86 155.36 25.08 192.60 156.31 26.11 192.73 155.84 25.60 3 0 15.28 -999 ? O6 GUN A 210 >GLY^A 93 189.87 154.04 22.00 189.87 154.52 22.80 189.87 154.28 22.40 1 0 10.56 -999 ? O6 GUN A 210 >LYS^A 94 188.51 157.60 22.24 192.46 160.41 24.92 190.49 159.00 23.58 2 0 16.27 -999 ? O6 GUN A 210 >PHE^A 95 184.01 159.00 24.94 183.56 158.15 27.58 183.78 158.58 26.26 3 0 15.43 -999 ? O6 GUN A 210 >HIS^A 96 183.96 156.13 18.26 184.30 154.06 18.45 184.13 155.10 18.36 3 0 6.91 -999 ? O6 GUN A 210 >LYS^A 97 179.43 156.87 18.23 175.40 161.73 18.80 177.42 159.30 18.51 2 0 13.11 -999 ? O1 EDO A 306 >ASN^A 98 178.40 153.89 14.79 178.21 153.47 12.70 178.30 153.68 13.75 2 0 7.19 -999 ? O ACY A 307 >ILE.A 99 173.81 156.01 12.60 173.17 156.89 11.71 173.49 156.45 12.16 3 0 5.88 -999 ? O1 EDO A 306 >ASN.A 100 174.74 150.98 12.68 174.01 151.80 10.86 174.38 151.39 11.77 2 0 -3.73 -999 ? O1 EDO A 306s >ARG.A 101 171.65 146.68 16.40 171.56 144.25 18.29 171.60 145.46 17.35 2 0 -6.89 -999 ? O2 EDO A 306s >ILE^A 102 179.14 148.32 17.00 180.28 148.96 16.37 179.71 148.64 16.68 3 0 5.05 -999 ? CH3 ACY A 307 >ILE^A 103 178.09 142.59 16.98 177.27 141.49 16.63 177.68 142.04 16.81 3 0 8.40 -999 ? CH3 ACY A 307 >HIS^A 104 181.88 145.63 20.57 181.29 147.61 20.22 181.58 146.62 20.40 3 0 7.65 -999 ? CH3 ACY A 307 >ILE^A 105 183.21 138.86 19.14 182.54 137.89 18.43 182.88 138.37 18.78 3 0 10.80 -999 ? CH3 ACY A 307 >LEU^A 106 186.32 139.13 24.13 187.97 139.04 25.53 187.14 139.09 24.83 3 0 7.93 -999 ? O2 EDO A 304 >GLN^A 107 188.49 137.42 18.83 189.10 137.28 16.80 188.79 137.35 17.82 2 0 7.56 -999 ? O1 EDO B 305 >ARG^A 108 193.68 135.10 22.51 196.71 134.64 22.82 195.20 134.87 22.67 2 0 -3.71 -999 ? O2 EDO B 305s >GLY^A 109 193.24 139.79 26.47 192.53 139.51 26.42 192.89 139.65 26.45 1 0 9.11 -999 ? O2 EDO B 305 >LYS.A 110 191.31 142.18 28.67 190.86 137.94 31.90 191.08 140.06 30.29 2 0 8.39 -999 ? O2 EDO A 304 >GLY^A 111 189.85 145.65 28.40 189.33 145.19 28.87 189.59 145.42 28.64 1 0 13.69 -999 ? O2 EDO A 304 >GLN^A 112 186.48 149.34 31.79 187.04 149.75 33.82 186.76 149.55 32.80 2 0 17.48 -999 ? O2 EDO A 304 >TYR^A 113 183.95 148.75 25.82 185.15 148.04 23.39 184.55 148.39 24.61 3 0 11.89 -999 ? CH3 ACY A 307 >VAL^A 114 182.80 153.21 29.00 183.83 154.67 30.24 183.32 153.94 29.62 3 0 17.62 -999 ? O6 GUN A 210 >LEU^A 115 178.40 153.09 27.30 178.67 151.30 26.12 178.53 152.20 26.71 3 0 15.01 -999 ? O2 EDO A 306 >VAL^A 116 177.74 157.57 27.58 178.82 159.40 28.01 178.28 158.49 27.79 3 0 18.23 -999 ? O2 EDO A 306 >TYR.A 117 173.23 155.38 27.47 173.80 152.64 27.51 173.51 154.01 27.49 3 0 14.94 -999 ? C2 EDO A 306 >PRO.A 118 170.89 159.07 24.07 172.59 159.98 25.18 171.74 159.53 24.63 3 0 14.76 -999 ? O1 EDO A 306 >ASP.A 119 169.45 160.36 28.85 170.25 158.48 29.37 169.85 159.42 29.11 2 0 18.34 -999 ? C2 EDO A 306 >GLY.A 120 173.84 161.52 30.09 173.55 160.80 30.06 173.69 161.16 30.08 1 0 20.66 -999 ? O1 EDO A 306 >GLN.A 121 173.31 155.88 32.74 171.83 154.34 32.72 172.57 155.11 32.73 2 0 19.85 -999 ? C2 EDO A 306 >VAL^A 122 177.49 156.67 32.04 179.32 157.81 32.33 178.41 157.24 32.19 3 0 21.39 -999 ? O2 EDO A 306 >LYS^A 123 178.03 152.91 32.07 174.18 149.69 32.96 176.10 151.30 32.52 2 0 19.67 -999 ? C2 EDO A 306 >SER^A 124 181.28 150.95 32.40 183.65 151.36 32.77 182.46 151.15 32.58 2 0 18.66 -999 ? O2 EDO A 304 >PHE^A 125 180.70 146.72 30.18 180.39 147.21 27.43 180.54 146.97 28.81 3 0 14.49 -999 ? O2 EDO A 304 >LYS^A 126 185.07 144.98 31.91 188.68 145.97 37.00 186.88 145.47 34.46 2 0 15.60 -999 ? O2 EDO A 304 >VAL^A 127 185.80 142.62 29.03 185.42 143.12 26.94 185.61 142.87 27.98 3 0 9.96 -999 ? O2 EDO A 304 >GLY.A 128 187.56 139.30 29.51 186.72 139.15 29.41 187.14 139.23 29.46 1 0 6.93 -999 ? O2 EDO A 304 >PHE.A 129 187.98 134.71 27.55 188.04 135.07 24.77 188.01 134.89 26.16 3 0 -4.95 -999 ? O1 EDO A 304s >ASP~A 130 187.55 136.10 34.49 187.48 135.25 36.43 187.52 135.67 35.46 2 0 8.02 -999 ? O2 EDO A 304 >TYR~A 131 181.71 133.42 32.83 181.51 130.68 33.39 181.61 132.05 33.11 3 0 -4.94 -999 ? O2 EDO A 304s >LYS~A 132 182.59 134.46 37.06 184.60 128.46 37.22 183.59 131.46 37.14 2 0 8.86 -999 ? C2 EDO A 304 >ASN~A 133 185.64 137.95 38.06 186.47 136.84 39.69 186.06 137.40 38.88 2 0 11.24 -999 ? O2 EDO A 304 >GLY~A 134 181.72 139.92 35.90 182.27 139.57 35.53 181.99 139.75 35.72 1 0 9.96 -999 ? O2 EDO A 304 >GLU.A 135 186.16 140.20 33.44 188.07 139.28 33.39 187.12 139.74 33.42 2 0 8.24 -999 ? O2 EDO A 304 >VAL.A 136 181.90 139.69 29.33 180.54 141.40 29.37 181.22 140.54 29.35 3 0 8.20 -999 ? O2 EDO A 304 >SER.A 137 183.10 138.30 25.99 182.55 135.92 26.20 182.83 137.11 26.09 2 0 4.67 -999 ? O2 EDO A 304 >GLN^A 138 179.64 137.31 22.55 177.99 136.01 22.11 178.81 136.66 22.33 2 0 10.17 -999 ? O2 EDO A 304 >TRP^A 139 180.89 145.74 24.21 183.93 143.26 23.86 182.41 144.50 24.03 3 0 11.53 -999 ? CH3 ACY A 307 >VAL^A 140 176.43 145.20 21.77 174.82 144.45 20.49 175.62 144.83 21.13 3 0 9.36 -999 ? O2 EDO A 306 >VAL^A 141 176.63 148.98 21.91 178.34 150.24 22.41 177.49 149.61 22.16 3 0 10.14 -999 ? O2 EDO A 306 >PRO.A 142 172.52 149.91 22.76 173.91 150.26 21.06 173.21 150.08 21.91 3 0 8.65 -999 ? O2 EDO A 306 >GLY.A 143 173.60 153.13 17.89 173.26 153.18 18.67 173.43 153.15 18.28 1 0 6.24 -999 ? O2 EDO A 306 >GLY.A 144 173.80 156.71 19.10 174.25 156.15 19.44 174.03 156.43 19.27 1 0 9.16 -999 ? O1 EDO A 306 >VAL.A 145 175.69 155.73 22.25 175.02 154.29 23.76 175.36 155.01 23.00 3 0 11.73 -999 ? O2 EDO A 306 >PHE^A 146 179.40 159.70 22.44 179.23 161.85 20.67 179.32 160.78 21.56 3 0 14.17 -999 ? O6 GUN A 210 >LYS^A 147 181.74 154.51 23.53 179.80 151.68 19.06 180.77 153.10 21.29 2 0 8.08 -999 ? CH3 ACY A 307 >ALA^A 148 185.39 154.52 24.56 185.78 155.73 25.41 185.59 155.13 24.98 2 0 13.54 -999 ? O6 GUN A 210 >SER^A 149 187.62 151.70 25.71 188.21 150.76 23.54 187.91 151.23 24.62 2 0 11.58 -999 ? O6 GUN A 210 >PHE^A 150 190.47 152.05 29.76 189.07 151.82 32.19 189.77 151.93 30.98 3 0 19.07 -999 ? O6 GUN A 210 >LEU^A 151 194.88 148.52 27.38 196.32 146.90 27.38 195.60 147.71 27.38 3 0 14.47 -999 ? C2 EDO B 305 >LEU.A 152 192.29 145.59 31.60 190.52 146.42 32.53 191.40 146.00 32.07 3 0 14.91 -999 ? O2 EDO A 304 >PRO.A 153 197.21 146.80 33.48 196.27 145.30 32.14 196.74 146.05 32.81 3 0 17.31 -999 ? C2 EDO B 305 >ASN.A 154 195.58 140.85 30.71 195.88 141.11 28.62 195.73 140.98 29.67 2 0 11.09 -999 ? O2 EDO B 305 >GLU.A 155 201.23 136.82 32.21 201.88 135.76 33.93 201.55 136.29 33.07 2 0 15.74 -999 ? O2 EDO B 305 >GLU.A 156 194.94 136.78 29.23 193.03 136.13 29.87 193.99 136.45 29.55 2 0 8.32 -999 ? O1 EDO A 304 >PHE.A 157 196.57 139.04 23.87 196.76 139.64 21.13 196.67 139.34 22.50 3 0 5.02 -999 ? C2 EDO B 305 >ASP.A 158 201.88 139.96 25.42 202.81 138.05 25.37 202.35 139.01 25.40 2 0 9.26 -999 ? C2 EDO B 305 >ASN.A 159 200.32 144.20 28.42 200.72 143.96 30.51 200.52 144.08 29.46 2 0 14.74 -999 ? C2 EDO B 305 >GLY.A 160 197.12 143.46 24.73 196.72 143.12 25.40 196.92 143.29 25.06 1 0 9.45 -999 ? C2 EDO B 305 >PHE^A 161 191.25 144.73 24.78 188.46 144.71 25.08 189.86 144.72 24.93 3 0 12.68 -999 ? C2 EDO B 305 >LEU^A 162 193.01 140.91 20.09 192.88 140.57 17.95 192.94 140.74 19.02 3 0 5.89 -999 ? C2 EDO B 305 >ILE^A 163 187.54 142.91 20.41 187.25 144.14 21.12 187.40 143.52 20.77 3 0 9.92 -999 ? CH3 ACY A 307 >SER^A 164 186.42 141.63 16.48 187.23 139.56 15.45 186.83 140.59 15.97 2 0 9.38 -999 ? CH3 ACY A 307 >GLU^A 165 184.47 145.92 17.27 184.91 147.98 17.41 184.69 146.95 17.34 2 0 -5.02 -999 ? CH3 ACY A 307s >VAL^A 166 180.72 143.62 13.27 180.08 141.65 12.58 180.40 142.63 12.93 3 0 5.35 -999 ? CH3 ACY A 307 >VAL^A 167 178.48 146.48 12.22 178.85 148.55 11.57 178.67 147.52 11.89 3 0 4.26 -999 ? CH3 ACY A 307 >VAL.A 168 175.20 146.16 10.30 174.37 144.16 10.00 174.79 145.16 10.15 3 0 -5.51 -999 ? O2 EDO A 306s >PRO.A 169 172.57 149.13 7.86 174.31 148.06 8.73 173.44 148.60 8.29 3 0 5.18 -999 ? O2 EDO A 306 >GLY.A 170 178.32 148.04 7.13 177.85 148.67 7.24 178.08 148.36 7.19 1 0 6.18 -999 ? OXT ACY A 307 >PHE.A 171 182.71 151.94 9.22 183.88 154.42 9.79 183.30 153.18 9.51 3 0 3.53 -999 ? N1 GUN A 210s >ASP~A 172 179.29 154.44 5.71 179.52 155.80 4.10 179.41 155.12 4.91 2 0 9.69 -999 ? N3 GUN A 210 >PHE~A 173 184.14 159.08 8.03 185.30 160.98 9.74 184.72 160.03 8.89 3 0 7.01 -999 ? N7 GUN A 210 >GLU~A 174 178.94 159.45 4.69 179.92 161.32 4.79 179.43 160.38 4.74 2 0 12.02 -999 ? C8 GUN A 210 >ASP.A 175 177.07 155.80 9.97 176.10 155.47 8.11 176.58 155.63 9.04 2 0 8.09 -999 ? O1 EDO A 306 >HIS^A 176 182.98 157.37 13.02 184.42 157.14 14.52 183.70 157.26 13.77 3 0 5.57 -999 ? O6 GUN A 210 >THR^A 177 180.80 160.74 14.93 179.03 162.00 15.14 179.92 161.37 15.03 2 0 12.20 -999 ? O6 GUN A 210 >PHE^A 178 185.55 162.59 16.02 186.19 164.84 14.49 185.87 163.71 15.25 3 0 11.18 -999 ? N7 GUN A 210 >LEU.A 179 183.14 162.61 21.89 183.35 163.42 23.88 183.25 163.01 22.89 3 0 15.24 -999 ? O6 GUN A 210 >LYS~A 180 184.85 166.69 20.41 182.63 169.26 15.03 183.74 167.97 17.72 2 0 16.90 -999 ? N7 GUN A 210 >GLY~A 181 186.90 167.36 23.53 186.21 167.05 23.51 186.56 167.21 23.52 1 0 18.71 -999 ? O6 GUN A 210 >GLU~A 182 186.39 167.73 29.70 187.73 168.42 31.18 187.06 168.07 30.44 2 0 24.81 -999 ? O6 GUN A 210 >ASP~A 183 183.96 171.57 25.12 185.65 172.74 25.60 184.81 172.16 25.36 2 0 24.29 -999 ? O6 GUN A 210 >GLU~A 184 180.06 166.99 22.51 180.37 166.13 20.60 180.21 166.56 21.55 2 0 17.01 -999 ? O6 GUN A 210 >LEU~A 185 182.96 165.13 27.54 183.20 163.31 28.69 183.08 164.22 28.12 3 0 19.96 -999 ? O6 GUN A 210 >LYS~A 186 180.77 168.31 29.72 183.82 173.03 32.65 182.30 170.67 31.18 2 0 29.05 -999 ? O6 GUN A 210 >HIS~A 187 177.83 170.70 26.28 178.64 172.59 25.87 178.24 171.65 26.07 3 0 24.91 -999 ? O6 GUN A 210 >LEU~A 188 177.18 164.24 27.41 176.71 163.70 25.37 176.94 163.97 26.39 3 0 19.88 -999 ? O1 EDO A 306 >VAL~A 189 177.72 164.17 31.72 179.37 162.86 31.17 178.54 163.51 31.44 3 0 23.37 -999 ? O6 GUN A 210 >GLY~A 190 178.41 167.45 33.50 179.03 167.06 33.08 178.72 167.25 33.29 1 0 27.09 -999 ? O6 GUN A 210 >PRO~A 191 180.35 170.32 36.07 181.02 168.89 34.51 180.69 169.60 35.29 3 0 29.20 -999 ? O6 GUN A 210 >GLU~A 192 180.59 166.25 38.55 179.63 168.09 38.11 180.11 167.17 38.33 2 0 30.88 -999 ? O6 GUN A 210 >LYS~A 193 182.16 163.47 35.37 181.58 158.22 36.42 181.87 160.84 35.89 2 0 25.21 -999 ? O6 GUN A 210 >ALA~A 194 183.66 165.11 32.28 183.25 166.47 31.73 183.45 165.79 32.00 2 0 24.14 -999 ? O6 GUN A 210 >ALA~A 195 186.90 165.69 34.20 187.01 166.51 35.48 186.96 166.10 34.84 2 0 27.15 -999 ? O6 GUN A 210 >GLU~A 196 186.29 159.88 36.44 184.78 158.94 37.58 185.53 159.41 37.01 2 0 26.15 -999 ? O6 GUN A 210 >LEU~A 197 185.14 160.48 31.22 183.74 159.03 31.98 184.44 159.75 31.60 3 0 20.72 -999 ? O6 GUN A 210 >ALA~A 198 188.71 163.39 29.96 189.38 164.59 30.64 189.04 163.99 30.30 2 0 22.27 -999 ? O6 GUN A 210 >PHE~A 199 191.42 158.85 30.80 189.99 156.63 31.76 190.71 157.74 31.28 3 0 20.27 -999 ? O6 GUN A 210 >LEU~A 200 187.90 158.18 27.59 188.15 156.29 28.60 188.03 157.23 28.10 3 0 16.64 -999 ? O6 GUN A 210 >ALA~A 201 188.04 162.05 24.82 187.16 163.13 25.43 187.60 162.59 25.13 2 0 16.99 -999 ? O6 GUN A 210 >HIS.A 202 189.52 162.64 19.64 189.97 160.96 18.46 189.75 161.80 19.05 3 0 11.95 -999 ? N7 GUN A 210 >ASN.B 10 194.15 122.56 1.82 192.12 122.85 1.24 193.13 122.70 1.53 2 0 20.01 -999 ? O1 EDO B 305 >ALA.B 11 194.69 120.96 6.37 194.17 121.40 7.73 194.43 121.18 7.05 2 0 16.37 -999 ? O1 EDO B 305 >ALA.B 12 194.30 117.19 6.24 195.49 116.24 6.22 194.89 116.72 6.23 2 0 21.45 -999 ? O1 EDO B 305 >ILE.B 13 189.97 115.13 7.06 189.05 116.17 7.45 189.51 115.65 7.26 3 0 22.54 -999 ? O1 EDO B 305 >GLU.B 14 195.02 113.67 9.49 197.09 114.07 9.67 196.06 113.87 9.58 2 0 22.07 -999 ? O1 EDO B 305 >PRO.B 15 188.67 112.83 11.45 190.43 113.21 12.76 189.55 113.02 12.11 3 0 23.45 -999 ? O1 EDO B 305 >ALA~B 16 190.99 112.57 16.98 191.06 113.65 18.06 191.03 113.11 17.52 2 0 20.84 -999 ? C1 EDO A 304 >SER~B 17 189.74 109.53 18.91 190.82 109.73 21.08 190.28 109.63 19.99 2 0 23.00 -999 ? O1 EDO A 304 >PHE~B 18 187.94 113.66 21.42 189.40 115.95 20.75 188.67 114.80 21.08 3 0 17.96 -999 ? C1 EDO A 304 >VAL~B 19 185.73 112.74 17.33 186.54 114.18 15.91 186.13 113.46 16.62 3 0 20.88 -999 ? O6 GUN B 210 >LYS~B 20 184.95 109.39 15.72 189.59 107.60 11.76 187.27 108.49 13.74 2 0 27.54 -999 ? O6 GUN B 210 >VAL~B 21 183.92 108.11 19.15 184.38 106.03 19.59 184.15 107.07 19.37 3 0 24.87 -999 ? O6 GUN B 210 >PRO.B 22 180.61 110.63 20.37 182.77 110.45 20.88 181.69 110.54 20.62 3 0 21.02 -999 ? O6 GUN B 210 >MET.B 23 183.04 110.82 25.19 186.29 110.43 25.81 184.67 110.62 25.50 2 0 20.72 -999 ? C1 EDO A 304 >PRO.B 24 181.35 109.14 28.82 180.57 110.14 26.99 180.96 109.64 27.91 3 0 21.80 -999 ? C1 EDO A 304 >GLU.B 25 178.44 112.43 30.81 176.60 113.11 30.04 177.52 112.77 30.43 2 0 16.91 -999 ? O1 EDO C 303 >PRO.B 26 179.85 117.90 29.30 181.33 116.30 28.86 180.59 117.10 29.08 3 0 14.71 -999 ? C1 EDO A 304 >PRO~B 27 185.78 118.70 29.27 184.37 117.49 30.50 185.07 118.10 29.89 3 0 13.00 -999 ? O1 EDO A 304 >SER~B 28 183.82 119.45 34.27 185.83 119.42 35.63 184.82 119.43 34.95 2 0 13.42 -999 ? O1 EDO A 304 >SER~B 29 185.23 122.81 33.14 186.91 122.58 31.39 186.07 122.70 32.26 2 0 8.77 -999 ? O1 EDO A 304 >LEU~B 30 183.44 121.89 28.75 185.04 122.42 27.40 184.24 122.15 28.07 3 0 8.90 -999 ? C1 EDO A 304 >GLN~B 31 178.54 119.78 33.11 177.20 119.27 31.53 177.87 119.53 32.32 2 0 14.50 -999 ? C2 EDO A 304 >GLN~B 32 181.21 125.70 35.97 182.68 125.76 37.51 181.94 125.73 36.74 2 0 10.51 -999 ? C2 EDO A 304 >LEU~B 33 181.48 126.66 30.02 181.88 128.30 28.66 181.68 127.48 29.34 3 0 4.95 -999 ? C2 EDO A 304 >ILE~B 34 177.46 123.46 29.09 177.34 122.39 28.17 177.40 122.93 28.63 3 0 11.13 -999 ? C2 EDO A 304 >ASN~B 35 175.65 124.39 33.94 175.51 122.28 33.74 175.58 123.33 33.84 2 0 13.72 -999 ? C2 EDO A 304 >ASP~B 36 177.70 129.27 33.89 178.50 128.39 35.65 178.10 128.83 34.77 2 0 9.44 -999 ? C2 EDO A 304 >TRP~B 37 178.18 131.48 30.49 180.62 132.16 27.48 179.40 131.82 28.98 3 0 -4.90 -999 ? C2 EDO A 304s >GLN~B 38 170.71 128.57 30.87 168.82 129.53 31.05 169.77 129.05 30.96 2 0 11.49 -999 ? C2 EDO C 303 >LEU.B 39 175.68 126.18 25.99 177.02 127.83 25.59 176.35 127.00 25.79 3 0 9.74 -999 ? C2 EDO A 304 >ILE^B 40 170.50 124.05 24.42 169.80 123.38 25.50 170.15 123.72 24.96 3 0 8.52 -999 ? C2 EDO C 303 >LYS^B 41 173.07 120.75 22.54 174.75 115.34 24.07 173.91 118.05 23.31 2 0 13.93 -999 ? O1 EDO C 303 >HIS.B 42 172.61 123.11 16.88 171.67 123.82 15.14 172.14 123.46 16.01 3 0 -4.48 -999 ? O6 GUN B 210s >ARG.B 43 167.76 118.89 13.84 165.70 117.92 11.78 166.73 118.40 12.81 2 0 10.85 -999 ? N7 GUN B 210 >GLU.B 44 172.81 121.24 12.58 171.70 119.97 11.32 172.26 120.60 11.95 2 0 8.36 -999 ? O6 GUN B 210 >GLY.B 45 175.82 118.69 17.16 175.53 119.49 17.01 175.67 119.09 17.08 1 0 10.45 -999 ? O6 GUN B 210 >GLY.B 46 177.66 121.06 19.47 176.88 120.79 19.61 177.27 120.93 19.54 1 0 10.54 -999 ? O6 GUN B 210 >TYR^B 47 176.79 122.01 24.17 176.85 119.47 25.37 176.82 120.74 24.77 3 0 13.53 -999 ? O6 GUN B 210 >PHE^B 48 172.93 126.79 19.59 170.15 126.74 19.27 171.54 126.76 19.43 3 0 -4.64 -999 ? C5 GUN B 210s >LYS^B 49 172.79 129.83 22.32 172.65 132.73 27.93 172.72 131.28 25.13 2 0 11.75 -999 ? C2 EDO A 304 >GLU^B 50 169.86 134.14 18.90 168.15 134.07 17.66 169.01 134.11 18.28 2 0 -3.49 -999 ? N3 GUN B 210s >THR^B 51 172.59 135.78 22.39 174.68 135.34 22.62 173.64 135.56 22.51 2 0 8.70 -999 ? N2 GUN B 210 >ASP^B 52 172.60 139.58 19.89 171.90 141.48 19.22 172.25 140.53 19.56 2 0 9.53 -999 ? O2 EDO A 306 >ARG^B 53 165.58 137.18 16.37 166.29 134.98 14.34 165.94 136.08 15.36 2 0 -4.21 -999 ? O1 EDO B 301s >SER.B 54 168.78 142.67 16.06 169.23 144.57 14.66 169.01 143.62 15.36 2 0 5.12 -999 ? C2 EDO A 306 >PRO.B 55 166.71 145.91 18.05 166.16 144.23 16.69 166.44 145.07 17.37 3 0 7.29 -999 ? C2 EDO A 306 >TYR.B 56 167.44 148.19 14.13 167.68 150.13 16.14 167.56 149.16 15.14 3 0 -3.82 -999 ? C2 EDO A 306s >THR^B 57 164.82 144.59 10.20 162.71 144.63 10.66 163.77 144.61 10.43 2 0 8.17 -999 ? C1 EDO B 301 >MET^B 58 165.46 144.52 6.47 169.28 142.86 6.59 167.37 143.69 6.53 2 0 9.20 -999 ? C1 EDO A 306 >GLU^B 59 161.47 144.84 3.65 160.22 143.37 4.49 160.85 144.10 4.07 2 0 10.00 -999 ? C1 EDO B 301 >VAL^B 60 165.41 140.88 1.20 166.67 140.05 2.76 166.04 140.47 1.98 3 0 10.40 -999 ? O1 EDO B 301 >GLU^B 61 164.43 138.59 -4.47 165.05 139.24 -6.38 164.74 138.91 -5.42 2 0 17.71 -999 ? O1 EDO B 301 >LYS^B 62 164.58 135.16 -1.59 163.56 130.66 2.71 164.07 132.91 0.56 2 0 9.57 -999 ? O1 EDO B 301 >PRO.B 63 166.16 131.66 -3.61 164.32 132.89 -3.72 165.24 132.27 -3.67 3 0 15.01 -999 ? O1 EDO B 301 >VAL.B 64 160.95 130.24 -3.91 159.45 130.82 -2.45 160.20 130.53 -3.18 3 0 15.43 -999 ? O1 EDO B 301 >ASN.B 70 159.51 131.82 -8.68 158.00 132.63 -7.41 158.76 132.23 -8.05 2 0 19.48 -999 ? O1 EDO B 301 >THR.B 71 161.49 134.90 -5.78 163.15 135.96 -6.67 162.32 135.43 -6.22 2 0 17.60 -999 ? O1 EDO B 301 >GLU^B 72 158.82 134.71 -2.23 159.63 134.62 -0.29 159.22 134.66 -1.26 2 0 12.04 -999 ? O1 EDO B 301 >MET^B 73 160.36 139.60 -0.53 162.12 141.70 -2.23 161.24 140.65 -1.38 2 0 14.47 -999 ? C1 EDO B 301 >VAL^B 74 160.70 138.53 3.10 161.61 136.57 2.76 161.15 137.55 2.93 3 0 8.56 -999 ? C1 EDO B 301 >THR^B 75 161.48 140.33 6.35 160.22 141.77 7.36 160.85 141.05 6.86 2 0 7.07 -999 ? C1 EDO B 301 >ARG^B 76 165.28 136.39 7.30 163.11 134.85 5.76 164.19 135.62 6.53 2 0 5.27 -999 ? O1 EDO B 301 >ASN^B 77 166.39 139.99 12.84 164.56 139.62 13.87 165.48 139.81 13.35 2 0 -4.44 -999 ? C1 EDO B 301s >GLN.B 78 168.80 144.95 9.89 169.42 146.98 10.18 169.11 145.96 10.04 2 0 -3.79 -999 ? C1 EDO A 306s >SER.B 79 171.58 140.07 12.28 172.64 141.60 13.86 172.11 140.84 13.07 2 0 7.40 -999 ? O2 EDO A 306 >THR^B 80 171.81 137.20 14.76 170.50 135.74 13.80 171.15 136.47 14.28 2 0 4.02 -999 ? N2 GUN B 210 >LEU^B 81 175.18 137.37 17.91 177.09 137.59 18.88 176.14 137.48 18.40 3 0 8.06 -999 ? N2 GUN B 210 >ILE^B 82 174.79 131.59 18.06 174.50 130.76 16.96 174.65 131.18 17.51 3 0 -4.39 -999 ? N2 GUN B 210s >TYR^B 83 178.49 132.34 23.22 179.56 134.44 24.72 179.02 133.39 23.97 3 0 7.47 -999 ? C2 EDO A 304 >TYR^B 84 178.63 126.40 17.34 178.22 123.81 16.34 178.42 125.10 16.84 3 0 8.25 -999 ? O6 GUN B 210 >LEU^B 85 180.58 125.35 22.87 181.85 124.87 24.55 181.21 125.11 23.71 3 0 8.42 -999 ? C1 EDO A 304 >LEU^B 86 183.01 121.58 19.14 182.06 121.48 17.20 182.53 121.53 18.17 3 0 13.60 -999 ? O6 GUN B 210 >THR.B 87 183.22 119.36 23.19 181.49 119.76 24.42 182.35 119.56 23.81 2 0 12.43 -999 ? C1 EDO A 304 >PRO.B 88 186.15 116.75 25.03 184.42 116.49 23.65 185.28 116.62 24.34 3 0 14.86 -999 ? C1 EDO A 304 >ASP.B 89 180.26 114.65 25.36 179.58 116.62 25.61 179.92 115.64 25.49 2 0 15.68 -999 ? C1 EDO A 304 >SER.B 90 179.78 116.44 21.03 177.80 117.67 20.33 178.79 117.05 20.68 2 0 13.32 -999 ? O6 GUN B 210 >PRO.B 91 183.25 114.81 18.97 182.36 116.82 19.30 182.81 115.82 19.13 3 0 17.33 -999 ? O6 GUN B 210 >ILE^B 92 180.93 116.18 14.76 181.46 115.50 14.60 181.20 115.84 14.68 3 0 15.64 -999 ? O6 GUN B 210 >GLY^B 93 179.12 120.20 13.93 179.50 119.50 13.44 179.31 119.85 13.68 1 0 11.10 -999 ? O6 GUN B 210 >LYS^B 94 177.45 118.24 11.12 174.43 113.27 13.66 175.94 115.76 12.39 2 0 14.77 -999 ? O6 GUN B 210 >PHE^B 95 178.73 118.34 5.91 181.38 117.88 5.11 180.05 118.11 5.51 3 0 16.10 -999 ? O6 GUN B 210 >HIS^B 96 174.81 123.50 9.33 175.87 124.95 10.41 175.34 124.22 9.87 3 0 7.42 -999 ? O6 GUN B 210 >LYS^B 97 174.08 125.20 4.84 172.29 123.74 -0.48 173.19 124.47 2.18 2 0 15.76 -999 ? O6 GUN B 210 >ASN^B 98 172.85 129.50 6.09 171.31 130.84 6.71 172.08 130.17 6.40 2 0 8.52 -999 ? N1 GUN B 210 >ILE.B 99 170.04 131.50 1.73 168.88 131.65 0.85 169.46 131.58 1.29 3 0 11.80 -999 ? O1 EDO B 301 >ASN.B 100 172.64 134.55 4.97 170.64 135.11 4.50 171.64 134.83 4.73 2 0 9.30 -999 ? O1 EDO B 301 >ARG.B 101 178.06 137.57 3.08 180.92 138.58 3.59 179.49 138.08 3.34 2 0 11.80 -999 ? OXT ACY A 307 >ILE^B 102 177.77 132.22 8.64 176.88 131.43 9.54 177.33 131.82 9.09 3 0 9.12 -999 ? N2 GUN B 210 >ILE^B 103 180.84 136.84 10.34 181.08 138.18 10.23 180.96 137.51 10.29 3 0 10.41 -999 ? CH3 ACY A 307 >HIS^B 104 182.16 131.01 11.23 180.76 130.13 9.93 181.46 130.57 10.58 3 0 11.62 -999 ? N1 GUN B 210 >ILE^B 105 184.49 135.85 15.92 185.22 136.93 15.24 184.86 136.39 15.58 3 0 11.54 -999 ? CH3 ACY A 307 >LEU^B 106 188.70 131.83 16.84 189.86 130.31 17.86 189.28 131.07 17.35 3 0 8.10 -999 ? O1 EDO B 305 >GLN^B 107 185.07 134.21 20.95 183.36 134.87 22.04 184.21 134.54 21.49 2 0 7.47 -999 ? C1 EDO A 304 >ARG^B 108 188.96 131.39 25.68 191.63 132.88 25.35 190.29 132.14 25.52 2 0 -6.41 -999 ? O1 EDO A 304s >GLY^B 109 190.24 126.46 21.83 190.34 127.06 21.38 190.29 126.76 21.60 1 0 9.09 -999 ? O1 EDO A 304 >LYS.B 110 190.94 124.85 18.45 195.97 126.30 18.39 193.46 125.58 18.42 2 0 8.92 -999 ? O1 EDO B 305 >GLY^B 111 188.96 123.22 15.68 189.57 123.66 15.32 189.26 123.44 15.50 1 0 13.94 -999 ? O1 EDO B 305 >GLN^B 112 189.96 121.01 10.16 191.50 119.55 9.85 190.73 120.28 10.01 2 0 17.53 -999 ? O1 EDO B 305 >TYR^B 113 185.08 125.26 10.06 183.51 126.26 12.13 184.29 125.76 11.10 3 0 14.05 -999 ? O6 GUN B 210 >VAL^B 114 185.31 121.26 6.11 185.61 119.11 6.00 185.46 120.19 6.06 3 0 18.53 -999 ? O6 GUN B 210 >LEU^B 115 183.93 124.64 3.11 183.97 126.20 4.61 183.95 125.42 3.86 3 0 17.17 -999 ? O6 GUN B 210 >VAL^B 116 181.67 121.52 0.51 181.06 119.43 0.51 181.37 120.47 0.51 3 0 19.06 -999 ? O6 GUN B 210 >TYR.B 117 182.68 125.71 -2.21 184.29 127.38 -0.64 183.48 126.55 -1.43 3 0 20.54 -999 ? O6 GUN B 210 >PRO.B 118 177.81 125.72 -4.86 178.27 123.69 -4.05 178.04 124.71 -4.46 3 0 20.70 -999 ? O6 GUN B 210 >ASP.B 119 181.60 123.76 -7.35 182.78 123.29 -9.03 182.19 123.52 -8.19 2 0 26.94 -999 ? O6 GUN B 210 >GLY.B 120 181.52 119.69 -5.21 181.96 120.41 -5.10 181.74 120.05 -5.15 1 0 23.95 -999 ? O6 GUN B 210 >GLN.B 121 186.57 123.12 -3.95 186.93 125.20 -4.27 186.75 124.16 -4.11 2 0 24.87 -999 ? O1 EDO B 305 >VAL^B 122 186.06 120.47 -0.71 185.66 118.53 0.18 185.86 119.50 -0.27 3 0 22.71 -999 ? O6 GUN B 210 >LYS^B 123 188.11 122.86 1.40 191.99 124.78 -1.70 190.05 123.82 -0.15 2 0 21.38 -999 ? O1 EDO B 305 >SER^B 124 189.46 122.27 4.90 189.71 120.50 6.54 189.58 121.39 5.72 2 0 18.84 -999 ? O1 EDO B 305 >PHE^B 125 189.83 126.56 7.05 187.29 127.64 7.51 188.56 127.10 7.28 3 0 14.45 -999 ? O1 EDO B 305 >LYS^B 126 192.25 124.77 10.99 196.28 119.93 11.79 194.26 122.35 11.39 2 0 15.82 -999 ? O1 EDO B 305 >VAL^B 127 191.10 127.38 13.49 189.07 128.17 13.58 190.09 127.78 13.54 3 0 10.02 -999 ? O1 EDO B 305 >GLY.B 128 193.30 128.68 16.29 193.25 129.28 15.65 193.28 128.98 15.97 1 0 7.02 -999 ? O1 EDO B 305 >PHE.B 129 194.03 132.74 19.14 191.48 133.53 19.99 192.76 133.13 19.57 3 0 -4.22 -999 ? O2 EDO B 305s >ASP~B 130 199.25 128.99 16.13 201.33 128.86 15.77 200.29 128.93 15.95 2 0 7.99 -999 ? O1 EDO B 305 >TYR~B 131 199.07 134.73 12.80 201.05 136.56 13.55 200.06 135.64 13.17 3 0 5.05 -999 ? C1 EDO B 305 >LYS~B 132 202.07 131.49 12.04 205.05 135.80 11.06 203.56 133.65 11.55 2 0 10.18 -999 ? C1 EDO B 305 >ASN~B 133 201.08 126.91 12.70 203.01 126.66 13.56 202.04 126.79 13.13 2 0 11.13 -999 ? O1 EDO B 305 >GLY~B 134 198.26 128.52 9.02 198.15 128.61 9.77 198.21 128.56 9.40 1 0 10.14 -999 ? O1 EDO B 305 >GLU.B 135 196.47 127.26 13.49 196.42 126.80 15.56 196.45 127.03 14.52 2 0 8.28 -999 ? O1 EDO B 305 >VAL.B 136 192.86 131.49 11.34 192.01 130.95 9.40 192.43 131.22 10.37 3 0 8.23 -999 ? O1 EDO B 305 >SER.B 137 190.73 133.26 13.96 192.01 135.26 14.49 191.37 134.26 14.22 2 0 4.78 -999 ? O1 EDO B 305 >GLN^B 138 188.45 137.27 12.40 188.53 139.29 11.71 188.49 138.28 12.06 2 0 9.94 -999 ? OXT ACY A 307 >TRP^B 139 185.16 129.81 9.42 186.33 130.19 13.16 185.74 130.00 11.29 3 0 12.83 -999 ? O1 EDO B 305 >VAL^B 140 183.48 133.78 6.47 182.86 135.80 5.95 183.17 134.79 6.21 3 0 13.67 -999 ? OXT ACY A 307 >VAL^B 141 181.61 130.93 4.83 181.39 128.87 5.56 181.50 129.90 5.19 3 0 14.50 -999 ? O6 GUN B 210 >PRO.B 142 181.86 132.02 0.68 180.23 131.84 2.18 181.04 131.93 1.43 3 0 17.25 -999 ? N1 GUN B 210 >GLY.B 143 176.03 131.28 1.48 176.66 131.07 0.94 176.34 131.17 1.21 1 0 14.71 -999 ? N1 GUN B 210 >GLY.B 144 175.09 128.03 -0.24 175.68 128.07 0.31 175.39 128.05 0.03 1 0 15.57 -999 ? O6 GUN B 210 >VAL.B 145 178.21 126.31 1.08 180.26 127.00 0.82 179.24 126.65 0.95 3 0 16.17 -999 ? O6 GUN B 210 >PHE^B 146 176.15 121.46 2.47 173.49 120.87 1.85 174.82 121.16 2.16 3 0 14.66 -999 ? O6 GUN B 210 >LYS^B 147 179.96 123.51 6.36 178.46 128.42 10.06 179.21 125.96 8.21 2 0 8.98 -999 ? O6 GUN B 210 >ALA^B 148 180.96 121.10 9.08 181.01 119.65 8.60 180.98 120.37 8.84 2 0 14.26 -999 ? O6 GUN B 210 >SER^B 149 183.43 121.39 11.93 182.12 122.69 13.51 182.77 122.04 12.72 2 0 12.35 -999 ? O6 GUN B 210 >PHE^B 150 186.70 117.74 12.91 188.99 117.72 11.30 187.84 117.73 12.10 3 0 19.76 -999 ? O1 EDO B 305 >LEU^B 151 186.48 118.98 18.96 187.14 119.57 20.92 186.81 119.28 19.94 3 0 14.36 -999 ? C1 EDO A 304 >LEU.B 152 191.60 120.49 16.87 192.11 120.34 14.78 191.86 120.41 15.83 3 0 15.29 -999 ? O1 EDO B 305 >PRO.B 153 193.95 116.99 19.34 192.35 118.34 20.10 193.15 117.66 19.72 3 0 17.41 -999 ? O1 EDO A 304 >ASN~B 154 193.33 122.51 22.21 191.30 122.97 22.71 192.31 122.74 22.46 2 0 11.12 -999 ? O1 EDO A 304 >GLU~B 155 196.04 119.20 26.94 194.49 118.05 27.81 195.27 118.63 27.37 2 0 15.18 -999 ? O1 EDO A 304 >GLU~B 156 193.91 125.68 24.23 194.36 126.95 22.61 194.13 126.32 23.42 2 0 9.24 -999 ? O2 EDO B 305 >PHE~B 157 188.52 126.27 25.85 185.97 127.31 26.40 187.25 126.79 26.13 3 0 5.02 -999 ? O1 EDO A 304 >ASP~B 158 189.28 121.74 29.37 188.85 119.91 30.33 189.06 120.82 29.85 2 0 11.39 -999 ? O1 EDO A 304 >ASN.B 159 189.51 118.72 24.84 191.45 117.84 24.98 190.48 118.28 24.91 2 0 14.52 -999 ? O1 EDO A 304 >GLY.B 160 186.81 122.73 23.94 187.58 122.84 23.53 187.20 122.79 23.73 1 0 9.37 -999 ? C1 EDO A 304 >PHE^B 161 186.31 124.82 18.34 186.48 126.19 15.90 186.39 125.50 17.12 3 0 12.33 -999 ? C1 EDO A 304 >LEU^B 162 184.25 128.76 22.83 182.69 129.97 23.70 183.47 129.36 23.27 3 0 5.44 -999 ? C1 EDO A 304 >ILE^B 163 183.41 130.04 17.24 183.30 129.00 16.25 183.35 129.52 16.74 3 0 11.63 -999 ? C1 EDO A 304 >SER^B 164 180.79 133.31 17.93 180.92 134.85 19.81 180.85 134.08 18.87 2 0 10.16 -999 ? C1 EDO A 304 >GLU^B 165 179.04 130.80 14.13 178.00 129.11 13.41 178.52 129.96 13.77 2 0 7.44 -999 ? N1 GUN B 210 >VAL^B 166 177.08 136.33 13.15 177.57 138.38 13.72 177.33 137.35 13.43 3 0 8.58 -999 ? N2 GUN B 210 >VAL^B 167 174.52 135.78 10.39 173.49 133.87 10.16 174.01 134.83 10.27 3 0 6.68 -999 ? N2 GUN B 210 >VAL.B 168 173.45 138.71 8.18 174.46 140.63 8.49 173.96 139.67 8.34 3 0 10.68 -999 ? O2 EDO A 306 >PRO.B 169 169.88 139.35 5.22 171.12 138.72 6.97 170.50 139.04 6.09 3 0 8.86 -999 ? O1 EDO B 301 >GLY.B 170 169.68 137.25 10.74 169.48 137.02 10.02 169.58 137.14 10.38 1 0 6.00 -999 ? O1 EDO B 301 >PHE.B 171 169.41 131.17 11.99 168.62 128.49 11.77 169.02 129.83 11.88 3 0 3.72 -999 ? N1 GUN B 210s >ASP~B 172 165.13 133.05 8.95 163.03 132.71 8.90 164.08 132.88 8.93 2 0 3.62 -999 ? C1 EDO B 302s >PHE~B 173 164.25 127.42 11.76 164.99 127.01 14.42 164.62 127.21 13.09 3 0 3.90 -999 ? O1 EDO B 302s >GLU~B 174 161.30 130.35 6.30 160.08 131.94 5.62 160.69 131.15 5.96 2 0 7.43 -999 ? C1 EDO B 302 >ASP.B 175 167.79 131.20 5.18 166.39 132.78 5.06 167.09 131.99 5.12 2 0 6.94 -999 ? O1 EDO B 301 >HIS^B 176 169.58 125.78 8.83 171.11 124.67 9.75 170.34 125.22 9.29 3 0 5.95 -999 ? O6 GUN B 210 >THR^B 177 169.46 123.39 5.15 169.05 123.19 3.03 169.25 123.29 4.09 2 0 12.62 -999 ? O6 GUN B 210 >PHE^B 178 169.36 119.17 8.23 166.87 117.88 8.34 168.12 118.53 8.28 3 0 11.43 -999 ? O6 GUN B 210 >LEU.B 179 174.19 117.54 4.41 175.32 116.12 3.24 174.76 116.83 3.83 3 0 15.79 -999 ? O6 GUN B 210 >LYS~B 180 171.01 114.22 4.80 165.42 112.81 4.16 168.21 113.52 4.48 2 0 18.94 -999 ? O6 GUN B 210 >GLY~B 181 173.51 111.39 5.30 173.52 111.96 4.78 173.51 111.68 5.04 1 0 18.90 -999 ? O6 GUN B 210 >GLU~B 182 177.74 108.60 4.18 178.77 106.75 4.19 178.25 107.68 4.18 2 0 24.63 -999 ? O6 GUN B 210 >ASP~B 183 171.85 109.64 0.65 171.47 107.96 1.87 171.66 108.80 1.26 2 0 23.45 -999 ? O6 GUN B 210 >GLU~B 184 172.50 115.93 -0.45 171.44 117.36 0.69 171.97 116.64 0.12 2 0 17.37 -999 ? O6 GUN B 210 >LEU~B 185 177.47 113.36 1.61 179.53 113.50 2.25 178.50 113.43 1.93 3 0 20.54 -999 ? O6 GUN B 210 >LYS~B 186 177.87 111.24 -2.27 177.33 105.33 -4.58 177.60 108.28 -3.43 2 0 30.16 -999 ? O6 GUN B 210 >HIS~B 187 173.77 112.19 -4.98 172.74 110.36 -5.06 173.25 111.27 -5.02 3 0 25.71 -999 ? O6 GUN B 210 >LEU~B 188 177.86 117.14 -2.80 176.42 118.66 -2.32 177.14 117.90 -2.56 3 0 20.78 -999 ? O6 GUN B 210 >VAL~B 189 181.49 114.90 -3.86 182.85 114.60 -2.19 182.17 114.75 -3.02 3 0 24.65 -999 ? O6 GUN B 210 >GLY.B 190 183.10 111.71 -5.15 182.70 111.89 -4.44 182.90 111.80 -4.79 1 0 28.22 -999 ? O6 GUN B 210 >PRO.B 191 182.32 107.47 -5.78 181.92 108.97 -4.19 182.12 108.22 -4.99 3 0 29.83 -999 ? O6 GUN B 210 >GLU~B 192 186.68 108.89 -3.86 188.42 108.60 -5.02 187.55 108.75 -4.44 2 0 32.53 -999 ? O6 GUN B 210 >LYS~B 193 185.28 111.29 -0.55 189.26 114.87 0.65 187.27 113.08 0.05 2 0 26.43 -999 ? O6 GUN B 210 >ALA~B 194 181.81 110.83 0.95 180.57 110.42 0.16 181.19 110.63 0.56 2 0 24.51 -999 ? O6 GUN B 210 >ALA~B 195 183.32 107.88 2.79 183.96 106.68 2.11 183.64 107.28 2.45 2 0 27.70 -999 ? O6 GUN B 210 >GLU~B 196 188.04 111.66 4.28 189.58 112.57 3.15 188.81 112.12 3.71 2 0 26.64 -999 ? O6 GUN B 210 >LEU~B 197 183.43 114.06 4.34 184.95 115.45 3.67 184.19 114.76 4.00 3 0 21.38 -999 ? O6 GUN B 210 >ALA~B 198 180.85 110.51 6.24 180.87 109.00 6.01 180.86 109.76 6.13 2 0 22.82 -999 ? O6 GUN B 210 >PHE~B 199 183.85 111.86 10.45 185.87 113.76 10.04 184.86 112.81 10.25 3 0 20.83 -999 ? O6 GUN B 210 >LEU~B 200 181.54 115.75 8.69 183.43 116.48 9.44 182.49 116.11 9.07 3 0 17.28 -999 ? O6 GUN B 210 >ALA~B 201 177.15 114.15 7.87 177.16 113.90 6.37 177.16 114.03 7.12 2 0 17.21 -999 ? O6 GUN B 210 >HIS.B 202 173.23 109.98 8.99 171.78 108.69 9.81 172.50 109.33 9.40 3 0 19.06 -999 ? O6 GUN B 210 >ALA.C 9 177.72 134.29 41.08 178.16 135.71 41.42 177.94 135.00 41.25 2 0 13.97 -999 ? O2 EDO A 304 >ASN.C 10 176.47 130.55 43.92 175.86 129.02 42.58 176.17 129.79 43.25 2 0 16.25 -999 ? C2 EDO A 304 >ALA.C 11 173.88 133.74 46.07 172.45 134.22 45.86 173.16 133.98 45.97 2 0 20.57 -999 ? O2 EDO A 304 >ALA.C 12 174.49 132.40 49.56 175.20 133.14 50.71 174.85 132.77 50.14 2 0 23.38 -999 ? O2 EDO A 304 >ILE.C 13 171.38 128.89 50.54 170.76 127.81 49.84 171.07 128.35 50.19 3 0 21.32 -999 ? C8 GUN C 210 >GLU.C 14 172.83 133.16 54.02 174.05 134.79 54.58 173.44 133.98 54.30 2 0 27.44 -999 ? O2 EDO A 304 >PRO.C 15 167.55 129.16 55.15 167.52 131.33 54.62 167.53 130.24 54.89 3 0 22.50 -999 ? C8 GUN C 210 >ALA~C 16 165.05 133.84 57.07 164.36 135.11 56.59 164.70 134.48 56.83 2 0 24.44 -999 ? C8 GUN C 210 >SER~C 17 162.70 133.16 60.00 161.47 135.26 60.21 162.09 134.21 60.11 2 0 26.33 -999 ? C8 GUN C 210 >PHE~C 18 158.07 134.16 57.71 156.60 136.23 58.92 157.33 135.20 58.32 3 0 23.92 -999 ? C8 GUN C 210 >VAL~C 19 161.53 129.70 55.81 162.66 129.91 53.95 162.10 129.80 54.88 3 0 19.61 -999 ? C8 GUN C 210 >LYS~C 20 163.08 128.11 58.90 166.77 131.71 59.80 164.92 129.91 59.35 2 0 26.38 -999 ? C8 GUN C 210 >VAL~C 21 159.87 128.26 60.94 160.10 128.22 63.10 159.98 128.24 62.02 3 0 24.76 -999 ? C8 GUN C 210 >PRO.C 22 156.88 126.46 58.44 157.33 128.53 59.13 157.10 127.49 58.78 3 0 20.98 -999 ? C8 GUN C 210 >MET.C 23 153.68 130.71 60.01 151.76 134.31 59.09 152.72 132.51 59.55 2 0 24.01 -999 ? N7 GUN C 210 >PRO.C 24 150.18 129.99 62.56 151.18 129.01 60.82 150.68 129.50 61.69 3 0 24.22 -999 ? N7 GUN C 210 >GLU.C 25 146.26 129.39 59.51 146.14 127.72 58.22 146.20 128.55 58.87 2 0 21.20 -999 ? O6 GUN C 210 >PRO.C 26 147.33 131.86 54.33 148.73 132.34 56.00 148.03 132.10 55.17 3 0 20.17 -999 ? N7 GUN C 210 >PRO~C 27 150.54 136.96 55.22 148.88 135.98 56.34 149.71 136.47 55.78 3 0 22.97 -999 ? C8 GUN C 210 >SER~C 28 145.25 138.23 55.86 144.47 139.09 57.98 144.86 138.66 56.92 2 0 27.52 -999 ? O6 GUN C 210 >SER~C 29 146.25 139.91 52.59 148.65 140.30 52.54 147.45 140.11 52.56 2 0 23.75 -999 ? N9 GUN C 210 >LEU~C 30 149.01 136.07 51.58 150.90 136.84 50.83 149.95 136.45 51.20 3 0 19.77 -999 ? C8 GUN C 210 >GLN~C 31 143.21 133.41 54.15 143.84 131.40 53.78 143.53 132.40 53.97 2 0 19.76 -999 ? O6 GUN C 210 >GLN~C 32 141.85 138.64 52.29 141.35 140.71 52.42 141.60 139.68 52.35 2 0 25.97 -999 ? N1 GUN C 210 >LEU~C 33 145.79 136.83 47.27 146.77 137.17 45.37 146.28 137.00 46.32 3 0 18.04 -999 ? N2 GUN C 210 >ILE~C 34 145.06 131.92 49.07 145.97 131.05 49.67 145.51 131.48 49.37 3 0 16.15 -999 ? O6 GUN C 210 >ASN~C 35 139.89 132.98 49.65 140.44 132.03 51.48 140.16 132.50 50.56 2 0 19.90 -999 ? O6 GUN C 210 >ASP~C 36 140.02 136.46 45.70 139.21 137.48 47.37 139.61 136.97 46.54 2 0 21.63 -999 ? N2 GUN C 210 >TRP~C 37 142.66 136.11 42.35 146.35 136.95 41.27 144.50 136.53 41.81 3 0 15.84 -999 ? N2 GUN C 210 >GLN~C 38 139.46 127.98 43.69 137.75 127.46 42.51 138.61 127.72 43.10 2 0 14.78 -999 ? N1 GUN C 210 >LEU.C 39 145.98 129.94 45.06 146.71 131.46 43.71 146.34 130.70 44.38 3 0 12.21 -999 ? N1 GUN C 210 >ILE^C 40 144.92 124.28 45.38 143.76 123.89 46.20 144.34 124.09 45.79 3 0 9.93 -999 ? O6 GUN C 210 >LYS^C 41 148.46 124.39 48.23 149.77 124.50 54.00 149.11 124.44 51.11 2 0 15.63 -999 ? N7 GUN C 210 >HIS.C 42 152.34 122.14 43.99 152.88 120.92 42.37 152.61 121.53 43.18 3 0 -4.09 -999 ? N7 GUN C 210s >ARG.C 43 152.98 115.39 45.72 153.78 114.49 42.90 153.38 114.94 44.31 2 0 7.50 -999 ? N7 GUN C 210 >GLU.C 44 157.29 119.43 44.79 156.06 117.84 44.16 156.68 118.64 44.47 2 0 6.52 -999 ? N7 GUN C 210 >GLY.C 45 154.83 123.50 48.67 154.58 123.48 47.86 154.71 123.49 48.27 1 0 9.96 -999 ? N7 GUN C 210 >GLY.C 46 153.41 126.90 47.76 152.93 126.23 47.91 153.17 126.57 47.84 1 0 10.40 -999 ? C8 GUN C 210 >TYR^C 47 148.99 128.69 48.49 148.61 128.38 51.25 148.80 128.53 49.87 3 0 13.83 -999 ? N7 GUN C 210 >PHE^C 48 149.54 125.09 41.72 148.33 122.64 41.09 148.94 123.87 41.40 3 0 4.67 -999 ? O6 GUN C 210 >LYS^C 49 146.57 127.36 39.91 141.30 127.85 39.67 143.94 127.60 39.79 2 0 10.87 -999 ? N2 GUN C 210 >GLU^C 50 146.78 124.92 34.16 146.81 122.93 33.44 146.79 123.92 33.80 2 0 -3.83 -999 ? N2 GUN C 210s >THR^C 51 145.15 129.40 34.56 146.23 131.03 35.46 145.69 130.22 35.01 2 0 8.72 -999 ? N2 GUN C 210 >ASP^C 52 146.27 129.71 30.19 145.99 129.59 28.07 146.13 129.65 29.13 2 0 10.49 -999 ? N2 GUN C 210 >ARG^C 53 145.67 121.52 29.63 148.17 120.29 30.93 146.92 120.91 30.28 2 0 -5.64 -999 ? N2 GUN C 210s >SER.C 54 146.62 125.97 25.22 147.61 126.43 23.08 147.12 126.20 24.15 2 0 12.90 -999 ? N2 GUN C 210 >PRO.C 55 143.20 126.52 22.53 144.29 124.83 23.48 143.75 125.67 23.00 3 0 14.08 -999 ? N2 GUN C 210 >TYR.C 56 146.21 126.15 19.16 144.32 127.96 18.14 145.26 127.06 18.65 3 0 -17.18 -999 ? O2 EDO B 302s >THR^C 57 148.61 120.85 20.33 147.05 119.41 19.99 147.83 120.13 20.16 2 0 15.41 -999 ? C1 EDO C 303 >MET^C 58 151.96 119.51 19.20 154.37 121.91 21.59 153.16 120.71 20.39 2 0 7.99 -999 ? C1 EDO C 303 >GLU^C 59 151.89 115.17 16.94 150.68 114.11 18.30 151.28 114.64 17.62 2 0 14.45 -999 ? O1 EDO C 303 >VAL^C 60 156.51 115.25 20.85 156.89 116.50 22.58 156.70 115.87 21.72 3 0 7.51 -999 ? O1 EDO C 303 >GLU.C 61 159.73 112.99 18.08 161.33 113.20 16.72 160.53 113.10 17.40 2 0 11.19 -999 ? O1 EDO C 303 >LYS.C 62 159.55 110.68 23.82 155.49 110.22 28.05 157.52 110.45 25.94 2 0 11.62 -999 ? O1 EDO C 303 >GLU.C 72 156.05 105.17 21.74 154.37 104.36 22.73 155.21 104.77 22.23 2 0 17.33 -999 ? O1 EDO C 303 >MET.C 73 155.04 110.31 19.38 156.96 111.71 17.28 156.00 111.01 18.33 2 0 12.63 -999 ? O1 EDO C 303 >VAL^C 74 152.78 111.81 22.05 153.92 111.28 23.83 153.35 111.54 22.94 3 0 12.05 -999 ? O1 EDO C 303 >THR^C 75 150.42 114.77 21.97 148.61 114.96 20.82 149.51 114.86 21.39 2 0 14.78 -999 ? O1 EDO C 303 >ARG^C 76 152.99 116.71 26.73 153.23 113.68 27.15 153.11 115.19 26.94 2 0 10.51 -999 ? O1 EDO C 303 >ASN^C 77 148.35 121.58 25.88 146.58 120.48 26.25 147.47 121.03 26.06 2 0 -10.13 -999 ? N2 GUN C 210s >GLN.C 78 150.92 123.98 20.76 150.73 125.36 19.14 150.83 124.67 19.95 2 0 12.91 -999 ? O2 EDO C 303 >SER.C 79 151.72 125.43 26.62 150.82 127.64 26.08 151.27 126.53 26.35 2 0 10.26 -999 ? N2 GUN C 210 >THR^C 80 150.46 125.77 30.18 150.78 123.74 30.88 150.62 124.75 30.53 2 0 4.52 -999 ? N2 GUN C 210 >LEU^C 81 149.81 130.07 31.84 150.08 132.14 32.41 149.94 131.11 32.12 3 0 8.50 -999 ? N2 GUN C 210 >ILE^C 82 150.77 127.66 37.06 151.65 126.59 37.32 151.21 127.12 37.19 3 0 -4.28 -999 ? N3 GUN C 210s >TYR^C 83 148.54 133.28 39.06 147.46 135.63 37.98 148.00 134.45 38.52 3 0 11.86 -999 ? N2 GUN C 210 >TYR^C 84 154.56 128.46 42.25 155.65 126.69 44.13 155.11 127.58 43.19 3 0 7.39 -999 ? C8 GUN C 210 >LEU^C 85 151.41 132.32 45.59 150.95 133.94 46.94 151.18 133.13 46.26 3 0 13.90 -999 ? N9 GUN C 210 >LEU^C 86 156.58 131.22 48.10 157.63 129.51 47.26 157.11 130.36 47.68 3 0 12.72 -999 ? C8 GUN C 210 >THR.C 87 153.88 132.61 51.59 151.89 131.86 51.34 152.88 132.23 51.46 2 0 16.32 -999 ? C8 GUN C 210 >PRO.C 88 154.52 135.05 55.12 154.72 132.90 54.59 154.62 133.98 54.85 3 0 20.21 -999 ? C8 GUN C 210 >ASP.C 89 151.49 129.65 56.13 150.49 129.87 54.28 150.99 129.76 55.21 2 0 17.75 -999 ? N7 GUN C 210 >SER.C 90 154.23 127.80 52.82 153.34 126.19 51.22 153.79 127.00 52.02 2 0 13.13 -999 ? N7 GUN C 210 >PRO.C 91 158.15 128.85 54.31 157.03 129.17 52.40 157.59 129.01 53.36 3 0 16.61 -999 ? C8 GUN C 210 >ILE^C 92 160.02 125.68 51.10 161.13 125.14 51.73 160.58 125.41 51.41 3 0 14.55 -999 ? C8 GUN C 210 >GLY^C 93 158.88 125.14 46.78 159.62 124.99 47.32 159.25 125.06 47.05 1 0 9.81 -999 ? C8 GUN C 210 >LYS^C 94 160.53 121.71 47.04 160.96 120.63 52.59 160.74 121.17 49.81 2 0 15.32 -999 ? C8 GUN C 210 >PHE^C 95 165.37 120.36 45.16 167.60 121.94 45.79 166.49 121.15 45.47 3 0 13.88 -999 ? C8 GUN C 210 >HIS^C 96 159.38 120.53 40.99 158.80 122.53 40.75 159.09 121.53 40.87 3 0 5.20 -999 ? C8 GUN C 210 >LYS^C 97 162.24 118.84 37.57 166.05 113.84 36.63 164.15 116.34 37.10 2 0 13.15 -999 ? O1 EDO C 303 >ASN^C 98 159.66 119.92 33.90 157.98 119.47 32.66 158.82 119.69 33.28 2 0 7.10 -999 ? N9 GUN C 210 >ILE.C 99 161.10 116.23 30.03 162.08 115.19 29.97 161.59 115.71 30.00 3 0 5.89 -999 ? O1 EDO C 303 >ASN.C 100 159.43 120.92 28.94 158.56 119.27 27.92 159.00 120.09 28.43 2 0 -3.82 -999 ? O1 EDO C 303s >ARG.C 101 163.14 125.72 26.56 164.15 128.63 26.45 163.65 127.18 26.50 2 0 -6.90 -999 ? C2 EDO C 303s >ILE^C 102 159.76 125.94 33.46 158.72 125.34 34.33 159.24 125.64 33.89 3 0 7.14 -999 ? N9 GUN C 210 >ILE^C 103 159.21 130.94 30.54 159.14 131.58 29.34 159.18 131.26 29.94 3 0 9.49 -999 ? O2 EDO C 303 >HIS^C 104 160.51 130.24 36.42 160.95 128.19 36.49 160.73 129.21 36.45 3 0 9.49 -999 ? N9 GUN C 210 >ILE^C 105 157.10 136.07 34.27 156.70 136.63 33.02 156.90 136.35 33.64 3 0 14.40 -999 ? N3 GUN C 210 >LEU^C 106 159.49 138.38 39.12 159.66 139.23 41.11 159.57 138.81 40.12 3 0 17.33 -999 ? N9 GUN C 210 >GLN^C 107 153.63 138.22 37.86 151.66 137.62 37.37 152.65 137.92 37.61 2 0 14.61 -999 ? N2 GUN C 210 >ARG^C 108 151.85 142.09 43.44 151.48 144.32 45.49 151.67 143.20 44.47 2 0 23.17 -999 ? N3 GUN C 210 >GLY^C 109 157.62 140.08 46.10 157.92 140.17 45.38 157.77 140.12 45.74 1 0 19.74 -999 ? N9 GUN C 210 >LYS.C 110 161.05 138.48 46.37 162.80 143.48 45.99 161.92 140.98 46.18 2 0 24.12 -999 ? N9 GUN C 210 >GLY^C 111 162.42 134.95 46.39 162.99 135.45 46.03 162.70 135.20 46.21 1 0 17.24 -999 ? N9 GUN C 210 >GLN^C 112 167.84 132.32 46.66 169.24 132.88 48.19 168.54 132.60 47.42 2 0 20.88 -999 ? C8 GUN C 210 >TYR^C 113 164.28 129.97 41.67 161.52 130.01 41.24 162.90 129.99 41.45 3 0 12.09 -999 ? N9 GUN C 210 >VAL^C 114 168.38 126.87 43.91 169.09 126.26 45.87 168.73 126.56 44.89 3 0 16.39 -999 ? C8 GUN C 210 >LEU^C 115 169.29 125.33 39.54 167.84 126.64 38.62 168.57 125.98 39.08 3 0 14.89 -999 ? C8 GUN C 210 >VAL^C 116 170.71 121.23 40.90 170.77 119.98 42.68 170.74 120.60 41.79 3 0 16.72 -999 ? C8 GUN C 210 >TYR.C 117 172.73 122.13 36.36 171.79 124.63 35.53 172.26 123.38 35.94 3 0 14.69 -999 ? C2 EDO C 303 >PRO.C 118 171.16 116.93 34.72 172.36 117.05 36.59 171.76 116.99 35.65 3 0 14.41 -999 ? O1 EDO C 303 >ASP.C 119 177.13 117.53 35.97 176.44 119.51 35.91 176.79 118.52 35.94 2 0 16.05 -999 ? C2 EDO A 304 >GLY.C 120 175.88 117.89 40.47 175.88 118.46 39.93 175.88 118.17 40.20 1 0 19.82 -999 ? C2 EDO A 304 >GLN.C 121 176.87 123.84 38.82 177.56 124.88 37.09 177.21 124.36 37.95 2 0 12.55 -999 ? C2 EDO A 304 >VAL^C 122 174.42 123.85 42.24 173.86 123.33 44.28 174.14 123.59 43.26 3 0 19.32 -999 ? C2 EDO A 304 >LYS^C 123 173.26 127.36 41.31 175.28 129.44 37.08 174.27 128.40 39.20 2 0 12.34 -999 ? C2 EDO A 304 >SER^C 124 171.43 129.92 43.42 170.61 130.29 45.67 171.02 130.11 44.55 2 0 19.67 -999 ? C8 GUN C 210 >PHE^C 125 169.16 132.75 40.28 167.16 131.28 38.96 168.16 132.02 39.62 3 0 17.05 -999 ? N9 GUN C 210 >LYS^C 126 167.79 135.98 43.89 170.02 137.97 49.48 168.91 136.98 46.68 2 0 25.02 -999 ? C8 GUN C 210 >VAL^C 127 164.56 137.07 42.24 163.20 135.74 41.19 163.88 136.41 41.71 3 0 17.42 -999 ? N9 GUN C 210 >GLY.C 128 163.13 140.56 42.60 163.50 140.50 41.83 163.31 140.53 42.21 1 0 20.73 -999 ? N9 GUN C 210 >PHE.C 129 160.32 143.97 40.35 158.16 142.52 39.32 159.24 143.25 39.84 3 0 21.45 -999 ? N9 GUN C 210 >ASP~C 130 166.35 145.57 43.77 167.88 146.94 44.21 167.11 146.25 43.99 2 0 26.34 -999 ? O2 EDO A 304 >TYR~C 131 167.69 146.14 37.21 167.85 148.76 36.24 167.77 147.45 36.73 3 0 23.33 -999 ? O2 EDO A 304 >LYS~C 132 170.76 147.17 40.14 168.79 153.19 39.91 169.77 150.18 40.03 2 0 26.76 -999 ? C2 EDO A 306 >ASN~C 133 171.10 145.10 44.39 171.69 147.00 45.16 171.39 146.05 44.78 2 0 24.75 -999 ? O2 EDO A 304 >GLY~C 134 171.56 141.61 40.97 170.91 141.87 41.15 171.24 141.74 41.06 1 0 19.46 -999 ? O2 EDO A 304 >GLU.C 135 167.33 141.31 43.61 165.89 142.24 44.85 166.61 141.78 44.23 2 0 24.03 -999 ? N9 GUN C 210 >VAL.C 136 166.23 139.05 38.19 167.47 137.29 37.80 166.85 138.17 38.00 3 0 20.17 -999 ? N9 GUN C 210 >SER.C 137 162.58 139.18 37.10 162.56 141.32 35.92 162.57 140.25 36.51 2 0 20.68 -999 ? N9 GUN C 210 >GLN^C 138 161.51 137.98 32.32 161.80 138.65 30.29 161.66 138.32 31.31 2 0 16.59 -999 ? O2 EDO C 303 >TRP^C 139 163.89 131.40 37.32 161.49 134.21 38.69 162.69 132.80 38.00 3 0 13.38 -999 ? N9 GUN C 210 >VAL^C 140 164.52 130.08 32.40 164.32 129.87 30.24 164.42 129.97 31.32 3 0 9.51 -999 ? O2 EDO C 303 >VAL^C 141 165.23 126.72 34.00 164.91 126.08 36.05 165.07 126.40 35.03 3 0 10.14 -999 ? O2 EDO C 303 >PRO.C 142 168.46 125.34 31.50 166.36 124.70 31.89 167.41 125.02 31.70 3 0 8.66 -999 ? O2 EDO C 303 >GLY.C 143 164.73 120.78 31.23 165.54 120.97 31.38 165.13 120.87 31.30 1 0 6.22 -999 ? O2 EDO C 303 >GLY.C 144 166.20 118.07 33.46 166.12 118.81 33.73 166.16 118.44 33.59 1 0 9.10 -999 ? O1 EDO C 303 >VAL.C 145 167.37 120.52 36.12 168.58 122.30 35.70 167.97 121.41 35.91 3 0 11.72 -999 ? O2 EDO C 303 >PHE^C 146 166.11 117.82 40.67 165.29 115.16 40.44 165.70 116.49 40.56 3 0 12.62 -999 ? C8 GUN C 210 >LYS^C 147 164.66 123.43 40.98 159.85 125.73 37.58 162.25 124.58 39.28 2 0 6.57 -999 ? N9 GUN C 210 >ALA^C 148 163.53 124.65 44.38 164.22 123.94 45.54 163.88 124.29 44.96 2 0 12.18 -999 ? C8 GUN C 210 >SER^C 149 162.67 128.09 45.68 160.43 128.26 44.74 161.55 128.18 45.21 2 0 10.76 -999 ? C8 GUN C 210 >PHE^C 150 164.48 129.91 49.97 167.17 130.70 49.94 165.82 130.31 49.96 3 0 18.19 -999 ? C8 GUN C 210 >LEU^C 151 159.38 133.16 50.98 157.89 134.64 51.39 158.63 133.90 51.18 3 0 17.92 -999 ? C8 GUN C 210 >LEU.C 152 163.69 136.81 49.75 165.60 136.02 49.11 164.64 136.41 49.43 3 0 20.89 -999 ? C8 GUN C 210 >PRO.C 153 163.30 137.92 54.74 162.01 138.33 52.97 162.65 138.13 53.85 3 0 23.79 -999 ? C8 GUN C 210 >ASN.C 154 159.87 141.42 50.13 158.12 140.30 49.68 159.00 140.86 49.90 2 0 21.76 -999 ? N9 GUN C 210 >GLU.C 155 158.87 145.74 54.63 159.35 147.59 55.53 159.11 146.66 55.08 2 0 31.16 -999 ? N9 GUN C 210 >GLU.C 156 157.97 144.21 47.60 159.44 144.53 46.10 158.70 144.37 46.85 2 0 24.12 -999 ? N9 GUN C 210 >PHE.C 157 153.44 140.48 47.39 151.34 138.93 46.37 152.39 139.70 46.88 3 0 19.52 -999 ? N9 GUN C 210 >ASP.C 158 152.11 140.99 52.83 150.99 142.73 53.25 151.55 141.86 53.04 2 0 25.64 -999 ? N9 GUN C 210 >ASN.C 159 156.54 138.23 54.12 157.76 139.52 55.28 157.15 138.87 54.70 2 0 24.52 -999 ? C8 GUN C 210 >GLY.C 160 154.83 136.96 49.67 155.56 137.42 49.54 155.20 137.19 49.60 1 0 18.72 -999 ? N9 GUN C 210 >PHE^C 161 158.48 134.63 45.50 160.28 134.10 43.40 159.38 134.37 44.45 3 0 14.57 -999 ? N9 GUN C 210 >LEU^C 162 152.90 136.54 43.23 151.01 136.10 42.27 151.96 136.32 42.75 3 0 14.73 -999 ? N3 GUN C 210 >ILE^C 163 156.62 133.73 39.75 157.58 132.80 40.24 157.10 133.26 40.00 3 0 11.36 -999 ? N9 GUN C 210 >SER^C 164 153.82 133.11 36.62 152.04 134.65 35.99 152.93 133.88 36.31 2 0 11.60 -999 ? N2 GUN C 210 >GLU^C 165 156.49 128.96 37.00 156.74 127.18 38.12 156.62 128.07 37.56 2 0 5.35 -999 ? N9 GUN C 210 >VAL^C 166 154.97 129.02 31.33 154.36 130.47 29.81 154.66 129.74 30.57 3 0 9.24 -999 ? N3 GUN C 210 >VAL^C 167 155.82 125.44 30.34 155.80 123.84 31.81 155.81 124.64 31.07 3 0 6.65 -999 ? N3 GUN C 210 >VAL.C 168 156.29 124.57 26.65 156.15 126.20 25.19 156.22 125.38 25.92 3 0 -5.47 -999 ? O2 EDO C 303s >PRO.C 169 156.58 120.53 24.31 155.97 122.12 25.74 156.28 121.32 25.02 3 0 4.96 -999 ? O2 EDO C 303 >GLY.C 170 152.47 122.14 28.20 152.95 121.56 28.09 152.71 121.85 28.15 1 0 7.57 -999 ? N2 GUN C 210 >PHE.C 171 152.50 120.22 34.10 152.84 118.43 36.23 152.67 119.33 35.17 3 0 3.77 -999 ? C5 GUN C 210s >ASP~C 172 152.30 116.06 30.34 151.17 114.27 30.16 151.73 115.17 30.25 2 0 10.22 -999 ? N1 GUN C 210s >PHE~C 173 150.77 114.60 36.33 149.09 116.25 37.86 149.93 115.43 37.10 3 0 -5.09 -999 ? O6 GUN C 210s >GLU~C 174 153.02 110.68 30.99 153.53 108.88 31.98 153.28 109.78 31.48 2 0 13.63 -999 ? O6 GUN C 210 >ASP.C 175 157.19 116.00 31.09 156.21 115.47 29.29 156.70 115.73 30.19 2 0 7.80 -999 ? O1 EDO C 303 >HIS^C 176 156.34 116.89 37.73 156.66 117.88 39.55 156.50 117.38 38.64 3 0 4.81 -999 ? C8 GUN C 210 >THR^C 177 159.53 114.22 38.60 161.22 113.65 37.35 160.37 113.94 37.97 2 0 10.68 -999 ? C8 GUN C 210 >PHE^C 178 158.17 114.42 43.73 157.08 112.10 44.90 157.62 113.26 44.31 3 0 10.25 -999 ? N7 GUN C 210 >LEU.C 179 164.07 115.90 44.66 166.22 115.75 44.77 165.14 115.83 44.71 3 0 13.64 -999 ? C8 GUN C 210 >LYS.C 180 162.26 111.87 46.41 161.38 106.29 43.55 161.82 109.08 44.98 2 0 17.34 -999 ? N7 GUN C 210 >GLY~C 181 164.42 112.98 49.33 164.92 112.97 48.71 164.67 112.98 49.02 1 0 16.96 -999 ? C8 GUN C 210 >GLU~C 182 169.43 114.20 52.81 169.58 115.13 54.71 169.51 114.67 53.76 2 0 22.98 -999 ? C8 GUN C 210 >ASP~C 183 168.56 108.99 49.89 168.63 108.28 51.89 168.59 108.63 50.89 2 0 23.55 -999 ? C8 GUN C 210 >GLU~C 184 167.49 111.72 43.89 165.68 111.71 42.81 166.59 111.72 43.35 2 0 15.63 -999 ? C8 GUN C 210 >LEU~C 185 169.49 115.67 47.86 169.62 117.82 47.81 169.56 116.74 47.84 3 0 18.38 -999 ? C8 GUN C 210 >LYS~C 186 173.21 113.26 48.31 172.89 111.32 54.37 173.05 112.29 51.34 2 0 26.34 -999 ? C8 GUN C 210 >HIS~C 187 173.37 109.31 43.50 174.16 108.32 41.83 173.76 108.82 42.67 3 0 23.51 -999 ? O1 EDO C 303 >LEU~C 188 172.38 115.11 42.82 170.91 114.70 41.30 171.65 114.91 42.06 3 0 18.89 -999 ? C8 GUN C 210 >VAL~C 189 175.61 116.88 45.22 173.99 118.25 45.68 174.80 117.57 45.45 3 0 21.92 -999 ? C8 GUN C 210 >GLY~C 190 177.31 114.91 47.98 176.56 115.24 48.12 176.93 115.07 48.05 1 0 25.66 -999 ? C8 GUN C 210 >PRO~C 191 178.78 113.64 51.82 176.89 114.57 51.08 177.83 114.11 51.45 3 0 27.74 -999 ? C8 GUN C 210 >GLU~C 192 180.09 118.00 51.63 182.12 118.57 51.69 181.10 118.29 51.66 2 0 26.32 -999 ? C2 EDO A 304 >LYS~C 193 175.96 120.05 50.17 175.71 125.04 48.10 175.84 122.54 49.13 2 0 22.00 -999 ? C2 EDO A 304 >ALA~C 194 172.94 117.76 50.56 172.96 116.23 50.44 172.95 117.00 50.50 2 0 22.63 -999 ? C8 GUN C 210 >ALA~C 195 172.74 118.62 54.26 173.87 118.43 55.27 173.30 118.52 54.77 2 0 25.75 -999 ? C8 GUN C 210 >GLU~C 196 173.43 124.45 52.27 174.99 125.49 51.31 174.21 124.97 51.79 2 0 24.46 -999 ? C8 GUN C 210 >LEU~C 197 170.27 121.63 49.42 171.35 122.97 48.11 170.81 122.30 48.77 3 0 19.27 -999 ? C8 GUN C 210 >ALA~C 198 167.92 119.31 52.83 168.37 118.64 54.14 168.14 118.97 53.49 2 0 21.00 -999 ? C8 GUN C 210 >PHE~C 199 166.01 124.27 53.67 167.03 126.43 52.20 166.52 125.35 52.94 3 0 19.02 -999 ? C8 GUN C 210 >LEU~C 200 165.36 122.97 49.10 165.75 125.09 49.08 165.56 124.03 49.09 3 0 15.40 -999 ? C8 GUN C 210 >ALA~C 201 163.76 118.52 49.53 164.97 117.61 49.37 164.36 118.06 49.45 2 0 15.53 -999 ? C8 GUN C 210 >HIS.C 202 158.96 116.25 48.84 157.42 117.40 48.01 158.19 116.83 48.42 3 0 11.28 -999 ? N7 GUN C 210