HEADER UNKNOWN FUNCTION 08-DEC-08 3FH1 COMPND UNCHARACTERIZED NTF2-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; SOURCE 3 ORGANISM_COMMON: MESORHIZOBIUM LOTI; SOURCE 4 ORGANISM_TAXID: 381; SOURCE 5 GENE: MLL8193, NP_108339.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 22 8 HET MSE A 100 8 HET MSE A 112 8 HET MSE A 123 16 HET UNL A 129 6 HET CL A 130 1 HET EDO A 131 4 SITE 1 AC1 5 ASN A 26 ASN A 49 TRP A 69 ASN A 110 SITE 1 AC2 4 GLU A 83 ARG A 97 HOH A 179 HOH A 201 SITE 1 AC3 7 PRO A 38 GLU A 39 ILE A 41 ARG A 62 mILE.A 7 16.02 -3.08 67.90 16.88 -3.55 68.11 13.63 -2.69 68.62 13.25 -3.86 68.81 14.73 -2.38 67.57 14.24 -2.69 66.09 3 0 11.84-999 ?-999 ?-999 ? O1 UNL A 129 mTHR^A 8 13.15 -1.66 69.35 13.65 -0.81 69.21 10.70 -1.60 69.45 10.48 -0.54 68.87 11.99 -1.78 70.26 12.00 -0.71 71.37 2 0 14.68-999 ?-999 ?-999 ? O1 UNL A 129 mLEU^A 9 9.86 -2.62 69.36 10.14 -3.43 69.87 7.39 -2.34 69.41 7.12 -3.11 70.33 8.62 -2.52 68.56 8.39 -3.74 67.67 3 0 16.58-999 ?-999 ?-999 ? O1 UNL A 129 mHIS^A 10 6.66 -1.30 69.08 7.07 -0.65 68.44 4.40 -1.90 68.70 4.32 -1.59 67.52 5.35 -1.13 69.64 5.00 0.34 69.72 3 0 19.13-999 ?-999 ?-999 ? O1 UNL A 129 mPRO.A 11 3.68 -2.90 69.23 3.79 -3.05 70.21 1.83 -2.82 67.54 1.09 -2.00 68.13 2.81 -3.70 68.33 2.05 -4.63 69.29 3 0 21.78-999 ?-999 ?-999 ? O1 UNL A 129 mASP.A 12 1.84 -2.97 66.22 2.48 -3.65 65.88 1.06 -2.75 64.00 2.05 -3.38 63.67 0.96 -2.18 65.36 1.39 -0.72 65.30 2 0 22.13-999 ?-999 ?-999 ? O1 UNL A 129 mASP.A 13 0.01 -2.53 63.21 -0.65 -1.89 63.60 1.17 -3.37 61.12 1.57 -4.51 60.81 -0.15 -3.15 61.91 -1.19 -2.34 61.09 2 0 21.80-999 ?-999 ?-999 ? O1 EDO A 131 mARG~A 14 1.80 -2.27 60.76 1.38 -1.42 61.08 4.28 -2.15 60.77 5.35 -1.88 60.21 3.02 -2.34 59.96 2.94 -1.32 58.80 2 0 18.27-999 ?-999 ?-999 ? O1 EDO A 131 mSER~A 15 4.21 -2.28 62.10 3.32 -2.51 62.49 6.59 -2.99 62.41 7.74 -2.51 62.32 5.42 -2.09 62.87 5.16 -2.32 64.36 2 0 17.68-999 ?-999 ?-999 ? O1 UNL A 129 mGLU~A 16 6.33 -4.24 62.09 5.37 -4.51 62.15 8.02 -4.67 60.37 9.23 -4.69 60.22 7.40 -5.13 61.71 6.93 -6.60 61.61 2 0 17.47-999 ?-999 ?-999 ? O1 UNL A 129 mGLN~A 17 7.20 -4.19 59.46 6.23 -4.25 59.71 8.61 -2.45 58.44 9.73 -2.32 57.92 7.71 -3.64 58.19 6.55 -3.28 57.27 2 0 15.26-999 ?-999 ?-999 ? O1 EDO A 131 mTHR~A 18 8.14 -1.50 59.26 7.22 -1.66 59.62 10.27 -0.74 60.24 11.31 -0.16 59.93 8.95 -0.34 59.58 8.12 0.63 60.43 2 0 13.83-999 ?-999 ?-999 ? O1 UNL A 129 mALA~A 19 10.24 -1.72 61.14 9.33 -2.07 61.37 12.47 -2.73 60.65 13.69 -2.47 60.75 11.48 -2.22 61.72 11.23 -3.33 62.79 2 0 12.46-999 ?-999 ?-999 ? O1 UNL A 129 mGLU~A 20 11.96 -3.46 59.67 10.97 -3.61 59.72 13.42 -2.85 57.79 14.59 -2.89 57.40 12.80 -3.98 58.60 11.99 -4.89 57.67 2 0 12.98-999 ?-999 ?-999 ? O1 UNL A 129 mILE~A 21 12.62 -1.82 57.53 11.69 -1.93 57.87 14.21 0.05 57.60 15.28 0.37 57.07 13.12 -0.64 56.80 11.97 0.31 56.46 3 0 11.23-999 ?-999 ?-999 ? O1 UNL A 129 mMETA 22 13.97 0.22 58.90 13.08 -0.11 59.22 16.23 0.05 59.92 17.31 0.60 60.03 14.98 0.88 59.75 14.43 1.28 61.12 2 0 8.01-999 ?-999 ?-999 ? O1 UNL A 129 mARG~A 23 16.08 -1.27 59.93 15.14 -1.59 59.85 18.09 -2.02 58.80 19.32 -2.01 58.88 17.22 -2.15 60.05 16.69 -3.57 60.24 2 0 8.66-999 ?-999 ?-999 ? O1 UNL A 129 mARG~A 24 17.46 -1.85 57.65 16.47 -1.83 57.72 18.84 -0.31 56.29 20.00 -0.17 55.85 18.22 -1.71 56.42 17.32 -2.03 55.22 2 0 9.21-999 ?-999 ?-999 ? O1 UNL A 129 mPHE~A 25 18.07 0.70 56.69 17.15 0.42 56.96 19.74 2.25 57.67 20.77 2.77 57.29 18.53 2.09 56.74 17.39 2.98 57.20 3 0 6.43-999 ?-999 ?-999 ? O1 UNL A 129 mASN~A 26 19.63 1.73 58.88 18.75 1.28 59.06 21.99 1.13 59.33 23.11 1.60 59.55 20.73 1.82 59.84 20.27 1.29 61.19 2 0 -3.88-999 ?-999 ?-999 ? O1 UNL A 129s mASP~A 27 21.82 -0.01 58.64 20.87 -0.30 58.52 23.73 0.05 57.10 24.93 -0.10 57.00 22.96 -0.76 58.12 22.55 -2.06 57.44 2 0 7.07-999 ?-999 ?-999 ? O1 UNL A 129 mVAL~A 28 23.07 0.94 56.37 22.08 0.99 56.54 24.92 2.52 56.13 26.05 2.61 55.62 23.80 1.77 55.41 22.86 2.80 54.72 3 0 7.40-999 ?-999 ?-999 ? O1 UNL A 129 mPHE~A 29 24.63 3.02 57.31 23.71 2.79 57.64 26.59 2.98 58.79 27.76 3.34 58.85 25.58 3.83 58.06 24.84 4.83 58.98 3 0 5.56-999 ?-999 ?-999 ? O1 UNL A 129 mGLN~A 30 26.13 1.89 59.36 25.14 1.75 59.24 28.04 0.31 59.19 29.19 0.13 59.58 27.02 0.98 60.10 26.21 -0.07 60.81 2 0 7.16-999 ?-999 ?-999 ? O1 UNL A 129 mLEU~A 31 27.62 -0.03 57.97 26.66 0.20 57.79 29.14 0.30 56.02 29.92 -0.10 55.17 28.47 -0.68 56.99 27.65 -1.69 56.19 3 0 10.25-999 ?-999 ?-999 ? O1 UNL A 129 mHIS.A 32 28.86 1.58 56.19 28.29 1.76 56.99 29.11 2.25 53.82 30.01 2.32 52.97 29.36 2.64 55.28 30.82 2.95 55.54 3 0 10.40-999 ?-999 ?-999 ? O1 UNL A 129 mASP~A 33 27.89 1.82 53.54 27.23 1.91 54.29 26.21 1.79 51.76 25.18 1.36 52.24 27.56 1.27 52.23 27.53 -0.26 52.31 2 0 11.80-999 ?-999 ?-999 ? O1 UNL A 129 mPRO~A 34 26.21 2.77 50.88 27.10 3.05 50.51 24.16 2.64 49.41 23.18 3.19 48.94 24.95 3.35 50.50 25.38 4.73 49.99 3 0 11.58-999 ?-999 ?-999 ? O3 UNL A 129 mALA~A 35 24.54 1.43 49.01 25.33 1.07 49.51 22.33 0.59 48.13 21.57 0.78 47.19 23.85 0.73 47.92 24.50 -0.67 47.69 2 0 11.17-999 ?-999 ?-999 ? O2 EDO A 131 mALA~A 36 21.89 0.31 49.35 22.62 0.21 50.02 19.62 1.45 49.63 18.37 1.39 49.69 20.43 0.18 49.64 20.20 -0.54 51.03 2 0 9.05-999 ?-999 ?-999 ? O2 EDO A 131 mLEU~A 37 20.26 2.62 49.65 21.25 2.60 49.50 18.34 4.02 48.89 17.21 4.26 49.32 19.48 3.80 49.88 20.29 5.09 50.06 3 0 8.09-999 ?-999 ?-999 ? O1 EDO A 131 mPRO~A 38 18.63 3.95 47.58 19.55 3.68 47.30 16.26 3.48 46.82 15.16 4.05 46.75 17.52 4.30 46.68 18.13 4.09 45.31 3 0 -5.09-999 ?-999 ?-999 ? O1 EDO A 131s mGLU~A 39 16.38 2.17 47.05 17.32 1.83 47.16 14.37 1.61 48.40 13.17 1.29 48.46 15.18 1.34 47.14 15.59 -0.12 47.03 2 0 -3.48-999 ?-999 ?-999 ? O1 EDO A 131s mLEU~A 40 14.98 2.22 49.40 15.93 2.47 49.20 13.61 3.85 50.72 12.91 4.12 51.69 14.31 2.49 50.68 15.32 2.47 51.83 3 0 5.48-999 ?-999 ?-999 ? O1 EDO A 131 mILE^A 41 13.84 4.73 49.71 14.30 4.32 48.92 12.40 6.42 48.72 12.55 6.05 47.56 13.47 6.14 49.75 14.73 7.01 49.49 3 0 -5.27-999 ?-999 ?-999 ? O1 EDO A 131s mALA^A 42 11.32 7.05 49.16 11.33 7.20 50.15 10.68 8.56 47.31 11.61 9.34 47.58 10.24 7.47 48.29 9.05 7.99 49.12 2 0 5.72-999 ?-999 ?-999 ? O1 EDO A 131 mGLU^A 43 10.00 8.61 46.15 9.28 7.92 46.05 10.27 10.99 45.73 11.12 11.84 45.41 10.31 9.61 45.14 9.31 9.53 43.99 2 0 6.90-999 ?-999 ?-999 ? O1 EDO A 131 mGLU^A 44 9.27 11.22 46.58 8.72 10.40 46.76 9.51 12.61 48.63 8.99 13.40 49.42 9.01 12.52 47.20 7.50 12.81 47.17 2 0 10.22-999 ?-999 ?-999 ? O1 EDO A 131 mCYH^A 45 10.51 11.81 48.98 10.80 11.19 48.25 11.66 13.25 50.71 12.26 13.88 49.85 11.10 11.86 50.35 12.20 10.86 50.49 2 0 10.11-999 ?-999 ?-999 ? O1 EDO A 131 mVAL^A 46 11.44 13.70 51.94 10.87 13.11 52.50 12.85 14.65 53.69 12.38 13.96 54.59 12.00 14.94 52.44 10.90 15.93 52.81 3 0 10.04-999 ?-999 ?-999 ? O5 UNL A 129 mILE^A 47 14.04 15.22 53.74 14.33 15.63 52.88 14.82 16.69 55.49 15.04 17.66 54.74 14.85 15.23 54.95 16.30 14.84 54.65 3 0 6.35-999 ?-999 ?-999 ? O6 UNL A 129 mGLU^A 48 14.59 16.83 56.80 14.29 15.99 57.25 16.01 17.85 58.30 16.00 17.15 59.30 14.76 18.10 57.49 13.55 18.45 58.33 2 0 6.34-999 ?-999 ?-999 ? O6 UNL A 129 mASN.A 49 17.08 18.50 57.84 16.86 19.12 57.09 18.54 18.72 59.85 17.65 19.36 60.39 18.45 18.34 58.36 19.39 19.23 57.54 2 0 -4.47-999 ?-999 ?-999 ? O6 UNL A 129s mTHR.A 50 19.63 18.30 60.49 20.21 17.70 59.95 20.36 20.13 62.02 20.24 20.71 63.10 19.92 18.71 61.88 21.03 17.84 62.47 2 0 5.32-999 ?-999 ?-999 ? O6 UNL A 129 mVAL.A 51 20.91 20.66 60.93 20.90 20.04 60.15 21.10 22.69 59.58 20.80 22.05 58.57 21.46 22.00 60.87 23.03 21.98 60.99 3 0 8.38-999 ?-999 ?-999 ? O6 UNL A 129 mPRO.A 52 21.12 24.03 59.58 20.95 24.39 58.67 20.05 25.39 61.35 19.04 25.55 60.69 21.34 24.92 60.70 21.98 26.13 60.02 3 0 11.13-999 ?-999 ?-999 ? O6 UNL A 129 mALA.A 53 20.12 25.67 62.64 20.94 25.34 63.09 18.78 27.70 62.53 19.70 28.30 61.95 19.06 26.40 63.31 19.46 26.71 64.74 2 0 12.96-999 ?-999 ?-999 ? O6 UNL A 129 mPRO.A 54 17.55 28.19 62.58 17.46 29.00 62.00 15.72 26.49 62.81 15.16 25.74 63.61 16.42 27.68 63.34 15.46 28.86 63.32 3 0 14.47-999 ?-999 ?-999 ? O6 UNL A 129 mASP.A 55 15.73 26.28 61.51 16.42 26.82 61.02 15.34 23.97 60.46 14.57 23.00 60.26 14.80 25.34 60.87 14.19 25.99 59.62 2 0 12.22-999 ?-999 ?-999 ? O6 UNL A 129 mGLY.A 56 16.66 23.92 60.26 17.16 24.71 60.60 17.15 22.98 58.09 16.10 23.42 57.66 17.31 22.82 59.60-999.99-999.99-999.99 1 0 8.98-999 ?-999 ?-999 ? O6 UNL A 129 mALA.A 57 18.16 22.58 57.32 18.97 22.26 57.82 17.22 21.43 55.38 17.21 20.32 55.94 18.07 22.60 55.88 19.47 22.58 55.26 2 0 9.30-999 ?-999 ?-999 ? O6 UNL A 129 mARG^A 58 16.54 21.67 54.28 16.76 22.55 53.84 16.14 20.15 52.49 16.76 20.86 51.72 15.57 20.74 53.76 14.25 21.47 53.51 2 0 9.46-999 ?-999 ?-999 ? O6 UNL A 129 mHIS^A 59 15.94 18.85 52.30 15.45 18.41 53.06 15.15 17.44 50.60 14.48 16.76 51.38 16.39 18.14 51.08 17.53 17.16 51.37 3 0 9.66-999 ?-999 ?-999 ? O6 UNL A 129 mALA^A 60 14.85 17.56 49.33 15.54 18.05 48.79 13.84 16.18 47.55 14.54 16.60 46.63 13.60 17.00 48.79 12.63 18.13 48.48 2 0 12.34-999 ?-999 ?-999 ? O6 UNL A 129 mGLY~A 61 13.15 15.06 47.48 12.55 14.89 48.27 14.26 13.07 46.61 15.27 13.27 47.29 13.25 14.15 46.36-999.99-999.99-999.99 1 0 11.05-999 ?-999 ?-999 ? O1 EDO A 131 mARG~A 62 14.03 11.92 46.01 13.22 11.91 45.42 16.38 11.10 45.92 17.26 10.71 46.68 14.90 10.78 46.22 14.47 9.58 45.37 2 0 -7.94-999 ?-999 ?-999 ? C1 EDO A 131s mGLN~A 63 16.65 11.83 44.84 15.86 12.17 44.33 18.80 12.83 45.55 19.92 12.45 45.94 18.03 12.08 44.46 18.06 12.84 43.15 2 0 10.02-999 ?-999 ?-999 ? C1 EDO A 131 mALA~A 64 18.21 13.94 46.00 17.34 14.14 45.56 19.02 13.98 48.35 20.02 14.15 49.04 18.82 14.78 47.06 17.95 16.00 47.33 2 0 12.03-999 ?-999 ?-999 ? O5 UNL A 129 mCYH~A 65 18.02 13.17 48.68 17.27 13.14 48.03 19.15 11.32 49.83 19.95 11.18 50.74 18.08 12.40 49.94 16.74 11.81 50.28 2 0 8.90-999 ?-999 ?-999 ? O5 UNL A 129 mVAL~A 66 19.19 10.59 48.73 18.42 10.75 48.11 21.66 10.30 48.51 22.59 9.80 49.17 20.29 9.61 48.48 20.13 8.81 47.14 3 0 10.40-999 ?-999 ?-999 ? O1 EDO A 131 mGLN~A 67 21.78 11.45 47.87 20.95 11.82 47.46 23.56 12.46 49.22 24.74 12.26 49.54 23.09 12.10 47.81 23.05 13.34 46.94 2 0 11.61-999 ?-999 ?-999 ? O5 UNL A 129 mLEU~A 68 22.67 13.02 50.03 21.75 13.10 49.66 23.42 12.31 52.24 24.49 12.28 52.84 23.05 13.49 51.36 21.95 14.30 52.02 3 0 8.46-999 ?-999 ?-999 ? O5 UNL A 129 mTRP~A 69 22.54 11.33 52.33 21.71 11.45 51.79 24.07 9.38 52.70 24.82 8.85 53.52 22.83 10.18 53.16 21.62 9.31 53.26 3 0 -6.62-999 ?-999 ?-999 ? O4 UNL A 129s mSER~A 70 24.26 9.28 51.39 23.55 9.71 50.83 26.71 9.26 51.36 27.61 8.60 51.88 25.43 8.60 50.85 25.38 8.60 49.33 2 0 9.86-999 ?-999 ?-999 ? O4 UNL A 129 mALA~A 71 26.77 10.57 51.24 25.94 10.98 50.87 28.20 11.08 53.12 29.35 10.93 53.54 27.95 11.31 51.62 27.76 12.80 51.33 2 0 10.57-999 ?-999 ?-999 ? O4 UNL A 129 mILE~A 72 27.14 11.16 53.91 26.29 11.36 53.41 27.80 9.60 55.66 28.71 9.48 56.48 27.23 10.98 55.37 25.89 11.22 56.10 3 0 7.51-999 ?-999 ?-999 ? O4 UNL A 129 mALA~A 73 27.27 8.59 54.99 26.59 8.89 54.32 29.08 6.86 54.87 29.62 5.88 55.37 27.65 7.19 55.23 26.73 6.22 54.46 2 0 8.24-999 ?-999 ?-999 ? O3 UNL A 129 mTHR~A 74 29.64 7.62 53.96 29.08 8.40 53.67 32.03 8.36 53.80 33.15 8.28 53.29 30.96 7.32 53.44 30.92 7.13 51.89 2 0 11.92-999 ?-999 ?-999 ? O3 UNL A 129 mGLN.A 75 31.72 9.30 54.68 30.79 9.27 55.04 33.80 9.61 55.89 33.50 8.96 56.89 32.72 10.28 55.04 32.11 11.45 55.81 2 0 12.53-999 ?-999 ?-999 ? O4 UNL A 129 mPRO.A 76 35.07 9.72 55.47 35.20 10.21 54.60 36.23 9.67 57.69 35.99 10.87 57.97 36.15 9.14 56.27 37.43 9.48 55.48 3 0 15.43-999 ?-999 ?-999 ? O3 UNL A 129 mGLY.A 77 36.51 8.77 58.61 36.57 7.83 58.26 35.49 9.38 60.81 35.60 9.83 61.94 36.73 9.12 59.99-999.99-999.99-999.99 1 0 15.41-999 ?-999 ?-999 ? O2 UNL A 129 mTHR.A 78 34.32 9.08 60.24 34.39 8.67 59.33 32.28 8.03 61.06 32.46 7.10 60.27 33.06 9.33 60.93 32.21 10.32 60.17 2 0 11.75-999 ?-999 ?-999 ? O2 UNL A 129 mARG^A 79 31.40 7.99 62.06 31.35 8.82 62.61 29.50 7.12 63.32 29.55 8.14 64.03 30.59 6.81 62.31 31.46 5.66 62.83 2 0 9.02-999 ?-999 ?-999 ? O2 UNL A 129 mPHE^A 80 28.52 6.22 63.39 28.63 5.45 62.76 27.33 5.18 65.26 27.53 4.04 64.84 27.40 6.36 64.31 26.04 6.40 63.58 3 0 6.32-999 ?-999 ?-999 ? O2 UNL A 129 mASP^A 81 27.03 5.46 66.53 27.14 6.42 66.79 25.08 4.59 67.58 24.55 5.69 67.72 26.59 4.44 67.46 27.17 4.63 68.84 2 0 6.69-999 ?-999 ?-999 ? CL CL A 130 mLEU^A 82 24.38 3.48 67.49 24.93 2.67 67.28 22.63 3.31 69.15 23.08 2.36 69.82 22.93 3.44 67.67 22.33 2.26 66.94 3 0 6.60-999 ?-999 ?-999 ? O1 UNL A 129 mGLU^A 83 21.83 4.23 69.65 21.56 4.95 69.00 20.08 3.39 71.16 19.97 2.51 72.02 21.38 4.19 71.03 21.21 5.58 71.63 2 0 -5.83-999 ?-999 ?-999 ? CL CL A 130s mGLU^A 84 19.10 3.69 70.32 19.32 4.42 69.66 17.03 3.28 69.13 16.92 4.44 68.72 17.82 3.01 70.38 16.96 3.49 71.56 2 0 9.47-999 ?-999 ?-999 ? CL CL A 130 mTHR^A 85 16.45 2.24 68.57 16.75 1.36 68.94 14.13 1.93 68.07 14.03 0.77 68.56 15.45 2.38 67.50 15.77 1.51 66.26 2 0 8.95-999 ?-999 ?-999 ? O1 UNL A 129 mPHE^A 86 13.15 2.82 68.06 13.46 3.69 67.67 10.81 2.72 67.37 10.85 3.74 66.67 11.78 2.57 68.55 11.38 3.53 69.67 3 0 12.26-999 ?-999 ?-999 ? O1 UNL A 129 mVAL^A 87 10.02 1.69 67.14 10.12 0.96 67.82 7.65 1.53 66.46 7.36 0.75 67.37 9.07 1.64 66.01 9.44 0.40 65.14 3 0 13.66-999 ?-999 ?-999 ? O1 UNL A 129 mALA^A 88 6.76 2.24 65.79 7.15 2.87 65.12 4.60 2.45 64.74 4.65 3.58 64.26 5.33 2.11 66.03 4.86 3.01 67.21 2 0 17.03-999 ?-999 ?-999 ? O1 UNL A 129 mGLY.A 89 3.97 1.44 64.14 4.07 0.55 64.59 4.13 2.03 61.83 5.11 1.32 61.59 3.20 1.66 62.95-999.99-999.99-999.99 1 0 18.66-999 ?-999 ?-999 ? O1 UNL A 129 mASP.A 90 3.85 3.15 61.16 3.04 3.62 61.51 5.70 4.66 60.49 6.38 5.34 59.68 4.65 3.63 60.02 3.72 4.30 59.01 2 0 16.63-999 ?-999 ?-999 ? O1 EDO A 131 mARG^A 91 5.94 4.76 61.80 5.40 4.14 62.36 7.99 5.10 63.16 7.82 4.01 63.70 6.91 5.72 62.34 6.17 6.75 63.20 2 0 14.28-999 ?-999 ?-999 ? O5 UNL A 129 mALA^A 92 9.13 5.77 63.27 9.18 6.61 62.73 10.98 6.44 64.61 11.01 7.53 64.03 10.18 5.30 64.11 11.09 4.39 63.34 2 0 11.57-999 ?-999 ?-999 ? O1 UNL A 129 mTHR^A 93 11.61 6.21 65.75 11.32 5.38 66.22 13.98 6.38 66.31 14.00 5.21 66.66 12.65 7.15 66.22 12.32 7.81 67.60 2 0 9.92-999 ?-999 ?-999 ? O2 UNL A 129 mILE^A 94 15.06 7.03 65.91 14.88 7.95 65.57 17.27 7.37 66.72 17.57 8.47 66.19 16.40 6.41 66.00 17.04 6.12 64.61 3 0 6.63-999 ?-999 ?-999 ? O2 UNL A 129 mARG^A 95 17.61 7.02 67.97 17.14 6.21 68.32 19.98 7.28 68.43 20.21 6.07 68.38 18.60 7.81 68.73 18.32 7.80 70.24 2 0 7.48-999 ?-999 ?-999 ? O2 UNL A 129 mTRP^A 96 20.91 8.21 68.28 20.58 9.14 68.46 23.30 8.88 68.49 22.97 9.93 69.02 22.28 7.94 67.89 22.41 7.94 66.35 3 0 6.09-999 ?-999 ?-999 ? O2 UNL A 129 mARG^A 97 24.56 8.46 68.42 24.65 7.50 68.15 26.58 9.30 67.44 26.95 8.23 66.93 25.72 9.29 68.71 26.52 8.76 69.89 2 0 -5.13-999 ?-999 ?-999 ? CL CL A 130s mTYR^A 98 26.82 10.49 66.93 26.39 11.24 67.44 29.05 11.07 66.14 29.24 12.02 66.93 27.65 10.69 65.72 27.02 11.80 64.87 3 0 8.05-999 ?-999 ?-999 ? O2 UNL A 129 mTRP^A 99 30.04 10.37 65.58 29.72 9.65 64.96 32.04 11.27 64.61 31.92 10.77 63.50 31.45 10.62 65.83 32.20 9.32 66.13 3 0 10.10-999 ?-999 ?-999 ? CL CL A 130 mMETA 100 32.67 12.42 64.85 32.72 12.65 65.82 34.72 12.96 63.61 35.36 12.38 64.48 33.24 13.26 63.80 33.04 14.71 64.18 2 0 13.30-999 ?-999 ?-999 ? O4 UNL A 129 mALA.A 101 35.24 13.34 62.44 34.59 13.80 61.84 37.61 13.70 63.09 38.69 13.16 63.28 36.64 13.08 62.10 36.94 13.54 60.68 2 0 16.09-999 ?-999 ?-999 ? O4 UNL A 129 mASP.A 102 37.22 14.80 63.74 36.32 15.13 63.49 38.04 14.76 66.09 38.62 15.26 67.04 38.09 15.44 64.75 37.73 16.91 64.93 2 0 17.19-999 ?-999 ?-999 ? CL CL A 130 mGLY.A 103 37.32 13.64 66.21 36.82 13.37 65.39 36.16 13.34 68.40 35.94 12.69 69.41 37.30 12.92 67.47-999.99-999.99-999.99 1 0 14.21-999 ?-999 ?-999 ? CL CL A 130 mASN.A 104 35.45 14.40 68.06 35.75 14.86 67.22 33.08 14.00 68.53 33.06 13.33 67.50 34.32 14.84 68.88 34.04 16.34 68.64 2 0 12.33-999 ?-999 ?-999 ? CL CL A 130 mSER^A 105 32.06 14.07 69.37 32.23 14.59 70.21 29.67 14.30 69.45 29.89 15.30 70.15 30.81 13.41 69.06 30.66 12.07 69.78 2 0 9.09-999 ?-999 ?-999 ? CL CL A 130 mVAL^A 106 28.49 13.95 68.98 28.51 13.19 68.33 26.11 13.61 69.36 26.01 12.74 68.49 27.27 14.63 69.36 26.94 15.86 68.48 3 0 8.52-999 ?-999 ?-999 ? CL CL A 130 mARG^A 107 25.25 13.67 70.37 25.50 14.30 71.11 22.94 13.51 69.55 22.80 14.74 69.51 24.04 12.86 70.36 23.58 12.58 71.78 2 0 6.55-999 ?-999 ?-999 ? CL CL A 130 mGLY^A 108 22.11 12.67 68.94 22.32 11.71 69.12 19.91 12.11 67.95 19.94 11.02 68.54 20.99 13.13 68.10-999.99-999.99-999.99 1 0 8.73-999 ?-999 ?-999 ? O2 UNL A 129 mVAL^A 109 18.93 12.47 67.15 19.03 13.37 66.72 17.24 11.91 65.53 17.27 13.07 65.04 17.80 11.62 66.92 16.66 11.85 67.98 3 0 7.79-999 ?-999 ?-999 ? O2 UNL A 129 mASN^A 110 16.74 10.85 64.89 16.94 9.97 65.33 14.51 10.54 63.96 14.25 9.50 64.61 15.97 10.97 63.67 16.41 10.00 62.58 2 0 -5.99-999 ?-999 ?-999 ? O5 UNL A 129s mLEU^A 111 13.57 11.36 63.51 13.91 12.24 63.18 11.97 10.54 62.04 12.40 11.23 61.10 12.18 11.03 63.49 11.35 12.29 63.78 3 0 8.54-999 ?-999 ?-999 ? O5 UNL A 129 mMETA 112 11.38 9.34 61.87 11.07 8.91 62.72 9.82 8.34 60.29 9.13 7.88 61.19 11.22 8.72 60.55 12.09 7.44 60.46 2 0 8.83-999 ?-999 ?-999 ? O5 UNL A 129 mARG^A 113 9.39 8.51 59.03 10.06 8.89 58.40 8.06 7.43 57.29 8.79 7.88 56.37 8.05 8.14 58.65 7.13 9.33 58.63 2 0 11.82-999 ?-999 ?-999 ? O5 UNL A 129 mVAL^A 114 7.39 6.28 57.24 6.97 6.04 58.12 5.89 5.64 55.42 4.94 6.05 56.11 7.25 5.45 56.05 7.42 3.93 56.41 3 0 12.12-999 ?-999 ?-999 ? O1 EDO A 131 mGLN^A 115 5.78 5.43 54.10 6.66 5.33 53.63 4.75 4.44 52.23 5.77 4.59 51.54 4.50 5.34 53.43 4.06 6.71 52.98 2 0 11.64-999 ?-999 ?-999 ? O1 EDO A 131 mASP.A 116 3.86 3.47 52.06 3.12 3.47 52.74 5.31 1.85 50.95 5.90 1.62 49.90 3.94 2.52 50.98 3.61 3.20 49.66 2 0 10.37-999 ?-999 ?-999 ? O1 EDO A 131 mGLY.A 117 5.81 1.55 52.14 5.28 1.92 52.91 8.35 1.46 52.06 9.38 0.79 51.98 7.02 0.76 52.30-999.99-999.99-999.99 1 0 9.20-999 ?-999 ?-999 ? O1 EDO A 131 mARG^A 118 8.29 2.78 51.86 7.36 3.15 51.84 9.52 4.79 52.63 8.42 5.29 53.05 9.49 3.59 51.69 9.66 4.06 50.24 2 0 -7.01-999 ?-999 ?-999 ? O1 EDO A 131s mILE^A 119 10.72 5.26 52.93 11.47 4.73 52.53 10.40 7.66 53.03 10.92 7.93 51.93 10.89 6.45 53.78 12.34 6.68 54.21 3 0 9.12-999 ?-999 ?-999 ? O1 EDO A 131 mVAL^A 120 9.43 8.40 53.59 9.07 8.02 54.45 9.35 10.87 53.76 9.28 11.95 53.21 8.93 9.63 53.01 7.43 9.65 52.90 3 0 10.64-999 ?-999 ?-999 ? O1 EDO A 131 mGLU^A 121 9.74 10.75 55.04 9.75 9.82 55.39 11.06 11.52 56.90 10.78 10.54 57.60 10.11 11.95 55.80 8.88 12.62 56.40 2 0 9.58-999 ?-999 ?-999 ? O5 UNL A 129 mALA^A 122 12.20 12.22 57.01 12.26 12.95 56.32 13.57 13.35 58.59 13.98 14.27 57.86 13.25 11.99 58.01 14.51 11.39 57.40 2 0 6.02-999 ?-999 ?-999 ? O5 UNL A 129 mMETA 123 13.37 13.50 59.90 13.01 12.68 60.34 14.76 14.55 61.65 14.65 13.66 62.49 13.66 14.77 60.62 12.38 15.29 61.29 2 0 5.79-999 ?-999 ?-999 ? O6 UNL A 129 mGLY^A 124 15.83 15.31 61.52 15.79 15.98 60.79 17.18 16.28 63.37 16.97 17.46 63.06 16.98 15.15 62.40-999.99-999.99-999.99 1 0 3.96-999 ?-999 ?-999 ? O6 UNL A 129 mTYR^A 125 17.57 15.90 64.62 17.62 14.92 64.76 19.09 16.43 66.48 19.41 15.25 66.49 17.88 16.87 65.66 16.71 17.03 66.60 3 0 7.03-999 ?-999 ?-999 ? O6 UNL A 129 mVAL^A 126 19.72 17.37 67.20 19.27 18.27 67.17 20.90 17.82 69.28 20.05 18.67 69.52 20.93 17.13 67.94 22.18 17.62 67.18 3 0 9.27-999 ?-999 ?-999 ? O6 UNL A 129 mLYS.A 127 21.83 17.50 70.16 22.31 16.64 69.96 22.78 19.58 70.79 23.62 19.48 69.88 22.08 18.36 71.31 22.99 17.64 72.32 2 0 11.81-999 ?-999 ?-999 ? CL CL A 130 mGLY.A 128 22.44 20.73 71.35 21.85 20.64 72.16 23.98 22.67 71.59 24.28 23.79 71.15 22.90 22.00 70.81-999.99-999.99-999.99 1 0 14.40-999 ?-999 ?-999 ? O6 UNL A 129