HEADER UNKNOWN FUNCTION 13-DEC-07 3BN7 COMPND FERREDOXIN-LIKE PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; SOURCE 3 ORGANISM_TAXID: 190650; SOURCE 4 STRAIN: CB15; SOURCE 5 ATCC: 19089; SOURCE 6 GENE: NP_421070.1, CC_2267; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 13 HET MSE A 62 13 HET MSE A 99 18 HET ACT A 102 4 SITE 1 AC1 5 HIS A 4 GLU A 60 TYR A 73 ARG A 74 mGLY.A 0 20.94 27.08 24.10 21.61 27.50 24.71 20.05 26.94 21.75 20.64 27.99 21.45 19.93 26.46 23.19-999.99-999.99-999.99 1 0 19.19-999 ?-999 ?-999 ? OXT ACT A 102 mMETA 1 19.47 26.16 20.84 19.05 25.32 21.18 18.12 27.12 19.04 17.16 27.04 19.80 19.48 26.58 19.44 19.94 25.45 18.56 2 0 15.73-999 ?-999 ?-999 ? OXT ACT A 102 mLEU^A 2 18.08 27.72 17.85 18.93 27.66 17.32 16.26 27.55 16.29 16.92 27.19 15.32 16.91 28.39 17.38 17.22 29.75 16.80 3 0 12.37-999 ?-999 ?-999 ? OXT ACT A 102 mPHE^A 3 14.98 27.23 16.50 14.66 27.58 17.38 13.11 27.43 14.89 12.23 28.02 15.51 14.11 26.48 15.59 13.39 25.37 16.35 3 0 10.63-999 ?-999 ?-999 ? OXT ACT A 102 mHIS^A 4 13.32 27.61 13.59 14.06 27.04 13.23 11.65 27.62 11.93 12.09 26.86 11.07 12.59 28.50 12.74 13.57 29.31 11.86 3 0 -7.04-999 ?-999 ?-999 ? OXT ACT A 102s mGLN^A 5 10.36 27.71 12.25 10.18 28.44 12.91 8.36 27.73 10.89 7.85 28.70 11.41 9.32 26.86 11.69 8.59 26.17 12.83 2 0 7.56-999 ?-999 ?-999 ? OXT ACT A 102 mVAL^A 6 8.09 27.38 9.64 8.56 26.55 9.33 6.21 27.19 8.13 6.64 26.07 7.72 7.20 28.15 8.80 7.94 28.91 7.70 3 0 6.44-999 ?-999 ?-999 ? OXT ACT A 102 mPHE^A 7 4.95 27.60 8.05 4.79 28.48 8.51 3.38 27.75 6.28 3.10 28.92 6.55 3.91 26.83 7.35 2.84 26.41 8.35 3 0 9.34-999 ?-999 ?-999 ? CH3 ACT A 102 mPHE^A 8 3.23 27.22 5.07 3.46 26.25 5.04 1.48 27.37 3.38 1.36 26.13 3.22 2.78 27.97 3.89 3.78 27.87 2.74 3 0 9.23-999 ?-999 ?-999 ? CH3 ACT A 102 mTRP^A 9 0.54 28.26 3.06 0.76 29.20 3.32 -0.60 28.48 0.98 -0.38 29.69 0.82 -0.70 27.90 2.40 -1.90 28.49 3.13 3 0 12.65-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU^A 10 -0.75 27.62 -0.02 -0.96 26.69 0.27 -1.83 28.76 -1.84 -2.92 28.47 -1.35 -0.60 28.00 -1.42 -0.43 26.76 -2.33 3 0 13.56-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS.A 11 -1.66 29.71 -2.77 -0.70 29.92 -2.97 -3.66 29.37 -4.18 -4.88 29.53 -4.24 -2.79 30.38 -3.44 -2.32 31.47 -4.41 2 0 16.01-999 ?-999 ?-999 ? CH3 ACT A 102 mASN.A 12 -3.01 28.35 -4.72 -2.02 28.38 -4.62 -3.40 25.98 -4.67 -2.54 25.23 -5.04 -3.70 27.27 -5.40 -3.31 27.21 -6.88 2 0 18.24-999 ?-999 ?-999 ? CH3 ACT A 102 mPRO.A 13 -4.13 25.74 -3.57 -4.85 26.39 -3.33 -3.97 23.28 -3.63 -4.84 23.22 -4.51 -3.82 24.55 -2.80 -4.88 24.56 -1.68 3 0 17.99-999 ?-999 ?-999 ? CH3 ACT A 102 mGLY.A 14 -3.12 22.30 -3.36 -2.46 22.48 -2.63 -2.63 21.14 -5.54 -2.59 20.13 -6.25 -3.23 21.05 -4.13-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? CH3 ACT A 102 mASP~A 15 -2.13 22.33 -5.94 -2.25 23.09 -5.30 -0.03 21.95 -7.09 0.83 22.62 -6.51 -1.46 22.45 -7.23 -1.45 23.87 -7.74 2 0 19.28-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS~A 16 0.21 20.74 -7.59 -0.56 20.32 -8.07 2.67 20.91 -8.02 3.71 21.00 -7.40 1.49 20.10 -7.44 1.47 18.72 -8.06 2 0 18.91-999 ?-999 ?-999 ? CH3 ACT A 102 mALA~A 17 2.48 21.47 -9.21 1.61 21.25 -9.64 3.94 23.48 -8.90 5.11 23.69 -8.72 3.51 22.33 -9.80 3.06 22.86 -11.16 2 0 18.33-999 ?-999 ?-999 ? CH3 ACT A 102 mASP~A 18 3.00 24.22 -8.32 2.07 23.96 -8.58 3.94 24.78 -6.12 4.88 25.38 -5.62 3.31 25.30 -7.41 2.08 26.08 -7.03 2 0 15.27-999 ?-999 ?-999 ? CH3 ACT A 102 mARG~A 19 3.40 23.69 -5.59 2.60 23.35 -6.07 5.41 22.69 -4.65 6.27 22.95 -3.81 3.97 23.08 -4.40 3.18 21.84 -4.06 2 0 13.99-999 ?-999 ?-999 ? CH3 ACT A 102 mASP~A 20 5.65 21.97 -5.74 4.85 21.76 -6.29 7.98 22.74 -6.22 9.16 22.67 -5.82 7.03 21.55 -6.05 7.08 20.66 -7.29 2 0 14.77-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS~A 21 7.49 23.80 -6.82 6.54 23.69 -7.13 8.68 25.63 -5.66 9.85 26.03 -5.45 8.30 25.01 -7.02 7.51 26.05 -7.82 2 0 13.16-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU~A 22 7.70 25.71 -4.77 6.81 25.40 -5.10 8.95 25.34 -2.64 9.90 25.85 -2.07 7.94 26.20 -3.43 6.63 26.39 -2.69 3 0 9.74-999 ?-999 ?-999 ? CH3 ACT A 102 mILE~A 23 8.81 24.03 -2.70 8.02 23.74 -3.25 11.10 23.26 -2.59 12.05 23.35 -1.84 9.68 23.09 -2.05 9.16 21.64 -2.26 3 0 10.48-999 ?-999 ?-999 ? CH3 ACT A 102 mALA~A 24 11.22 23.32 -3.91 10.36 23.30 -4.42 13.18 24.72 -4.14 14.40 24.77 -3.91 12.51 23.41 -4.53 12.33 23.31 -6.05 2 0 11.82-999 ?-999 ?-999 ? CH3 ACT A 102 mGLY~A 25 12.40 25.79 -4.09 11.45 25.62 -4.34 13.45 27.14 -2.26 14.52 27.71 -1.99 12.93 27.09 -3.71-999.99-999.99-999.99 1 0 9.04-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU~A 26 12.70 26.51 -1.36 11.84 26.14 -1.72 14.40 25.53 0.16 15.34 25.96 0.81 13.11 26.36 0.03 12.00 25.72 0.86 3 0 6.73-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS~A 27 14.44 24.37 -0.47 13.62 24.15 -0.99 16.87 24.17 -0.88 17.94 23.92 -0.33 15.60 23.51 -0.40 15.35 22.19 -1.13 2 0 10.06-999 ?-999 ?-999 ? CH3 ACT A 102 mALA~A 28 16.77 25.03 -1.89 15.84 25.17 -2.23 18.54 26.73 -1.50 19.66 27.21 -1.72 17.94 25.70 -2.44 17.62 26.37 -3.76 2 0 10.90-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU~A 29 17.83 27.07 -0.42 16.91 26.68 -0.36 19.58 27.34 1.36 20.25 28.06 2.11 18.39 27.97 0.58 17.30 28.47 1.56 3 0 8.61-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS~A 30 19.84 26.03 1.15 19.16 25.57 0.58 22.33 26.05 1.34 23.37 25.79 1.96 21.01 25.33 1.72 21.05 23.88 1.25 2 0 11.53-999 ?-999 ?-999 ? OXT ACT A 102 mALA~A 31 22.29 26.92 0.32 21.42 26.92 -0.18 23.82 28.74 1.05 24.94 29.23 1.04 23.41 27.78 -0.04 23.08 28.55 -1.33 2 0 13.28-999 ?-999 ?-999 ? CH3 ACT A 102 mILE~A 32 22.90 29.07 1.95 22.02 28.63 1.79 23.88 29.26 4.20 23.27 28.40 4.86 23.17 30.00 3.07 21.85 30.67 3.54 3 0 11.46-999 ?-999 ?-999 ? OXT ACT A 102 mASP.A 33 25.14 29.57 4.47 25.48 30.37 3.97 25.54 28.89 6.90 25.90 28.04 7.71 25.93 28.77 5.42 27.43 29.03 5.24 2 0 13.94-999 ?-999 ?-999 ? OXT ACT A 102 mVAL.A 34 24.79 29.92 7.29 24.59 30.59 6.58 23.21 28.95 9.05 22.92 28.70 10.23 24.34 29.97 8.70 23.90 31.37 9.17 3 0 12.40-999 ?-999 ?-999 ? OXT ACT A 102 mILE.A 35 22.57 28.38 8.03 22.82 28.74 7.13 22.25 26.00 8.69 23.05 25.40 7.96 21.57 27.32 8.28 20.63 27.05 7.03 3 0 10.32-999 ?-999 ?-999 ? OXT ACT A 102 mGLN.A 36 21.94 25.53 9.90 21.30 26.09 10.41 21.79 23.07 9.96 22.38 22.03 9.75 22.52 24.31 10.40 22.56 24.33 11.93 2 0 13.07-999 ?-999 ?-999 ? OXT ACT A 102 mGLN^A 37 20.47 23.18 9.87 20.11 24.03 10.25 18.48 22.75 8.52 18.05 23.87 8.83 19.63 22.12 9.28 19.01 21.21 10.33 2 0 12.13-999 ?-999 ?-999 ? OXT ACT A 102 mLEU^A 38 18.03 22.06 7.49 18.48 21.17 7.37 16.10 21.42 6.25 16.56 20.52 5.57 16.98 22.60 6.60 17.66 23.18 5.34 3 0 9.88-999 ?-999 ?-999 ? OXT ACT A 102 mHIS^A 39 14.85 21.43 6.70 14.64 22.24 7.24 12.66 20.97 5.81 12.14 21.96 6.30 13.87 20.37 6.44 13.47 19.64 7.75 3 0 11.02-999 ?-999 ?-999 ? OXT ACT A 102 mVAL^A 40 12.16 20.34 4.75 12.67 19.53 4.47 9.98 19.66 4.10 10.41 18.52 3.99 10.94 20.83 4.09 11.22 21.32 2.67 3 0 10.63-999 ?-999 ?-999 ? CH3 ACT A 102 mGLY^A 41 8.67 19.91 4.28 8.42 20.87 4.34 6.33 19.24 3.90 6.15 20.34 3.41 7.72 18.83 4.38-999.99-999.99-999.99 1 0 13.14-999 ?-999 ?-999 ? CH3 ACT A 102 mVAL.A 42 5.40 18.30 4.00 5.78 17.43 4.31 3.22 17.82 4.79 3.77 17.01 5.55 3.99 18.47 3.71 3.62 17.80 2.33 3 0 14.91-999 ?-999 ?-999 ? CH3 ACT A 102 mPRO.A 43 1.91 18.10 4.89 1.52 18.76 4.25 1.33 15.87 5.95 1.24 15.25 4.91 1.20 17.39 5.97 -0.25 17.77 5.74 3 0 17.44-999 ?-999 ?-999 ? CH3 ACT A 102 mALA.A 44 1.60 15.26 7.10 1.79 15.89 7.86 0.19 13.25 7.18 -0.76 13.94 7.52 1.61 13.80 7.22 2.30 13.36 8.54 2 0 20.40-999 ?-999 ?-999 ? CH3 ACT A 102 mALA.A 45 0.06 11.98 6.83 0.91 11.57 6.48 -1.53 10.84 8.42 -2.06 9.74 8.65 -1.22 11.27 6.96 -1.21 10.04 6.10 2 0 23.95-999 ?-999 ?-999 ? CH3 ACT A 102 mTHR.A 46 -1.19 11.64 9.43 -0.76 12.51 9.17 -2.95 11.23 10.99 -3.69 11.78 10.12 -1.46 11.22 10.81 -0.73 12.11 11.89 2 0 24.70-999 ?-999 ?-999 ? OXT ACT A 102 mGLU.A 47 -3.42 10.61 12.08 -2.73 10.10 12.60 -5.20 12.17 12.53 -4.47 12.98 13.15 -4.84 10.69 12.46 -5.12 10.01 13.81 2 0 27.45-999 ?-999 ?-999 ? OXT ACT A 102 mLYS.A 48 -6.29 12.53 11.85 -6.76 11.79 11.38 -7.47 14.18 13.12 -8.65 13.87 13.23 -6.71 13.93 11.84 -7.57 14.27 10.62 2 0 26.29-999 ?-999 ?-999 ? OXT ACT A 102 mARG.A 49 -6.78 14.72 14.10 -5.80 14.84 13.91 -7.76 16.57 15.28 -7.20 17.32 14.47 -7.41 15.10 15.35 -6.47 14.86 16.52 2 0 27.02-999 ?-999 ?-999 ? OXT ACT A 102 mASP.A 50 -8.67 16.98 16.15 -8.99 16.28 16.78 -8.02 19.33 16.32 -8.03 20.38 15.67 -9.15 18.35 16.14 -10.19 18.56 17.24 2 0 26.87-999 ?-999 ?-999 ? OXT ACT A 102 mVAL.A 51 -7.04 19.00 17.17 -7.15 18.11 17.60 -4.85 19.98 16.31 -4.01 20.90 16.29 -5.90 19.91 17.44 -5.17 19.59 18.79 3 0 24.14-999 ?-999 ?-999 ? OXT ACT A 102 mVAL.A 52 -4.92 19.03 15.36 -5.68 18.39 15.49 -4.40 19.80 13.06 -5.52 19.62 12.54 -3.94 18.97 14.23 -3.68 17.53 13.69 3 0 21.83-999 ?-999 ?-999 ? OXT ACT A 102 mASP.A 53 -3.57 20.76 12.67 -2.77 20.87 13.25 -3.10 20.86 10.34 -1.87 20.78 10.40 -3.85 21.56 11.46 -3.39 23.00 11.64 2 0 19.48-999 ?-999 ?-999 ? C ACT A 102 mASN.A 54 -3.85 20.28 9.40 -4.83 20.30 9.60 -3.58 20.49 6.94 -3.41 20.02 5.83 -3.26 19.68 8.20 -3.67 18.20 8.01 2 0 19.20-999 ?-999 ?-999 ? CH3 ACT A 102 mSER.A 55 -3.94 21.75 7.12 -3.84 22.09 8.05 -3.39 23.30 5.20 -3.64 23.71 4.09 -4.43 22.55 5.99 -5.48 23.50 6.48 2 0 18.21-999 ?-999 ?-999 ? CH3 ACT A 102 mTYR.A 56 -2.20 23.46 5.76 -2.14 23.15 6.71 -0.63 23.08 3.96 -1.03 21.90 3.94 -1.08 24.05 5.05 0.05 24.42 6.04 3 0 14.49-999 ?-999 ?-999 ? CH3 ACT A 102 mASP.A 57 0.11 23.61 2.99 0.30 24.58 3.09 2.09 22.43 2.03 2.46 21.34 1.63 0.60 22.85 1.88 0.46 23.65 0.60 2 0 13.92-999 ?-999 ?-999 ? CH3 ACT A 102 mVAL^A 58 2.90 23.34 2.56 2.44 24.18 2.83 4.79 23.63 4.07 4.38 24.69 4.48 4.35 23.11 2.71 5.15 23.78 1.59 3 0 10.96-999 ?-999 ?-999 ? CH3 ACT A 102 mSER^A 59 5.64 22.85 4.73 5.78 21.97 4.28 7.79 23.33 5.83 8.36 22.67 4.95 6.28 23.23 5.99 5.96 22.19 7.05 2 0 9.85-999 ?-999 ?-999 ? CH3 ACT A 102 mGLU^A 60 8.44 24.14 6.66 7.83 24.56 7.34 10.35 24.40 8.05 9.69 25.01 8.89 9.89 24.40 6.59 10.09 25.79 6.01 2 0 -7.27-999 ?-999 ?-999 ? OXT ACT A 102s mLEU^A 61 11.47 23.75 8.30 11.82 23.22 7.53 13.58 24.12 9.36 14.25 23.31 8.65 12.11 23.84 9.61 11.95 22.54 10.38 3 0 8.13-999 ?-999 ?-999 ? OXT ACT A 102 mMETA 62 14.06 25.26 9.84 13.37 25.92 10.14 15.97 25.68 11.33 15.25 26.20 12.17 15.51 25.48 9.92 16.13 26.58 9.03 2 0 7.58-999 ?-999 ?-999 ? OXT ACT A 102 mVAL^A 63 17.21 25.25 11.56 17.65 24.83 10.76 19.08 26.28 12.66 19.85 26.16 11.73 17.87 25.38 12.82 18.29 24.01 13.34 3 0 10.44-999 ?-999 ?-999 ? OXT ACT A 102 mPHE^A 64 19.20 27.22 13.61 18.46 27.18 14.28 20.94 28.06 15.03 20.35 27.56 15.98 20.27 28.20 13.69 19.74 29.63 13.55 3 0 11.34-999 ?-999 ?-999 ? OXT ACT A 102 mLYS.A 65 22.19 28.48 15.10 22.57 28.81 14.23 22.49 29.53 17.33 22.70 29.42 18.56 22.92 28.43 16.38 24.43 28.58 16.14 2 0 14.96-999 ?-999 ?-999 ? OXT ACT A 102 mSER~A 66 21.97 30.62 16.77 21.77 30.53 15.80 20.75 32.75 16.78 20.54 32.63 15.57 21.71 31.83 17.51 23.00 32.58 17.72 2 0 14.69-999 ?-999 ?-999 ? OXT ACT A 102 mVAL~A 67 20.19 33.70 17.54 20.44 33.63 18.51 20.09 35.61 15.99 19.52 36.03 14.98 19.32 34.73 17.02 18.66 35.56 18.20 3 0 13.31-999 ?-999 ?-999 ? OXT ACT A 102 mGLU~A 68 21.38 35.84 16.25 21.70 35.44 17.10 22.43 35.94 13.98 22.46 36.62 12.95 22.22 36.63 15.34 23.58 36.89 15.95 2 0 14.50-999 ?-999 ?-999 ? OXT ACT A 102 mASP~A 69 22.62 34.63 14.02 22.72 34.26 14.94 21.35 33.79 12.04 21.34 33.85 10.80 22.67 33.81 12.78 23.16 32.40 13.09 2 0 12.55-999 ?-999 ?-999 ? OXT ACT A 102 mGLN~A 70 20.24 33.70 12.74 20.38 33.57 13.73 18.79 35.19 11.44 18.23 35.30 10.35 18.92 33.81 12.06 17.66 33.54 12.95 2 0 9.19-999 ?-999 ?-999 ? OXT ACT A 102 mLYS~A 71 19.28 36.23 12.11 19.69 36.00 13.00 20.00 37.67 10.26 19.54 38.29 9.32 19.22 37.58 11.57 19.77 38.60 12.59 2 0 10.79-999 ?-999 ?-999 ? OXT ACT A 102 mARG~A 72 21.17 37.03 10.21 21.42 36.59 11.08 21.29 36.24 7.87 21.40 36.61 6.70 22.00 36.97 9.01 23.31 36.24 9.32 2 0 11.62-999 ?-999 ?-999 ? OXT ACT A 102 mTYR~A 73 20.57 35.17 8.20 20.66 34.88 9.15 18.67 35.45 6.66 18.47 35.57 5.45 19.73 34.50 7.22 19.08 33.29 7.87 3 0 -8.21-999 ?-999 ?-999 ? OXT ACT A 102s mARG~A 74 17.96 36.10 7.59 18.25 35.89 8.52 17.32 38.12 6.29 16.55 38.53 5.42 16.89 37.03 7.28 16.47 37.74 8.57 2 0 -7.27-999 ?-999 ?-999 ? O ACT A 102s mASP~A 75 18.57 38.56 6.43 19.07 38.08 7.14 19.93 39.11 4.41 20.55 39.90 3.70 19.14 39.64 5.62 20.07 40.50 6.47 2 0 10.53-999 ?-999 ?-999 ? O ACT A 102 mHIS~A 76 19.93 37.80 4.20 19.33 37.28 4.81 20.11 37.44 1.80 18.91 37.28 1.65 20.76 37.20 3.17 20.95 35.69 3.43 3 0 10.83-999 ?-999 ?-999 ? OXT ACT A 102 mPRO~A 77 20.92 37.84 0.78 21.89 37.95 1.00 19.62 36.92 -1.14 18.66 37.11 -1.88 20.35 38.10 -0.55 21.57 38.50 -1.41 3 0 12.11-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU~A 78 20.06 35.71 -0.79 20.80 35.71 -0.12 18.08 34.22 -0.82 17.21 33.69 -1.51 19.47 34.49 -1.37 20.40 33.31 -1.17 3 0 10.24-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU~A 79 17.86 34.61 0.43 18.66 34.91 0.94 15.63 35.63 0.25 14.48 35.38 -0.10 16.52 34.57 0.94 16.53 34.75 2.46 3 0 6.80-999 ?-999 ?-999 ? CH3 ACT A 102 mGLN~A 80 16.17 36.84 0.04 17.11 36.96 0.38 15.02 37.42 -2.08 13.91 37.67 -2.54 15.38 37.86 -0.65 16.12 39.21 -0.68 2 0 8.92-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS~A 81 15.94 36.74 -2.75 16.81 36.63 -2.28 14.56 35.16 -4.00 13.69 35.15 -4.84 15.67 36.21 -4.07 16.93 35.61 -4.70 2 0 10.36-999 ?-999 ?-999 ? CH3 ACT A 102 mPHE~A 82 14.60 34.28 -3.01 15.39 34.36 -2.40 12.19 33.94 -2.66 11.20 33.49 -3.24 13.55 33.28 -2.85 13.84 32.34 -1.68 3 0 -7.47-999 ?-999 ?-999 ? CH3 ACT A 102s mVAL~A 83 12.11 34.96 -1.83 12.97 35.23 -1.40 10.36 36.27 -2.91 9.18 36.19 -3.28 10.82 35.61 -1.62 10.88 36.62 -0.43 3 0 7.04-999 ?-999 ?-999 ? CH3 ACT A 102 mALA~A 84 11.28 36.91 -3.63 12.19 36.92 -3.21 10.48 36.48 -5.92 9.49 36.68 -6.63 10.95 37.53 -4.91 12.18 38.29 -5.48 2 0 10.83-999 ?-999 ?-999 ? CH3 ACT A 102 mASP~A 85 11.20 35.37 -6.00 11.98 35.34 -5.37 9.56 33.63 -6.57 8.76 33.37 -7.46 10.89 34.29 -6.92 11.99 33.20 -6.92 2 0 11.34-999 ?-999 ?-999 ? CH3 ACT A 102 mCYH~A 86 9.33 33.34 -5.28 9.93 33.81 -4.63 7.10 32.96 -4.10 6.14 32.22 -3.90 8.29 32.41 -4.87 8.88 31.27 -4.03 2 0 9.47-999 ?-999 ?-999 ? CH3 ACT A 102 mSER~A 87 7.13 34.20 -3.64 7.92 34.75 -3.92 4.66 34.73 -3.45 3.63 34.63 -2.77 6.04 34.67 -2.78 6.37 35.99 -2.11 2 0 9.21-999 ?-999 ?-999 ? CH3 ACT A 102 mHIS.A 88 4.64 34.83 -4.77 5.53 34.95 -5.21 2.64 33.40 -5.34 1.44 33.29 -5.61 3.37 34.76 -5.49 3.59 35.10 -6.98 3 0 12.85-999 ?-999 ?-999 ? CH3 ACT A 102 mLEU.A 89 3.38 32.37 -4.92 4.33 32.59 -4.72 1.92 30.90 -3.55 1.08 30.01 -3.51 2.82 31.04 -4.78 3.93 29.99 -4.69 3 0 12.26-999 ?-999 ?-999 ? CH3 ACT A 102 mTRP^A 90 2.17 31.69 -2.51 2.85 32.41 -2.68 0.52 32.62 -0.90 0.78 33.76 -1.27 1.45 31.48 -1.24 2.43 31.23 -0.09 3 0 11.19-999 ?-999 ?-999 ? CH3 ACT A 102 mSER^A 91 -0.56 32.28 -0.20 -0.63 31.30 0.00 -1.40 33.59 1.72 -1.92 34.61 2.15 -1.55 33.23 0.26 -2.94 32.62 0.10 2 0 13.54-999 ?-999 ?-999 ? CH3 ACT A 102 mLYS^A 92 -0.77 32.73 2.50 -0.35 31.97 2.00 0.55 32.11 4.42 0.86 31.04 3.90 -0.71 32.88 3.96 -1.92 32.24 4.59 2 0 11.92-999 ?-999 ?-999 ? O ACT A 102 mVAL^A 93 1.21 32.68 5.43 0.84 33.57 5.68 2.18 32.30 7.61 1.64 33.34 8.05 2.35 32.07 6.10 3.66 32.71 5.63 3 0 8.73-999 ?-999 ?-999 ? O ACT A 102 mVAL^A 94 2.62 31.31 8.40 2.89 30.49 7.90 4.12 30.97 10.19 4.57 29.94 9.72 2.70 31.40 9.85 1.72 30.44 10.56 3 0 9.33-999 ?-999 ?-999 ? O ACT A 102 mVAL^A 95 4.77 31.75 11.06 4.22 32.52 11.38 6.15 31.35 13.00 5.53 32.16 13.70 6.14 31.51 11.48 7.08 32.65 11.08 3 0 7.52-999 ?-999 ?-999 ? O ACT A 102 mTYR^A 96 6.88 30.36 13.50 7.24 29.76 12.78 8.63 30.05 15.07 9.27 29.11 14.50 7.13 30.14 14.92 6.49 28.87 15.46 3 0 10.10-999 ?-999 ?-999 ? OXT ACT A 102 mASP^A 97 9.21 30.96 15.86 8.58 31.63 16.25 10.85 30.58 17.58 10.46 31.34 18.44 10.64 30.95 16.11 11.27 32.31 15.86 2 0 9.96-999 ?-999 ?-999 ? OXT ACT A 102 mSER^A 98 11.45 29.41 17.83 11.80 28.93 17.03 13.02 28.77 19.61 13.81 28.40 18.77 11.56 28.91 19.23 10.84 27.58 19.43 2 0 13.17-999 ?-999 ?-999 ? OXT ACT A 102 mMETA 99 13.39 29.11 20.84 12.70 29.58 21.38 14.62 27.58 22.24 13.73 27.50 23.08 14.74 28.78 21.31 15.48 29.98 21.93 2 0 15.43-999 ?-999 ?-999 ? OXT ACT A 102 mSER^A 100 15.50 26.60 22.05 16.22 26.78 21.37 15.80 25.65 24.25 16.60 26.55 24.55 15.39 25.39 22.80 16.22 24.27 22.15 2 0 17.82-999 ?-999 ?-999 ? OXT ACT A 102 mVAL^A 101 15.18 24.89 25.14 14.52 24.26 24.72 15.67 23.52 27.06 15.87 23.39 28.29 15.42 24.95 26.57 14.19 25.53 27.33 3 0 21.48-999 ?-999 ?-999 ? OXT ACT A 102