============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 18 1.000 123.966 9.036 -18.162 -99.200 -91.000 TRP 29 1.040 133.812 10.084 -13.623 -99.200 -91.000 TRP6 29 1.020 132.647 8.626 -15.079 -99.200 -91.000 TRP 39 1.040 113.954 20.181 0.140 -99.200 -91.000 TRP6 39 1.020 113.816 22.389 -0.713 -99.200 -91.000 TYR 48 0.840 104.057 19.849 -6.347 -99.200 -91.000 TRP 54 1.040 103.069 29.302 0.139 -99.200 -91.000 TRP6 54 1.020 104.081 30.396 1.963 -99.200 -91.000 PHE 56 1.000 111.115 36.462 -3.373 -99.200 -91.000 PHE 58 1.000 110.502 24.914 -4.093 -99.200 -91.000 TYR 61 0.840 115.151 26.062 2.486 -99.200 -91.000 PHE 82 1.000 129.688 13.577 -14.001 -99.200 -91.000 PHE 83 1.000 128.118 21.290 -9.200 -99.200 -91.000 TYR 88 0.840 124.623 29.025 -14.293 -99.200 -91.000 TYR 92 0.840 119.084 32.667 -16.640 -99.200 -91.000 PHE 94 1.000 112.524 23.792 -12.429 -99.200 -91.000 TYR 99 0.840 107.896 37.928 -14.866 -99.200 -91.000 TRP 109 1.040 111.378 37.774 -13.659 -99.200 -91.000 TRP6 109 1.020 112.596 35.794 -13.279 -99.200 -91.000 TYR 112 0.840 115.254 33.608 -8.586 -99.200 -91.000 TRP 115 1.040 119.337 35.881 -3.015 -99.200 -91.000 TRP6 115 1.020 118.589 33.785 -3.783 -99.200 -91.000 HIS 116 0.900 120.675 32.856 -9.923 -99.200 -91.000 TRP 118 1.040 125.380 40.782 -3.736 -99.200 -91.000 TRP6 118 1.020 125.183 39.738 -1.637 -99.200 -91.000 PHE 123 1.000 129.100 32.668 -2.032 -99.200 -91.000 TYR 134 0.840 118.315 19.323 -23.476 -99.200 -91.000 HIS 144 0.900 104.879 5.256 -18.423 -99.200 -91.000 TYR 147 0.840 100.920 5.229 -13.089 -99.200 -91.000 TYR 161 0.840 105.442 22.855 -14.477 -99.200 -91.000 HIS 166 0.900 111.587 19.190 -25.060 -99.200 -91.000 TYR 167 0.840 109.762 27.479 -26.858 -99.200 -91.000 HIS 169 0.900 115.176 21.800 -19.182 -99.200 -91.000 TRP 172 1.040 120.608 27.419 -20.782 -99.200 -91.000 TRP6 172 1.020 120.550 26.161 -18.804 -99.200 -91.000 HIS 175 0.900 116.424 25.168 -30.983 -99.200 -91.000 PHE 182 1.000 124.869 34.025 -13.970 -99.200 -91.000 TYR 184 0.840 130.166 30.471 -16.495 -99.200 -91.000 PHE 199 1.000 118.573 6.531 -18.620 -99.200 -91.000 TYR 203 0.840 125.355 1.944 -17.401 -99.200 -91.000 PHE 213 1.000 130.599 17.711 -22.437 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zi6A1 ARG 1020 HA -0.02 -0.04 0.17 -0.75 4.34 3.69 2zi6A1 ARG 1020 HB2 -0.01 -0.05 0.05 -0.04 1.90 1.85 2zi6A1 ARG 1020 HB3 -0.01 -0.02 -0.03 -0.04 1.80 1.70 2zi6A1 ARG 1020 HG2 -0.01 -0.01 0.05 -0.04 1.67 1.66 2zi6A1 ARG 1020 HG3 -0.01 -0.05 0.02 -0.04 1.67 1.59 2zi6A1 ARG 1020 HD2 -0.01 0.04 -0.04 -0.04 3.22 3.17 2zi6A1 ARG 1020 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.15 2zi6A1 ILE 1021 H -0.01 0.09 0.03 -0.55 8.25 7.81 2zi6A1 ILE 1021 HA -0.02 0.01 0.55 -0.75 4.18 3.96 2zi6A1 ILE 1021 HB -0.01 -0.00 0.15 -0.04 1.89 1.99 2zi6A1 ILE 1021 HG12 0.00 -0.03 -0.04 -0.04 1.49 1.38 2zi6A1 ILE 1021 HG13 0.00 -0.03 0.03 -0.04 1.21 1.18 2zi6A1 ILE 1021 HG23 -0.05 -0.01 -0.32 -0.04 0.93 0.51 2zi6A1 ILE 1021 HD13 0.02 0.01 -0.06 -0.04 0.88 0.81 2zi6A1 LYS 1022 H -0.08 0.79 0.10 -0.55 8.42 8.68 2zi6A1 LYS 1022 HA -0.09 0.06 0.39 -0.75 4.32 3.92 2zi6A1 LYS 1022 HB2 -0.12 0.29 0.27 -0.04 1.87 2.27 2zi6A1 LYS 1022 HB3 -0.21 -0.13 -0.07 -0.04 1.79 1.35 2zi6A1 LYS 1022 HG2 -0.12 -0.08 -0.01 -0.04 1.46 1.21 2zi6A1 LYS 1022 HG3 -0.08 0.01 0.01 -0.04 1.46 1.36 2zi6A1 LYS 1022 HD2 -0.06 0.07 0.01 -0.04 1.69 1.68 2zi6A1 LYS 1022 HD3 -0.08 0.01 0.01 -0.04 1.68 1.58 2zi6A1 LYS 1022 HE2 -0.10 -0.08 0.02 -0.04 2.99 2.78 2zi6A1 LYS 1022 HE3 -0.07 0.02 0.02 -0.04 2.99 2.92 2zi6A1 LYS 1023 H -0.12 0.14 0.20 -0.55 8.42 8.09 2zi6A1 LYS 1023 HA -0.46 0.34 0.97 -0.75 4.32 4.41 2zi6A1 LYS 1023 HB2 -0.01 0.03 0.12 -0.04 1.87 1.97 2zi6A1 LYS 1023 HB3 -0.13 -0.09 -0.11 -0.04 1.79 1.42 2zi6A1 LYS 1023 HG2 -0.15 -0.06 -0.11 -0.04 1.46 1.10 2zi6A1 LYS 1023 HG3 -0.09 0.14 -0.35 -0.04 1.46 1.12 2zi6A1 LYS 1023 HD2 0.15 -0.11 -0.22 -0.04 1.69 1.46 2zi6A1 LYS 1023 HD3 0.27 0.24 0.16 -0.04 1.68 2.31 2zi6A1 LYS 1023 HE2 0.06 -0.12 0.14 -0.04 2.99 3.03 2zi6A1 LYS 1023 HE3 0.00 0.24 0.04 -0.04 2.99 3.23 2zi6A1 ILE 1024 H -0.49 0.69 0.30 -0.55 8.25 8.19 2zi6A1 ILE 1024 HA -0.06 0.26 0.82 -0.75 4.18 4.45 2zi6A1 ILE 1024 HB -0.49 0.01 0.04 -0.04 1.89 1.41 2zi6A1 ILE 1024 HG12 -0.41 0.02 -0.37 -0.04 1.49 0.68 2zi6A1 ILE 1024 HG13 -0.42 0.02 -0.18 -0.04 1.21 0.58 2zi6A1 ILE 1024 HG23 0.11 -0.02 -0.30 -0.04 0.93 0.67 2zi6A1 ILE 1024 HD13 -0.00 0.01 -0.21 -0.04 0.88 0.63 2zi6A1 SER 1025 H 0.05 0.45 0.30 -0.55 8.46 8.72 2zi6A1 SER 1025 HA 0.16 0.22 0.90 -0.75 4.49 5.01 2zi6A1 SER 1025 HB2 0.29 0.05 0.00 -0.04 3.95 4.25 2zi6A1 SER 1025 HB3 0.17 -0.05 0.00 -0.04 3.93 4.01 2zi6A1 ILE 1026 H 0.14 0.55 0.27 -0.55 8.25 8.65 2zi6A1 ILE 1026 HA 0.06 0.26 0.75 -0.75 4.18 4.50 2zi6A1 ILE 1026 HB 0.10 -0.05 0.27 -0.04 1.89 2.16 2zi6A1 ILE 1026 HG12 0.12 0.10 -0.05 -0.04 1.49 1.62 2zi6A1 ILE 1026 HG13 -0.02 -0.01 -0.07 -0.04 1.21 1.07 2zi6A1 ILE 1026 HG23 0.07 -0.01 -0.08 -0.04 0.93 0.87 2zi6A1 ILE 1026 HD13 0.03 0.01 -0.11 -0.04 0.88 0.77 2zi6A1 GLU 1027 H 0.05 0.72 0.23 -0.55 8.60 9.05 2zi6A1 GLU 1027 HA 0.21 0.07 0.99 -0.75 4.29 4.80 2zi6A1 GLU 1027 HB2 0.03 0.03 -0.03 -0.04 2.09 2.08 2zi6A1 GLU 1027 HB3 0.24 -0.04 -0.01 -0.04 1.99 2.14 2zi6A1 GLU 1027 HG2 0.05 -0.02 -0.38 -0.04 2.34 1.95 2zi6A1 GLU 1027 HG3 -0.26 0.09 -0.16 -0.04 2.34 1.97 2zi6A1 GLY 1028 H 0.25 0.19 0.14 -0.55 8.43 8.46 2zi6A1 GLY 1028 HA2 -0.12 0.12 0.36 -0.51 4.01 3.86 2zi6A1 GLY 1028 HA3 0.01 0.03 0.44 -0.51 4.01 3.98 2zi6A1 ASN 1029 H -0.26 0.17 0.10 -0.55 8.53 8.00 2zi6A1 ASN 1029 HA 0.12 0.04 0.46 -0.75 4.76 4.63 2zi6A1 ASN 1029 HB2 -0.02 0.01 0.10 -0.04 2.88 2.93 2zi6A1 ASN 1029 HB3 0.02 0.05 -0.04 -0.04 2.79 2.78 2zi6A1 ASN 1029 HD21 0.05 0.13 0.16 -0.04 7.03 7.32 2zi6A1 ASN 1029 HD22 0.08 -0.01 0.00 -0.04 7.74 7.77 2zi6A1 ILE 1030 H 0.14 0.09 0.08 -0.55 8.25 8.01 2zi6A1 ILE 1030 HA 0.16 0.01 0.39 -0.75 4.18 3.98 2zi6A1 ILE 1030 HB 0.12 0.04 0.05 -0.04 1.89 2.05 2zi6A1 ILE 1030 HG12 0.28 0.00 0.04 -0.04 1.49 1.77 2zi6A1 ILE 1030 HG13 0.11 -0.08 0.08 -0.04 1.21 1.29 2zi6A1 ILE 1030 HG23 0.16 0.03 -0.07 -0.04 0.93 1.01 2zi6A1 ILE 1030 HD13 0.26 0.02 -0.04 -0.04 0.88 1.09 2zi6A1 ALA 1031 H 0.09 0.09 0.15 -0.55 8.40 8.19 2zi6A1 ALA 1031 HA 0.06 -0.08 0.30 -0.75 4.34 3.86 2zi6A1 ALA 1031 HB3 0.05 0.09 -0.11 -0.04 1.41 1.40 2zi6A1 ALA 1032 H 0.06 0.26 -0.27 -0.55 8.40 7.90 2zi6A1 ALA 1032 HA 0.03 0.18 0.48 -0.75 4.34 4.28 2zi6A1 ALA 1032 HB3 0.00 -0.02 -0.07 -0.04 1.41 1.28 2zi6A1 GLY 1033 H 0.08 -0.07 -0.28 -0.55 8.43 7.61 2zi6A1 GLY 1033 HA2 0.13 0.07 0.19 -0.51 4.01 3.89 2zi6A1 GLY 1033 HA3 0.33 0.35 0.82 -0.51 4.01 5.00 2zi6A1 LYS 1034 H 0.09 0.06 -0.05 -0.55 8.42 7.97 2zi6A1 LYS 1034 HA 0.10 0.13 0.17 -0.75 4.32 3.96 2zi6A1 LYS 1034 HB2 0.09 -0.10 0.10 -0.04 1.87 1.91 2zi6A1 LYS 1034 HB3 0.09 0.08 -0.09 -0.04 1.79 1.83 2zi6A1 LYS 1034 HG2 0.08 0.08 -0.20 -0.04 1.46 1.37 2zi6A1 LYS 1034 HG3 0.07 -0.03 -0.09 -0.04 1.46 1.36 2zi6A1 LYS 1034 HD2 0.13 0.12 -0.07 -0.04 1.69 1.83 2zi6A1 LYS 1034 HD3 0.13 -0.06 -0.15 -0.04 1.68 1.56 2zi6A1 LYS 1034 HE2 0.11 -0.12 -0.02 -0.04 2.99 2.92 2zi6A1 LYS 1034 HE3 0.16 -0.00 -0.04 -0.04 2.99 3.06 2zi6A1 SER 1035 H 0.08 0.08 -0.06 -0.55 8.46 8.01 2zi6A1 SER 1035 HA 0.05 0.09 0.39 -0.75 4.49 4.26 2zi6A1 SER 1035 HB2 0.05 -0.01 0.08 -0.04 3.95 4.03 2zi6A1 SER 1035 HB3 0.05 -0.01 0.00 -0.04 3.93 3.93 2zi6A1 THR 1036 H 0.12 0.26 -0.38 -0.55 8.28 7.73 2zi6A1 THR 1036 HA 0.07 0.11 0.46 -0.75 4.39 4.27 2zi6A1 THR 1036 HB 0.22 0.23 0.15 -0.04 4.32 4.88 2zi6A1 THR 1036 HG23 0.12 -0.00 -0.11 -0.04 1.22 1.18 2zi6A1 PHE 1037 H 0.29 0.43 -0.01 -0.55 8.34 8.50 2zi6A1 PHE 1037 HA -0.07 0.06 0.37 -0.75 4.62 4.22 2zi6A1 PHE 1037 HB2 -0.21 0.01 -0.02 -0.04 3.15 2.88 2zi6A1 PHE 1037 HB3 -0.16 0.06 -0.08 -0.04 3.06 2.84 2zi6A1 PHE 1037 HD2 -0.27 -0.00 -0.08 -0.04 7.28 6.89 2zi6A1 PHE 1037 HE2 -0.19 0.00 -0.09 -0.04 7.38 7.07 2zi6A1 PHE 1037 HZ -0.15 -0.05 -0.29 -0.04 7.32 6.78 2zi6A1 VAL 1038 H 0.01 0.31 -0.41 -0.55 8.24 7.60 2zi6A1 VAL 1038 HA -0.41 0.10 0.33 -0.75 4.13 3.40 2zi6A1 VAL 1038 HB -0.02 0.17 0.05 -0.04 2.12 2.28 2zi6A1 VAL 1038 HG13 -0.02 0.01 -0.24 -0.04 0.97 0.67 2zi6A1 VAL 1038 HG23 -0.11 -0.00 -0.12 -0.04 0.95 0.68 2zi6A1 ASN 1039 H -0.05 0.28 -0.21 -0.55 8.53 8.01 2zi6A1 ASN 1039 HA -0.04 0.13 0.62 -0.75 4.76 4.71 2zi6A1 ASN 1039 HB2 -0.01 0.08 0.17 -0.04 2.88 3.08 2zi6A1 ASN 1039 HB3 -0.01 -0.00 -0.03 -0.04 2.79 2.70 2zi6A1 ASN 1039 HD21 0.01 -0.00 -0.01 -0.04 7.03 6.98 2zi6A1 ASN 1039 HD22 0.00 0.02 0.04 -0.04 7.74 7.76 2zi6A1 ILE 1040 H -0.10 0.49 -0.14 -0.55 8.25 7.95 2zi6A1 ILE 1040 HA -0.16 0.03 0.35 -0.75 4.18 3.65 2zi6A1 ILE 1040 HB -0.18 0.03 0.19 -0.04 1.89 1.89 2zi6A1 ILE 1040 HG12 -0.25 0.00 0.04 -0.04 1.49 1.24 2zi6A1 ILE 1040 HG13 -0.02 0.06 0.04 -0.04 1.21 1.25 2zi6A1 ILE 1040 HG23 -0.78 -0.01 -0.23 -0.04 0.93 -0.13 2zi6A1 ILE 1040 HD13 0.13 -0.05 -0.11 -0.04 0.88 0.80 2zi6A1 LEU 1041 H -0.39 0.40 -0.44 -0.55 8.37 7.40 2zi6A1 LEU 1041 HA -0.09 -0.01 0.41 -0.75 4.35 3.91 2zi6A1 LEU 1041 HB2 -0.64 0.07 0.09 -0.04 1.64 1.11 2zi6A1 LEU 1041 HB3 -0.78 0.03 -0.08 -0.04 1.64 0.77 2zi6A1 LEU 1041 HG -1.14 -0.01 -0.01 -0.04 1.64 0.44 2zi6A1 LEU 1041 HD13 -1.32 -0.03 -0.15 -0.04 0.93 -0.61 2zi6A1 LEU 1041 HD23 -0.76 -0.02 -0.04 -0.04 0.89 0.03 2zi6A1 LYS 1042 H -0.09 0.15 -0.54 -0.55 8.42 7.38 2zi6A1 LYS 1042 HA 0.11 0.13 0.22 -0.75 4.32 4.03 2zi6A1 LYS 1042 HB2 0.01 -0.02 0.12 -0.04 1.87 1.93 2zi6A1 LYS 1042 HB3 -0.02 0.12 0.24 -0.04 1.79 2.09 2zi6A1 LYS 1042 HG2 0.02 -0.04 -0.14 -0.04 1.46 1.25 2zi6A1 LYS 1042 HG3 0.05 0.06 0.03 -0.04 1.46 1.55 2zi6A1 LYS 1042 HD2 0.02 -0.06 0.03 -0.04 1.69 1.64 2zi6A1 LYS 1042 HD3 0.03 -0.05 0.01 -0.04 1.68 1.63 2zi6A1 LYS 1042 HE2 0.05 -0.06 0.09 -0.04 2.99 3.03 2zi6A1 LYS 1042 HE3 0.05 -0.01 0.08 -0.04 2.99 3.07 2zi6A1 GLN 1043 H 0.02 0.27 -0.56 -0.55 8.47 7.65 2zi6A1 GLN 1043 HA 0.02 0.14 0.64 -0.75 4.36 4.40 2zi6A1 GLN 1043 HB2 0.02 0.04 -0.07 -0.04 2.15 2.10 2zi6A1 GLN 1043 HB3 0.02 -0.07 0.06 -0.04 2.02 1.98 2zi6A1 GLN 1043 HG2 -0.00 -0.00 -0.08 -0.04 2.40 2.28 2zi6A1 GLN 1043 HG3 -0.02 -0.00 0.01 -0.04 2.39 2.34 2zi6A1 GLN 1043 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 2zi6A1 GLN 1043 HE22 0.01 0.07 -0.04 -0.04 7.69 7.70 2zi6A1 LEU 1044 H 0.10 0.43 -0.18 -0.55 8.37 8.18 2zi6A1 LEU 1044 HA -0.04 0.03 0.41 -0.75 4.35 4.00 2zi6A1 LEU 1044 HB2 0.24 0.20 0.13 -0.04 1.64 2.17 2zi6A1 LEU 1044 HB3 -0.15 -0.08 0.01 -0.04 1.64 1.38 2zi6A1 LEU 1044 HG 0.09 0.26 0.10 -0.04 1.64 2.05 2zi6A1 LEU 1044 HD13 0.30 -0.04 -0.05 -0.04 0.93 1.10 2zi6A1 LEU 1044 HD23 0.14 -0.03 -0.07 -0.04 0.89 0.89 2zi6A1 SER 1045 H -0.07 0.34 -0.13 -0.55 8.46 8.06 2zi6A1 SER 1045 HA -0.33 0.12 0.91 -0.75 4.49 4.44 2zi6A1 SER 1045 HB2 -1.36 0.07 -0.21 -0.04 3.95 2.41 2zi6A1 SER 1045 HB3 -1.81 0.08 -0.08 -0.04 3.93 2.08 2zi6A1 GLU 1046 H -0.17 0.16 0.14 -0.55 8.60 8.19 2zi6A1 GLU 1046 HA -0.03 0.12 0.45 -0.75 4.29 4.07 2zi6A1 GLU 1046 HB2 -0.09 -0.07 0.18 -0.04 2.09 2.07 2zi6A1 GLU 1046 HB3 -0.04 0.04 -0.06 -0.04 1.99 1.89 2zi6A1 GLU 1046 HG2 -0.05 -0.02 0.06 -0.04 2.34 2.29 2zi6A1 GLU 1046 HG3 -0.03 0.02 0.04 -0.04 2.34 2.34 2zi6A1 ASP 1047 H -0.16 0.00 -0.28 -0.55 8.40 7.41 2zi6A1 ASP 1047 HA 0.06 0.10 0.29 -0.75 4.63 4.32 2zi6A1 ASP 1047 HB2 -0.14 -0.03 -0.01 -0.04 2.71 2.49 2zi6A1 ASP 1047 HB3 0.12 0.35 0.03 -0.04 2.70 3.16 2zi6A1 TRP 1048 H 0.19 0.51 -0.74 -0.55 7.97 7.37 2zi6A1 TRP 1048 HA 0.10 0.34 1.09 -0.75 4.62 5.39 2zi6A1 TRP 1048 HB2 0.05 0.07 0.13 -0.04 3.23 3.44 2zi6A1 TRP 1048 HB3 0.16 -0.01 -0.11 -0.04 3.23 3.24 2zi6A1 TRP 1048 HD1 0.06 0.31 -0.42 -0.04 7.22 7.13 2zi6A1 TRP 1048 HE1 0.07 0.04 -0.11 -0.04 10.20 10.16 2zi6A1 TRP 1048 HE3 -0.07 0.42 0.06 -0.04 7.59 7.96 2zi6A1 TRP 1048 HZ2 0.07 0.01 -0.10 -0.04 7.44 7.38 2zi6A1 TRP 1048 HZ3 -0.11 -0.06 0.00 -0.04 7.13 6.92 2zi6A1 TRP 1048 HH2 0.01 -0.04 -0.08 -0.04 7.19 7.03 2zi6A1 GLU 1049 H 0.20 0.45 0.31 -0.55 8.60 9.01 2zi6A1 GLU 1049 HA 0.15 0.23 0.92 -0.75 4.29 4.83 2zi6A1 GLU 1049 HB2 0.09 -0.01 0.07 -0.04 2.09 2.20 2zi6A1 GLU 1049 HB3 0.09 -0.03 0.20 -0.04 1.99 2.20 2zi6A1 GLU 1049 HG2 0.14 -0.13 -0.55 -0.04 2.34 1.75 2zi6A1 GLU 1049 HG3 0.08 0.02 -0.11 -0.04 2.34 2.29 2zi6A1 VAL 1050 H 0.09 0.25 0.22 -0.55 8.24 8.25 2zi6A1 VAL 1050 HA 0.13 0.23 1.16 -0.75 4.13 4.89 2zi6A1 VAL 1050 HB 0.06 -0.03 -0.05 -0.04 2.12 2.05 2zi6A1 VAL 1050 HG13 0.06 -0.04 -0.36 -0.04 0.97 0.59 2zi6A1 VAL 1050 HG23 0.01 0.02 -0.28 -0.04 0.95 0.66 2zi6A1 VAL 1051 H 0.21 0.68 0.30 -0.55 8.24 8.87 2zi6A1 VAL 1051 HA 0.09 0.26 0.97 -0.75 4.13 4.71 2zi6A1 VAL 1051 HB 0.08 0.04 0.05 -0.04 2.12 2.25 2zi6A1 VAL 1051 HG13 0.28 0.05 -0.17 -0.04 0.97 1.09 2zi6A1 VAL 1051 HG23 0.14 -0.02 0.05 -0.04 0.95 1.08 2zi6A1 PRO 1052 HA 0.04 -0.07 0.46 -0.51 4.44 4.36 2zi6A1 PRO 1052 HB2 -0.01 0.02 -0.19 -0.04 2.28 2.06 2zi6A1 PRO 1052 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 2zi6A1 PRO 1052 HG2 0.02 0.04 0.02 -0.04 2.03 2.07 2zi6A1 PRO 1052 HG3 0.03 0.04 0.01 -0.04 2.03 2.06 2zi6A1 PRO 1052 HD2 0.04 0.15 0.18 -0.04 3.68 4.02 2zi6A1 PRO 1052 HD3 0.05 0.22 -0.21 -0.04 3.65 3.67 2zi6A1 GLU 1053 H 0.01 0.02 0.20 -0.55 8.60 8.27 2zi6A1 GLU 1053 HA -0.08 0.23 0.65 -0.75 4.29 4.33 2zi6A1 GLU 1053 HB2 0.01 0.16 0.16 -0.04 2.09 2.38 2zi6A1 GLU 1053 HB3 -0.05 -0.12 0.16 -0.04 1.99 1.94 2zi6A1 GLU 1053 HG2 -0.21 -0.31 -0.17 -0.04 2.34 1.62 2zi6A1 GLU 1053 HG3 -0.10 0.13 0.05 -0.04 2.34 2.37 2zi6A1 PRO 1054 HA -0.26 0.09 0.40 -0.51 4.44 4.17 2zi6A1 PRO 1054 HB2 -0.61 -0.02 -0.01 -0.04 2.28 1.60 2zi6A1 PRO 1054 HB3 -0.25 0.05 0.04 -0.04 2.02 1.82 2zi6A1 PRO 1054 HG2 -0.20 0.11 -0.32 -0.04 2.03 1.58 2zi6A1 PRO 1054 HG3 -0.14 0.11 0.06 -0.04 2.03 2.02 2zi6A1 PRO 1054 HD2 -0.23 0.00 0.19 -0.04 3.68 3.61 2zi6A1 PRO 1054 HD3 -0.13 0.45 0.36 -0.04 3.65 4.29 2zi6A1 VAL 1055 H -0.66 0.14 -0.19 -0.55 8.24 6.98 2zi6A1 VAL 1055 HA -1.58 0.06 0.36 -0.75 4.13 2.22 2zi6A1 VAL 1055 HB -0.23 -0.01 -0.08 -0.04 2.12 1.75 2zi6A1 VAL 1055 HG13 0.19 0.01 -0.07 -0.04 0.97 1.06 2zi6A1 VAL 1055 HG23 -0.59 0.01 -0.02 -0.04 0.95 0.31 2zi6A1 ALA 1056 H -0.22 0.35 -0.53 -0.55 8.40 7.46 2zi6A1 ALA 1056 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 2zi6A1 ALA 1056 HB3 -0.03 -0.00 0.07 -0.04 1.41 1.41 2zi6A1 ARG 1057 H -0.09 0.26 -0.14 -0.55 8.46 7.93 2zi6A1 ARG 1057 HA 0.08 0.06 0.34 -0.75 4.34 4.06 2zi6A1 ARG 1057 HB2 0.18 0.02 0.00 -0.04 1.90 2.06 2zi6A1 ARG 1057 HB3 0.12 -0.01 0.04 -0.04 1.80 1.91 2zi6A1 ARG 1057 HG2 0.04 0.01 -0.01 -0.04 1.67 1.66 2zi6A1 ARG 1057 HG3 -0.01 -0.07 0.02 -0.04 1.67 1.57 2zi6A1 ARG 1057 HD2 0.06 0.01 0.02 -0.04 3.22 3.28 2zi6A1 ARG 1057 HD3 0.05 0.01 -0.01 -0.04 3.22 3.22 2zi6A1 TRP 1058 H 0.12 0.24 -0.36 -0.55 7.97 7.42 2zi6A1 TRP 1058 HA 0.05 -0.01 0.28 -0.75 4.62 4.19 2zi6A1 TRP 1058 HB2 0.11 0.18 0.04 -0.04 3.23 3.52 2zi6A1 TRP 1058 HB3 0.11 -0.07 -0.18 -0.04 3.23 3.05 2zi6A1 TRP 1058 HD1 0.03 -0.04 -0.14 -0.04 7.22 7.03 2zi6A1 TRP 1058 HE1 -0.05 0.01 -0.05 -0.04 10.20 10.07 2zi6A1 TRP 1058 HE3 0.28 0.05 -0.05 -0.04 7.59 7.82 2zi6A1 TRP 1058 HZ2 -0.62 0.06 -0.06 -0.04 7.44 6.77 2zi6A1 TRP 1058 HZ3 -1.03 -0.03 -0.07 -0.04 7.13 5.96 2zi6A1 TRP 1058 HH2 -0.58 -0.00 -0.39 -0.04 7.19 6.17 2zi6A1 GLY 1078 HA2 -1.42 -0.01 0.24 -0.51 4.01 2.31 2zi6A1 GLY 1078 HA3 -2.94 0.10 0.34 -0.51 4.01 1.00 2zi6A1 GLY 1079 H -0.34 0.33 1.37 -0.55 8.43 9.25 2zi6A1 GLY 1079 HA2 0.04 0.19 0.46 -0.51 4.01 4.19 2zi6A1 GLY 1079 HA3 -0.05 0.13 0.67 -0.51 4.01 4.24 2zi6A1 ASN 1080 H -0.21 0.16 -0.04 -0.55 8.53 7.90 2zi6A1 ASN 1080 HA -0.13 0.22 0.85 -0.75 4.76 4.94 2zi6A1 ASN 1080 HB2 -0.21 0.01 0.11 -0.04 2.88 2.75 2zi6A1 ASN 1080 HB3 -0.25 0.02 -0.07 -0.04 2.79 2.46 2zi6A1 ASN 1080 HD21 -0.08 0.04 -0.00 -0.04 7.03 6.94 2zi6A1 ASN 1080 HD22 -0.12 -0.03 0.06 -0.04 7.74 7.60 2zi6A1 VAL 1081 H -0.27 0.14 -0.14 -0.55 8.24 7.42 2zi6A1 VAL 1081 HA -0.34 0.05 0.33 -0.75 4.13 3.42 2zi6A1 VAL 1081 HB -0.28 0.01 0.07 -0.04 2.12 1.88 2zi6A1 VAL 1081 HG13 -0.10 0.01 -0.05 -0.04 0.97 0.79 2zi6A1 VAL 1081 HG23 0.01 0.01 -0.06 -0.04 0.95 0.88 2zi6A1 LEU 1082 H 0.03 0.77 -0.34 -0.55 8.37 8.28 2zi6A1 LEU 1082 HA -0.01 0.03 0.52 -0.75 4.35 4.13 2zi6A1 LEU 1082 HB2 0.68 0.01 -0.01 -0.04 1.64 2.28 2zi6A1 LEU 1082 HB3 0.25 0.05 -0.05 -0.04 1.64 1.85 2zi6A1 LEU 1082 HG 0.24 0.00 -0.32 -0.04 1.64 1.52 2zi6A1 LEU 1082 HD13 -0.36 -0.03 0.01 -0.04 0.93 0.51 2zi6A1 LEU 1082 HD23 0.34 0.02 -0.09 -0.04 0.89 1.12 2zi6A1 GLN 1083 H -0.02 0.18 -0.57 -0.55 8.47 7.51 2zi6A1 GLN 1083 HA 0.13 0.04 0.40 -0.75 4.36 4.18 2zi6A1 GLN 1083 HB2 -0.02 0.40 0.31 -0.04 2.15 2.80 2zi6A1 GLN 1083 HB3 -0.04 -0.03 0.06 -0.04 2.02 1.97 2zi6A1 GLN 1083 HG2 0.03 -0.06 0.08 -0.04 2.40 2.42 2zi6A1 GLN 1083 HG3 0.04 0.03 0.08 -0.04 2.39 2.49 2zi6A1 GLN 1083 HE21 -0.01 -0.03 0.02 -0.04 6.97 6.91 2zi6A1 GLN 1083 HE22 0.00 0.05 0.06 -0.04 7.69 7.75 2zi6A1 MET 1084 H -0.21 0.85 -0.09 -0.55 8.47 8.47 2zi6A1 MET 1084 HA -0.13 0.03 0.46 -0.75 4.52 4.13 2zi6A1 MET 1084 HB2 -0.84 0.04 0.04 -0.04 2.15 1.35 2zi6A1 MET 1084 HB3 -1.73 -0.03 -0.02 -0.04 2.03 0.21 2zi6A1 MET 1084 HG2 -0.56 -0.02 -0.03 -0.04 2.63 1.98 2zi6A1 MET 1084 HG3 -0.34 -0.01 -0.02 -0.04 2.56 2.15 2zi6A1 MET 1084 HE3 -1.85 0.00 -0.07 -0.04 2.10 0.15 2zi6A1 MET 1085 H -0.14 0.40 -0.47 -0.55 8.47 7.72 2zi6A1 MET 1085 HA 0.01 -0.09 0.35 -0.75 4.52 4.04 2zi6A1 MET 1085 HB2 -0.33 0.10 0.13 -0.04 2.15 2.01 2zi6A1 MET 1085 HB3 -0.42 0.44 0.18 -0.04 2.03 2.19 2zi6A1 MET 1085 HG2 -1.18 -0.06 -0.03 -0.04 2.63 1.33 2zi6A1 MET 1085 HG3 -0.62 0.02 -0.15 -0.04 2.56 1.76 2zi6A1 MET 1085 HE3 -0.25 -0.00 -0.01 -0.04 2.10 1.80 2zi6A1 TYR 1086 H 0.03 0.35 -0.28 -0.55 8.29 7.84 2zi6A1 TYR 1086 HA -0.06 0.07 0.63 -0.75 4.56 4.45 2zi6A1 TYR 1086 HB2 -0.04 0.06 0.13 -0.04 3.06 3.16 2zi6A1 TYR 1086 HB3 -0.03 -0.02 0.05 -0.04 2.98 2.93 2zi6A1 TYR 1086 HD2 -0.05 0.01 -0.02 -0.04 7.15 7.05 2zi6A1 TYR 1086 HE2 -0.01 -0.06 -0.08 -0.04 6.85 6.66 2zi6A1 GLU 1087 H 0.09 0.22 -0.42 -0.55 8.60 7.94 2zi6A1 GLU 1087 HA 0.07 0.06 0.44 -0.75 4.29 4.11 2zi6A1 GLU 1087 HB2 0.07 0.07 0.21 -0.04 2.09 2.39 2zi6A1 GLU 1087 HB3 0.11 -0.03 -0.07 -0.04 1.99 1.96 2zi6A1 GLU 1087 HG2 0.03 -0.01 -0.03 -0.04 2.34 2.29 2zi6A1 GLU 1087 HG3 0.05 -0.05 0.00 -0.04 2.34 2.30 2zi6A1 LYS 1088 H 0.16 0.39 -0.25 -0.55 8.42 8.17 2zi6A1 LYS 1088 HA 0.06 0.12 0.58 -0.75 4.32 4.33 2zi6A1 LYS 1088 HB2 0.13 0.09 -0.17 -0.04 1.87 1.88 2zi6A1 LYS 1088 HB3 0.26 -0.01 0.16 -0.04 1.79 2.16 2zi6A1 LYS 1088 HG2 -0.04 -0.10 -0.02 -0.04 1.46 1.26 2zi6A1 LYS 1088 HG3 0.01 -0.03 0.00 -0.04 1.46 1.39 2zi6A1 LYS 1088 HD2 0.00 0.01 0.01 -0.04 1.69 1.67 2zi6A1 LYS 1088 HD3 0.05 0.08 -0.00 -0.04 1.68 1.77 2zi6A1 LYS 1088 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 2zi6A1 LYS 1088 HE3 -0.07 -0.05 -0.02 -0.04 2.99 2.82 2zi6A1 PRO 1089 HA 0.06 0.04 0.53 -0.51 4.44 4.57 2zi6A1 PRO 1089 HB2 -0.03 -0.02 0.07 -0.04 2.28 2.25 2zi6A1 PRO 1089 HB3 -0.07 0.17 0.17 -0.04 2.02 2.24 2zi6A1 PRO 1089 HG2 -0.03 0.01 0.11 -0.04 2.03 2.08 2zi6A1 PRO 1089 HG3 -0.05 0.10 0.08 -0.04 2.03 2.11 2zi6A1 PRO 1089 HD2 0.01 0.08 0.16 -0.04 3.68 3.89 2zi6A1 PRO 1089 HD3 0.02 0.30 -0.09 -0.04 3.65 3.84 2zi6A1 GLU 1090 H -0.01 0.20 -0.07 -0.55 8.60 8.18 2zi6A1 GLU 1090 HA -0.01 0.25 0.63 -0.75 4.29 4.41 2zi6A1 GLU 1090 HB2 -0.03 0.10 0.22 -0.04 2.09 2.33 2zi6A1 GLU 1090 HB3 -0.03 0.02 0.15 -0.04 1.99 2.09 2zi6A1 GLU 1090 HG2 -0.06 0.02 -0.33 -0.04 2.34 1.92 2zi6A1 GLU 1090 HG3 -0.04 0.02 -0.01 -0.04 2.34 2.27 2zi6A1 ARG 1091 H -0.07 0.20 -0.62 -0.55 8.46 7.43 2zi6A1 ARG 1091 HA -0.33 0.15 0.86 -0.75 4.34 4.27 2zi6A1 ARG 1091 HB2 -0.29 -0.04 0.03 -0.04 1.90 1.56 2zi6A1 ARG 1091 HB3 -0.38 0.24 0.08 -0.04 1.80 1.69 2zi6A1 ARG 1091 HG2 -0.70 -0.00 -0.00 -0.04 1.67 0.93 2zi6A1 ARG 1091 HG3 -2.97 -0.03 -0.14 -0.04 1.67 -1.51 2zi6A1 ARG 1091 HD2 -0.72 -0.02 0.23 -0.04 3.22 2.67 2zi6A1 ARG 1091 HD3 -0.44 0.01 0.08 -0.04 3.22 2.84 2zi6A1 TRP 1092 H 0.10 0.31 0.05 -0.55 7.97 7.88 2zi6A1 TRP 1092 HA 0.07 0.28 1.08 -0.75 4.62 5.30 2zi6A1 TRP 1092 HB2 -0.00 0.15 -0.18 -0.04 3.23 3.15 2zi6A1 TRP 1092 HB3 0.05 -0.08 -0.04 -0.04 3.23 3.13 2zi6A1 TRP 1092 HD1 -0.00 0.34 -0.05 -0.04 7.22 7.47 2zi6A1 TRP 1092 HE1 0.00 0.01 -0.04 -0.04 10.20 10.13 2zi6A1 TRP 1092 HE3 0.05 -0.13 0.04 -0.04 7.59 7.51 2zi6A1 TRP 1092 HZ2 -0.00 0.01 -0.03 -0.04 7.44 7.37 2zi6A1 TRP 1092 HZ3 0.01 -0.03 -0.01 -0.04 7.13 7.06 2zi6A1 TRP 1092 HH2 -0.01 -0.00 -0.02 -0.04 7.19 7.12 2zi6A1 SER 1093 H 0.14 0.51 0.20 -0.55 8.46 8.76 2zi6A1 SER 1093 HA 0.15 0.02 0.37 -0.75 4.49 4.27 2zi6A1 SER 1093 HB2 0.09 0.28 0.18 -0.04 3.95 4.46 2zi6A1 SER 1093 HB3 0.11 -0.06 -0.11 -0.04 3.93 3.83 2zi6A1 PHE 1094 H 0.27 0.23 -0.10 -0.55 8.34 8.19 2zi6A1 PHE 1094 HA 0.13 0.03 0.37 -0.75 4.62 4.40 2zi6A1 PHE 1094 HB2 0.09 -0.03 0.06 -0.04 3.15 3.23 2zi6A1 PHE 1094 HB3 0.06 0.05 -0.01 -0.04 3.06 3.13 2zi6A1 PHE 1094 HD2 0.11 0.00 -0.16 -0.04 7.28 7.18 2zi6A1 PHE 1094 HE2 0.05 0.04 -0.10 -0.04 7.38 7.33 2zi6A1 PHE 1094 HZ -0.05 0.05 -0.09 -0.04 7.32 7.19 2zi6A1 THR 1095 H 0.35 0.19 -0.39 -0.55 8.28 7.88 2zi6A1 THR 1095 HA 0.09 0.05 0.36 -0.75 4.39 4.14 2zi6A1 THR 1095 HB 0.54 0.11 0.10 -0.04 4.32 5.03 2zi6A1 THR 1095 HG23 0.23 -0.01 -0.01 -0.04 1.22 1.40 2zi6A1 PHE 1096 H 0.38 0.64 -0.08 -0.55 8.34 8.73 2zi6A1 PHE 1096 HA 0.18 0.01 0.48 -0.75 4.62 4.54 2zi6A1 PHE 1096 HB2 0.13 0.09 0.05 -0.04 3.15 3.38 2zi6A1 PHE 1096 HB3 0.12 0.07 0.14 -0.04 3.06 3.35 2zi6A1 PHE 1096 HD2 0.10 0.00 -0.31 -0.04 7.28 7.04 2zi6A1 PHE 1096 HE2 0.24 0.01 -0.10 -0.04 7.38 7.48 2zi6A1 PHE 1096 HZ 0.12 -0.01 -0.06 -0.04 7.32 7.33 2zi6A1 GLN 1097 H 0.25 0.65 -0.03 -0.55 8.47 8.80 2zi6A1 GLN 1097 HA 0.18 -0.05 0.33 -0.75 4.36 4.07 2zi6A1 GLN 1097 HB2 0.01 0.11 0.12 -0.04 2.15 2.34 2zi6A1 GLN 1097 HB3 0.03 -0.05 0.02 -0.04 2.02 1.98 2zi6A1 GLN 1097 HG2 0.20 0.41 0.13 -0.04 2.40 3.11 2zi6A1 GLN 1097 HG3 0.01 -0.06 -0.06 -0.04 2.39 2.23 2zi6A1 GLN 1097 HE21 0.21 -0.05 -0.09 -0.04 6.97 7.00 2zi6A1 GLN 1097 HE22 0.16 0.04 -0.09 -0.04 7.69 7.76 2zi6A1 THR 1098 H -0.11 0.42 -0.31 -0.55 8.28 7.73 2zi6A1 THR 1098 HA -0.20 0.01 0.45 -0.75 4.39 3.90 2zi6A1 THR 1098 HB -0.35 0.13 0.11 -0.04 4.32 4.18 2zi6A1 THR 1098 HG23 -0.81 -0.01 -0.09 -0.04 1.22 0.26 2zi6A1 TYR 1099 H 0.08 0.49 -0.08 -0.55 8.29 8.23 2zi6A1 TYR 1099 HA 0.00 0.06 0.53 -0.75 4.56 4.39 2zi6A1 TYR 1099 HB2 -0.07 0.05 0.16 -0.04 3.06 3.16 2zi6A1 TYR 1099 HB3 -0.08 0.02 0.15 -0.04 2.98 3.03 2zi6A1 TYR 1099 HD2 -0.30 -0.02 0.03 -0.04 7.15 6.83 2zi6A1 TYR 1099 HE2 -0.33 0.04 0.03 -0.04 6.85 6.55 2zi6A1 ALA 1100 H -0.06 0.82 -0.11 -0.55 8.40 8.50 2zi6A1 ALA 1100 HA -0.29 -0.00 0.34 -0.75 4.34 3.64 2zi6A1 ALA 1100 HB3 -0.41 -0.00 0.03 -0.04 1.41 0.99 2zi6A1 CYS 1101 H 0.11 0.62 0.04 -0.55 8.50 8.72 2zi6A1 CYS 1101 HA -0.01 -0.04 0.45 -0.75 4.58 4.23 2zi6A1 CYS 1101 HB2 0.31 0.04 0.16 -0.04 2.97 3.44 2zi6A1 CYS 1101 HB3 0.48 0.08 0.13 -0.04 2.97 3.62 2zi6A1 LEU 1102 H 0.24 0.60 -0.14 -0.55 8.37 8.53 2zi6A1 LEU 1102 HA 0.01 0.04 0.46 -0.75 4.35 4.10 2zi6A1 LEU 1102 HB2 0.41 -0.01 0.13 -0.04 1.64 2.13 2zi6A1 LEU 1102 HB3 0.16 0.12 0.12 -0.04 1.64 2.00 2zi6A1 LEU 1102 HG 0.02 -0.05 -0.14 -0.04 1.64 1.43 2zi6A1 LEU 1102 HD13 -0.01 -0.01 0.07 -0.04 0.93 0.94 2zi6A1 LEU 1102 HD23 0.13 0.00 -0.02 -0.04 0.89 0.96 2zi6A1 SER 1103 H -0.11 0.52 -0.31 -0.55 8.46 8.02 2zi6A1 SER 1103 HA -0.10 0.01 0.53 -0.75 4.49 4.18 2zi6A1 SER 1103 HB2 -0.25 0.16 0.25 -0.04 3.95 4.06 2zi6A1 SER 1103 HB3 -0.13 -0.11 0.10 -0.04 3.93 3.74 2zi6A1 ARG 1104 H -0.14 0.34 -0.25 -0.55 8.46 7.86 2zi6A1 ARG 1104 HA -0.16 0.08 0.67 -0.75 4.34 4.19 2zi6A1 ARG 1104 HB2 -0.16 -0.07 0.08 -0.04 1.90 1.71 2zi6A1 ARG 1104 HB3 -0.13 0.09 0.17 -0.04 1.80 1.88 2zi6A1 ARG 1104 HG2 -0.21 0.04 -0.36 -0.04 1.67 1.10 2zi6A1 ARG 1104 HG3 -0.15 0.06 -0.02 -0.04 1.67 1.52 2zi6A1 ARG 1104 HD2 -0.12 -0.02 -0.19 -0.04 3.22 2.85 2zi6A1 ARG 1104 HD3 -0.10 -0.10 -0.19 -0.04 3.22 2.78 2zi6A1 ILE 1105 H -0.15 0.42 -0.09 -0.55 8.25 7.88 2zi6A1 ILE 1105 HA -0.22 0.04 0.52 -0.75 4.18 3.76 2zi6A1 ILE 1105 HB -0.21 0.06 0.22 -0.04 1.89 1.92 2zi6A1 ILE 1105 HG12 -0.30 0.03 0.02 -0.04 1.49 1.19 2zi6A1 ILE 1105 HG13 -0.26 -0.08 0.01 -0.04 1.21 0.83 2zi6A1 ILE 1105 HG23 -0.34 0.01 -0.13 -0.04 0.93 0.43 2zi6A1 ILE 1105 HD13 -0.41 -0.01 -0.10 -0.04 0.88 0.32 2zi6A1 ARG 1106 H -0.11 0.59 -0.05 -0.55 8.46 8.34 2zi6A1 ARG 1106 HA -0.07 0.04 0.50 -0.75 4.34 4.06 2zi6A1 ARG 1106 HB2 -0.04 0.02 0.19 -0.04 1.90 2.02 2zi6A1 ARG 1106 HB3 -0.02 -0.02 0.04 -0.04 1.80 1.76 2zi6A1 ARG 1106 HG2 -0.05 -0.02 0.04 -0.04 1.67 1.60 2zi6A1 ARG 1106 HG3 -0.06 0.17 0.13 -0.04 1.67 1.86 2zi6A1 ARG 1106 HD2 0.02 -0.04 -0.00 -0.04 3.22 3.16 2zi6A1 ARG 1106 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 2zi6A1 ALA 1107 H -0.08 0.46 -0.09 -0.55 8.40 8.15 2zi6A1 ALA 1107 HA -0.03 -0.02 0.32 -0.75 4.34 3.86 2zi6A1 ALA 1107 HB3 -0.07 0.01 0.15 -0.04 1.41 1.46 2zi6A1 GLN 1108 H -0.16 0.58 -0.20 -0.55 8.47 8.14 2zi6A1 GLN 1108 HA -0.09 -0.00 0.41 -0.75 4.36 3.92 2zi6A1 GLN 1108 HB2 -0.33 0.04 0.18 -0.04 2.15 2.00 2zi6A1 GLN 1108 HB3 -0.65 0.01 -0.01 -0.04 2.02 1.33 2zi6A1 GLN 1108 HG2 -0.57 -0.05 0.03 -0.04 2.40 1.77 2zi6A1 GLN 1108 HG3 -0.31 0.18 0.13 -0.04 2.39 2.36 2zi6A1 GLN 1108 HE21 -0.24 -0.11 -0.02 -0.04 6.97 6.56 2zi6A1 GLN 1108 HE22 -0.23 0.03 -0.04 -0.04 7.69 7.41 2zi6A1 LEU 1109 H -0.09 0.61 -0.01 -0.55 8.37 8.34 2zi6A1 LEU 1109 HA 0.01 0.04 0.38 -0.75 4.35 4.03 2zi6A1 LEU 1109 HB2 -0.01 0.06 0.11 -0.04 1.64 1.76 2zi6A1 LEU 1109 HB3 0.03 -0.06 0.03 -0.04 1.64 1.60 2zi6A1 LEU 1109 HG -0.06 0.21 0.18 -0.04 1.64 1.92 2zi6A1 LEU 1109 HD13 -0.08 -0.06 -0.07 -0.04 0.93 0.68 2zi6A1 LEU 1109 HD23 0.14 -0.02 0.00 -0.04 0.89 0.97 2zi6A1 ALA 1110 H -0.01 0.55 -0.28 -0.55 8.40 8.11 2zi6A1 ALA 1110 HA 0.02 -0.01 0.35 -0.75 4.34 3.94 2zi6A1 ALA 1110 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 2zi6A1 SER 1111 H 0.03 0.42 -0.17 -0.55 8.46 8.19 2zi6A1 SER 1111 HA 0.05 0.00 0.62 -0.75 4.49 4.40 2zi6A1 SER 1111 HB2 0.07 0.00 0.11 -0.04 3.95 4.08 2zi6A1 SER 1111 HB3 0.14 0.04 -0.01 -0.04 3.93 4.05 2zi6A1 LEU 1112 H 0.05 0.42 -0.66 -0.55 8.37 7.63 2zi6A1 LEU 1112 HA 0.08 0.05 0.51 -0.75 4.35 4.25 2zi6A1 LEU 1112 HB2 0.06 0.02 0.11 -0.04 1.64 1.80 2zi6A1 LEU 1112 HB3 0.04 0.02 0.10 -0.04 1.64 1.76 2zi6A1 LEU 1112 HG 0.05 -0.02 0.03 -0.04 1.64 1.66 2zi6A1 LEU 1112 HD13 0.05 -0.02 0.12 -0.04 0.93 1.04 2zi6A1 LEU 1112 HD23 0.15 0.02 -0.17 -0.04 0.89 0.85 2zi6A1 ASN 1113 H 0.04 0.27 -0.58 -0.55 8.53 7.71 2zi6A1 ASN 1113 HA 0.02 0.25 0.70 -0.75 4.76 4.98 2zi6A1 ASN 1113 HB2 0.02 0.04 0.01 -0.04 2.88 2.92 2zi6A1 ASN 1113 HB3 0.02 -0.05 0.06 -0.04 2.79 2.78 2zi6A1 ASN 1113 HD21 0.01 -0.05 -0.07 -0.04 7.03 6.88 2zi6A1 ASN 1113 HD22 0.02 0.03 -0.16 -0.04 7.74 7.58 2zi6A1 ALA 1119 HA -0.00 -0.11 0.11 -0.75 4.34 3.59 2zi6A1 ALA 1119 HB3 0.02 -0.00 -0.10 -0.04 1.41 1.29 2zi6A1 GLU 1120 H -0.00 -0.04 0.04 -0.55 8.60 8.05 2zi6A1 GLU 1120 HA -0.00 0.13 0.53 -0.75 4.29 4.20 2zi6A1 LYS 1121 H 0.01 -0.05 -0.04 -0.55 8.42 7.79 2zi6A1 LYS 1121 HA 0.02 0.28 0.82 -0.75 4.32 4.69 2zi6A1 LYS 1121 HB2 0.05 -0.08 0.17 -0.04 1.87 1.96 2zi6A1 LYS 1121 HB3 0.04 0.09 0.08 -0.04 1.79 1.96 2zi6A1 LYS 1121 HG2 0.01 0.17 -0.52 -0.04 1.46 1.07 2zi6A1 LYS 1121 HG3 0.01 -0.11 -0.12 -0.04 1.46 1.20 2zi6A1 LYS 1121 HD2 0.01 0.08 -0.02 -0.04 1.69 1.72 2zi6A1 LYS 1121 HD3 0.01 -0.06 -0.04 -0.04 1.68 1.55 2zi6A1 LYS 1121 HE2 0.05 -0.03 -0.00 -0.04 2.99 2.97 2zi6A1 LYS 1121 HE3 0.03 0.08 -0.02 -0.04 2.99 3.03 2zi6A1 PRO 1122 HA 0.07 0.10 0.40 -0.51 4.44 4.50 2zi6A1 PRO 1122 HB2 -0.01 -0.07 0.11 -0.04 2.28 2.27 2zi6A1 PRO 1122 HB3 0.02 0.03 -0.03 -0.04 2.02 2.00 2zi6A1 PRO 1122 HG2 0.00 0.03 -0.22 -0.04 2.03 1.80 2zi6A1 PRO 1122 HG3 0.01 0.10 -0.25 -0.04 2.03 1.85 2zi6A1 PRO 1122 HD2 0.00 0.24 0.06 -0.04 3.68 3.95 2zi6A1 PRO 1122 HD3 0.01 0.18 -0.89 -0.04 3.65 2.91 2zi6A1 VAL 1123 H 0.10 0.64 0.36 -0.55 8.24 8.79 2zi6A1 VAL 1123 HA -0.20 0.12 0.72 -0.75 4.13 4.02 2zi6A1 VAL 1123 HB -0.22 -0.04 0.10 -0.04 2.12 1.91 2zi6A1 VAL 1123 HG13 -0.91 -0.04 -0.22 -0.04 0.97 -0.23 2zi6A1 VAL 1123 HG23 -0.01 0.03 -0.18 -0.04 0.95 0.75 2zi6A1 LEU 1124 H -0.32 1.23 0.25 -0.55 8.37 8.99 2zi6A1 LEU 1124 HA -0.11 0.02 0.69 -0.75 4.35 4.18 2zi6A1 LEU 1124 HB2 -0.12 -0.01 -0.10 -0.04 1.64 1.37 2zi6A1 LEU 1124 HB3 -0.35 0.00 0.06 -0.04 1.64 1.31 2zi6A1 LEU 1124 HG -0.05 -0.09 -0.21 -0.04 1.64 1.25 2zi6A1 LEU 1124 HD13 0.06 -0.02 -0.15 -0.04 0.93 0.78 2zi6A1 LEU 1124 HD23 0.10 0.02 -0.18 -0.04 0.89 0.79 2zi6A1 PHE 1125 H 0.04 0.50 0.20 -0.55 8.34 8.53 2zi6A1 PHE 1125 HA -0.28 0.37 1.05 -0.75 4.62 5.01 2zi6A1 PHE 1125 HB2 -0.14 0.07 0.19 -0.04 3.15 3.24 2zi6A1 PHE 1125 HB3 -0.14 -0.10 -0.00 -0.04 3.06 2.78 2zi6A1 PHE 1125 HD2 -0.22 0.09 -0.09 -0.04 7.28 7.03 2zi6A1 PHE 1125 HE2 -0.75 -0.01 -0.13 -0.04 7.38 6.45 2zi6A1 PHE 1125 HZ -1.09 -0.00 -0.13 -0.04 7.32 6.05 2zi6A1 PHE 1126 H -0.04 0.56 0.54 -0.55 8.34 8.84 2zi6A1 PHE 1126 HA 0.06 0.17 1.28 -0.75 4.62 5.38 2zi6A1 PHE 1126 HB2 0.07 -0.06 0.06 -0.04 3.15 3.18 2zi6A1 PHE 1126 HB3 0.04 0.03 0.09 -0.04 3.06 3.18 2zi6A1 PHE 1126 HD2 0.05 -0.06 -0.11 -0.04 7.28 7.12 2zi6A1 PHE 1126 HE2 0.02 0.08 -0.14 -0.04 7.38 7.30 2zi6A1 PHE 1126 HZ 0.00 0.20 -0.08 -0.04 7.32 7.40 2zi6A1 GLU 1127 H 0.18 0.64 0.19 -0.55 8.60 9.07 2zi6A1 GLU 1127 HA 0.13 0.06 0.87 -0.75 4.29 4.60 2zi6A1 GLU 1127 HB2 0.08 0.13 0.10 -0.04 2.09 2.35 2zi6A1 GLU 1127 HB3 0.06 -0.13 0.29 -0.04 1.99 2.16 2zi6A1 GLU 1127 HG2 0.09 0.01 -0.04 -0.04 2.34 2.36 2zi6A1 GLU 1127 HG3 0.07 0.05 -0.07 -0.04 2.34 2.36 2zi6A1 ARG 1128 H 0.17 0.37 0.21 -0.55 8.46 8.66 2zi6A1 ARG 1128 HA 0.24 0.02 0.32 -0.75 4.34 4.15 2zi6A1 ARG 1128 HB2 0.14 0.33 0.36 -0.04 1.90 2.69 2zi6A1 ARG 1128 HB3 0.23 -0.21 0.26 -0.04 1.80 2.05 2zi6A1 ARG 1128 HG2 0.23 0.05 0.10 -0.04 1.67 2.01 2zi6A1 ARG 1128 HG3 0.19 -0.01 -0.13 -0.04 1.67 1.69 2zi6A1 ARG 1128 HD2 0.44 -0.01 -0.01 -0.04 3.22 3.59 2zi6A1 ARG 1128 HD3 0.35 -0.07 0.05 -0.04 3.22 3.51 2zi6A1 SER 1129 H 0.22 0.12 0.22 -0.55 8.46 8.48 2zi6A1 SER 1129 HA 0.03 0.28 0.38 -0.75 4.49 4.43 2zi6A1 SER 1129 HB2 0.16 -0.07 0.15 -0.04 3.95 4.15 2zi6A1 SER 1129 HB3 0.28 0.32 -0.00 -0.04 3.93 4.49 2zi6A1 VAL 1130 H -0.20 0.36 0.13 -0.55 8.24 7.98 2zi6A1 VAL 1130 HA -0.02 0.05 0.34 -0.75 4.13 3.74 2zi6A1 VAL 1130 HB -0.30 0.01 0.10 -0.04 2.12 1.88 2zi6A1 VAL 1130 HG13 -0.29 0.05 0.01 -0.04 0.97 0.70 2zi6A1 VAL 1130 HG23 -0.70 0.03 -0.12 -0.04 0.95 0.12 2zi6A1 TYR 1131 H -0.22 0.11 -0.29 -0.55 8.29 7.34 2zi6A1 TYR 1131 HA 0.00 0.15 0.64 -0.75 4.56 4.60 2zi6A1 TYR 1131 HB2 0.13 0.03 -0.07 -0.04 3.06 3.10 2zi6A1 TYR 1131 HB3 -0.18 0.07 -0.02 -0.04 2.98 2.81 2zi6A1 TYR 1131 HD2 0.01 -0.03 -0.06 -0.04 7.15 7.03 2zi6A1 TYR 1131 HE2 -0.75 0.08 -0.03 -0.04 6.85 6.11 2zi6A1 SER 1132 H 0.27 0.07 -0.26 -0.55 8.46 7.99 2zi6A1 SER 1132 HA 0.08 0.08 0.37 -0.75 4.49 4.25 2zi6A1 SER 1132 HB2 0.24 0.23 0.25 -0.04 3.95 4.63 2zi6A1 SER 1132 HB3 0.28 0.02 0.06 -0.04 3.93 4.25 2zi6A1 ASP 1133 H 0.16 0.45 -0.12 -0.55 8.40 8.34 2zi6A1 ASP 1133 HA 0.37 -0.01 0.32 -0.75 4.63 4.55 2zi6A1 ASP 1133 HB2 0.22 0.11 0.11 -0.04 2.71 3.10 2zi6A1 ASP 1133 HB3 0.32 0.01 0.00 -0.04 2.70 3.00 2zi6A1 ARG 1134 H 0.00 0.33 -0.39 -0.55 8.46 7.85 2zi6A1 ARG 1134 HA 0.20 0.03 0.66 -0.75 4.34 4.48 2zi6A1 ARG 1134 HB2 -0.64 0.01 0.04 -0.04 1.90 1.27 2zi6A1 ARG 1134 HB3 -0.69 0.07 0.17 -0.04 1.80 1.30 2zi6A1 ARG 1134 HG2 -1.58 0.03 -0.20 -0.04 1.67 -0.12 2zi6A1 ARG 1134 HG3 -0.16 -0.06 -0.08 -0.04 1.67 1.33 2zi6A1 ARG 1134 HD2 -0.60 -0.03 -0.05 -0.04 3.22 2.49 2zi6A1 ARG 1134 HD3 -1.03 0.03 -0.05 -0.04 3.22 2.13 2zi6A1 TYR 1135 H -0.22 0.78 0.11 -0.55 8.29 8.42 2zi6A1 TYR 1135 HA -0.01 0.10 0.33 -0.75 4.56 4.23 2zi6A1 TYR 1135 HB2 -0.73 0.03 -0.02 -0.04 3.06 2.30 2zi6A1 TYR 1135 HB3 -0.38 0.02 0.07 -0.04 2.98 2.65 2zi6A1 TYR 1135 HD2 -0.17 0.01 -0.00 -0.04 7.15 6.94 2zi6A1 TYR 1135 HE2 0.16 0.02 -0.03 -0.04 6.85 6.95 2zi6A1 ILE 1136 H -0.10 0.22 -0.54 -0.55 8.25 7.28 2zi6A1 ILE 1136 HA -0.21 0.24 0.93 -0.75 4.18 4.38 2zi6A1 ILE 1136 HB -0.39 0.33 0.20 -0.04 1.89 1.98 2zi6A1 ILE 1136 HG12 -0.17 -0.04 -0.13 -0.04 1.49 1.10 2zi6A1 ILE 1136 HG13 -0.54 -0.06 -0.09 -0.04 1.21 0.48 2zi6A1 ILE 1136 HG23 -1.01 -0.02 -0.15 -0.04 0.93 -0.29 2zi6A1 ILE 1136 HD13 -0.18 0.06 -0.33 -0.04 0.88 0.39 2zi6A1 PHE 1137 H -0.12 0.35 0.06 -0.55 8.34 8.08 2zi6A1 PHE 1137 HA 0.07 0.06 0.48 -0.75 4.62 4.48 2zi6A1 PHE 1137 HB2 0.09 0.14 0.21 -0.04 3.15 3.55 2zi6A1 PHE 1137 HB3 0.11 0.00 -0.00 -0.04 3.06 3.13 2zi6A1 PHE 1137 HD2 0.13 0.01 -0.10 -0.04 7.28 7.28 2zi6A1 PHE 1137 HE2 0.13 -0.02 -0.07 -0.04 7.38 7.38 2zi6A1 PHE 1137 HZ 0.15 0.00 -0.06 -0.04 7.32 7.37 2zi6A1 ALA 1138 H 0.14 0.63 0.20 -0.55 8.40 8.83 2zi6A1 ALA 1138 HA -0.04 -0.02 0.34 -0.75 4.34 3.87 2zi6A1 ALA 1138 HB3 -0.11 0.03 0.13 -0.04 1.41 1.41 2zi6A1 SER 1139 H -0.02 0.29 -0.45 -0.55 8.46 7.73 2zi6A1 SER 1139 HA -0.76 0.01 0.24 -0.75 4.49 3.22 2zi6A1 SER 1139 HB2 0.06 0.15 -0.03 -0.04 3.95 4.10 2zi6A1 SER 1139 HB3 -0.03 0.07 -0.23 -0.04 3.93 3.70 2zi6A1 ASN 1140 H -0.05 0.44 -0.27 -0.55 8.53 8.11 2zi6A1 ASN 1140 HA -0.02 0.03 0.40 -0.75 4.76 4.42 2zi6A1 ASN 1140 HB2 0.03 0.10 0.13 -0.04 2.88 3.09 2zi6A1 ASN 1140 HB3 0.11 0.04 0.20 -0.04 2.79 3.11 2zi6A1 ASN 1140 HD21 0.13 -0.03 -0.04 -0.04 7.03 7.05 2zi6A1 ASN 1140 HD22 0.06 0.04 -0.00 -0.04 7.74 7.80 2zi6A1 LEU 1141 H 0.01 0.65 -0.10 -0.55 8.37 8.39 2zi6A1 LEU 1141 HA -0.01 -0.02 0.28 -0.75 4.35 3.85 2zi6A1 LEU 1141 HB2 0.01 0.15 0.04 -0.04 1.64 1.80 2zi6A1 LEU 1141 HB3 0.02 -0.07 -0.11 -0.04 1.64 1.43 2zi6A1 LEU 1141 HG 0.12 0.01 0.02 -0.04 1.64 1.74 2zi6A1 LEU 1141 HD13 0.08 -0.02 -0.09 -0.04 0.93 0.85 2zi6A1 LEU 1141 HD23 -0.02 -0.00 -0.00 -0.04 0.89 0.82 2zi6A1 TYR 1142 H -0.27 0.64 -0.34 -0.55 8.29 7.76 2zi6A1 TYR 1142 HA -0.23 -0.05 0.68 -0.75 4.56 4.21 2zi6A1 TYR 1142 HB2 -0.96 -0.10 0.03 -0.04 3.06 2.00 2zi6A1 TYR 1142 HB3 -1.25 0.20 0.13 -0.04 2.98 2.03 2zi6A1 TYR 1142 HD2 -0.34 0.04 -0.16 -0.04 7.15 6.65 2zi6A1 TYR 1142 HE2 0.06 -0.08 -0.18 -0.04 6.85 6.61 2zi6A1 GLU 1143 H -0.20 0.53 -0.08 -0.55 8.60 8.30 2zi6A1 GLU 1143 HA -0.32 -0.02 0.38 -0.75 4.29 3.58 2zi6A1 GLU 1143 HB2 -0.09 0.14 0.33 -0.04 2.09 2.43 2zi6A1 GLU 1143 HB3 -0.06 -0.08 0.02 -0.04 1.99 1.82 2zi6A1 GLU 1143 HG2 -0.04 -0.05 0.06 -0.04 2.34 2.27 2zi6A1 GLU 1143 HG3 -0.05 -0.03 0.03 -0.04 2.34 2.25 2zi6A1 SER 1144 H -0.11 0.28 -0.25 -0.55 8.46 7.83 2zi6A1 SER 1144 HA -0.07 0.20 0.82 -0.75 4.49 4.68 2zi6A1 SER 1144 HB2 -0.03 -0.02 0.17 -0.04 3.95 4.04 2zi6A1 SER 1144 HB3 -0.01 -0.01 0.00 -0.04 3.93 3.87 2zi6A1 GLU 1145 H -0.21 0.43 -0.49 -0.55 8.60 7.78 2zi6A1 GLU 1145 HA -0.16 0.17 0.35 -0.75 4.29 3.90 2zi6A1 GLU 1145 HB2 -0.07 0.10 -0.17 -0.04 2.09 1.91 2zi6A1 GLU 1145 HB3 -0.07 -0.06 0.19 -0.04 1.99 2.01 2zi6A1 GLU 1145 HG2 -0.10 -0.04 0.04 -0.04 2.34 2.20 2zi6A1 GLU 1145 HG3 -0.14 0.08 -0.05 -0.04 2.34 2.19 2zi6A1 SER 1146 H -0.06 0.22 -0.48 -0.55 8.46 7.59 2zi6A1 SER 1146 HA -0.02 0.12 0.91 -0.75 4.49 4.75 2zi6A1 SER 1146 HB2 -0.01 -0.03 0.01 -0.04 3.95 3.88 2zi6A1 SER 1146 HB3 -0.01 -0.12 -0.24 -0.04 3.93 3.52 2zi6A1 MET 1147 H -0.01 0.31 -0.01 -0.55 8.47 8.20 2zi6A1 MET 1147 HA 0.08 0.17 0.47 -0.75 4.52 4.48 2zi6A1 MET 1147 HB2 0.16 0.02 -0.10 -0.04 2.15 2.20 2zi6A1 MET 1147 HB3 0.26 -0.10 0.02 -0.04 2.03 2.16 2zi6A1 MET 1147 HG2 0.17 0.01 0.04 -0.04 2.63 2.81 2zi6A1 MET 1147 HG3 0.10 -0.00 -0.48 -0.04 2.56 2.13 2zi6A1 MET 1147 HE3 0.22 0.00 -0.15 -0.04 2.10 2.14 2zi6A1 ASN 1148 H 0.10 0.04 0.09 -0.55 8.53 8.22 2zi6A1 ASN 1148 HA 0.14 0.42 1.11 -0.75 4.76 5.68 2zi6A1 ASN 1148 HB2 0.08 -0.14 0.25 -0.04 2.88 3.03 2zi6A1 ASN 1148 HB3 0.04 0.17 0.07 -0.04 2.79 3.03 2zi6A1 ASN 1148 HD21 -0.03 0.03 0.04 -0.04 7.03 7.03 2zi6A1 ASN 1148 HD22 -0.00 0.11 0.04 -0.04 7.74 7.85 2zi6A1 GLU 1149 H 0.18 0.21 0.17 -0.55 8.60 8.62 2zi6A1 GLU 1149 HA 0.35 0.14 0.33 -0.75 4.29 4.36 2zi6A1 GLU 1149 HB2 0.13 -0.03 0.13 -0.04 2.09 2.28 2zi6A1 GLU 1149 HB3 0.16 0.06 0.04 -0.04 1.99 2.21 2zi6A1 GLU 1149 HG2 0.33 0.07 0.04 -0.04 2.34 2.73 2zi6A1 GLU 1149 HG3 0.26 -0.03 0.11 -0.04 2.34 2.64 2zi6A1 THR 1150 H 0.08 0.10 -0.05 -0.55 8.28 7.86 2zi6A1 THR 1150 HA 0.03 0.12 0.41 -0.75 4.39 4.20 2zi6A1 THR 1150 HB -0.02 -0.11 0.08 -0.04 4.32 4.23 2zi6A1 THR 1150 HG23 -0.04 0.03 -0.05 -0.04 1.22 1.12 2zi6A1 GLU 1151 H 0.03 0.03 -0.17 -0.55 8.60 7.95 2zi6A1 GLU 1151 HA -0.17 0.08 0.38 -0.75 4.29 3.82 2zi6A1 GLU 1151 HB2 0.17 -0.00 0.15 -0.04 2.09 2.36 2zi6A1 GLU 1151 HB3 0.28 0.04 -0.01 -0.04 1.99 2.26 2zi6A1 GLU 1151 HG2 -0.30 0.05 0.05 -0.04 2.34 2.09 2zi6A1 GLU 1151 HG3 -0.10 -0.03 0.07 -0.04 2.34 2.24 2zi6A1 TRP 1152 H 0.38 0.82 -0.13 -0.55 7.97 8.49 2zi6A1 TRP 1152 HA 0.10 -0.03 0.29 -0.75 4.62 4.23 2zi6A1 TRP 1152 HB2 -0.06 0.04 -0.00 -0.04 3.23 3.17 2zi6A1 TRP 1152 HB3 -0.29 0.05 0.10 -0.04 3.23 3.05 2zi6A1 TRP 1152 HD1 -1.10 -0.00 -0.08 -0.04 7.22 5.99 2zi6A1 TRP 1152 HE1 -0.28 0.02 -0.07 -0.04 10.20 9.83 2zi6A1 TRP 1152 HE3 -0.01 -0.05 -0.03 -0.04 7.59 7.47 2zi6A1 TRP 1152 HZ2 -0.02 0.04 -0.07 -0.04 7.44 7.34 2zi6A1 TRP 1152 HZ3 -0.24 -0.08 -0.12 -0.04 7.13 6.65 2zi6A1 TRP 1152 HH2 -0.09 0.10 -0.12 -0.04 7.19 7.04 2zi6A1 THR 1153 H 0.08 0.99 0.00 -0.55 8.28 8.81 2zi6A1 THR 1153 HA -0.29 0.01 0.52 -0.75 4.39 3.87 2zi6A1 THR 1153 HB -0.00 0.03 0.17 -0.04 4.32 4.48 2zi6A1 THR 1153 HG23 -0.05 -0.02 -0.07 -0.04 1.22 1.04 2zi6A1 ILE 1154 H 0.08 0.84 -0.05 -0.55 8.25 8.58 2zi6A1 ILE 1154 HA 0.08 -0.00 0.42 -0.75 4.18 3.93 2zi6A1 ILE 1154 HB 0.11 0.14 0.18 -0.04 1.89 2.28 2zi6A1 ILE 1154 HG12 0.02 -0.03 0.02 -0.04 1.49 1.45 2zi6A1 ILE 1154 HG13 0.00 0.10 0.05 -0.04 1.21 1.32 2zi6A1 ILE 1154 HG23 0.23 -0.02 -0.09 -0.04 0.93 1.00 2zi6A1 ILE 1154 HD13 -0.08 -0.03 -0.07 -0.04 0.88 0.66 2zi6A1 TYR 1155 H 0.39 0.55 -0.15 -0.55 8.29 8.54 2zi6A1 TYR 1155 HA 0.32 0.03 0.53 -0.75 4.56 4.69 2zi6A1 TYR 1155 HB2 0.31 -0.02 0.05 -0.04 3.06 3.36 2zi6A1 TYR 1155 HB3 0.22 0.10 0.14 -0.04 2.98 3.40 2zi6A1 TYR 1155 HD2 -0.05 0.04 -0.12 -0.04 7.15 6.98 2zi6A1 TYR 1155 HE2 0.17 -0.01 -0.16 -0.04 6.85 6.81 2zi6A1 GLN 1156 H -0.16 0.66 -0.02 -0.55 8.47 8.41 2zi6A1 GLN 1156 HA -0.28 -0.04 0.28 -0.75 4.36 3.57 2zi6A1 GLN 1156 HB2 -0.44 0.10 0.12 -0.04 2.15 1.89 2zi6A1 GLN 1156 HB3 -0.34 -0.05 0.07 -0.04 2.02 1.66 2zi6A1 GLN 1156 HG2 -0.82 -0.07 0.00 -0.04 2.40 1.47 2zi6A1 GLN 1156 HG3 -1.58 0.06 0.08 -0.04 2.39 0.90 2zi6A1 GLN 1156 HE21 -0.29 0.00 -0.04 -0.04 6.97 6.60 2zi6A1 GLN 1156 HE22 -0.31 -0.03 -0.03 -0.04 7.69 7.28 2zi6A1 ASP 1157 H -0.01 0.52 -0.35 -0.55 8.40 8.01 2zi6A1 ASP 1157 HA -0.01 0.07 0.54 -0.75 4.63 4.47 2zi6A1 ASP 1157 HB2 -0.01 0.01 0.07 -0.04 2.71 2.74 2zi6A1 ASP 1157 HB3 0.05 0.05 0.10 -0.04 2.70 2.87 2zi6A1 TRP 1158 H 0.25 0.51 -0.07 -0.55 7.97 8.12 2zi6A1 TRP 1158 HA 0.09 0.03 0.47 -0.75 4.62 4.46 2zi6A1 TRP 1158 HB2 0.02 0.00 0.15 -0.04 3.23 3.37 2zi6A1 TRP 1158 HB3 -0.05 0.15 0.22 -0.04 3.23 3.51 2zi6A1 TRP 1158 HD1 0.12 0.01 0.06 -0.04 7.22 7.38 2zi6A1 TRP 1158 HE1 0.07 0.03 0.03 -0.04 10.20 10.29 2zi6A1 TRP 1158 HE3 -0.38 0.11 -0.07 -0.04 7.59 7.21 2zi6A1 TRP 1158 HZ2 -0.06 0.03 0.03 -0.04 7.44 7.40 2zi6A1 TRP 1158 HZ3 -0.06 -0.02 -0.10 -0.04 7.13 6.91 2zi6A1 TRP 1158 HH2 -0.05 -0.06 0.07 -0.04 7.19 7.11 2zi6A1 HIS 1159 H -0.06 0.48 -0.34 -0.55 8.41 7.94 2zi6A1 HIS 1159 HA -0.91 0.04 0.58 -0.75 4.63 3.58 2zi6A1 HIS 1159 HB2 -0.77 0.04 0.00 -0.04 3.26 2.49 2zi6A1 HIS 1159 HB3 -0.35 0.08 0.06 -0.04 3.20 2.95 2zi6A1 HIS 1159 HD2 -0.22 -0.04 -0.05 -0.04 6.97 6.61 2zi6A1 HIS 1159 HE1 -0.31 -0.06 -0.19 -0.04 7.75 7.15 2zi6A1 ASP 1160 H -0.01 0.49 -0.09 -0.55 8.40 8.24 2zi6A1 ASP 1160 HA 0.05 0.02 0.43 -0.75 4.63 4.38 2zi6A1 ASP 1160 HB2 -0.01 0.24 0.32 -0.04 2.71 3.22 2zi6A1 ASP 1160 HB3 0.04 -0.01 -0.03 -0.04 2.70 2.66 2zi6A1 TRP 1161 H 0.07 0.12 -0.69 -0.55 7.97 6.93 2zi6A1 TRP 1161 HA -0.05 0.15 0.78 -0.75 4.62 4.74 2zi6A1 TRP 1161 HB2 -0.03 0.07 -0.02 -0.04 3.23 3.20 2zi6A1 TRP 1161 HB3 -0.06 0.03 0.05 -0.04 3.23 3.22 2zi6A1 TRP 1161 HD1 -0.00 0.02 -0.01 -0.04 7.22 7.18 2zi6A1 TRP 1161 HE1 0.02 0.00 -0.01 -0.04 10.20 10.16 2zi6A1 TRP 1161 HE3 0.01 0.06 -0.21 -0.04 7.59 7.40 2zi6A1 TRP 1161 HZ2 0.04 0.00 -0.02 -0.04 7.44 7.43 2zi6A1 TRP 1161 HZ3 0.12 -0.00 -0.03 -0.04 7.13 7.17 2zi6A1 TRP 1161 HH2 0.08 0.00 -0.02 -0.04 7.19 7.21 2zi6A1 MET 1162 H -0.29 0.51 0.02 -0.55 8.47 8.17 2zi6A1 MET 1162 HA -0.30 0.05 0.53 -0.75 4.52 4.04 2zi6A1 MET 1162 HB2 -1.38 0.59 0.38 -0.04 2.15 1.70 2zi6A1 MET 1162 HB3 -0.93 -0.05 0.06 -0.04 2.03 1.07 2zi6A1 MET 1162 HG2 -0.81 -0.04 0.05 -0.04 2.63 1.79 2zi6A1 MET 1162 HG3 -0.40 -0.03 0.06 -0.04 2.56 2.15 2zi6A1 MET 1162 HE3 0.55 -0.01 0.03 -0.04 2.10 2.62 2zi6A1 ASN 1163 H -0.27 0.31 -0.49 -0.55 8.53 7.53 2zi6A1 ASN 1163 HA -0.07 0.16 0.72 -0.75 4.76 4.81 2zi6A1 ASN 1163 HB2 -0.25 0.29 0.03 -0.04 2.88 2.91 2zi6A1 ASN 1163 HB3 0.03 -0.03 0.03 -0.04 2.79 2.78 2zi6A1 ASN 1163 HD21 -0.26 -0.01 -0.05 -0.04 7.03 6.67 2zi6A1 ASN 1163 HD22 -0.13 -0.03 -0.10 -0.04 7.74 7.43 2zi6A1 ASN 1164 H -0.23 0.37 -0.36 -0.55 8.53 7.77 2zi6A1 ASN 1164 HA -0.02 0.20 0.96 -0.75 4.76 5.14 2zi6A1 ASN 1164 HB2 -0.14 0.04 0.25 -0.04 2.88 2.99 2zi6A1 ASN 1164 HB3 -0.12 -0.04 0.13 -0.04 2.79 2.72 2zi6A1 ASN 1164 HD21 -0.02 -0.04 0.08 -0.04 7.03 7.01 2zi6A1 ASN 1164 HD22 -0.02 -0.05 0.09 -0.04 7.74 7.72 2zi6A1 GLN 1165 H -0.21 0.16 -0.17 -0.55 8.47 7.70 2zi6A1 GLN 1165 HA -0.34 0.20 0.84 -0.75 4.36 4.30 2zi6A1 GLN 1165 HB2 -0.94 0.03 0.02 -0.04 2.15 1.21 2zi6A1 GLN 1165 HB3 -0.45 0.00 0.10 -0.04 2.02 1.63 2zi6A1 GLN 1165 HG2 -0.29 -0.11 -0.01 -0.04 2.40 1.95 2zi6A1 GLN 1165 HG3 -0.32 0.01 0.04 -0.04 2.39 2.08 2zi6A1 GLN 1165 HE21 -1.26 -0.05 -0.01 -0.04 6.97 5.61 2zi6A1 GLN 1165 HE22 -1.28 -0.02 0.00 -0.04 7.69 6.35 2zi6A1 PHE 1166 H -0.05 0.04 -0.52 -0.55 8.34 7.26 2zi6A1 PHE 1166 HA -0.13 0.27 0.92 -0.75 4.62 4.93 2zi6A1 PHE 1166 HB2 -0.23 0.06 0.20 -0.04 3.15 3.14 2zi6A1 PHE 1166 HB3 -0.17 -0.01 0.17 -0.04 3.06 3.01 2zi6A1 PHE 1166 HD2 -0.23 0.03 -0.01 -0.04 7.28 7.04 2zi6A1 PHE 1166 HE2 -0.19 -0.02 -0.00 -0.04 7.38 7.13 2zi6A1 PHE 1166 HZ -0.10 -0.03 -0.01 -0.04 7.32 7.14 2zi6A1 GLY 1167 H -0.08 0.23 -0.21 -0.55 8.43 7.82 2zi6A1 GLY 1167 HA2 -0.02 0.13 0.62 -0.51 4.01 4.23 2zi6A1 GLY 1167 HA3 -0.05 0.09 0.29 -0.51 4.01 3.83 2zi6A1 GLN 1168 H -0.09 0.06 -0.31 -0.55 8.47 7.58 2zi6A1 GLN 1168 HA -0.07 0.08 0.30 -0.75 4.36 3.92 2zi6A1 GLN 1168 HB2 -0.10 0.07 0.14 -0.04 2.15 2.22 2zi6A1 GLN 1168 HB3 -0.18 0.06 0.09 -0.04 2.02 1.95 2zi6A1 GLN 1168 HG2 -0.11 -0.29 0.05 -0.04 2.40 2.02 2zi6A1 GLN 1168 HG3 -0.00 0.04 -0.03 -0.04 2.39 2.36 2zi6A1 GLN 1168 HE21 -0.35 -0.05 0.07 -0.04 6.97 6.59 2zi6A1 GLN 1168 HE22 -0.30 -0.02 0.11 -0.04 7.69 7.44 2zi6A1 SER 1169 H -0.03 0.47 0.65 -0.55 8.46 9.01 2zi6A1 SER 1169 HA 0.02 0.10 0.35 -0.75 4.49 4.21 2zi6A1 LEU 1170 H 0.02 0.01 -0.84 -0.55 8.37 7.01 2zi6A1 LEU 1170 HA 0.15 0.24 0.84 -0.75 4.35 4.83 2zi6A1 LEU 1170 HB2 -0.03 0.21 0.08 -0.04 1.64 1.86 2zi6A1 LEU 1170 HB3 -0.09 -0.17 0.10 -0.04 1.64 1.44 2zi6A1 LEU 1170 HG -0.02 0.07 -0.10 -0.04 1.64 1.55 2zi6A1 LEU 1170 HD13 -0.23 -0.03 0.04 -0.04 0.93 0.67 2zi6A1 LEU 1170 HD23 -0.08 0.00 -0.35 -0.04 0.89 0.42 2zi6A1 GLU 1171 H 0.02 0.29 -0.06 -0.55 8.60 8.30 2zi6A1 GLU 1171 HA 0.22 -0.07 0.55 -0.75 4.29 4.25 2zi6A1 GLU 1171 HB2 -0.14 0.09 0.20 -0.04 2.09 2.19 2zi6A1 GLU 1171 HB3 -0.42 0.06 0.01 -0.04 1.99 1.60 2zi6A1 GLU 1171 HG2 -0.07 -0.05 0.05 -0.04 2.34 2.23 2zi6A1 GLU 1171 HG3 -0.13 -0.08 0.19 -0.04 2.34 2.28 2zi6A1 LEU 1172 H 0.46 -0.05 0.16 -0.55 8.37 8.39 2zi6A1 LEU 1172 HA 0.15 0.15 0.36 -0.75 4.35 4.26 2zi6A1 LEU 1172 HB2 0.17 -0.06 0.00 -0.04 1.64 1.70 2zi6A1 LEU 1172 HB3 0.13 0.16 0.06 -0.04 1.64 1.94 2zi6A1 LEU 1172 HG 0.45 -0.01 0.07 -0.04 1.64 2.11 2zi6A1 LEU 1172 HD13 0.28 -0.05 -0.03 -0.04 0.93 1.09 2zi6A1 LEU 1172 HD23 0.34 0.00 -0.18 -0.04 0.89 1.01 2zi6A1 ASP 1173 H 0.02 1.01 0.51 -0.55 8.40 9.39 2zi6A1 ASP 1173 HA 0.04 0.10 0.87 -0.75 4.63 4.88 2zi6A1 ASP 1173 HB2 -0.08 0.01 0.08 -0.04 2.71 2.69 2zi6A1 ASP 1173 HB3 -0.07 -0.01 0.10 -0.04 2.70 2.68 2zi6A1 GLY 1174 H 0.03 0.33 0.41 -0.55 8.43 8.64 2zi6A1 GLY 1174 HA2 0.14 0.30 0.45 -0.51 4.01 4.39 2zi6A1 GLY 1174 HA3 0.26 0.02 0.35 -0.51 4.01 4.13 2zi6A1 ILE 1175 H 0.11 0.61 0.31 -0.55 8.25 8.73 2zi6A1 ILE 1175 HA 0.00 0.15 0.92 -0.75 4.18 4.50 2zi6A1 ILE 1175 HB -0.19 0.10 0.10 -0.04 1.89 1.87 2zi6A1 ILE 1175 HG12 -0.11 -0.15 -0.07 -0.04 1.49 1.11 2zi6A1 ILE 1175 HG13 -0.01 0.07 -0.17 -0.04 1.21 1.07 2zi6A1 ILE 1175 HG23 -0.27 -0.05 -0.26 -0.04 0.93 0.30 2zi6A1 ILE 1175 HD13 -0.21 0.03 -0.18 -0.04 0.88 0.48 2zi6A1 ILE 1176 H -0.03 0.95 0.50 -0.55 8.25 9.12 2zi6A1 ILE 1176 HA -0.25 0.27 1.23 -0.75 4.18 4.68 2zi6A1 ILE 1176 HB -0.03 -0.04 0.13 -0.04 1.89 1.91 2zi6A1 ILE 1176 HG12 -0.50 0.00 -0.07 -0.04 1.49 0.88 2zi6A1 ILE 1176 HG13 -0.28 -0.00 -0.45 -0.04 1.21 0.44 2zi6A1 ILE 1176 HG23 -0.09 -0.02 -0.21 -0.04 0.93 0.56 2zi6A1 ILE 1176 HD13 0.07 0.01 -0.15 -0.04 0.88 0.77 2zi6A1 TYR 1177 H -0.07 1.02 0.37 -0.55 8.29 9.06 2zi6A1 TYR 1177 HA -0.14 0.07 0.66 -0.75 4.56 4.40 2zi6A1 TYR 1177 HB2 -0.24 0.02 -0.04 -0.04 3.06 2.76 2zi6A1 TYR 1177 HB3 -0.20 0.08 0.19 -0.04 2.98 3.01 2zi6A1 TYR 1177 HD2 -0.16 0.08 -0.23 -0.04 7.15 6.79 2zi6A1 TYR 1177 HE2 -0.23 -0.04 -0.16 -0.04 6.85 6.39 2zi6A1 LEU 1178 H -0.03 0.62 0.28 -0.55 8.37 8.69 2zi6A1 LEU 1178 HA -0.30 0.23 0.75 -0.75 4.35 4.28 2zi6A1 LEU 1178 HB2 -0.08 -0.12 0.16 -0.04 1.64 1.55 2zi6A1 LEU 1178 HB3 -0.17 0.04 -0.06 -0.04 1.64 1.41 2zi6A1 LEU 1178 HG -0.04 0.13 0.01 -0.04 1.64 1.70 2zi6A1 LEU 1178 HD13 -0.01 -0.04 -0.18 -0.04 0.93 0.66 2zi6A1 LEU 1178 HD23 -0.22 0.00 -0.24 -0.04 0.89 0.38 2zi6A1 GLN 1179 H -0.57 0.66 0.26 -0.55 8.47 8.27 2zi6A1 GLN 1179 HA -0.61 0.00 0.71 -0.75 4.36 3.71 2zi6A1 GLN 1179 HB2 -1.78 0.01 -0.07 -0.04 2.15 0.27 2zi6A1 GLN 1179 HB3 -0.55 0.07 0.01 -0.04 2.02 1.51 2zi6A1 GLN 1179 HG2 -0.08 -0.05 -0.37 -0.04 2.40 1.86 2zi6A1 GLN 1179 HG3 -0.04 -0.01 -0.07 -0.04 2.39 2.23 2zi6A1 GLN 1179 HE21 -0.00 0.04 -0.07 -0.04 6.97 6.90 2zi6A1 GLN 1179 HE22 0.09 -0.03 -0.08 -0.04 7.69 7.63 2zi6A1 ALA 1180 H -0.04 0.19 0.19 -0.55 8.40 8.20 2zi6A1 ALA 1180 HA -0.05 0.03 0.76 -0.75 4.34 4.32 2zi6A1 ALA 1180 HB3 -0.02 0.02 -0.05 -0.04 1.41 1.32 2zi6A1 THR 1181 H -0.04 0.09 0.17 -0.55 8.28 7.95 2zi6A1 THR 1181 HA -0.24 0.29 0.78 -0.75 4.39 4.46 2zi6A1 THR 1181 HB -0.11 0.07 0.18 -0.04 4.32 4.41 2zi6A1 THR 1181 HG23 -0.04 0.04 0.03 -0.04 1.22 1.21 2zi6A1 PRO 1182 HA -0.04 0.10 0.36 -0.51 4.44 4.35 2zi6A1 PRO 1182 HB2 -0.04 0.03 -0.00 -0.04 2.28 2.23 2zi6A1 PRO 1182 HB3 -0.02 0.06 -0.19 -0.04 2.02 1.83 2zi6A1 PRO 1182 HG2 -0.11 0.07 0.10 -0.04 2.03 2.05 2zi6A1 PRO 1182 HG3 -0.21 0.09 0.12 -0.04 2.03 1.99 2zi6A1 PRO 1182 HD2 -0.19 0.08 0.23 -0.04 3.68 3.76 2zi6A1 PRO 1182 HD3 -0.66 0.22 0.28 -0.04 3.65 3.45 2zi6A1 GLU 1183 H -0.05 0.14 -0.14 -0.55 8.60 8.01 2zi6A1 GLU 1183 HA 0.01 0.10 0.39 -0.75 4.29 4.04 2zi6A1 GLU 1183 HB2 -0.02 -0.05 0.03 -0.04 2.09 2.01 2zi6A1 GLU 1183 HB3 -0.00 0.08 0.02 -0.04 1.99 2.05 2zi6A1 GLU 1183 HG2 -0.01 0.07 0.03 -0.04 2.34 2.39 2zi6A1 GLU 1183 HG3 -0.01 0.02 0.04 -0.04 2.34 2.36 2zi6A1 THR 1184 H -0.02 -0.00 -0.37 -0.55 8.28 7.34 2zi6A1 THR 1184 HA 0.04 0.06 0.39 -0.75 4.39 4.13 2zi6A1 THR 1184 HB -0.01 0.11 0.21 -0.04 4.32 4.59 2zi6A1 THR 1184 HG23 0.02 0.04 -0.15 -0.04 1.22 1.08 2zi6A1 CYS 1185 H 0.01 0.41 -0.10 -0.55 8.50 8.27 2zi6A1 CYS 1185 HA 0.03 0.11 0.29 -0.75 4.58 4.26 2zi6A1 CYS 1185 HB2 0.03 0.04 0.07 -0.04 2.97 3.07 2zi6A1 CYS 1185 HB3 0.05 0.22 -0.05 -0.04 2.97 3.15 2zi6A1 LEU 1186 H 0.05 0.45 -0.32 -0.55 8.37 8.00 2zi6A1 LEU 1186 HA 0.08 0.06 0.44 -0.75 4.35 4.17 2zi6A1 LEU 1186 HB2 0.06 -0.01 0.12 -0.04 1.64 1.76 2zi6A1 LEU 1186 HB3 0.07 0.06 0.14 -0.04 1.64 1.88 2zi6A1 LEU 1186 HG 0.07 -0.02 -0.02 -0.04 1.64 1.63 2zi6A1 LEU 1186 HD13 0.07 0.02 0.09 -0.04 0.93 1.07 2zi6A1 LEU 1186 HD23 0.04 -0.04 -0.01 -0.04 0.89 0.84 2zi6A1 HIS 1187 H 0.15 0.44 -0.00 -0.55 8.41 8.45 2zi6A1 HIS 1187 HA 0.09 0.06 0.65 -0.75 4.63 4.68 2zi6A1 HIS 1187 HB2 0.03 -0.01 0.15 -0.04 3.26 3.40 2zi6A1 HIS 1187 HB3 0.01 0.10 0.18 -0.04 3.20 3.44 2zi6A1 HIS 1187 HD2 -0.02 0.01 -0.03 -0.04 6.97 6.88 2zi6A1 HIS 1187 HE1 -0.06 0.02 -0.01 -0.04 7.75 7.66 2zi6A1 ARG 1188 H 0.04 0.54 -0.03 -0.55 8.46 8.45 2zi6A1 ARG 1188 HA -0.18 -0.02 0.52 -0.75 4.34 3.90 2zi6A1 ARG 1188 HB2 -0.00 0.28 0.16 -0.04 1.90 2.30 2zi6A1 ARG 1188 HB3 -0.05 -0.12 0.13 -0.04 1.80 1.72 2zi6A1 ARG 1188 HG2 -0.08 -0.08 0.01 -0.04 1.67 1.48 2zi6A1 ARG 1188 HG3 0.00 0.09 0.05 -0.04 1.67 1.77 2zi6A1 ARG 1188 HD2 0.00 0.00 -0.09 -0.04 3.22 3.10 2zi6A1 ARG 1188 HD3 -0.04 -0.09 -0.11 -0.04 3.22 2.93 2zi6A1 ILE 1189 H 0.04 0.41 -0.40 -0.55 8.25 7.76 2zi6A1 ILE 1189 HA 0.04 0.01 0.77 -0.75 4.18 4.24 2zi6A1 ILE 1189 HB 0.07 0.18 0.15 -0.04 1.89 2.26 2zi6A1 ILE 1189 HG12 0.08 -0.12 -0.04 -0.04 1.49 1.37 2zi6A1 ILE 1189 HG13 0.07 0.11 -0.07 -0.04 1.21 1.27 2zi6A1 ILE 1189 HG23 0.06 0.01 -0.11 -0.04 0.93 0.85 2zi6A1 ILE 1189 HD13 0.10 -0.02 -0.04 -0.04 0.88 0.88 2zi6A1 TYR 1190 H 0.11 0.36 -0.08 -0.55 8.29 8.13 2zi6A1 TYR 1190 HA -0.02 0.04 0.60 -0.75 4.56 4.43 2zi6A1 TYR 1190 HB2 0.04 0.02 0.16 -0.04 3.06 3.23 2zi6A1 TYR 1190 HB3 -0.00 0.06 0.16 -0.04 2.98 3.15 2zi6A1 TYR 1190 HD2 0.06 -0.02 0.10 -0.04 7.15 7.25 2zi6A1 TYR 1190 HE2 0.03 -0.02 0.01 -0.04 6.85 6.82 2zi6A1 LEU 1191 H -0.18 0.59 -0.05 -0.55 8.37 8.19 2zi6A1 LEU 1191 HA -0.28 0.01 0.40 -0.75 4.35 3.73 2zi6A1 LEU 1191 HB2 -0.20 -0.06 0.26 -0.04 1.64 1.59 2zi6A1 LEU 1191 HB3 -0.14 -0.01 -0.03 -0.04 1.64 1.41 2zi6A1 LEU 1191 HG -0.21 -0.02 0.02 -0.04 1.64 1.39 2zi6A1 LEU 1191 HD13 -0.79 0.02 -0.09 -0.04 0.93 0.02 2zi6A1 LEU 1191 HD23 -0.16 -0.03 -0.02 -0.04 0.89 0.63 2zi6A1 ARG 1192 H -0.03 0.55 -0.22 -0.55 8.46 8.21 2zi6A1 ARG 1192 HA -0.02 0.00 0.25 -0.75 4.34 3.82 2zi6A1 ARG 1192 HB2 0.00 0.07 0.14 -0.04 1.90 2.07 2zi6A1 ARG 1192 HB3 0.02 -0.00 0.00 -0.04 1.80 1.79 2zi6A1 ARG 1192 HG2 0.02 0.01 -0.03 -0.04 1.67 1.62 2zi6A1 ARG 1192 HG3 0.00 -0.01 0.04 -0.04 1.67 1.66 2zi6A1 ARG 1192 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.17 2zi6A1 ARG 1192 HD3 0.02 -0.08 -0.01 -0.04 3.22 3.11 2zi6A1 GLY 1193 H 0.06 0.31 -0.55 -0.55 8.43 7.70 2zi6A1 GLY 1193 HA2 0.12 -0.00 0.28 -0.51 4.01 3.91 2zi6A1 GLY 1193 HA3 0.06 0.04 0.23 -0.51 4.01 3.83 2zi6A1 ARG 1194 H 0.04 0.20 -0.08 -0.55 8.46 8.07 2zi6A1 ARG 1194 HA 0.02 0.13 0.75 -0.75 4.34 4.49 2zi6A1 ARG 1194 HB2 0.03 0.04 -0.08 -0.04 1.90 1.85 2zi6A1 ARG 1194 HB3 0.01 -0.15 -0.04 -0.04 1.80 1.59 2zi6A1 ARG 1194 HG2 0.03 -0.03 -0.03 -0.04 1.67 1.60 2zi6A1 ARG 1194 HG3 0.03 0.14 -0.08 -0.04 1.67 1.72 2zi6A1 ARG 1194 HD2 0.05 -0.04 -0.06 -0.04 3.22 3.13 2zi6A1 ARG 1194 HD3 0.06 -0.02 -0.07 -0.04 3.22 3.15 2zi6A1 ASN 1195 H -0.00 0.25 0.13 -0.55 8.53 8.36 2zi6A1 ASN 1195 HA -0.03 0.10 0.31 -0.75 4.76 4.38 2zi6A1 ASN 1195 HB2 -0.01 0.06 0.20 -0.04 2.88 3.09 2zi6A1 ASN 1195 HB3 -0.04 -0.24 0.23 -0.04 2.79 2.70 2zi6A1 ASN 1195 HD21 -0.01 0.02 0.04 -0.04 7.03 7.04 2zi6A1 ASN 1195 HD22 -0.01 0.01 0.06 -0.04 7.74 7.77 2zi6A1 GLU 1196 H -0.08 0.15 0.06 -0.55 8.60 8.19 2zi6A1 GLU 1196 HA -0.22 0.07 0.44 -0.75 4.29 3.83 2zi6A1 GLU 1196 HB2 -0.32 0.04 0.12 -0.04 2.09 1.89 2zi6A1 GLU 1196 HB3 -0.12 -0.01 0.13 -0.04 1.99 1.95 2zi6A1 GLU 1196 HG2 -0.73 0.02 -0.46 -0.04 2.34 1.13 2zi6A1 GLU 1196 HG3 -0.07 0.02 -0.10 -0.04 2.34 2.15 2zi6A1 GLU 1197 H -0.10 0.45 -0.67 -0.55 8.60 7.73 2zi6A1 GLU 1197 HA -0.20 0.14 0.78 -0.75 4.29 4.26 2zi6A1 GLU 1197 HB2 -0.00 0.02 -0.03 -0.04 2.09 2.04 2zi6A1 GLU 1197 HB3 0.03 -0.00 0.02 -0.04 1.99 2.00 2zi6A1 GLU 1197 HG2 0.16 -0.03 -0.00 -0.04 2.34 2.43 2zi6A1 GLU 1197 HG3 0.09 -0.01 -0.16 -0.04 2.34 2.21 2zi6A1 GLN 1198 H -0.09 0.49 -0.01 -0.55 8.47 8.32 2zi6A1 GLN 1198 HA -0.02 0.05 0.33 -0.75 4.36 3.96 2zi6A1 GLN 1198 HB2 -0.07 0.15 0.18 -0.04 2.15 2.36 2zi6A1 GLN 1198 HB3 -0.07 -0.05 -0.06 -0.04 2.02 1.81 2zi6A1 GLN 1198 HG2 -0.02 0.10 -0.12 -0.04 2.40 2.32 2zi6A1 GLN 1198 HG3 -0.03 -0.06 -0.04 -0.04 2.39 2.22 2zi6A1 GLN 1198 HE21 -0.10 0.01 -0.01 -0.04 6.97 6.83 2zi6A1 GLN 1198 HE22 -0.02 -0.02 -0.05 -0.04 7.69 7.56 2zi6A1 GLY 1199 H -0.08 0.13 -0.22 -0.55 8.43 7.72 2zi6A1 GLY 1199 HA2 -0.02 0.14 0.51 -0.51 4.01 4.12 2zi6A1 GLY 1199 HA3 -0.03 -0.03 0.28 -0.51 4.01 3.72 2zi6A1 ILE 1200 H 0.03 0.35 -0.49 -0.55 8.25 7.59 2zi6A1 ILE 1200 HA 0.10 -0.01 0.38 -0.75 4.18 3.89 2zi6A1 ILE 1200 HB 0.12 0.16 0.15 -0.04 1.89 2.27 2zi6A1 ILE 1200 HG12 0.30 -0.12 0.01 -0.04 1.49 1.64 2zi6A1 ILE 1200 HG13 0.23 -0.03 0.02 -0.04 1.21 1.39 2zi6A1 ILE 1200 HG23 0.22 -0.01 -0.16 -0.04 0.93 0.94 2zi6A1 ILE 1200 HD13 0.16 0.00 0.05 -0.04 0.88 1.06 2zi6A1 PRO 1201 HA 0.05 0.19 0.26 -0.51 4.44 4.44 2zi6A1 PRO 1201 HB2 0.12 -0.46 0.14 -0.04 2.28 2.04 2zi6A1 PRO 1201 HB3 0.06 0.06 0.24 -0.04 2.02 2.33 2zi6A1 PRO 1201 HG2 0.07 -0.00 0.12 -0.04 2.03 2.17 2zi6A1 PRO 1201 HG3 0.04 0.20 0.16 -0.04 2.03 2.39 2zi6A1 PRO 1201 HD2 0.18 -0.06 0.16 -0.04 3.68 3.92 2zi6A1 PRO 1201 HD3 0.06 0.26 0.27 -0.04 3.65 4.20 2zi6A1 LEU 1202 H 0.06 0.07 0.23 -0.55 8.37 8.18 2zi6A1 LEU 1202 HA 0.06 0.24 0.77 -0.75 4.35 4.67 2zi6A1 LEU 1202 HB2 0.03 0.10 0.07 -0.04 1.64 1.80 2zi6A1 LEU 1202 HB3 0.03 -0.02 0.13 -0.04 1.64 1.74 2zi6A1 LEU 1202 HG 0.02 -0.00 -0.06 -0.04 1.64 1.56 2zi6A1 LEU 1202 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.90 2zi6A1 LEU 1202 HD23 0.02 0.02 0.00 -0.04 0.89 0.89 2zi6A1 GLU 1203 H 0.07 0.01 0.18 -0.55 8.60 8.31 2zi6A1 GLU 1203 HA 0.05 0.13 0.32 -0.75 4.29 4.04 2zi6A1 GLU 1203 HB2 0.07 0.07 0.02 -0.04 2.09 2.21 2zi6A1 GLU 1203 HB3 0.05 0.08 0.09 -0.04 1.99 2.16 2zi6A1 GLU 1203 HG2 0.03 0.11 0.06 -0.04 2.34 2.50 2zi6A1 GLU 1203 HG3 0.04 -0.03 0.06 -0.04 2.34 2.37 2zi6A1 TYR 1204 H 0.21 0.09 -0.15 -0.55 8.29 7.89 2zi6A1 TYR 1204 HA 0.06 0.15 0.55 -0.75 4.56 4.56 2zi6A1 TYR 1204 HB2 0.06 0.07 0.10 -0.04 3.06 3.25 2zi6A1 TYR 1204 HB3 0.07 0.01 0.04 -0.04 2.98 3.07 2zi6A1 TYR 1204 HD2 0.09 0.02 -0.02 -0.04 7.15 7.20 2zi6A1 TYR 1204 HE2 0.12 0.02 -0.05 -0.04 6.85 6.90 2zi6A1 LEU 1205 H 0.12 0.21 -0.30 -0.55 8.37 7.85 2zi6A1 LEU 1205 HA -0.11 -0.01 0.30 -0.75 4.35 3.78 2zi6A1 LEU 1205 HB2 0.05 0.20 -0.05 -0.04 1.64 1.79 2zi6A1 LEU 1205 HB3 0.03 -0.06 0.03 -0.04 1.64 1.59 2zi6A1 LEU 1205 HG 0.12 0.12 -0.10 -0.04 1.64 1.74 2zi6A1 LEU 1205 HD13 0.07 0.03 -0.11 -0.04 0.93 0.88 2zi6A1 LEU 1205 HD23 0.05 -0.04 -0.05 -0.04 0.89 0.81 2zi6A1 GLU 1206 H 0.05 0.16 -0.69 -0.55 8.60 7.57 2zi6A1 GLU 1206 HA 0.06 0.02 0.65 -0.75 4.29 4.27 2zi6A1 GLU 1206 HB2 0.05 0.15 0.07 -0.04 2.09 2.32 2zi6A1 GLU 1206 HB3 0.05 -0.03 0.06 -0.04 1.99 2.03 2zi6A1 GLU 1206 HG2 0.05 0.24 0.25 -0.04 2.34 2.83 2zi6A1 GLU 1206 HG3 0.04 -0.07 -0.01 -0.04 2.34 2.26 2zi6A1 LYS 1207 H 0.05 0.47 -0.01 -0.55 8.42 8.38 2zi6A1 LYS 1207 HA 0.07 0.03 0.40 -0.75 4.32 4.07 2zi6A1 LYS 1207 HB2 0.02 0.25 0.28 -0.04 1.87 2.38 2zi6A1 LYS 1207 HB3 0.07 -0.03 0.03 -0.04 1.79 1.81 2zi6A1 LYS 1207 HG2 0.13 0.05 0.17 -0.04 1.46 1.76 2zi6A1 LYS 1207 HG3 0.10 -0.01 0.05 -0.04 1.46 1.56 2zi6A1 LYS 1207 HD2 0.03 -0.00 0.06 -0.04 1.69 1.73 2zi6A1 LYS 1207 HD3 0.05 -0.12 0.03 -0.04 1.68 1.60 2zi6A1 LYS 1207 HE2 0.01 -0.03 0.01 -0.04 2.99 2.93 2zi6A1 LYS 1207 HE3 0.05 -0.01 -0.00 -0.04 2.99 2.99 2zi6A1 LEU 1208 H -0.03 0.33 -0.34 -0.55 8.37 7.79 2zi6A1 LEU 1208 HA -0.01 0.08 0.32 -0.75 4.35 3.99 2zi6A1 LEU 1208 HB2 -0.07 0.07 0.06 -0.04 1.64 1.66 2zi6A1 LEU 1208 HB3 0.04 -0.07 -0.02 -0.04 1.64 1.55 2zi6A1 LEU 1208 HG -0.57 0.13 -0.07 -0.04 1.64 1.10 2zi6A1 LEU 1208 HD13 -0.16 -0.02 -0.07 -0.04 0.93 0.64 2zi6A1 LEU 1208 HD23 -0.11 -0.01 -0.10 -0.04 0.89 0.62 2zi6A1 HIS 1209 H 0.21 0.42 -0.11 -0.55 8.41 8.39 2zi6A1 HIS 1209 HA 0.22 0.00 0.48 -0.75 4.63 4.58 2zi6A1 HIS 1209 HB2 0.08 -0.03 0.14 -0.04 3.26 3.41 2zi6A1 HIS 1209 HB3 0.09 0.13 0.25 -0.04 3.20 3.63 2zi6A1 HIS 1209 HD2 0.13 0.04 -0.12 -0.04 6.97 6.98 2zi6A1 HIS 1209 HE1 0.02 -0.00 -0.04 -0.04 7.75 7.69 2zi6A1 TYR 1210 H 0.33 0.53 -0.08 -0.55 8.29 8.53 2zi6A1 TYR 1210 HA 0.08 0.01 0.45 -0.75 4.56 4.35 2zi6A1 TYR 1210 HB2 0.12 -0.02 0.12 -0.04 3.06 3.24 2zi6A1 TYR 1210 HB3 0.08 0.19 0.11 -0.04 2.98 3.32 2zi6A1 TYR 1210 HD2 0.07 0.03 -0.05 -0.04 7.15 7.15 2zi6A1 TYR 1210 HE2 0.04 0.01 -0.02 -0.04 6.85 6.84 2zi6A1 LYS 1211 H 0.13 0.26 -0.50 -0.55 8.42 7.76 2zi6A1 LYS 1211 HA -0.06 0.05 0.45 -0.75 4.32 4.00 2zi6A1 LYS 1211 HB2 0.01 0.07 0.20 -0.04 1.87 2.11 2zi6A1 LYS 1211 HB3 -0.07 0.00 0.04 -0.04 1.79 1.72 2zi6A1 LYS 1211 HG2 0.05 -0.03 0.04 -0.04 1.46 1.49 2zi6A1 LYS 1211 HG3 0.12 0.09 0.04 -0.04 1.46 1.68 2zi6A1 LYS 1211 HD2 -0.02 -0.04 0.03 -0.04 1.69 1.61 2zi6A1 LYS 1211 HD3 -0.05 0.13 0.13 -0.04 1.68 1.85 2zi6A1 LYS 1211 HE2 0.03 -0.02 -0.06 -0.04 2.99 2.90 2zi6A1 LYS 1211 HE3 -0.02 -0.13 -0.17 -0.04 2.99 2.64 2zi6A1 HIS 1212 H 0.11 0.41 -0.01 -0.55 8.41 8.37 2zi6A1 HIS 1212 HA 0.01 0.02 0.49 -0.75 4.63 4.40 2zi6A1 HIS 1212 HB2 -0.02 0.06 0.27 -0.04 3.26 3.54 2zi6A1 HIS 1212 HB3 -0.22 -0.02 -0.04 -0.04 3.20 2.88 2zi6A1 HIS 1212 HD2 -0.05 0.02 -0.12 -0.04 6.97 6.78 2zi6A1 HIS 1212 HE1 -0.00 0.00 -0.25 -0.04 7.75 7.46 2zi6A1 GLU 1213 H -0.17 0.85 -0.04 -0.55 8.60 8.70 2zi6A1 GLU 1213 HA -0.33 -0.01 0.26 -0.75 4.29 3.46 2zi6A1 GLU 1213 HB2 -0.17 0.10 0.06 -0.04 2.09 2.04 2zi6A1 GLU 1213 HB3 -0.29 -0.03 0.04 -0.04 1.99 1.67 2zi6A1 GLU 1213 HG2 -0.60 0.15 0.08 -0.04 2.34 1.93 2zi6A1 GLU 1213 HG3 -0.34 -0.04 -0.05 -0.04 2.34 1.86 2zi6A1 SER 1214 H -0.22 0.53 -0.22 -0.55 8.46 8.01 2zi6A1 SER 1214 HA 0.03 -0.00 0.52 -0.75 4.49 4.29 2zi6A1 SER 1214 HB2 -0.22 -0.01 0.12 -0.04 3.95 3.80 2zi6A1 SER 1214 HB3 -0.20 0.10 0.18 -0.04 3.93 3.97 2zi6A1 TRP 1215 H 0.04 0.48 -0.32 -0.55 7.97 7.63 2zi6A1 TRP 1215 HA -0.15 0.03 0.48 -0.75 4.62 4.23 2zi6A1 TRP 1215 HB2 -0.15 -0.02 0.04 -0.04 3.23 3.06 2zi6A1 TRP 1215 HB3 -0.22 0.04 0.17 -0.04 3.23 3.18 2zi6A1 TRP 1215 HD1 -0.17 0.10 -0.08 -0.04 7.22 7.03 2zi6A1 TRP 1215 HE1 -0.22 0.05 -0.18 -0.04 10.20 9.82 2zi6A1 TRP 1215 HE3 -0.21 0.02 -0.12 -0.04 7.59 7.24 2zi6A1 TRP 1215 HZ2 -0.15 0.03 -0.14 -0.04 7.44 7.14 2zi6A1 TRP 1215 HZ3 -0.01 -0.11 -0.16 -0.04 7.13 6.81 2zi6A1 TRP 1215 HH2 0.13 -0.15 -0.18 -0.04 7.19 6.96 2zi6A1 LEU 1216 H -0.38 0.84 0.12 -0.55 8.37 8.40 2zi6A1 LEU 1216 HA -0.62 0.25 0.36 -0.75 4.35 3.58 2zi6A1 LEU 1216 HB2 -1.14 -0.01 -0.04 -0.04 1.64 0.40 2zi6A1 LEU 1216 HB3 -0.69 -0.00 -0.02 -0.04 1.64 0.88 2zi6A1 LEU 1216 HG -1.38 -0.05 -0.14 -0.04 1.64 0.03 2zi6A1 LEU 1216 HD13 -0.57 -0.05 -0.11 -0.04 0.93 0.16 2zi6A1 LEU 1216 HD23 -1.45 0.02 -0.16 -0.04 0.89 -0.74 2zi6A1 LEU 1217 H -0.33 0.20 -0.08 -0.55 8.37 7.62 2zi6A1 LEU 1217 HA -0.17 0.19 0.83 -0.75 4.35 4.45 2zi6A1 LEU 1217 HB2 -0.09 -0.03 -0.05 -0.04 1.64 1.42 2zi6A1 LEU 1217 HB3 -0.36 -0.05 0.16 -0.04 1.64 1.34 2zi6A1 LEU 1217 HG -0.63 0.09 -0.31 -0.04 1.64 0.75 2zi6A1 LEU 1217 HD13 -0.08 0.00 -0.03 -0.04 0.93 0.78 2zi6A1 LEU 1217 HD23 -0.33 -0.03 -0.04 -0.04 0.89 0.44 2zi6A1 HIS 1218 H -0.30 0.55 0.20 -0.55 8.41 8.31 2zi6A1 HIS 1218 HA -0.04 0.14 0.65 -0.75 4.63 4.63 2zi6A1 HIS 1218 HB2 -0.07 -0.03 0.18 -0.04 3.26 3.30 2zi6A1 HIS 1218 HB3 -0.04 -0.00 0.09 -0.04 3.20 3.21 2zi6A1 HIS 1218 HD2 -0.13 -0.05 -0.21 -0.04 6.97 6.53 2zi6A1 HIS 1218 HE1 0.00 -0.01 -0.05 -0.04 7.75 7.65 2zi6A1 ARG 1219 H -0.03 0.14 -0.23 -0.55 8.46 7.78 2zi6A1 ARG 1219 HA 0.01 0.26 0.30 -0.75 4.34 4.15 2zi6A1 ARG 1219 HB2 -0.01 0.15 -0.14 -0.04 1.90 1.86 2zi6A1 ARG 1219 HB3 -0.01 -0.01 0.17 -0.04 1.80 1.92 2zi6A1 ARG 1219 HG2 -0.11 0.08 -0.12 -0.04 1.67 1.48 2zi6A1 ARG 1219 HG3 -0.07 0.01 -0.40 -0.04 1.67 1.17 2zi6A1 ARG 1219 HD2 -0.06 -0.04 -0.03 -0.04 3.22 3.05 2zi6A1 ARG 1219 HD3 -0.04 -0.01 0.03 -0.04 3.22 3.16 2zi6A1 THR 1220 H 0.05 0.02 -0.29 -0.55 8.28 7.52 2zi6A1 THR 1220 HA 0.02 0.08 0.42 -0.75 4.39 4.15 2zi6A1 THR 1220 HB 0.01 -0.01 0.05 -0.04 4.32 4.33 2zi6A1 THR 1220 HG23 0.03 -0.01 0.11 -0.04 1.22 1.31 2zi6A1 LEU 1221 H 0.03 0.12 -0.15 -0.55 8.37 7.83 2zi6A1 LEU 1221 HA -0.02 -0.07 0.27 -0.75 4.35 3.78 2zi6A1 LYS 1222 H -0.07 0.10 0.16 -0.55 8.42 8.06 2zi6A1 LYS 1222 HA -0.07 0.23 0.86 -0.75 4.32 4.58 2zi6A1 THR 1223 H -0.09 0.31 0.16 -0.55 8.28 8.11 2zi6A1 THR 1223 HA -0.07 0.18 0.74 -0.75 4.39 4.49 2zi6A1 THR 1223 HB -0.50 0.02 -0.00 -0.04 4.32 3.80 2zi6A1 THR 1223 HG23 -0.37 0.04 -0.30 -0.04 1.22 0.55 2zi6A1 ASN 1224 H -0.03 0.19 0.03 -0.55 8.53 8.18 2zi6A1 ASN 1224 HA -0.13 0.19 0.65 -0.75 4.76 4.72 2zi6A1 ASN 1224 HB2 -0.20 -0.01 0.13 -0.04 2.88 2.75 2zi6A1 ASN 1224 HB3 -0.29 0.05 0.23 -0.04 2.79 2.74 2zi6A1 ASN 1224 HD21 -0.06 0.01 -0.02 -0.04 7.03 6.93 2zi6A1 ASN 1224 HD22 -0.10 0.02 0.03 -0.04 7.74 7.65 2zi6A1 PHE 1225 H 0.06 0.19 -0.78 -0.55 8.34 7.25 2zi6A1 PHE 1225 HA 0.18 0.13 0.37 -0.75 4.62 4.55 2zi6A1 PHE 1225 HB2 0.05 -0.03 0.11 -0.04 3.15 3.24 2zi6A1 PHE 1225 HB3 0.46 0.02 0.09 -0.04 3.06 3.59 2zi6A1 PHE 1225 HD2 0.26 -0.01 -0.06 -0.04 7.28 7.43 2zi6A1 PHE 1225 HE2 0.25 0.03 -0.11 -0.04 7.38 7.51 2zi6A1 PHE 1225 HZ 0.27 0.01 -0.19 -0.04 7.32 7.37 2zi6A1 ASP 1226 H 0.11 0.20 0.01 -0.55 8.40 8.16 2zi6A1 ASP 1226 HA 0.04 0.15 0.43 -0.75 4.63 4.50 2zi6A1 ASP 1226 HB2 0.08 0.01 0.03 -0.04 2.71 2.78 2zi6A1 ASP 1226 HB3 0.04 0.07 0.08 -0.04 2.70 2.84 2zi6A1 TYR 1227 H 0.36 0.03 -0.27 -0.55 8.29 7.86 2zi6A1 TYR 1227 HA 0.03 0.09 0.34 -0.75 4.56 4.26 2zi6A1 TYR 1227 HB2 0.03 0.09 0.06 -0.04 3.06 3.20 2zi6A1 TYR 1227 HB3 0.07 -0.05 0.09 -0.04 2.98 3.05 2zi6A1 TYR 1227 HD2 0.11 -0.03 -0.06 -0.04 7.15 7.13 2zi6A1 TYR 1227 HE2 0.08 0.17 0.01 -0.04 6.85 7.06 2zi6A1 LEU 1228 H -0.53 0.11 -0.31 -0.55 8.37 7.09 2zi6A1 LEU 1228 HA -0.76 0.03 0.14 -0.75 4.35 3.00 2zi6A1 LEU 1228 HB2 -0.30 0.14 0.05 -0.04 1.64 1.49 2zi6A1 LEU 1228 HB3 -0.21 0.08 -0.18 -0.04 1.64 1.29 2zi6A1 LEU 1228 HG -1.05 -0.07 -0.01 -0.04 1.64 0.47 2zi6A1 LEU 1228 HD13 -0.71 -0.03 -0.09 -0.04 0.93 0.06 2zi6A1 LEU 1228 HD23 -0.57 0.01 -0.06 -0.04 0.89 0.23 2zi6A1 GLN 1229 H -0.09 0.24 -0.42 -0.55 8.47 7.66 2zi6A1 GLN 1229 HA -0.04 0.08 0.24 -0.75 4.36 3.89 2zi6A1 GLU 1230 H -0.05 0.39 -0.22 -0.55 8.60 8.17 2zi6A1 GLU 1230 HA -0.01 -0.02 0.57 -0.75 4.29 4.08 2zi6A1 VAL 1231 H -0.03 0.05 -0.03 -0.55 8.24 7.69 2zi6A1 VAL 1231 HA -0.00 0.02 0.28 -0.75 4.13 3.68 2zi6A1 VAL 1231 HB -0.13 0.16 -0.06 -0.04 2.12 2.05 2zi6A1 VAL 1231 HG13 -0.01 0.02 -0.41 -0.04 0.97 0.54 2zi6A1 VAL 1231 HG23 -0.01 -0.01 -0.11 -0.04 0.95 0.79 2zi6A1 PRO 1232 HA 0.03 0.14 0.65 -0.51 4.44 4.74 2zi6A1 PRO 1232 HB2 0.18 -0.04 0.02 -0.04 2.28 2.40 2zi6A1 PRO 1232 HB3 0.07 0.02 0.11 -0.04 2.02 2.18 2zi6A1 PRO 1232 HG2 -0.10 0.06 0.08 -0.04 2.03 2.03 2zi6A1 PRO 1232 HG3 -0.02 0.03 0.03 -0.04 2.03 2.02 2zi6A1 PRO 1232 HD2 0.00 0.20 0.26 -0.04 3.68 4.10 2zi6A1 PRO 1232 HD3 -0.01 0.03 0.19 -0.04 3.65 3.82 2zi6A1 ILE 1233 H 0.02 0.22 0.28 -0.55 8.25 8.22 2zi6A1 ILE 1233 HA -0.07 0.18 1.07 -0.75 4.18 4.61 2zi6A1 ILE 1233 HB -0.13 0.05 0.12 -0.04 1.89 1.89 2zi6A1 ILE 1233 HG12 -0.35 -0.18 -0.05 -0.04 1.49 0.87 2zi6A1 ILE 1233 HG13 -0.16 0.08 -0.38 -0.04 1.21 0.72 2zi6A1 ILE 1233 HG23 -0.19 -0.03 -0.10 -0.04 0.93 0.56 2zi6A1 ILE 1233 HD13 -0.24 0.05 -0.04 -0.04 0.88 0.61 2zi6A1 LEU 1234 H -0.39 0.59 0.43 -0.55 8.37 8.45 2zi6A1 LEU 1234 HA -0.21 0.16 0.78 -0.75 4.35 4.33 2zi6A1 LEU 1234 HB2 -1.41 0.09 -0.02 -0.04 1.64 0.26 2zi6A1 LEU 1234 HB3 -0.78 -0.07 0.11 -0.04 1.64 0.86 2zi6A1 LEU 1234 HG -0.23 -0.07 -0.18 -0.04 1.64 1.13 2zi6A1 LEU 1234 HD13 -0.05 0.02 0.01 -0.04 0.93 0.87 2zi6A1 LEU 1234 HD23 -0.23 -0.02 -0.21 -0.04 0.89 0.40 2zi6A1 THR 1235 H -0.13 0.23 0.10 -0.55 8.28 7.94 2zi6A1 THR 1235 HA -0.12 0.20 1.11 -0.75 4.39 4.82 2zi6A1 THR 1235 HB -0.06 0.02 0.14 -0.04 4.32 4.38 2zi6A1 THR 1235 HG23 -0.12 -0.02 -0.15 -0.04 1.22 0.89 2zi6A1 LEU 1236 H -0.23 0.44 0.19 -0.55 8.37 8.22 2zi6A1 LEU 1236 HA -0.17 0.16 0.92 -0.75 4.35 4.51 2zi6A1 LEU 1236 HB2 -0.31 -0.04 -0.05 -0.04 1.64 1.20 2zi6A1 LEU 1236 HB3 -0.27 0.05 -0.03 -0.04 1.64 1.35 2zi6A1 LEU 1236 HG -0.19 -0.03 -0.22 -0.04 1.64 1.16 2zi6A1 LEU 1236 HD13 -0.20 -0.01 -0.12 -0.04 0.93 0.56 2zi6A1 LEU 1236 HD23 -0.12 0.03 -0.23 -0.04 0.89 0.53 2zi6A1 ASP 1237 H -0.15 0.15 0.19 -0.55 8.40 8.05 2zi6A1 ASP 1237 HA -0.16 0.35 0.79 -0.75 4.63 4.86 2zi6A1 ASP 1237 HB2 -0.09 0.05 0.11 -0.04 2.71 2.74 2zi6A1 ASP 1237 HB3 -0.09 0.01 0.21 -0.04 2.70 2.79 2zi6A1 VAL 1238 H -0.09 0.30 0.22 -0.55 8.24 8.12 2zi6A1 VAL 1238 HA -0.02 0.30 1.06 -0.75 4.13 4.73 2zi6A1 VAL 1238 HB 0.29 0.02 0.10 -0.04 2.12 2.49 2zi6A1 VAL 1238 HG13 -0.36 0.01 -0.34 -0.04 0.97 0.24 2zi6A1 VAL 1238 HG23 -0.01 0.02 -0.20 -0.04 0.95 0.72 2zi6A1 ASN 1239 H -0.02 0.04 0.06 -0.55 8.53 8.07 2zi6A1 ASN 1239 HA 0.01 0.03 0.47 -0.75 4.76 4.51 2zi6A1 ASN 1239 HB2 -0.01 0.02 0.09 -0.04 2.88 2.95 2zi6A1 ASN 1239 HB3 -0.00 0.02 0.05 -0.04 2.79 2.82 2zi6A1 ASN 1239 HD21 -0.03 -0.01 0.04 -0.04 7.03 6.99 2zi6A1 ASN 1239 HD22 -0.03 0.09 0.07 -0.04 7.74 7.83 2zi6A1 GLU 1240 H 0.02 0.01 -0.20 -0.55 8.60 7.89 2zi6A1 GLU 1240 HA 0.01 0.02 0.59 -0.75 4.29 4.16 2zi6A1 GLU 1240 HB2 0.01 -0.08 0.06 -0.04 2.09 2.04 2zi6A1 GLU 1240 HB3 0.04 0.06 0.00 -0.04 1.99 2.06 2zi6A1 GLU 1240 HG2 0.02 0.14 -0.01 -0.04 2.34 2.45 2zi6A1 GLU 1240 HG3 0.01 -0.06 0.05 -0.04 2.34 2.31 2zi6A1 ASP 1241 H -0.01 0.04 0.15 -0.55 8.40 8.03 2zi6A1 ASP 1241 HA -0.21 0.11 0.35 -0.75 4.63 4.12 2zi6A1 ASP 1241 HB2 -0.07 0.06 0.14 -0.04 2.71 2.79 2zi6A1 ASP 1241 HB3 -0.04 -0.00 0.03 -0.04 2.70 2.65 2zi6A1 PHE 1242 H -0.53 -0.06 0.19 -0.55 8.34 7.39 2zi6A1 PHE 1242 HA 0.03 0.31 0.89 -0.75 4.62 5.09 2zi6A1 PHE 1242 HB2 0.05 -0.05 0.07 -0.04 3.15 3.18 2zi6A1 PHE 1242 HB3 -0.04 0.18 -0.17 -0.04 3.06 2.99 2zi6A1 PHE 1242 HD2 -0.01 0.14 -0.23 -0.04 7.28 7.14 2zi6A1 PHE 1242 HE2 -0.03 0.04 -0.07 -0.04 7.38 7.28 2zi6A1 PHE 1242 HZ -0.05 -0.09 0.03 -0.04 7.32 7.17 2zi6A1 LYS 1243 H -0.17 -0.03 0.11 -0.55 8.42 7.78 2zi6A1 LYS 1243 HA 0.17 0.10 0.29 -0.75 4.32 4.12 2zi6A1 LYS 1243 HB2 -0.02 -0.00 0.02 -0.04 1.87 1.83 2zi6A1 LYS 1243 HB3 0.02 0.08 0.03 -0.04 1.79 1.88 2zi6A1 LYS 1243 HG2 -0.24 -0.05 0.06 -0.04 1.46 1.19 2zi6A1 LYS 1243 HG3 -0.17 -0.01 0.06 -0.04 1.46 1.30 2zi6A1 LYS 1243 HD2 -0.05 0.04 -0.01 -0.04 1.69 1.64 2zi6A1 LYS 1243 HD3 -0.03 0.03 0.01 -0.04 1.68 1.65 2zi6A1 LYS 1243 HE2 -0.17 -0.03 -0.00 -0.04 2.99 2.75 2zi6A1 LYS 1243 HE3 -0.08 0.06 -0.02 -0.04 2.99 2.91 2zi6A1 ASP 1244 H 0.08 0.06 -0.52 -0.55 8.40 7.48 2zi6A1 ASP 1244 HA 0.12 0.22 0.79 -0.75 4.63 5.01 2zi6A1 ASP 1244 HB2 0.03 -0.03 0.00 -0.04 2.71 2.67 2zi6A1 ASP 1244 HB3 0.03 0.03 0.12 -0.04 2.70 2.84 2zi6A1 LYS 1245 H 0.22 0.57 -0.54 -0.55 8.42 8.12 2zi6A1 LYS 1245 HA -0.06 -0.03 0.37 -0.75 4.32 3.86 2zi6A1 LYS 1245 HB2 0.02 0.28 -0.07 -0.04 1.87 2.06 2zi6A1 LYS 1245 HB3 0.06 0.02 0.04 -0.04 1.79 1.87 2zi6A1 LYS 1245 HG2 0.01 -0.09 -0.01 -0.04 1.46 1.34 2zi6A1 LYS 1245 HG3 -0.01 -0.00 0.09 -0.04 1.46 1.50 2zi6A1 LYS 1245 HD2 0.00 0.04 0.02 -0.04 1.69 1.71 2zi6A1 LYS 1245 HD3 0.02 0.02 -0.00 -0.04 1.68 1.67 2zi6A1 LYS 1245 HE2 0.00 -0.05 -0.00 -0.04 2.99 2.89 2zi6A1 LYS 1245 HE3 -0.00 0.02 0.01 -0.04 2.99 2.97 2zi6A1 TYR 1246 H -0.37 0.12 0.12 -0.55 8.29 7.60 2zi6A1 TYR 1246 HA 0.06 0.27 1.06 -0.75 4.56 5.20 2zi6A1 TYR 1246 HB2 0.25 -0.08 0.12 -0.04 3.06 3.31 2zi6A1 TYR 1246 HB3 0.23 0.21 -0.04 -0.04 2.98 3.34 2zi6A1 TYR 1246 HD2 0.15 -0.00 -0.20 -0.04 7.15 7.06 2zi6A1 TYR 1246 HE2 0.08 0.07 -0.03 -0.04 6.85 6.92 2zi6A1 GLU 1247 H -0.19 0.12 0.08 -0.55 8.60 8.07 2zi6A1 GLU 1247 HA 0.06 0.11 0.29 -0.75 4.29 3.99 2zi6A1 GLU 1247 HB2 -0.13 0.01 0.13 -0.04 2.09 2.05 2zi6A1 GLU 1247 HB3 -0.03 0.03 -0.00 -0.04 1.99 1.95 2zi6A1 GLU 1247 HG2 -0.02 0.05 -0.01 -0.04 2.34 2.32 2zi6A1 GLU 1247 HG3 0.02 0.00 -0.02 -0.04 2.34 2.30 2zi6A1 SER 1248 H 0.01 0.09 -0.22 -0.55 8.46 7.80 2zi6A1 SER 1248 HA 0.03 0.09 0.39 -0.75 4.49 4.24 2zi6A1 SER 1248 HB2 0.00 -0.01 0.04 -0.04 3.95 3.94 2zi6A1 SER 1248 HB3 0.00 0.02 -0.04 -0.04 3.93 3.86 2zi6A1 LEU 1249 H 0.06 0.09 -0.35 -0.55 8.37 7.62 2zi6A1 LEU 1249 HA -0.04 0.03 0.42 -0.75 4.35 4.01 2zi6A1 LEU 1249 HB2 0.12 0.22 0.24 -0.04 1.64 2.18 2zi6A1 LEU 1249 HB3 -0.15 -0.01 0.00 -0.04 1.64 1.44 2zi6A1 LEU 1249 HG -0.14 -0.03 0.05 -0.04 1.64 1.48 2zi6A1 LEU 1249 HD13 -0.85 0.02 0.00 -0.04 0.93 0.06 2zi6A1 LEU 1249 HD23 -0.29 0.01 -0.03 -0.04 0.89 0.54 2zi6A1 VAL 1250 H 0.29 0.51 0.02 -0.55 8.24 8.52 2zi6A1 VAL 1250 HA 0.17 0.01 0.34 -0.75 4.13 3.89 2zi6A1 VAL 1250 HB 0.26 0.02 0.04 -0.04 2.12 2.40 2zi6A1 VAL 1250 HG13 0.29 0.01 -0.10 -0.04 0.97 1.13 2zi6A1 VAL 1250 HG23 0.33 0.05 -0.03 -0.04 0.95 1.25 2zi6A1 GLU 1251 H 0.12 0.70 -0.13 -0.55 8.60 8.74 2zi6A1 GLU 1251 HA 0.11 0.01 0.45 -0.75 4.29 4.11 2zi6A1 GLU 1251 HB2 0.06 0.18 0.18 -0.04 2.09 2.47 2zi6A1 GLU 1251 HB3 0.05 0.01 -0.08 -0.04 1.99 1.93 2zi6A1 GLU 1251 HG2 0.04 -0.04 -0.03 -0.04 2.34 2.27 2zi6A1 GLU 1251 HG3 0.04 -0.02 -0.01 -0.04 2.34 2.31 2zi6A1 LYS 1252 H 0.08 0.49 -0.39 -0.55 8.42 8.04 2zi6A1 LYS 1252 HA 0.06 0.02 0.47 -0.75 4.32 4.12 2zi6A1 LYS 1252 HB2 0.02 0.25 0.26 -0.04 1.87 2.36 2zi6A1 LYS 1252 HB3 -0.00 -0.08 0.01 -0.04 1.79 1.68 2zi6A1 LYS 1252 HG2 0.01 -0.05 0.03 -0.04 1.46 1.41 2zi6A1 LYS 1252 HG3 0.02 0.11 0.07 -0.04 1.46 1.63 2zi6A1 LYS 1252 HD2 -0.02 0.02 -0.10 -0.04 1.69 1.54 2zi6A1 LYS 1252 HD3 -0.05 -0.06 0.01 -0.04 1.68 1.55 2zi6A1 LYS 1252 HE2 -0.03 0.01 0.01 -0.04 2.99 2.94 2zi6A1 LYS 1252 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2zi6A1 VAL 1253 H 0.09 0.43 0.04 -0.55 8.24 8.26 2zi6A1 VAL 1253 HA 0.09 -0.01 0.36 -0.75 4.13 3.81 2zi6A1 VAL 1253 HB 0.06 0.22 0.06 -0.04 2.12 2.42 2zi6A1 VAL 1253 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.69 2zi6A1 VAL 1253 HG23 0.01 0.02 -0.07 -0.04 0.95 0.87 2zi6A1 LYS 1254 H 0.14 0.42 -0.51 -0.55 8.42 7.92 2zi6A1 LYS 1254 HA 0.20 0.03 0.37 -0.75 4.32 4.16 2zi6A1 LYS 1254 HB2 0.14 0.10 0.15 -0.04 1.87 2.23 2zi6A1 LYS 1254 HB3 0.14 -0.04 -0.01 -0.04 1.79 1.84 2zi6A1 LYS 1254 HG2 0.38 -0.02 -0.04 -0.04 1.46 1.74 2zi6A1 LYS 1254 HG3 0.32 0.12 -0.02 -0.04 1.46 1.84 2zi6A1 LYS 1254 HD2 0.16 -0.05 -0.12 -0.04 1.69 1.64 2zi6A1 LYS 1254 HD3 0.14 -0.02 -0.04 -0.04 1.68 1.72 2zi6A1 LYS 1254 HE2 0.20 0.02 -0.07 -0.04 2.99 3.10 2zi6A1 LYS 1254 HE3 0.35 -0.03 -0.12 -0.04 2.99 3.15 2zi6A1 GLU 1255 H 0.11 0.46 -0.03 -0.55 8.60 8.59 2zi6A1 GLU 1255 HA 0.07 0.02 0.48 -0.75 4.29 4.10 2zi6A1 GLU 1255 HB2 0.07 0.03 0.17 -0.04 2.09 2.31 2zi6A1 GLU 1255 HB3 0.09 0.02 0.18 -0.04 1.99 2.24 2zi6A1 GLU 1255 HG2 0.05 -0.02 -0.04 -0.04 2.34 2.30 2zi6A1 GLU 1255 HG3 0.05 0.02 0.00 -0.04 2.34 2.36 2zi6A1 PHE 1256 H 0.22 0.60 -0.10 -0.55 8.34 8.50 2zi6A1 PHE 1256 HA -0.00 -0.00 0.29 -0.75 4.62 4.15 2zi6A1 PHE 1256 HB2 -0.00 -0.06 0.05 -0.04 3.15 3.10 2zi6A1 PHE 1256 HB3 0.01 0.12 0.13 -0.04 3.06 3.27 2zi6A1 PHE 1256 HD2 -0.02 0.03 -0.11 -0.04 7.28 7.13 2zi6A1 PHE 1256 HE2 -0.05 -0.03 -0.31 -0.04 7.38 6.95 2zi6A1 PHE 1256 HZ -0.05 -0.00 -0.05 -0.04 7.32 7.17 2zi6A1 LEU 1257 H 0.15 0.61 -0.13 -0.55 8.37 8.45 2zi6A1 LEU 1257 HA -0.22 -0.00 0.34 -0.75 4.35 3.72 2zi6A1 LEU 1257 HB2 0.11 0.05 0.11 -0.04 1.64 1.86 2zi6A1 LEU 1257 HB3 0.03 0.00 -0.04 -0.04 1.64 1.59 2zi6A1 LEU 1257 HG 0.11 -0.01 -0.04 -0.04 1.64 1.66 2zi6A1 LEU 1257 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.75 2zi6A1 LEU 1257 HD23 -0.14 -0.00 -0.07 -0.04 0.89 0.64 2zi6A1 SER 1258 H 0.03 0.44 -0.35 -0.55 8.46 8.03 2zi6A1 SER 1258 HA 0.00 -0.03 0.32 -0.75 4.49 4.02 2zi6A1 SER 1258 HB2 0.02 -0.15 0.12 -0.04 3.95 3.91 2zi6A1 SER 1258 HB3 0.04 0.26 0.26 -0.04 3.93 4.45 2zi6A1 THR 1259 H -0.11 0.43 -0.60 -0.55 8.28 7.46 2zi6A1 THR 1259 HA -0.05 0.15 0.84 -0.75 4.39 4.58 2zi6A1 THR 1259 HB -0.04 -0.10 0.13 -0.04 4.32 4.27 2zi6A1 THR 1259 HG23 -0.01 0.09 -0.10 -0.04 1.22 1.16 2zi6A1 LEU 1260 H -0.13 0.50 -0.28 -0.55 8.37 7.91 2zi6A1 LEU 1260 HA -0.13 0.21 0.69 -0.75 4.35 4.36 2zi6A1 LEU 1260 HB2 -0.17 0.03 0.09 -0.04 1.64 1.55 2zi6A1 LEU 1260 HB3 -0.17 -0.00 0.07 -0.04 1.64 1.50 2zi6A1 LEU 1260 HG -0.46 0.18 -0.03 -0.04 1.64 1.30 2zi6A1 LEU 1260 HD13 -0.50 -0.03 -0.11 -0.04 0.93 0.24 2zi6A1 LEU 1260 HD23 -0.48 0.01 -0.04 -0.04 0.89 0.34