============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 11.655 17.987 39.743 -99.200 -91.000 PHE 8 1.000 14.532 13.316 36.616 -99.200 -91.000 PHE 19 1.000 23.858 14.015 46.688 -99.200 -91.000 PHE 22 1.000 14.909 17.293 54.016 -99.200 -91.000 PHE 54 1.000 2.524 26.279 59.602 -99.200 -91.000 PHE 61 1.000 8.779 26.606 73.465 -99.200 -91.000 PHE 71 1.000 5.608 29.718 50.079 -99.200 -91.000 HIS 81 0.900 21.974 28.632 42.848 -99.200 -91.000 TYR 91 0.840 4.632 15.947 58.110 -99.200 -91.000 PHE 96 1.000 -5.488 20.518 54.723 -99.200 -91.000 PHE 103 1.000 1.964 25.342 49.909 -99.200 -91.000 TYR 104 0.840 -0.438 22.633 45.870 -99.200 -91.000 PHE 128 1.000 -3.653 18.553 49.663 -99.200 -91.000 HIS 135 0.900 -2.220 27.761 41.305 -99.200 -91.000 PHE 141 1.000 0.321 12.187 44.240 -99.200 -91.000 TYR 158 0.840 -4.230 9.789 40.666 -99.200 -91.000 TYR 162 0.840 10.724 13.955 42.950 -99.200 -91.000 TYR 164 0.840 10.910 10.080 48.814 -99.200 -91.000 HIS 176 0.900 8.493 -6.291 40.486 -99.200 -91.000 TYR 184 0.840 1.715 -0.098 35.554 -99.200 -91.000 PHE 193 1.000 13.830 5.723 55.954 -99.200 -91.000 HIS 225 0.900 31.585 20.232 61.283 -99.200 -91.000 PHE 239 1.000 27.489 13.212 52.838 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1v7yB1 MET 1001 HA 0.02 -0.11 0.20 -0.75 4.52 3.87 1v7yB1 MET 1001 HB2 0.01 -0.01 0.06 -0.04 2.15 2.16 1v7yB1 MET 1001 HB3 0.01 0.04 -0.03 -0.04 2.03 2.00 1v7yB1 MET 1001 HG2 0.01 -0.04 0.01 -0.04 2.63 2.57 1v7yB1 MET 1001 HG3 0.00 0.02 -0.03 -0.04 2.56 2.52 1v7yB1 MET 1001 HE3 0.01 0.02 -0.01 -0.04 2.10 2.07 1v7yB1 GLU 1002 H 0.03 0.12 0.05 -0.55 8.60 8.25 1v7yB1 GLU 1002 HA 0.05 0.27 0.98 -0.75 4.29 4.84 1v7yB1 GLU 1002 HB2 0.06 0.10 -0.03 -0.04 2.09 2.17 1v7yB1 GLU 1002 HB3 0.08 -0.12 0.20 -0.04 1.99 2.10 1v7yB1 GLU 1002 HG2 0.11 0.19 0.09 -0.04 2.34 2.69 1v7yB1 GLU 1002 HG3 0.10 0.03 0.05 -0.04 2.34 2.48 1v7yB1 ARG 1003 H -0.01 0.32 0.08 -0.55 8.46 8.30 1v7yB1 ARG 1003 HA -0.07 0.10 0.37 -0.75 4.34 3.98 1v7yB1 ARG 1003 HB2 -0.18 -0.06 0.19 -0.04 1.90 1.81 1v7yB1 ARG 1003 HB3 -0.33 -0.00 -0.03 -0.04 1.80 1.40 1v7yB1 ARG 1003 HG2 -0.14 0.08 -0.36 -0.04 1.67 1.21 1v7yB1 ARG 1003 HG3 -0.09 0.06 0.02 -0.04 1.67 1.61 1v7yB1 ARG 1003 HD2 -0.04 -0.12 0.00 -0.04 3.22 3.02 1v7yB1 ARG 1003 HD3 -0.06 -0.01 0.03 -0.04 3.22 3.14 1v7yB1 TYR 1004 H -0.05 0.13 -0.02 -0.55 8.29 7.80 1v7yB1 TYR 1004 HA -0.35 0.08 0.41 -0.75 4.56 3.95 1v7yB1 TYR 1004 HB2 0.05 -0.08 0.12 -0.04 3.06 3.11 1v7yB1 TYR 1004 HB3 -0.01 0.19 -0.05 -0.04 2.98 3.07 1v7yB1 TYR 1004 HD2 -0.13 0.04 -0.05 -0.04 7.15 6.97 1v7yB1 TYR 1004 HE2 -0.00 0.01 -0.25 -0.04 6.85 6.57 1v7yB1 GLU 1005 H 0.17 0.08 -0.15 -0.55 8.60 8.16 1v7yB1 GLU 1005 HA 0.26 0.08 0.42 -0.75 4.29 4.29 1v7yB1 GLU 1005 HB2 0.14 -0.02 0.13 -0.04 2.09 2.30 1v7yB1 GLU 1005 HB3 0.09 0.08 0.14 -0.04 1.99 2.26 1v7yB1 GLU 1005 HG2 0.09 0.00 -0.19 -0.04 2.34 2.21 1v7yB1 GLU 1005 HG3 0.12 0.01 0.05 -0.04 2.34 2.49 1v7yB1 SER 1006 H 0.03 0.51 -0.14 -0.55 8.46 8.32 1v7yB1 SER 1006 HA 0.04 -0.02 0.45 -0.75 4.49 4.20 1v7yB1 SER 1006 HB2 0.01 -0.07 0.10 -0.04 3.95 3.95 1v7yB1 SER 1006 HB3 -0.02 0.17 0.19 -0.04 3.93 4.23 1v7yB1 LEU 1007 H -0.09 0.75 0.07 -0.55 8.37 8.56 1v7yB1 LEU 1007 HA -0.05 0.00 0.44 -0.75 4.35 3.98 1v7yB1 LEU 1007 HB2 -0.19 0.07 0.13 -0.04 1.64 1.60 1v7yB1 LEU 1007 HB3 -0.35 0.00 0.22 -0.04 1.64 1.48 1v7yB1 LEU 1007 HG -0.19 -0.02 -0.38 -0.04 1.64 1.01 1v7yB1 LEU 1007 HD13 -0.06 -0.01 0.03 -0.04 0.93 0.85 1v7yB1 LEU 1007 HD23 -0.27 -0.00 -0.10 -0.04 0.89 0.47 1v7yB1 PHE 1008 H -0.11 0.82 0.05 -0.55 8.34 8.55 1v7yB1 PHE 1008 HA 0.04 0.00 0.42 -0.75 4.62 4.34 1v7yB1 PHE 1008 HB2 0.08 0.12 0.16 -0.04 3.15 3.47 1v7yB1 PHE 1008 HB3 0.05 -0.04 0.05 -0.04 3.06 3.08 1v7yB1 PHE 1008 HD2 0.09 -0.01 -0.04 -0.04 7.28 7.27 1v7yB1 PHE 1008 HE2 0.09 0.15 -0.09 -0.04 7.38 7.49 1v7yB1 PHE 1008 HZ 0.08 -0.07 -0.20 -0.04 7.32 7.09 1v7yB1 ALA 1009 H 0.14 0.44 -0.35 -0.55 8.40 8.08 1v7yB1 ALA 1009 HA 0.09 0.01 0.48 -0.75 4.34 4.17 1v7yB1 ALA 1009 HB3 0.06 0.03 0.13 -0.04 1.41 1.59 1v7yB1 GLN 1010 H 0.05 0.48 -0.06 -0.55 8.47 8.40 1v7yB1 GLN 1010 HA 0.03 -0.01 0.49 -0.75 4.36 4.12 1v7yB1 GLN 1010 HB2 0.02 0.15 0.13 -0.04 2.15 2.40 1v7yB1 GLN 1010 HB3 0.02 -0.08 0.08 -0.04 2.02 2.00 1v7yB1 GLN 1010 HG2 0.02 -0.11 0.05 -0.04 2.40 2.32 1v7yB1 GLN 1010 HG3 0.02 0.48 0.22 -0.04 2.39 3.07 1v7yB1 GLN 1010 HE21 -0.01 -0.04 -0.04 -0.04 6.97 6.83 1v7yB1 GLN 1010 HE22 -0.00 0.00 -0.07 -0.04 7.69 7.58 1v7yB1 LEU 1011 H 0.09 0.41 -0.18 -0.55 8.37 8.14 1v7yB1 LEU 1011 HA 0.05 0.04 0.48 -0.75 4.35 4.17 1v7yB1 LEU 1011 HB2 0.16 0.05 0.15 -0.04 1.64 1.96 1v7yB1 LEU 1011 HB3 0.10 0.28 -0.08 -0.04 1.64 1.89 1v7yB1 LEU 1011 HG 0.07 0.15 -0.05 -0.04 1.64 1.78 1v7yB1 LEU 1011 HD13 0.20 -0.04 -0.19 -0.04 0.93 0.86 1v7yB1 LEU 1011 HD23 0.05 0.00 -0.17 -0.04 0.89 0.73 1v7yB1 LYS 1012 H 0.09 0.58 -0.00 -0.55 8.42 8.53 1v7yB1 LYS 1012 HA 0.03 0.05 0.44 -0.75 4.32 4.09 1v7yB1 LYS 1012 HB2 0.05 0.07 0.17 -0.04 1.87 2.12 1v7yB1 LYS 1012 HB3 0.03 -0.08 0.10 -0.04 1.79 1.80 1v7yB1 LYS 1012 HG2 0.02 -0.02 0.09 -0.04 1.46 1.50 1v7yB1 LYS 1012 HG3 0.08 0.25 0.21 -0.04 1.46 1.95 1v7yB1 LYS 1012 HD2 0.05 -0.02 -0.03 -0.04 1.69 1.65 1v7yB1 LYS 1012 HD3 0.01 -0.07 0.03 -0.04 1.68 1.61 1v7yB1 LYS 1012 HE2 -0.08 0.01 0.03 -0.04 2.99 2.92 1v7yB1 LYS 1012 HE3 -0.05 0.00 0.03 -0.04 2.99 2.93 1v7yB1 GLU 1013 H 0.04 0.32 -0.49 -0.55 8.60 7.92 1v7yB1 GLU 1013 HA 0.02 0.02 0.54 -0.75 4.29 4.11 1v7yB1 GLU 1013 HB2 0.03 0.04 0.13 -0.04 2.09 2.24 1v7yB1 GLU 1013 HB3 0.02 0.15 0.10 -0.04 1.99 2.23 1v7yB1 GLU 1013 HG2 0.01 -0.00 -0.07 -0.04 2.34 2.24 1v7yB1 GLU 1013 HG3 0.02 -0.06 0.09 -0.04 2.34 2.34 1v7yB1 ARG 1014 H 0.03 0.37 -0.28 -0.55 8.46 8.03 1v7yB1 ARG 1014 HA 0.01 0.10 0.82 -0.75 4.34 4.52 1v7yB1 ARG 1014 HB2 0.02 0.07 0.13 -0.04 1.90 2.08 1v7yB1 ARG 1014 HB3 0.01 -0.09 0.17 -0.04 1.80 1.85 1v7yB1 ARG 1014 HG2 0.01 -0.07 -0.08 -0.04 1.67 1.50 1v7yB1 ARG 1014 HG3 0.02 0.29 0.08 -0.04 1.67 2.02 1v7yB1 ARG 1014 HD2 0.01 -0.07 0.02 -0.04 3.22 3.14 1v7yB1 ARG 1014 HD3 0.01 -0.07 0.00 -0.04 3.22 3.13 1v7yB1 LYS 1015 H 0.02 0.23 -0.54 -0.55 8.42 7.57 1v7yB1 LYS 1015 HA 0.01 0.02 0.31 -0.75 4.32 3.91 1v7yB1 LYS 1015 HB2 0.01 0.05 -0.25 -0.04 1.87 1.64 1v7yB1 LYS 1015 HB3 0.01 -0.06 0.23 -0.04 1.79 1.93 1v7yB1 LYS 1015 HG2 0.00 -0.04 0.05 -0.04 1.46 1.43 1v7yB1 LYS 1015 HG3 0.01 0.11 0.01 -0.04 1.46 1.55 1v7yB1 LYS 1015 HD2 0.00 -0.06 0.01 -0.04 1.69 1.59 1v7yB1 LYS 1015 HD3 0.00 0.01 -0.06 -0.04 1.68 1.60 1v7yB1 LYS 1015 HE2 0.00 -0.08 0.01 -0.04 2.99 2.88 1v7yB1 LYS 1015 HE3 0.00 0.12 0.03 -0.04 2.99 3.09 1v7yB1 GLU 1016 H 0.03 0.51 -0.14 -0.55 8.60 8.45 1v7yB1 GLU 1016 HA 0.02 0.18 0.95 -0.75 4.29 4.69 1v7yB1 GLU 1016 HB2 0.02 0.06 -0.12 -0.04 2.09 2.01 1v7yB1 GLU 1016 HB3 0.04 -0.08 0.00 -0.04 1.99 1.90 1v7yB1 GLU 1016 HG2 0.03 0.21 0.00 -0.04 2.34 2.55 1v7yB1 GLU 1016 HG3 0.02 -0.08 -0.00 -0.04 2.34 2.23 1v7yB1 GLY 1017 H 0.03 0.59 0.25 -0.55 8.43 8.75 1v7yB1 GLY 1017 HA2 0.06 0.24 0.89 -0.51 4.01 4.69 1v7yB1 GLY 1017 HA3 0.04 -0.04 0.28 -0.51 4.01 3.79 1v7yB1 ALA 1018 H 0.11 0.60 0.44 -0.55 8.40 9.00 1v7yB1 ALA 1018 HA 0.09 0.20 0.92 -0.75 4.34 4.80 1v7yB1 ALA 1018 HB3 0.13 -0.01 -0.02 -0.04 1.41 1.47 1v7yB1 PHE 1019 H 0.15 0.24 0.21 -0.55 8.34 8.39 1v7yB1 PHE 1019 HA -0.00 0.14 0.96 -0.75 4.62 4.96 1v7yB1 PHE 1019 HB2 -0.02 0.09 -0.10 -0.04 3.15 3.08 1v7yB1 PHE 1019 HB3 -0.02 0.08 0.15 -0.04 3.06 3.23 1v7yB1 PHE 1019 HD2 -0.01 0.04 -0.17 -0.04 7.28 7.11 1v7yB1 PHE 1019 HE2 0.04 -0.05 -0.17 -0.04 7.38 7.16 1v7yB1 PHE 1019 HZ 0.15 -0.07 -0.13 -0.04 7.32 7.23 1v7yB1 VAL 1020 H -0.33 0.89 0.25 -0.55 8.24 8.49 1v7yB1 VAL 1020 HA -0.34 0.32 1.09 -0.75 4.13 4.45 1v7yB1 VAL 1020 HB -0.17 -0.05 -0.02 -0.04 2.12 1.83 1v7yB1 VAL 1020 HG13 -0.11 0.02 -0.41 -0.04 0.97 0.42 1v7yB1 VAL 1020 HG23 -0.11 -0.02 -0.34 -0.04 0.95 0.44 1v7yB1 PRO 1021 HA -0.19 0.02 0.67 -0.51 4.44 4.44 1v7yB1 PRO 1021 HB2 -0.01 0.01 0.02 -0.04 2.28 2.26 1v7yB1 PRO 1021 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 1v7yB1 PRO 1021 HG2 -0.12 -0.02 0.05 -0.04 2.03 1.90 1v7yB1 PRO 1021 HG3 -0.05 0.03 0.03 -0.04 2.03 2.00 1v7yB1 PRO 1021 HD2 -0.28 0.42 0.39 -0.04 3.68 4.17 1v7yB1 PRO 1021 HD3 -0.70 0.12 0.03 -0.04 3.65 3.06 1v7yB1 PHE 1022 H 0.14 0.53 0.45 -0.55 8.34 8.90 1v7yB1 PHE 1022 HA -0.04 0.44 1.07 -0.75 4.62 5.33 1v7yB1 PHE 1022 HB2 -0.00 0.04 -0.09 -0.04 3.15 3.05 1v7yB1 PHE 1022 HB3 -0.00 -0.11 -0.06 -0.04 3.06 2.85 1v7yB1 PHE 1022 HD2 -0.00 -0.01 -0.30 -0.04 7.28 6.93 1v7yB1 PHE 1022 HE2 -0.02 -0.03 -0.20 -0.04 7.38 7.09 1v7yB1 PHE 1022 HZ -0.02 -0.04 -0.13 -0.04 7.32 7.09 1v7yB1 VAL 1023 H -0.85 0.54 0.33 -0.55 8.24 7.71 1v7yB1 VAL 1023 HA -0.26 0.04 0.70 -0.75 4.13 3.86 1v7yB1 VAL 1023 HB -0.12 0.07 -0.30 -0.04 2.12 1.73 1v7yB1 VAL 1023 HG13 -0.20 0.01 -0.16 -0.04 0.97 0.58 1v7yB1 VAL 1023 HG23 -0.10 0.03 0.02 -0.04 0.95 0.86 1v7yB1 THR 1024 H -0.19 0.14 0.14 -0.55 8.28 7.82 1v7yB1 THR 1024 HA -0.28 0.05 0.77 -0.75 4.39 4.18 1v7yB1 THR 1024 HB -0.03 -0.04 0.07 -0.04 4.32 4.28 1v7yB1 THR 1024 HG23 -0.02 0.04 -0.23 -0.04 1.22 0.97 1v7yB1 LEU 1025 H -0.15 0.67 0.34 -0.55 8.37 8.69 1v7yB1 LEU 1025 HA -0.11 0.01 0.43 -0.75 4.35 3.93 1v7yB1 LEU 1025 HB2 -0.13 0.14 0.18 -0.04 1.64 1.79 1v7yB1 LEU 1025 HB3 -0.09 -0.04 0.16 -0.04 1.64 1.62 1v7yB1 LEU 1025 HG -0.08 -0.06 -0.04 -0.04 1.64 1.41 1v7yB1 LEU 1025 HD13 -0.10 0.00 -0.06 -0.04 0.93 0.74 1v7yB1 LEU 1025 HD23 -0.14 0.01 -0.01 -0.04 0.89 0.71 1v7yB1 GLY 1026 H -0.06 0.14 0.16 -0.55 8.43 8.12 1v7yB1 GLY 1026 HA2 -0.03 -0.07 0.02 -0.51 4.01 3.42 1v7yB1 GLY 1026 HA3 -0.03 0.16 0.64 -0.51 4.01 4.27 1v7yB1 ASP 1027 H -0.05 0.33 0.00 -0.55 8.40 8.14 1v7yB1 ASP 1027 HA -0.01 0.20 0.82 -0.75 4.63 4.89 1v7yB1 ASP 1027 HB2 -0.04 0.09 0.12 -0.04 2.71 2.84 1v7yB1 ASP 1027 HB3 -0.01 0.01 -0.04 -0.04 2.70 2.62 1v7yB1 PRO 1028 HA -0.00 0.08 0.41 -0.51 4.44 4.41 1v7yB1 PRO 1028 HB2 0.00 0.00 0.01 -0.04 2.28 2.25 1v7yB1 PRO 1028 HB3 0.00 0.05 0.11 -0.04 2.02 2.14 1v7yB1 PRO 1028 HG2 0.01 0.12 0.10 -0.04 2.03 2.21 1v7yB1 PRO 1028 HG3 0.00 0.05 -0.02 -0.04 2.03 2.03 1v7yB1 PRO 1028 HD2 -0.01 -0.07 0.24 -0.04 3.68 3.80 1v7yB1 PRO 1028 HD3 -0.01 0.24 0.34 -0.04 3.65 4.17 1v7yB1 GLY 1029 H -0.01 0.16 -0.14 -0.55 8.43 7.90 1v7yB1 GLY 1029 HA2 -0.01 0.32 0.64 -0.51 4.01 4.45 1v7yB1 GLY 1029 HA3 -0.01 -0.00 0.29 -0.51 4.01 3.78 1v7yB1 ILE 1030 H -0.01 0.23 0.13 -0.55 8.25 8.06 1v7yB1 ILE 1030 HA -0.02 0.06 0.35 -0.75 4.18 3.82 1v7yB1 ILE 1030 HB -0.00 -0.04 0.14 -0.04 1.89 1.95 1v7yB1 ILE 1030 HG12 -0.01 0.03 0.02 -0.04 1.49 1.50 1v7yB1 ILE 1030 HG13 -0.01 -0.03 0.13 -0.04 1.21 1.26 1v7yB1 ILE 1030 HG23 -0.01 0.03 -0.10 -0.04 0.93 0.81 1v7yB1 ILE 1030 HD13 0.00 0.02 0.03 -0.04 0.88 0.89 1v7yB1 GLU 1031 H -0.01 0.09 -0.08 -0.55 8.60 8.06 1v7yB1 GLU 1031 HA -0.00 0.14 0.38 -0.75 4.29 4.05 1v7yB1 GLU 1031 HB2 -0.00 0.03 0.09 -0.04 2.09 2.17 1v7yB1 GLU 1031 HB3 -0.00 -0.08 0.05 -0.04 1.99 1.92 1v7yB1 GLU 1031 HG2 -0.00 0.02 -0.06 -0.04 2.34 2.26 1v7yB1 GLU 1031 HG3 -0.00 0.02 -0.18 -0.04 2.34 2.14 1v7yB1 GLN 1032 H -0.01 0.02 -0.27 -0.55 8.47 7.67 1v7yB1 GLN 1032 HA -0.01 0.09 0.44 -0.75 4.36 4.13 1v7yB1 GLN 1032 HB2 -0.01 -0.13 0.08 -0.04 2.15 2.05 1v7yB1 GLN 1032 HB3 -0.01 0.14 -0.06 -0.04 2.02 2.05 1v7yB1 GLN 1032 HG2 0.00 -0.02 0.04 -0.04 2.40 2.37 1v7yB1 GLN 1032 HG3 0.00 0.09 0.06 -0.04 2.39 2.51 1v7yB1 GLN 1032 HE21 -0.00 0.04 0.03 -0.04 6.97 7.00 1v7yB1 GLN 1032 HE22 -0.00 0.07 0.03 -0.04 7.69 7.75 1v7yB1 SER 1033 H -0.02 0.66 -0.16 -0.55 8.46 8.40 1v7yB1 SER 1033 HA -0.04 0.15 0.40 -0.75 4.49 4.25 1v7yB1 SER 1033 HB2 -0.03 0.01 -0.04 -0.04 3.95 3.84 1v7yB1 SER 1033 HB3 -0.03 0.12 0.09 -0.04 3.93 4.06 1v7yB1 LEU 1034 H -0.02 0.42 -0.31 -0.55 8.37 7.92 1v7yB1 LEU 1034 HA -0.02 0.07 0.46 -0.75 4.35 4.11 1v7yB1 LEU 1034 HB2 -0.00 0.13 0.11 -0.04 1.64 1.84 1v7yB1 LEU 1034 HB3 0.01 0.01 0.02 -0.04 1.64 1.63 1v7yB1 LEU 1034 HG -0.01 0.14 0.08 -0.04 1.64 1.80 1v7yB1 LEU 1034 HD13 -0.00 -0.02 -0.03 -0.04 0.93 0.84 1v7yB1 LEU 1034 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1v7yB1 LYS 1035 H -0.01 0.31 -0.17 -0.55 8.42 8.00 1v7yB1 LYS 1035 HA 0.01 0.07 0.54 -0.75 4.32 4.18 1v7yB1 LYS 1035 HB2 -0.00 0.06 0.19 -0.04 1.87 2.08 1v7yB1 LYS 1035 HB3 -0.00 -0.04 0.02 -0.04 1.79 1.73 1v7yB1 LYS 1035 HG2 0.00 -0.00 0.03 -0.04 1.46 1.45 1v7yB1 LYS 1035 HG3 0.00 0.06 0.04 -0.04 1.46 1.52 1v7yB1 LYS 1035 HD2 -0.00 -0.05 -0.05 -0.04 1.69 1.55 1v7yB1 LYS 1035 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 1v7yB1 LYS 1035 HE2 0.00 0.02 -0.02 -0.04 2.99 2.95 1v7yB1 LYS 1035 HE3 0.00 0.02 -0.03 -0.04 2.99 2.94 1v7yB1 ILE 1036 H -0.02 0.59 -0.04 -0.55 8.25 8.24 1v7yB1 ILE 1036 HA -0.01 0.03 0.50 -0.75 4.18 3.95 1v7yB1 ILE 1036 HB -0.02 -0.03 0.06 -0.04 1.89 1.85 1v7yB1 ILE 1036 HG12 -0.04 0.01 0.06 -0.04 1.49 1.47 1v7yB1 ILE 1036 HG13 -0.04 0.16 0.10 -0.04 1.21 1.39 1v7yB1 ILE 1036 HG23 -0.02 0.10 -0.01 -0.04 0.93 0.96 1v7yB1 ILE 1036 HD13 -0.05 -0.03 -0.27 -0.04 0.88 0.49 1v7yB1 ILE 1037 H -0.03 0.44 -0.24 -0.55 8.25 7.87 1v7yB1 ILE 1037 HA -0.06 0.02 0.40 -0.75 4.18 3.78 1v7yB1 ILE 1037 HB -0.04 0.09 0.14 -0.04 1.89 2.04 1v7yB1 ILE 1037 HG12 -0.09 -0.03 -0.05 -0.04 1.49 1.28 1v7yB1 ILE 1037 HG13 -0.07 -0.02 0.01 -0.04 1.21 1.09 1v7yB1 ILE 1037 HG23 -0.10 0.01 -0.17 -0.04 0.93 0.62 1v7yB1 ILE 1037 HD13 -0.08 -0.02 -0.10 -0.04 0.88 0.64 1v7yB1 ASP 1038 H -0.01 0.44 -0.15 -0.55 8.40 8.14 1v7yB1 ASP 1038 HA -0.03 0.09 0.42 -0.75 4.63 4.36 1v7yB1 ASP 1038 HB2 0.03 0.02 0.17 -0.04 2.71 2.89 1v7yB1 ASP 1038 HB3 0.06 -0.02 -0.02 -0.04 2.70 2.68 1v7yB1 THR 1039 H -0.01 0.43 -0.28 -0.55 8.28 7.88 1v7yB1 THR 1039 HA 0.01 0.02 0.41 -0.75 4.39 4.07 1v7yB1 THR 1039 HB -0.00 0.13 0.20 -0.04 4.32 4.60 1v7yB1 THR 1039 HG23 0.01 -0.00 -0.07 -0.04 1.22 1.11 1v7yB1 LEU 1040 H -0.01 0.65 -0.06 -0.55 8.37 8.40 1v7yB1 LEU 1040 HA 0.05 -0.03 0.35 -0.75 4.35 3.97 1v7yB1 LEU 1040 HB2 -0.03 0.11 0.18 -0.04 1.64 1.86 1v7yB1 LEU 1040 HB3 -0.02 0.03 -0.05 -0.04 1.64 1.56 1v7yB1 LEU 1040 HG 0.07 -0.04 0.00 -0.04 1.64 1.63 1v7yB1 LEU 1040 HD13 0.04 0.03 -0.02 -0.04 0.93 0.94 1v7yB1 LEU 1040 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.65 1v7yB1 ILE 1041 H -0.07 0.46 -0.34 -0.55 8.25 7.75 1v7yB1 ILE 1041 HA -0.06 0.07 0.47 -0.75 4.18 3.91 1v7yB1 ILE 1041 HB -0.20 0.10 0.15 -0.04 1.89 1.90 1v7yB1 ILE 1041 HG12 -0.20 0.02 -0.08 -0.04 1.49 1.19 1v7yB1 ILE 1041 HG13 -0.20 0.06 0.03 -0.04 1.21 1.06 1v7yB1 ILE 1041 HG23 -0.13 0.01 -0.13 -0.04 0.93 0.64 1v7yB1 ILE 1041 HD13 -0.73 -0.03 -0.09 -0.04 0.88 -0.00 1v7yB1 GLU 1042 H -0.02 0.60 0.01 -0.55 8.60 8.64 1v7yB1 GLU 1042 HA 0.01 0.01 0.39 -0.75 4.29 3.95 1v7yB1 GLU 1042 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 1v7yB1 GLU 1042 HB3 0.01 0.01 0.20 -0.04 1.99 2.17 1v7yB1 GLU 1042 HG2 0.01 0.02 -0.11 -0.04 2.34 2.22 1v7yB1 GLU 1042 HG3 0.02 -0.03 0.04 -0.04 2.34 2.33 1v7yB1 ALA 1043 H 0.02 0.61 -0.32 -0.55 8.40 8.17 1v7yB1 ALA 1043 HA 0.01 -0.01 0.45 -0.75 4.34 4.03 1v7yB1 ALA 1043 HB3 0.03 -0.04 0.06 -0.04 1.41 1.42 1v7yB1 GLY 1044 H 0.04 0.22 -0.12 -0.55 8.43 8.02 1v7yB1 GLY 1044 HA2 0.03 0.05 0.20 -0.51 4.01 3.78 1v7yB1 GLY 1044 HA3 0.03 0.06 0.72 -0.51 4.01 4.32 1v7yB1 ALA 1045 H 0.07 0.33 0.27 -0.55 8.40 8.53 1v7yB1 ALA 1045 HA 0.15 0.07 0.56 -0.75 4.34 4.36 1v7yB1 ALA 1045 HB3 -0.02 -0.01 -0.02 -0.04 1.41 1.32 1v7yB1 ASP 1046 H 0.00 0.33 0.38 -0.55 8.40 8.57 1v7yB1 ASP 1046 HA -0.03 0.17 0.69 -0.75 4.63 4.71 1v7yB1 ASP 1046 HB2 -0.02 -0.09 0.05 -0.04 2.71 2.61 1v7yB1 ASP 1046 HB3 -0.03 -0.00 0.08 -0.04 2.70 2.71 1v7yB1 ALA 1047 H -0.11 0.26 0.10 -0.55 8.40 8.10 1v7yB1 ALA 1047 HA -0.14 0.19 0.57 -0.75 4.34 4.21 1v7yB1 ALA 1047 HB3 -0.14 0.00 -0.12 -0.04 1.41 1.11 1v7yB1 LEU 1048 H -0.11 0.74 0.27 -0.55 8.37 8.72 1v7yB1 LEU 1048 HA -0.10 0.22 0.94 -0.75 4.35 4.65 1v7yB1 LEU 1048 HB2 -0.09 0.04 0.08 -0.04 1.64 1.63 1v7yB1 LEU 1048 HB3 -0.09 -0.09 -0.10 -0.04 1.64 1.32 1v7yB1 LEU 1048 HG -0.12 -0.06 -0.10 -0.04 1.64 1.32 1v7yB1 LEU 1048 HD13 -0.11 0.03 -0.13 -0.04 0.93 0.68 1v7yB1 LEU 1048 HD23 -0.14 0.01 -0.24 -0.04 0.89 0.48 1v7yB1 GLU 1049 H -0.06 0.45 0.12 -0.55 8.60 8.57 1v7yB1 GLU 1049 HA 0.07 0.17 0.76 -0.75 4.29 4.54 1v7yB1 GLU 1049 HB2 0.05 0.06 -0.20 -0.04 2.09 1.95 1v7yB1 GLU 1049 HB3 0.18 -0.04 0.13 -0.04 1.99 2.22 1v7yB1 GLU 1049 HG2 0.25 -0.06 -0.18 -0.04 2.34 2.31 1v7yB1 GLU 1049 HG3 0.34 -0.08 -0.24 -0.04 2.34 2.33 1v7yB1 LEU 1050 H -0.02 0.75 0.24 -0.55 8.37 8.79 1v7yB1 LEU 1050 HA -0.32 0.22 1.08 -0.75 4.35 4.58 1v7yB1 LEU 1050 HB2 -0.10 -0.00 0.05 -0.04 1.64 1.55 1v7yB1 LEU 1050 HB3 -0.16 -0.03 -0.00 -0.04 1.64 1.41 1v7yB1 LEU 1050 HG -0.09 0.00 -0.21 -0.04 1.64 1.30 1v7yB1 LEU 1050 HD13 -0.09 0.01 -0.10 -0.04 0.93 0.70 1v7yB1 LEU 1050 HD23 -0.16 0.02 -0.16 -0.04 0.89 0.55 1v7yB1 GLY 1051 H -0.49 0.56 0.39 -0.55 8.43 8.34 1v7yB1 GLY 1051 HA2 0.05 0.23 0.87 -0.51 4.01 4.65 1v7yB1 GLY 1051 HA3 -0.02 -0.05 0.32 -0.51 4.01 3.75 1v7yB1 ILE 1052 H -0.03 0.54 0.34 -0.55 8.25 8.55 1v7yB1 ILE 1052 HA -0.07 0.23 1.11 -0.75 4.18 4.70 1v7yB1 ILE 1052 HB -0.09 -0.10 0.15 -0.04 1.89 1.82 1v7yB1 ILE 1052 HG12 -0.10 -0.01 -0.12 -0.04 1.49 1.22 1v7yB1 ILE 1052 HG13 -0.14 -0.01 -0.08 -0.04 1.21 0.94 1v7yB1 ILE 1052 HG23 -0.11 0.05 -0.06 -0.04 0.93 0.76 1v7yB1 ILE 1052 HD13 -0.20 0.03 -0.16 -0.04 0.88 0.51 1v7yB1 PRO 1053 HA 0.10 0.06 0.58 -0.51 4.44 4.66 1v7yB1 PRO 1053 HB2 0.05 0.01 0.08 -0.04 2.28 2.39 1v7yB1 PRO 1053 HB3 0.04 -0.00 0.07 -0.04 2.02 2.08 1v7yB1 PRO 1053 HG2 0.03 0.04 0.04 -0.04 2.03 2.10 1v7yB1 PRO 1053 HG3 0.00 0.13 0.08 -0.04 2.03 2.20 1v7yB1 PRO 1053 HD2 -0.04 0.07 0.32 -0.04 3.68 3.99 1v7yB1 PRO 1053 HD3 -0.02 0.18 0.15 -0.04 3.65 3.91 1v7yB1 PHE 1054 H 0.15 0.28 0.23 -0.55 8.34 8.45 1v7yB1 PHE 1054 HA 0.01 0.13 0.45 -0.75 4.62 4.46 1v7yB1 PHE 1054 HB2 0.02 0.20 -0.37 -0.04 3.15 2.96 1v7yB1 PHE 1054 HB3 0.03 -0.05 -0.11 -0.04 3.06 2.89 1v7yB1 PHE 1054 HD2 0.03 0.04 0.04 -0.04 7.28 7.35 1v7yB1 PHE 1054 HE2 0.04 0.02 -0.05 -0.04 7.38 7.35 1v7yB1 PHE 1054 HZ 0.04 0.06 0.01 -0.04 7.32 7.39 1v7yB1 SER 1055 H -1.39 0.10 0.06 -0.55 8.46 6.69 1v7yB1 SER 1055 HA -0.24 0.15 0.42 -0.75 4.49 4.07 1v7yB1 SER 1055 HB2 -0.23 0.03 0.01 -0.04 3.95 3.71 1v7yB1 SER 1055 HB3 -0.17 0.02 0.07 -0.04 3.93 3.81 1v7yB1 ALA 1067 HA 0.03 -0.01 0.18 -0.75 4.34 3.78 1v7yB1 ALA 1067 HB3 0.04 -0.02 0.04 -0.04 1.41 1.43 1v7yB1 THR 1068 H 0.07 0.16 0.01 -0.55 8.28 7.98 1v7yB1 THR 1068 HA 0.03 0.22 0.93 -0.75 4.39 4.81 1v7yB1 THR 1068 HB 0.01 -0.01 0.06 -0.04 4.32 4.34 1v7yB1 THR 1068 HG23 0.04 0.01 -0.14 -0.04 1.22 1.09 1v7yB1 LEU 1069 H 0.12 0.19 0.23 -0.55 8.37 8.36 1v7yB1 LEU 1069 HA 0.04 0.23 0.82 -0.75 4.35 4.68 1v7yB1 LEU 1069 HB2 0.08 -0.10 0.02 -0.04 1.64 1.59 1v7yB1 LEU 1069 HB3 0.04 -0.05 0.10 -0.04 1.64 1.69 1v7yB1 LEU 1069 HG 0.01 0.17 -0.08 -0.04 1.64 1.70 1v7yB1 LEU 1069 HD13 -0.02 -0.07 -0.25 -0.04 0.93 0.54 1v7yB1 LEU 1069 HD23 -0.00 0.00 -0.02 -0.04 0.89 0.83 1v7yB1 ARG 1070 H 0.04 0.17 0.13 -0.55 8.46 8.24 1v7yB1 ARG 1070 HA 0.03 0.19 0.38 -0.75 4.34 4.19 1v7yB1 ARG 1070 HB2 0.03 -0.06 0.13 -0.04 1.90 1.95 1v7yB1 ARG 1070 HB3 0.02 0.06 0.04 -0.04 1.80 1.88 1v7yB1 ARG 1070 HG2 0.02 0.06 0.03 -0.04 1.67 1.74 1v7yB1 ARG 1070 HG3 0.02 -0.04 0.09 -0.04 1.67 1.70 1v7yB1 ARG 1070 HD2 0.01 0.02 0.02 -0.04 3.22 3.23 1v7yB1 ARG 1070 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 1v7yB1 ALA 1071 H 0.05 -0.01 -0.14 -0.55 8.40 7.76 1v7yB1 ALA 1071 HA 0.04 0.09 0.31 -0.75 4.34 4.04 1v7yB1 ALA 1071 HB3 0.06 -0.01 0.03 -0.04 1.41 1.45 1v7yB1 PHE 1072 H 0.18 0.05 -0.59 -0.55 8.34 7.43 1v7yB1 PHE 1072 HA 0.00 0.17 0.72 -0.75 4.62 4.75 1v7yB1 PHE 1072 HB2 -0.00 -0.03 0.00 -0.04 3.15 3.08 1v7yB1 PHE 1072 HB3 -0.00 -0.12 0.22 -0.04 3.06 3.12 1v7yB1 PHE 1072 HD2 -0.00 -0.04 0.03 -0.04 7.28 7.23 1v7yB1 PHE 1072 HE2 -0.01 0.01 -0.02 -0.04 7.38 7.32 1v7yB1 PHE 1072 HZ -0.01 0.01 -0.02 -0.04 7.32 7.25 1v7yB1 ALA 1073 H 0.40 -0.03 0.10 -0.55 8.40 8.32 1v7yB1 ALA 1073 HA -0.26 -0.06 0.27 -0.75 4.34 3.53 1v7yB1 ALA 1073 HB3 0.08 -0.00 0.14 -0.04 1.41 1.59 1v7yB1 ALA 1074 H -0.20 0.05 0.09 -0.55 8.40 7.80 1v7yB1 ALA 1074 HA -0.04 0.05 0.48 -0.75 4.34 4.08 1v7yB1 ALA 1074 HB3 -0.05 0.03 0.10 -0.04 1.41 1.45 1v7yB1 GLY 1075 H -0.04 0.13 0.13 -0.55 8.43 8.09 1v7yB1 GLY 1075 HA2 -0.03 0.01 0.36 -0.51 4.01 3.85 1v7yB1 GLY 1075 HA3 -0.04 0.14 0.61 -0.51 4.01 4.22 1v7yB1 VAL 1076 H 0.01 0.16 0.12 -0.55 8.24 7.97 1v7yB1 VAL 1076 HA 0.01 0.10 0.79 -0.75 4.13 4.28 1v7yB1 VAL 1076 HB 0.01 0.07 0.08 -0.04 2.12 2.23 1v7yB1 VAL 1076 HG13 0.00 0.04 -0.11 -0.04 0.97 0.86 1v7yB1 VAL 1076 HG23 -0.01 -0.01 -0.01 -0.04 0.95 0.89 1v7yB1 THR 1077 H 0.04 0.09 0.15 -0.55 8.28 8.01 1v7yB1 THR 1077 HA 0.12 0.20 0.56 -0.75 4.39 4.52 1v7yB1 THR 1077 HB 0.09 0.03 0.13 -0.04 4.32 4.53 1v7yB1 THR 1077 HG23 0.04 0.05 0.01 -0.04 1.22 1.28 1v7yB1 PRO 1078 HA 0.04 0.13 0.42 -0.51 4.44 4.52 1v7yB1 PRO 1078 HB2 0.15 0.02 0.07 -0.04 2.28 2.48 1v7yB1 PRO 1078 HB3 0.11 0.09 0.08 -0.04 2.02 2.26 1v7yB1 PRO 1078 HG2 0.22 0.07 0.10 -0.04 2.03 2.38 1v7yB1 PRO 1078 HG3 0.03 0.09 0.12 -0.04 2.03 2.23 1v7yB1 PRO 1078 HD2 0.19 0.09 0.22 -0.04 3.68 4.14 1v7yB1 PRO 1078 HD3 0.29 0.16 0.25 -0.04 3.65 4.32 1v7yB1 ALA 1079 H 0.12 0.13 -0.16 -0.55 8.40 7.93 1v7yB1 ALA 1079 HA 0.16 0.14 0.38 -0.75 4.34 4.27 1v7yB1 ALA 1079 HB3 0.06 0.02 0.04 -0.04 1.41 1.49 1v7yB1 GLN 1080 H 0.06 0.10 -0.26 -0.55 8.47 7.82 1v7yB1 GLN 1080 HA 0.03 0.09 0.41 -0.75 4.36 4.14 1v7yB1 GLN 1080 HB2 0.03 0.06 0.12 -0.04 2.15 2.31 1v7yB1 GLN 1080 HB3 0.01 0.00 -0.02 -0.04 2.02 1.97 1v7yB1 GLN 1080 HG2 0.02 0.04 0.04 -0.04 2.40 2.46 1v7yB1 GLN 1080 HG3 0.03 -0.03 0.03 -0.04 2.39 2.38 1v7yB1 GLN 1080 HE21 0.01 0.04 0.04 -0.04 6.97 7.01 1v7yB1 GLN 1080 HE22 0.01 0.03 0.02 -0.04 7.69 7.71 1v7yB1 CYS 1081 H 0.01 0.38 -0.29 -0.55 8.50 8.06 1v7yB1 CYS 1081 HA -0.07 0.01 0.41 -0.75 4.58 4.17 1v7yB1 CYS 1081 HB2 -0.20 0.16 0.14 -0.04 2.97 3.02 1v7yB1 CYS 1081 HB3 -0.25 -0.01 -0.01 -0.04 2.97 2.65 1v7yB1 PHE 1082 H 0.10 0.48 -0.09 -0.55 8.34 8.27 1v7yB1 PHE 1082 HA -0.06 0.06 0.43 -0.75 4.62 4.30 1v7yB1 PHE 1082 HB2 -0.04 0.06 0.12 -0.04 3.15 3.25 1v7yB1 PHE 1082 HB3 -0.06 0.04 0.01 -0.04 3.06 3.01 1v7yB1 PHE 1082 HD2 -0.08 0.08 -0.05 -0.04 7.28 7.18 1v7yB1 PHE 1082 HE2 -0.18 -0.03 -0.13 -0.04 7.38 7.00 1v7yB1 PHE 1082 HZ -0.66 -0.00 -0.08 -0.04 7.32 6.53 1v7yB1 GLU 1083 H 0.08 0.27 -0.44 -0.55 8.60 7.96 1v7yB1 GLU 1083 HA 0.05 0.10 0.51 -0.75 4.29 4.19 1v7yB1 GLU 1083 HB2 0.04 0.03 0.08 -0.04 2.09 2.21 1v7yB1 GLU 1083 HB3 0.03 0.09 0.17 -0.04 1.99 2.23 1v7yB1 GLU 1083 HG2 0.01 -0.01 -0.19 -0.04 2.34 2.11 1v7yB1 GLU 1083 HG3 0.02 0.01 0.04 -0.04 2.34 2.37 1v7yB1 MET 1084 H -0.00 0.45 -0.12 -0.55 8.47 8.25 1v7yB1 MET 1084 HA -0.01 0.01 0.44 -0.75 4.52 4.21 1v7yB1 MET 1084 HB2 -0.05 0.14 0.18 -0.04 2.15 2.37 1v7yB1 MET 1084 HB3 -0.03 -0.04 -0.01 -0.04 2.03 1.91 1v7yB1 MET 1084 HG2 -0.01 -0.05 0.02 -0.04 2.63 2.54 1v7yB1 MET 1084 HG3 -0.01 0.29 0.11 -0.04 2.56 2.90 1v7yB1 MET 1084 HE3 -0.03 -0.01 -0.00 -0.04 2.10 2.01 1v7yB1 LEU 1085 H -0.04 0.58 -0.11 -0.55 8.37 8.26 1v7yB1 LEU 1085 HA -0.04 -0.01 0.31 -0.75 4.35 3.86 1v7yB1 LEU 1085 HB2 -0.04 0.03 0.15 -0.04 1.64 1.73 1v7yB1 LEU 1085 HB3 -0.00 0.08 -0.12 -0.04 1.64 1.56 1v7yB1 LEU 1085 HG -0.08 0.02 -0.08 -0.04 1.64 1.45 1v7yB1 LEU 1085 HD13 -0.11 -0.00 -0.06 -0.04 0.93 0.72 1v7yB1 LEU 1085 HD23 -0.32 -0.00 -0.16 -0.04 0.89 0.36 1v7yB1 ALA 1086 H 0.03 0.33 -0.43 -0.55 8.40 7.78 1v7yB1 ALA 1086 HA 0.01 0.25 0.50 -0.75 4.34 4.34 1v7yB1 ALA 1086 HB3 0.02 0.02 0.14 -0.04 1.41 1.55 1v7yB1 LEU 1087 H 0.00 0.41 -0.11 -0.55 8.37 8.13 1v7yB1 LEU 1087 HA -0.01 -0.00 0.40 -0.75 4.35 3.98 1v7yB1 LEU 1087 HB2 0.00 0.11 0.17 -0.04 1.64 1.88 1v7yB1 LEU 1087 HB3 -0.00 -0.07 0.02 -0.04 1.64 1.54 1v7yB1 LEU 1087 HG 0.00 0.29 0.14 -0.04 1.64 2.03 1v7yB1 LEU 1087 HD13 -0.00 -0.05 -0.02 -0.04 0.93 0.81 1v7yB1 LEU 1087 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 1v7yB1 ILE 1088 H 0.01 0.58 -0.17 -0.55 8.25 8.12 1v7yB1 ILE 1088 HA 0.10 -0.04 0.36 -0.75 4.18 3.84 1v7yB1 ILE 1088 HB 0.00 0.14 0.07 -0.04 1.89 2.06 1v7yB1 ILE 1088 HG12 0.02 -0.07 -0.03 -0.04 1.49 1.38 1v7yB1 ILE 1088 HG13 -0.00 0.24 -0.05 -0.04 1.21 1.36 1v7yB1 ILE 1088 HG23 0.03 -0.00 -0.16 -0.04 0.93 0.75 1v7yB1 ILE 1088 HD13 -0.05 -0.04 -0.12 -0.04 0.88 0.64 1v7yB1 ARG 1089 H 0.01 0.51 -0.19 -0.55 8.46 8.24 1v7yB1 ARG 1089 HA 0.02 0.13 0.31 -0.75 4.34 4.04 1v7yB1 ARG 1089 HB2 -0.00 0.00 0.12 -0.04 1.90 1.98 1v7yB1 ARG 1089 HB3 -0.00 0.08 0.24 -0.04 1.80 2.08 1v7yB1 ARG 1089 HG2 -0.00 0.06 0.06 -0.04 1.67 1.74 1v7yB1 ARG 1089 HG3 -0.01 -0.09 -0.18 -0.04 1.67 1.35 1v7yB1 ARG 1089 HD2 -0.01 0.02 0.08 -0.04 3.22 3.27 1v7yB1 ARG 1089 HD3 -0.01 -0.05 0.09 -0.04 3.22 3.21 1v7yB1 GLN 1090 H -0.01 0.54 -0.13 -0.55 8.47 8.32 1v7yB1 GLN 1090 HA -0.03 0.00 0.33 -0.75 4.36 3.91 1v7yB1 GLN 1090 HB2 -0.02 0.01 0.10 -0.04 2.15 2.20 1v7yB1 GLN 1090 HB3 -0.03 0.09 0.15 -0.04 2.02 2.20 1v7yB1 GLN 1090 HG2 -0.03 -0.10 -0.02 -0.04 2.40 2.21 1v7yB1 GLN 1090 HG3 -0.05 0.01 -0.26 -0.04 2.39 2.05 1v7yB1 GLN 1090 HE21 -0.02 -0.03 0.01 -0.04 6.97 6.89 1v7yB1 GLN 1090 HE22 -0.03 -0.03 -0.01 -0.04 7.69 7.57 1v7yB1 LYS 1091 H -0.08 0.43 -0.22 -0.55 8.42 8.00 1v7yB1 LYS 1091 HA -0.19 0.00 0.54 -0.75 4.32 3.92 1v7yB1 LYS 1091 HB2 -0.50 0.08 0.00 -0.04 1.87 1.40 1v7yB1 LYS 1091 HB3 -0.44 -0.10 0.08 -0.04 1.79 1.28 1v7yB1 LYS 1091 HG2 -0.09 -0.07 0.01 -0.04 1.46 1.27 1v7yB1 LYS 1091 HG3 -0.06 0.16 0.02 -0.04 1.46 1.54 1v7yB1 LYS 1091 HD2 -0.10 -0.03 0.01 -0.04 1.69 1.53 1v7yB1 LYS 1091 HD3 -0.04 -0.08 -0.02 -0.04 1.68 1.50 1v7yB1 LYS 1091 HE2 0.02 -0.02 -0.05 -0.04 2.99 2.90 1v7yB1 LYS 1091 HE3 -0.05 0.05 -0.02 -0.04 2.99 2.93 1v7yB1 HIS 1092 H -0.05 0.50 -0.36 -0.55 8.41 7.96 1v7yB1 HIS 1092 HA -0.03 0.06 0.80 -0.75 4.63 4.71 1v7yB1 HIS 1092 HB2 -0.04 0.10 0.14 -0.04 3.26 3.43 1v7yB1 HIS 1092 HB3 -0.04 -0.11 0.08 -0.04 3.20 3.09 1v7yB1 HIS 1092 HD2 -0.03 0.06 -0.02 -0.04 6.97 6.94 1v7yB1 HIS 1092 HE1 -0.02 -0.04 -0.03 -0.04 7.75 7.62 1v7yB1 PRO 1093 HA -0.01 0.21 0.47 -0.51 4.44 4.61 1v7yB1 PRO 1093 HB2 -0.01 -0.07 -0.01 -0.04 2.28 2.15 1v7yB1 PRO 1093 HB3 -0.02 -0.00 0.07 -0.04 2.02 2.03 1v7yB1 PRO 1093 HG2 -0.03 -0.07 0.04 -0.04 2.03 1.93 1v7yB1 PRO 1093 HG3 -0.03 0.21 0.03 -0.04 2.03 2.20 1v7yB1 PRO 1093 HD2 -0.01 -0.03 0.10 -0.04 3.68 3.70 1v7yB1 PRO 1093 HD3 -0.06 0.24 -0.42 -0.04 3.65 3.36 1v7yB1 THR 1094 H 0.00 0.04 -0.19 -0.55 8.28 7.58 1v7yB1 THR 1094 HA -0.04 0.16 0.67 -0.75 4.39 4.43 1v7yB1 THR 1094 HB -0.01 -0.02 0.04 -0.04 4.32 4.29 1v7yB1 THR 1094 HG23 -0.04 0.00 -0.15 -0.04 1.22 0.99 1v7yB1 ILE 1095 H -0.01 0.10 -0.20 -0.55 8.25 7.59 1v7yB1 ILE 1095 HA -0.11 0.19 0.51 -0.75 4.18 4.01 1v7yB1 ILE 1095 HB -0.05 -0.05 0.00 -0.04 1.89 1.75 1v7yB1 ILE 1095 HG12 -0.12 -0.08 -0.26 -0.04 1.49 0.98 1v7yB1 ILE 1095 HG13 -0.12 0.35 -0.05 -0.04 1.21 1.35 1v7yB1 ILE 1095 HG23 -0.05 0.02 -0.05 -0.04 0.93 0.81 1v7yB1 ILE 1095 HD13 -0.12 -0.04 -0.30 -0.04 0.88 0.38 1v7yB1 PRO 1096 HA -0.37 0.01 0.44 -0.51 4.44 4.01 1v7yB1 PRO 1096 HB2 -0.61 -0.04 0.03 -0.04 2.28 1.62 1v7yB1 PRO 1096 HB3 -1.51 -0.10 0.02 -0.04 2.02 0.38 1v7yB1 PRO 1096 HG2 -0.41 0.02 0.01 -0.04 2.03 1.60 1v7yB1 PRO 1096 HG3 -0.39 0.02 -0.10 -0.04 2.03 1.52 1v7yB1 PRO 1096 HD2 -0.21 0.18 0.41 -0.04 3.68 4.02 1v7yB1 PRO 1096 HD3 -0.18 0.22 0.34 -0.04 3.65 3.99 1v7yB1 ILE 1097 H -0.15 0.15 0.27 -0.55 8.25 7.96 1v7yB1 ILE 1097 HA -0.06 0.20 1.03 -0.75 4.18 4.60 1v7yB1 ILE 1097 HB -0.03 -0.02 0.21 -0.04 1.89 2.01 1v7yB1 ILE 1097 HG12 -0.07 -0.05 -0.17 -0.04 1.49 1.16 1v7yB1 ILE 1097 HG13 -0.07 0.34 -0.17 -0.04 1.21 1.26 1v7yB1 ILE 1097 HG23 -0.03 -0.04 -0.18 -0.04 0.93 0.64 1v7yB1 ILE 1097 HD13 -0.03 0.01 -0.13 -0.04 0.88 0.70 1v7yB1 GLY 1098 H 0.06 0.66 0.27 -0.55 8.43 8.88 1v7yB1 GLY 1098 HA2 0.18 0.22 1.08 -0.51 4.01 4.99 1v7yB1 GLY 1098 HA3 0.28 0.01 0.26 -0.51 4.01 4.05 1v7yB1 LEU 1099 H 0.08 0.62 0.35 -0.55 8.37 8.88 1v7yB1 LEU 1099 HA 0.01 0.31 1.04 -0.75 4.35 4.95 1v7yB1 LEU 1099 HB2 0.03 -0.04 0.14 -0.04 1.64 1.73 1v7yB1 LEU 1099 HB3 -0.01 -0.06 0.01 -0.04 1.64 1.54 1v7yB1 LEU 1099 HG -0.01 0.06 -0.08 -0.04 1.64 1.56 1v7yB1 LEU 1099 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.69 1v7yB1 LEU 1099 HD23 -0.09 0.02 -0.15 -0.04 0.89 0.63 1v7yB1 LEU 1100 H 0.01 0.58 0.34 -0.55 8.37 8.76 1v7yB1 LEU 1100 HA -0.04 0.22 0.93 -0.75 4.35 4.70 1v7yB1 LEU 1100 HB2 0.18 0.05 -0.20 -0.04 1.64 1.63 1v7yB1 LEU 1100 HB3 0.15 -0.11 0.02 -0.04 1.64 1.66 1v7yB1 LEU 1100 HG -0.03 0.06 -0.06 -0.04 1.64 1.57 1v7yB1 LEU 1100 HD13 -0.08 -0.01 -0.14 -0.04 0.93 0.66 1v7yB1 LEU 1100 HD23 -0.20 0.01 -0.01 -0.04 0.89 0.64 1v7yB1 MET 1101 H -0.18 0.59 0.32 -0.55 8.47 8.65 1v7yB1 MET 1101 HA -0.27 0.13 0.56 -0.75 4.52 4.19 1v7yB1 MET 1101 HB2 -0.17 -0.02 0.11 -0.04 2.15 2.04 1v7yB1 MET 1101 HB3 -0.11 0.18 0.24 -0.04 2.03 2.31 1v7yB1 MET 1101 HG2 -0.07 0.05 -0.20 -0.04 2.63 2.37 1v7yB1 MET 1101 HG3 -0.09 -0.13 -0.51 -0.04 2.56 1.79 1v7yB1 MET 1101 HE3 -0.53 0.00 -0.13 -0.04 2.10 1.40 1v7yB1 TYR 1102 H -0.07 0.24 0.19 -0.55 8.29 8.10 1v7yB1 TYR 1102 HA -0.10 0.06 0.95 -0.75 4.56 4.73 1v7yB1 TYR 1102 HB2 0.00 0.04 0.12 -0.04 3.06 3.18 1v7yB1 TYR 1102 HB3 -0.01 -0.04 0.09 -0.04 2.98 2.98 1v7yB1 TYR 1102 HD2 -0.01 -0.06 0.05 -0.04 7.15 7.09 1v7yB1 TYR 1102 HE2 -0.01 0.05 -0.07 -0.04 6.85 6.77 1v7yB1 ALA 1103 H 0.02 0.18 0.10 -0.55 8.40 8.15 1v7yB1 ALA 1103 HA -0.35 0.09 0.27 -0.75 4.34 3.59 1v7yB1 ALA 1103 HB3 -0.19 0.05 0.03 -0.04 1.41 1.26 1v7yB1 ASN 1104 H 0.09 0.04 -0.40 -0.55 8.53 7.72 1v7yB1 ASN 1104 HA 0.26 0.06 0.29 -0.75 4.76 4.62 1v7yB1 ASN 1104 HB2 0.24 -0.04 0.04 -0.04 2.88 3.07 1v7yB1 ASN 1104 HB3 0.32 0.08 -0.03 -0.04 2.79 3.12 1v7yB1 ASN 1104 HD21 0.07 0.03 0.00 -0.04 7.03 7.09 1v7yB1 ASN 1104 HD22 0.13 0.06 -0.01 -0.04 7.74 7.88 1v7yB1 LEU 1105 H -0.11 0.23 -0.11 -0.55 8.37 7.83 1v7yB1 LEU 1105 HA -0.52 0.02 0.36 -0.75 4.35 3.47 1v7yB1 LEU 1105 HB2 -0.91 -0.02 0.07 -0.04 1.64 0.75 1v7yB1 LEU 1105 HB3 -0.45 0.06 0.03 -0.04 1.64 1.23 1v7yB1 LEU 1105 HG -0.32 0.05 -0.24 -0.04 1.64 1.08 1v7yB1 LEU 1105 HD13 -0.76 -0.02 0.07 -0.04 0.93 0.18 1v7yB1 LEU 1105 HD23 -0.27 0.02 -0.03 -0.04 0.89 0.56 1v7yB1 VAL 1106 H -0.44 0.24 -0.32 -0.55 8.24 7.18 1v7yB1 VAL 1106 HA -0.62 0.09 0.33 -0.75 4.13 3.18 1v7yB1 VAL 1106 HB -0.43 0.09 0.06 -0.04 2.12 1.80 1v7yB1 VAL 1106 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 1v7yB1 VAL 1106 HG23 -1.01 -0.00 -0.12 -0.04 0.95 -0.22 1v7yB1 PHE 1107 H -0.23 0.48 -0.11 -0.55 8.34 7.93 1v7yB1 PHE 1107 HA 0.03 -0.04 0.37 -0.75 4.62 4.23 1v7yB1 PHE 1107 HB2 0.07 0.11 0.10 -0.04 3.15 3.38 1v7yB1 PHE 1107 HB3 0.05 -0.02 -0.02 -0.04 3.06 3.04 1v7yB1 PHE 1107 HD2 0.06 -0.04 -0.11 -0.04 7.28 7.16 1v7yB1 PHE 1107 HE2 0.09 -0.02 -0.06 -0.04 7.38 7.36 1v7yB1 PHE 1107 HZ 0.32 0.04 -0.02 -0.04 7.32 7.62 1v7yB1 ASN 1108 H 0.15 0.51 -0.09 -0.55 8.53 8.56 1v7yB1 ASN 1108 HA 0.16 -0.01 0.31 -0.75 4.76 4.46 1v7yB1 ASN 1108 HB2 0.28 -0.02 0.08 -0.04 2.88 3.18 1v7yB1 ASN 1108 HB3 0.08 0.14 0.10 -0.04 2.79 3.07 1v7yB1 ASN 1108 HD21 0.18 -0.05 -0.07 -0.04 7.03 7.05 1v7yB1 ASN 1108 HD22 0.13 0.05 -0.16 -0.04 7.74 7.72 1v7yB1 LYS 1109 H 0.05 0.33 -0.40 -0.55 8.42 7.85 1v7yB1 LYS 1109 HA 0.07 0.20 1.02 -0.75 4.32 4.85 1v7yB1 LYS 1109 HB2 0.04 -0.04 0.15 -0.04 1.87 1.99 1v7yB1 LYS 1109 HB3 0.07 -0.07 -0.04 -0.04 1.79 1.70 1v7yB1 LYS 1109 HG2 0.08 0.16 0.03 -0.04 1.46 1.69 1v7yB1 LYS 1109 HG3 0.13 0.11 -0.13 -0.04 1.46 1.54 1v7yB1 LYS 1109 HD2 0.24 -0.01 -0.05 -0.04 1.69 1.83 1v7yB1 LYS 1109 HD3 0.00 0.00 -0.06 -0.04 1.68 1.59 1v7yB1 LYS 1109 HE2 0.12 0.00 -0.03 -0.04 2.99 3.04 1v7yB1 LYS 1109 HE3 0.12 -0.04 -0.06 -0.04 2.99 2.97 1v7yB1 GLY 1110 H 0.10 0.50 -0.30 -0.55 8.43 8.19 1v7yB1 GLY 1110 HA2 0.10 -0.03 0.42 -0.51 4.01 3.99 1v7yB1 GLY 1110 HA3 0.07 0.04 0.53 -0.51 4.01 4.13 1v7yB1 ILE 1111 H 0.08 0.11 0.14 -0.55 8.25 8.03 1v7yB1 ILE 1111 HA 0.11 0.14 0.38 -0.75 4.18 4.06 1v7yB1 ILE 1111 HB -0.00 -0.07 0.16 -0.04 1.89 1.95 1v7yB1 ILE 1111 HG12 -0.20 0.00 -0.10 -0.04 1.49 1.15 1v7yB1 ILE 1111 HG13 0.10 -0.02 0.03 -0.04 1.21 1.27 1v7yB1 ILE 1111 HG23 -0.04 0.03 -0.19 -0.04 0.93 0.69 1v7yB1 ILE 1111 HD13 -0.19 0.01 -0.06 -0.04 0.88 0.60 1v7yB1 ASP 1112 H 0.08 0.11 0.05 -0.55 8.40 8.09 1v7yB1 ASP 1112 HA 0.19 0.12 0.39 -0.75 4.63 4.59 1v7yB1 ASP 1112 HB2 0.09 0.01 0.11 -0.04 2.71 2.88 1v7yB1 ASP 1112 HB3 0.08 -0.02 0.05 -0.04 2.70 2.77 1v7yB1 GLU 1113 H 0.07 0.06 -0.49 -0.55 8.60 7.69 1v7yB1 GLU 1113 HA -0.04 0.07 0.48 -0.75 4.29 4.04 1v7yB1 GLU 1113 HB2 0.02 -0.12 0.09 -0.04 2.09 2.03 1v7yB1 GLU 1113 HB3 0.03 0.52 0.18 -0.04 1.99 2.68 1v7yB1 GLU 1113 HG2 -0.06 -0.04 -0.03 -0.04 2.34 2.17 1v7yB1 GLU 1113 HG3 -0.04 -0.06 0.07 -0.04 2.34 2.27 1v7yB1 PHE 1114 H 0.15 0.42 -0.26 -0.55 8.34 8.09 1v7yB1 PHE 1114 HA -0.18 0.05 0.54 -0.75 4.62 4.27 1v7yB1 PHE 1114 HB2 -0.09 0.08 0.05 -0.04 3.15 3.15 1v7yB1 PHE 1114 HB3 -0.12 0.12 0.18 -0.04 3.06 3.20 1v7yB1 PHE 1114 HD2 -0.47 0.04 -0.17 -0.04 7.28 6.64 1v7yB1 PHE 1114 HE2 -0.24 -0.01 -0.16 -0.04 7.38 6.93 1v7yB1 PHE 1114 HZ -0.15 -0.02 -0.15 -0.04 7.32 6.96 1v7yB1 TYR 1115 H 0.14 0.46 -0.05 -0.55 8.29 8.29 1v7yB1 TYR 1115 HA -0.21 0.04 0.43 -0.75 4.56 4.08 1v7yB1 TYR 1115 HB2 -0.03 0.02 0.01 -0.04 3.06 3.02 1v7yB1 TYR 1115 HB3 0.01 0.16 -0.08 -0.04 2.98 3.02 1v7yB1 TYR 1115 HD2 0.12 0.13 -0.10 -0.04 7.15 7.26 1v7yB1 TYR 1115 HE2 0.19 -0.05 -0.10 -0.04 6.85 6.85 1v7yB1 ALA 1116 H -0.38 0.26 -0.43 -0.55 8.40 7.31 1v7yB1 ALA 1116 HA -0.64 0.13 0.51 -0.75 4.34 3.59 1v7yB1 ALA 1116 HB3 -0.25 0.03 0.10 -0.04 1.41 1.25 1v7yB1 GLN 1117 H -0.37 0.35 -0.27 -0.55 8.47 7.63 1v7yB1 GLN 1117 HA -0.33 0.03 0.44 -0.75 4.36 3.74 1v7yB1 GLN 1117 HB2 -0.47 0.08 0.16 -0.04 2.15 1.88 1v7yB1 GLN 1117 HB3 -0.79 0.14 0.16 -0.04 2.02 1.49 1v7yB1 GLN 1117 HG2 -1.75 -0.06 -0.01 -0.04 2.40 0.53 1v7yB1 GLN 1117 HG3 -1.75 -0.02 -0.09 -0.04 2.39 0.49 1v7yB1 GLN 1117 HE21 -0.23 -0.01 -0.01 -0.04 6.97 6.67 1v7yB1 GLN 1117 HE22 -0.47 -0.05 -0.02 -0.04 7.69 7.11 1v7yB1 CYS 1118 H -0.40 0.27 -0.50 -0.55 8.50 7.32 1v7yB1 CYS 1118 HA -0.01 -0.01 0.54 -0.75 4.58 4.35 1v7yB1 CYS 1118 HB2 -0.20 0.15 0.09 -0.04 2.97 2.98 1v7yB1 CYS 1118 HB3 -0.07 0.02 -0.06 -0.04 2.97 2.82 1v7yB1 GLU 1119 H -0.11 0.38 -0.15 -0.55 8.60 8.17 1v7yB1 GLU 1119 HA 0.02 0.16 0.48 -0.75 4.29 4.21 1v7yB1 GLU 1119 HB2 0.11 0.13 0.25 -0.04 2.09 2.54 1v7yB1 GLU 1119 HB3 0.03 -0.02 0.19 -0.04 1.99 2.15 1v7yB1 GLU 1119 HG2 0.04 -0.08 -0.14 -0.04 2.34 2.12 1v7yB1 GLU 1119 HG3 0.06 0.13 0.08 -0.04 2.34 2.57 1v7yB1 LYS 1120 H -0.09 0.38 -0.27 -0.55 8.42 7.88 1v7yB1 LYS 1120 HA -0.03 0.04 0.41 -0.75 4.32 3.99 1v7yB1 LYS 1120 HB2 -0.07 -0.04 0.08 -0.04 1.87 1.80 1v7yB1 LYS 1120 HB3 -0.13 0.05 0.14 -0.04 1.79 1.81 1v7yB1 LYS 1120 HG2 -0.05 0.05 -0.39 -0.04 1.46 1.03 1v7yB1 LYS 1120 HG3 -0.04 -0.04 -0.01 -0.04 1.46 1.33 1v7yB1 LYS 1120 HD2 -0.14 -0.01 -0.01 -0.04 1.69 1.48 1v7yB1 LYS 1120 HD3 -0.07 -0.06 -0.04 -0.04 1.68 1.47 1v7yB1 LYS 1120 HE2 -0.10 0.05 -0.04 -0.04 2.99 2.86 1v7yB1 LYS 1120 HE3 -0.08 -0.08 -0.02 -0.04 2.99 2.77 1v7yB1 VAL 1121 H -0.04 0.27 -0.25 -0.55 8.24 7.67 1v7yB1 VAL 1121 HA 0.01 0.02 0.52 -0.75 4.13 3.92 1v7yB1 VAL 1121 HB 0.09 0.04 0.20 -0.04 2.12 2.42 1v7yB1 VAL 1121 HG13 0.05 -0.04 -0.33 -0.04 0.97 0.61 1v7yB1 VAL 1121 HG23 0.17 -0.04 0.07 -0.04 0.95 1.11 1v7yB1 GLY 1122 H 0.00 0.52 -0.13 -0.55 8.43 8.28 1v7yB1 GLY 1122 HA2 0.01 0.11 0.24 -0.51 4.01 3.85 1v7yB1 GLY 1122 HA3 0.00 0.16 0.84 -0.51 4.01 4.50 1v7yB1 VAL 1123 H 0.01 0.17 0.11 -0.55 8.24 7.98 1v7yB1 VAL 1123 HA 0.00 0.04 0.49 -0.75 4.13 3.91 1v7yB1 VAL 1123 HB 0.02 -0.01 0.05 -0.04 2.12 2.14 1v7yB1 VAL 1123 HG13 -0.01 -0.01 -0.00 -0.04 0.97 0.91 1v7yB1 VAL 1123 HG23 0.02 -0.02 -0.24 -0.04 0.95 0.67 1v7yB1 ASP 1124 H 0.04 0.43 0.44 -0.55 8.40 8.77 1v7yB1 ASP 1124 HA 0.09 0.29 0.85 -0.75 4.63 5.11 1v7yB1 ASP 1124 HB2 0.05 -0.03 0.14 -0.04 2.71 2.83 1v7yB1 ASP 1124 HB3 0.14 -0.12 0.18 -0.04 2.70 2.86 1v7yB1 SER 1125 H 0.16 0.32 0.26 -0.55 8.46 8.64 1v7yB1 SER 1125 HA 0.13 0.12 0.73 -0.75 4.49 4.71 1v7yB1 SER 1125 HB2 0.00 0.13 0.04 -0.04 3.95 4.08 1v7yB1 SER 1125 HB3 0.23 0.05 -0.25 -0.04 3.93 3.92 1v7yB1 VAL 1126 H 0.06 0.66 0.27 -0.55 8.24 8.67 1v7yB1 VAL 1126 HA 0.06 0.11 0.97 -0.75 4.13 4.51 1v7yB1 VAL 1126 HB 0.26 0.01 -0.04 -0.04 2.12 2.31 1v7yB1 VAL 1126 HG13 0.08 -0.03 -0.24 -0.04 0.97 0.73 1v7yB1 VAL 1126 HG23 0.08 0.01 -0.31 -0.04 0.95 0.69 1v7yB1 LEU 1127 H -0.02 0.51 0.16 -0.55 8.37 8.47 1v7yB1 LEU 1127 HA -0.18 0.26 1.00 -0.75 4.35 4.67 1v7yB1 LEU 1127 HB2 -0.07 0.05 -0.10 -0.04 1.64 1.47 1v7yB1 LEU 1127 HB3 -0.05 0.05 0.20 -0.04 1.64 1.81 1v7yB1 LEU 1127 HG -0.18 -0.14 -0.28 -0.04 1.64 1.00 1v7yB1 LEU 1127 HD13 -0.17 -0.02 -0.26 -0.04 0.93 0.45 1v7yB1 LEU 1127 HD23 -0.20 -0.01 -0.18 -0.04 0.89 0.47 1v7yB1 VAL 1128 H -0.20 0.30 0.06 -0.55 8.24 7.86 1v7yB1 VAL 1128 HA -0.21 0.19 0.71 -0.75 4.13 4.06 1v7yB1 VAL 1128 HB -0.36 0.06 0.12 -0.04 2.12 1.90 1v7yB1 VAL 1128 HG13 -0.36 -0.05 -0.21 -0.04 0.97 0.31 1v7yB1 VAL 1128 HG23 -0.30 0.03 -0.11 -0.04 0.95 0.52 1v7yB1 ALA 1129 H -0.26 0.61 0.29 -0.55 8.40 8.50 1v7yB1 ALA 1129 HA -0.13 0.07 0.28 -0.75 4.34 3.81 1v7yB1 ALA 1129 HB3 -0.30 -0.02 0.03 -0.04 1.41 1.08 1v7yB1 ASP 1130 H 0.13 -0.03 -0.08 -0.55 8.40 7.88 1v7yB1 ASP 1130 HA 0.07 0.23 0.74 -0.75 4.63 4.93 1v7yB1 ASP 1130 HB2 0.06 0.06 0.21 -0.04 2.71 3.00 1v7yB1 ASP 1130 HB3 0.17 0.02 0.07 -0.04 2.70 2.92 1v7yB1 VAL 1131 H -0.02 0.47 -0.39 -0.55 8.24 7.75 1v7yB1 VAL 1131 HA 0.02 0.17 0.87 -0.75 4.13 4.43 1v7yB1 VAL 1131 HB -0.23 0.07 0.03 -0.04 2.12 1.95 1v7yB1 VAL 1131 HG13 -0.08 0.02 -0.16 -0.04 0.97 0.71 1v7yB1 VAL 1131 HG23 -0.31 -0.07 -0.23 -0.04 0.95 0.30 1v7yB1 PRO 1132 HA 0.05 0.07 0.46 -0.51 4.44 4.51 1v7yB1 PRO 1132 HB2 0.05 -0.13 0.05 -0.04 2.28 2.20 1v7yB1 PRO 1132 HB3 0.03 0.03 0.12 -0.04 2.02 2.16 1v7yB1 PRO 1132 HG2 0.04 0.06 0.06 -0.04 2.03 2.15 1v7yB1 PRO 1132 HG3 0.03 0.07 0.04 -0.04 2.03 2.14 1v7yB1 PRO 1132 HD2 0.07 0.12 0.17 -0.04 3.68 3.99 1v7yB1 PRO 1132 HD3 0.04 0.21 0.05 -0.04 3.65 3.90 1v7yB1 VAL 1133 H 0.03 0.16 0.20 -0.55 8.24 8.08 1v7yB1 VAL 1133 HA -0.00 0.16 0.34 -0.75 4.13 3.88 1v7yB1 VAL 1133 HB -0.07 -0.05 0.04 -0.04 2.12 2.00 1v7yB1 VAL 1133 HG13 -0.39 0.02 -0.05 -0.04 0.97 0.50 1v7yB1 VAL 1133 HG23 -0.03 0.01 0.13 -0.04 0.95 1.02 1v7yB1 GLU 1134 H 0.03 -0.01 -0.27 -0.55 8.60 7.81 1v7yB1 GLU 1134 HA 0.06 0.11 0.37 -0.75 4.29 4.07 1v7yB1 GLU 1134 HB2 0.04 -0.02 0.00 -0.04 2.09 2.07 1v7yB1 GLU 1134 HB3 0.03 0.05 0.02 -0.04 1.99 2.05 1v7yB1 GLU 1134 HG2 0.01 0.04 0.02 -0.04 2.34 2.37 1v7yB1 GLU 1134 HG3 0.01 0.04 0.02 -0.04 2.34 2.36 1v7yB1 GLU 1135 H 0.07 0.17 -0.37 -0.55 8.60 7.93 1v7yB1 GLU 1135 HA 0.08 0.18 0.94 -0.75 4.29 4.74 1v7yB1 GLU 1135 HB2 0.10 0.02 0.14 -0.04 2.09 2.31 1v7yB1 GLU 1135 HB3 0.12 -0.01 0.19 -0.04 1.99 2.25 1v7yB1 GLU 1135 HG2 0.06 0.01 0.01 -0.04 2.34 2.38 1v7yB1 GLU 1135 HG3 0.06 0.08 -0.14 -0.04 2.34 2.30 1v7yB1 SER 1136 H 0.10 0.35 -0.34 -0.55 8.46 8.02 1v7yB1 SER 1136 HA 0.38 0.16 0.86 -0.75 4.49 5.13 1v7yB1 SER 1136 HB2 0.42 -0.07 0.08 -0.04 3.95 4.33 1v7yB1 SER 1136 HB3 0.25 0.17 -0.12 -0.04 3.93 4.20 1v7yB1 ALA 1137 H 0.06 0.15 -0.04 -0.55 8.40 8.03 1v7yB1 ALA 1137 HA -0.06 0.10 0.39 -0.75 4.34 4.01 1v7yB1 ALA 1137 HB3 -0.02 0.04 0.09 -0.04 1.41 1.48 1v7yB1 PRO 1138 HA -0.08 0.07 0.40 -0.51 4.44 4.32 1v7yB1 PRO 1138 HB2 -0.25 0.01 -0.03 -0.04 2.28 1.97 1v7yB1 PRO 1138 HB3 -0.07 0.04 0.07 -0.04 2.02 2.02 1v7yB1 PRO 1138 HG2 -0.05 0.05 -0.09 -0.04 2.03 1.91 1v7yB1 PRO 1138 HG3 0.04 0.07 -0.02 -0.04 2.03 2.07 1v7yB1 PRO 1138 HD2 0.13 0.01 -0.29 -0.04 3.68 3.49 1v7yB1 PRO 1138 HD3 0.03 0.13 0.04 -0.04 3.65 3.82 1v7yB1 PHE 1139 H 0.18 0.24 -0.56 -0.55 8.34 7.64 1v7yB1 PHE 1139 HA -0.10 0.04 0.53 -0.75 4.62 4.33 1v7yB1 PHE 1139 HB2 0.07 0.16 0.12 -0.04 3.15 3.46 1v7yB1 PHE 1139 HB3 0.04 0.01 -0.02 -0.04 3.06 3.05 1v7yB1 PHE 1139 HD2 0.19 0.04 -0.02 -0.04 7.28 7.44 1v7yB1 PHE 1139 HE2 -0.04 0.01 -0.04 -0.04 7.38 7.27 1v7yB1 PHE 1139 HZ -0.46 -0.04 -0.05 -0.04 7.32 6.73 1v7yB1 ARG 1140 H 0.10 0.59 0.09 -0.55 8.46 8.70 1v7yB1 ARG 1140 HA 0.01 0.07 0.44 -0.75 4.34 4.11 1v7yB1 ARG 1140 HB2 -0.05 -0.01 0.16 -0.04 1.90 1.97 1v7yB1 ARG 1140 HB3 -0.03 0.07 0.01 -0.04 1.80 1.81 1v7yB1 ARG 1140 HG2 0.33 0.04 -0.03 -0.04 1.67 1.97 1v7yB1 ARG 1140 HG3 0.29 0.01 -0.03 -0.04 1.67 1.91 1v7yB1 ARG 1140 HD2 -0.22 0.12 -0.02 -0.04 3.22 3.06 1v7yB1 ARG 1140 HD3 -0.11 -0.03 -0.08 -0.04 3.22 2.95 1v7yB1 GLN 1141 H -0.06 0.61 -0.03 -0.55 8.47 8.43 1v7yB1 GLN 1141 HA -0.06 0.08 0.39 -0.75 4.36 4.00 1v7yB1 GLN 1141 HB2 -0.07 -0.02 0.07 -0.04 2.15 2.09 1v7yB1 GLN 1141 HB3 -0.05 -0.02 -0.02 -0.04 2.02 1.89 1v7yB1 GLN 1141 HG2 -0.06 0.01 0.02 -0.04 2.40 2.33 1v7yB1 GLN 1141 HG3 -0.06 0.19 0.08 -0.04 2.39 2.56 1v7yB1 GLN 1141 HE21 -0.03 -0.03 -0.05 -0.04 6.97 6.82 1v7yB1 GLN 1141 HE22 -0.05 0.01 -0.03 -0.04 7.69 7.58 1v7yB1 ALA 1142 H -0.16 0.36 -0.26 -0.55 8.40 7.78 1v7yB1 ALA 1142 HA -0.00 0.02 0.40 -0.75 4.34 4.01 1v7yB1 ALA 1142 HB3 -0.16 -0.01 0.01 -0.04 1.41 1.22 1v7yB1 ALA 1143 H -0.39 0.43 -0.35 -0.55 8.40 7.54 1v7yB1 ALA 1143 HA -0.05 -0.01 0.43 -0.75 4.34 3.96 1v7yB1 ALA 1143 HB3 -0.16 0.02 -0.03 -0.04 1.41 1.20 1v7yB1 LEU 1144 H -0.06 0.73 0.11 -0.55 8.37 8.60 1v7yB1 LEU 1144 HA 0.01 0.12 0.42 -0.75 4.35 4.15 1v7yB1 LEU 1144 HB2 -0.04 -0.01 0.14 -0.04 1.64 1.70 1v7yB1 LEU 1144 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.58 1v7yB1 LEU 1144 HG -0.01 0.12 0.15 -0.04 1.64 1.86 1v7yB1 LEU 1144 HD13 -0.00 -0.02 -0.00 -0.04 0.93 0.86 1v7yB1 LEU 1144 HD23 0.03 0.04 0.05 -0.04 0.89 0.97 1v7yB1 ARG 1145 H -0.06 0.41 -0.38 -0.55 8.46 7.88 1v7yB1 ARG 1145 HA -0.11 0.00 0.42 -0.75 4.34 3.90 1v7yB1 ARG 1145 HB2 -0.11 0.01 0.11 -0.04 1.90 1.87 1v7yB1 ARG 1145 HB3 -0.15 0.10 0.09 -0.04 1.80 1.80 1v7yB1 ARG 1145 HG2 -0.67 0.02 -0.15 -0.04 1.67 0.83 1v7yB1 ARG 1145 HG3 -0.22 -0.03 0.08 -0.04 1.67 1.46 1v7yB1 ARG 1145 HD2 -0.09 -0.04 -0.01 -0.04 3.22 3.04 1v7yB1 ARG 1145 HD3 -0.08 -0.04 -0.02 -0.04 3.22 3.04 1v7yB1 HIS 1146 H 0.08 0.39 -0.39 -0.55 8.41 7.95 1v7yB1 HIS 1146 HA 0.02 0.18 0.96 -0.75 4.63 5.03 1v7yB1 HIS 1146 HB2 0.09 0.03 0.07 -0.04 3.26 3.41 1v7yB1 HIS 1146 HB3 0.03 -0.03 0.20 -0.04 3.20 3.36 1v7yB1 HIS 1146 HD2 0.00 0.01 0.01 -0.04 6.97 6.96 1v7yB1 HIS 1146 HE1 0.04 -0.16 0.03 -0.04 7.75 7.62 1v7yB1 ASN 1147 H 0.03 0.37 -0.32 -0.55 8.53 8.07 1v7yB1 ASN 1147 HA 0.05 0.01 0.31 -0.75 4.76 4.37 1v7yB1 ASN 1147 HB2 0.06 0.20 -0.03 -0.04 2.88 3.06 1v7yB1 ASN 1147 HB3 0.05 -0.01 0.22 -0.04 2.79 3.01 1v7yB1 ASN 1147 HD21 0.01 -0.07 -0.06 -0.04 7.03 6.87 1v7yB1 ASN 1147 HD22 0.04 0.05 -0.21 -0.04 7.74 7.58 1v7yB1 VAL 1148 H 0.12 0.42 -0.32 -0.55 8.24 7.90 1v7yB1 VAL 1148 HA 0.11 0.24 0.68 -0.75 4.13 4.41 1v7yB1 VAL 1148 HB 0.23 -0.11 -0.02 -0.04 2.12 2.19 1v7yB1 VAL 1148 HG13 0.20 -0.03 -0.34 -0.04 0.97 0.76 1v7yB1 VAL 1148 HG23 0.15 0.06 -0.15 -0.04 0.95 0.98 1v7yB1 ALA 1149 H 0.11 0.55 0.22 -0.55 8.40 8.74 1v7yB1 ALA 1149 HA 0.04 0.22 0.78 -0.75 4.34 4.62 1v7yB1 ALA 1149 HB3 0.04 -0.01 -0.01 -0.04 1.41 1.39 1v7yB1 PRO 1150 HA -0.11 0.07 0.65 -0.51 4.44 4.53 1v7yB1 PRO 1150 HB2 -0.21 -0.04 -0.05 -0.04 2.28 1.94 1v7yB1 PRO 1150 HB3 -0.03 -0.02 0.04 -0.04 2.02 1.97 1v7yB1 PRO 1150 HG2 0.10 0.02 0.13 -0.04 2.03 2.25 1v7yB1 PRO 1150 HG3 0.09 0.06 0.09 -0.04 2.03 2.23 1v7yB1 PRO 1150 HD2 0.03 0.11 0.27 -0.04 3.68 4.05 1v7yB1 PRO 1150 HD3 0.02 0.23 0.14 -0.04 3.65 4.00 1v7yB1 ILE 1151 H -0.37 0.45 0.38 -0.55 8.25 8.16 1v7yB1 ILE 1151 HA -0.35 0.29 1.12 -0.75 4.18 4.48 1v7yB1 ILE 1151 HB -0.24 -0.14 -0.07 -0.04 1.89 1.40 1v7yB1 ILE 1151 HG12 -0.20 0.05 -0.18 -0.04 1.49 1.11 1v7yB1 ILE 1151 HG13 -0.30 -0.09 -0.22 -0.04 1.21 0.56 1v7yB1 ILE 1151 HG23 -0.38 0.06 -0.11 -0.04 0.93 0.46 1v7yB1 ILE 1151 HD13 -0.61 0.08 -0.11 -0.04 0.88 0.19 1v7yB1 PHE 1152 H -0.04 0.29 0.25 -0.55 8.34 8.28 1v7yB1 PHE 1152 HA -0.02 0.14 0.95 -0.75 4.62 4.94 1v7yB1 PHE 1152 HB2 0.01 0.05 0.07 -0.04 3.15 3.25 1v7yB1 PHE 1152 HB3 0.02 -0.00 0.08 -0.04 3.06 3.11 1v7yB1 PHE 1152 HD2 0.04 0.04 -0.02 -0.04 7.28 7.29 1v7yB1 PHE 1152 HE2 0.07 0.06 -0.22 -0.04 7.38 7.25 1v7yB1 PHE 1152 HZ 0.04 -0.02 -0.12 -0.04 7.32 7.18 1v7yB1 ILE 1153 H 0.14 0.13 0.17 -0.55 8.25 8.14 1v7yB1 ILE 1153 HA 0.18 0.20 0.79 -0.75 4.18 4.60 1v7yB1 ILE 1153 HB 0.04 -0.03 0.08 -0.04 1.89 1.94 1v7yB1 ILE 1153 HG12 -0.25 0.01 -0.11 -0.04 1.49 1.09 1v7yB1 ILE 1153 HG13 -0.06 -0.04 -0.09 -0.04 1.21 0.98 1v7yB1 ILE 1153 HG23 0.10 -0.01 -0.16 -0.04 0.93 0.81 1v7yB1 ILE 1153 HD13 -0.12 -0.00 -0.03 -0.04 0.88 0.69 1v7yB1 CYS 1154 H 0.18 0.74 0.31 -0.55 8.50 9.18 1v7yB1 CYS 1154 HA 0.07 0.13 0.87 -0.75 4.58 4.89 1v7yB1 CYS 1154 HB2 0.08 0.03 -0.11 -0.04 2.97 2.92 1v7yB1 CYS 1154 HB3 0.08 -0.00 0.13 -0.04 2.97 3.14 1v7yB1 PRO 1155 HA 0.03 0.10 0.55 -0.51 4.44 4.61 1v7yB1 PRO 1155 HB2 0.00 -0.03 0.01 -0.04 2.28 2.22 1v7yB1 PRO 1155 HB3 0.01 0.03 0.05 -0.04 2.02 2.06 1v7yB1 PRO 1155 HG2 0.02 -0.07 0.01 -0.04 2.03 1.95 1v7yB1 PRO 1155 HG3 0.01 0.05 0.01 -0.04 2.03 2.06 1v7yB1 PRO 1155 HD2 0.03 0.11 0.20 -0.04 3.68 3.99 1v7yB1 PRO 1155 HD3 0.04 0.18 -0.01 -0.04 3.65 3.81 1v7yB1 PRO 1156 HA 0.02 0.11 0.48 -0.51 4.44 4.55 1v7yB1 PRO 1156 HB2 0.01 0.02 0.11 -0.04 2.28 2.37 1v7yB1 PRO 1156 HB3 0.02 0.15 0.21 -0.04 2.02 2.37 1v7yB1 PRO 1156 HG2 -0.00 -0.02 0.10 -0.04 2.03 2.07 1v7yB1 PRO 1156 HG3 0.00 0.30 0.23 -0.04 2.03 2.52 1v7yB1 PRO 1156 HD2 -0.00 -0.08 0.21 -0.04 3.68 3.76 1v7yB1 PRO 1156 HD3 0.02 0.31 0.15 -0.04 3.65 4.09 1v7yB1 ASN 1157 H 0.00 -0.01 -0.57 -0.55 8.53 7.41 1v7yB1 ASN 1157 HA -0.01 0.07 0.63 -0.75 4.76 4.69 1v7yB1 ASN 1157 HB2 -0.01 0.08 -0.01 -0.04 2.88 2.90 1v7yB1 ASN 1157 HB3 -0.01 0.21 -0.04 -0.04 2.79 2.90 1v7yB1 ASN 1157 HD21 -0.01 -0.09 -0.10 -0.04 7.03 6.79 1v7yB1 ASN 1157 HD22 -0.01 0.13 -0.03 -0.04 7.74 7.79 1v7yB1 ALA 1158 H 0.01 0.39 -0.32 -0.55 8.40 7.94 1v7yB1 ALA 1158 HA 0.01 -0.03 0.49 -0.75 4.34 4.06 1v7yB1 ALA 1158 HB3 0.02 0.00 0.04 -0.04 1.41 1.44 1v7yB1 ASP 1159 H 0.00 0.02 0.19 -0.55 8.40 8.08 1v7yB1 ASP 1159 HA 0.02 0.22 0.59 -0.75 4.63 4.71 1v7yB1 ASP 1159 HB2 0.01 -0.03 0.17 -0.04 2.71 2.81 1v7yB1 ASP 1159 HB3 0.00 0.14 0.13 -0.04 2.70 2.93 1v7yB1 ASP 1160 H 0.03 0.19 0.14 -0.55 8.40 8.22 1v7yB1 ASP 1160 HA 0.11 0.14 0.30 -0.75 4.63 4.42 1v7yB1 ASP 1160 HB2 0.06 0.02 0.15 -0.04 2.71 2.90 1v7yB1 ASP 1160 HB3 0.04 -0.01 0.01 -0.04 2.70 2.70 1v7yB1 ASP 1161 H -0.00 0.04 -0.23 -0.55 8.40 7.66 1v7yB1 ASP 1161 HA -0.06 0.14 0.40 -0.75 4.63 4.35 1v7yB1 ASP 1161 HB2 -0.02 -0.08 0.10 -0.04 2.71 2.66 1v7yB1 ASP 1161 HB3 -0.05 0.05 -0.02 -0.04 2.70 2.64 1v7yB1 LEU 1162 H -0.02 0.07 -0.11 -0.55 8.37 7.76 1v7yB1 LEU 1162 HA -0.09 0.01 0.37 -0.75 4.35 3.89 1v7yB1 LEU 1162 HB2 -0.02 -0.06 0.14 -0.04 1.64 1.66 1v7yB1 LEU 1162 HB3 -0.01 0.10 0.10 -0.04 1.64 1.80 1v7yB1 LEU 1162 HG -0.02 0.08 -0.12 -0.04 1.64 1.55 1v7yB1 LEU 1162 HD13 -0.06 -0.02 0.11 -0.04 0.93 0.92 1v7yB1 LEU 1162 HD23 0.00 0.00 0.06 -0.04 0.89 0.92 1v7yB1 LEU 1163 H 0.02 0.36 -0.38 -0.55 8.37 7.82 1v7yB1 LEU 1163 HA 0.04 0.03 0.34 -0.75 4.35 4.00 1v7yB1 LEU 1163 HB2 0.19 0.10 0.03 -0.04 1.64 1.92 1v7yB1 LEU 1163 HB3 0.22 0.05 -0.11 -0.04 1.64 1.75 1v7yB1 LEU 1163 HG 0.06 0.05 -0.23 -0.04 1.64 1.48 1v7yB1 LEU 1163 HD13 0.09 -0.01 -0.15 -0.04 0.93 0.82 1v7yB1 LEU 1163 HD23 0.05 0.00 -0.11 -0.04 0.89 0.80 1v7yB1 ARG 1164 H -0.08 0.45 -0.17 -0.55 8.46 8.11 1v7yB1 ARG 1164 HA -0.29 0.12 0.43 -0.75 4.34 3.84 1v7yB1 ARG 1164 HB2 -0.22 0.09 0.17 -0.04 1.90 1.90 1v7yB1 ARG 1164 HB3 -0.30 -0.03 0.02 -0.04 1.80 1.45 1v7yB1 ARG 1164 HG2 -1.10 0.04 0.02 -0.04 1.67 0.59 1v7yB1 ARG 1164 HG3 -0.50 0.05 0.04 -0.04 1.67 1.22 1v7yB1 ARG 1164 HD2 -0.18 -0.07 -0.05 -0.04 3.22 2.88 1v7yB1 ARG 1164 HD3 -0.25 -0.02 -0.01 -0.04 3.22 2.90 1v7yB1 GLN 1165 H -0.21 0.29 -0.25 -0.55 8.47 7.75 1v7yB1 GLN 1165 HA -0.64 0.10 0.52 -0.75 4.36 3.60 1v7yB1 GLN 1165 HB2 -0.29 0.05 0.19 -0.04 2.15 2.05 1v7yB1 GLN 1165 HB3 -0.68 -0.03 -0.03 -0.04 2.02 1.24 1v7yB1 GLN 1165 HG2 -0.32 0.02 -0.02 -0.04 2.40 2.04 1v7yB1 GLN 1165 HG3 -0.21 0.12 -0.03 -0.04 2.39 2.23 1v7yB1 GLN 1165 HE21 -0.01 -0.07 -0.07 -0.04 6.97 6.78 1v7yB1 GLN 1165 HE22 -0.04 0.06 -0.05 -0.04 7.69 7.63 1v7yB1 ILE 1166 H -0.21 0.55 0.07 -0.55 8.25 8.11 1v7yB1 ILE 1166 HA -0.23 -0.05 0.35 -0.75 4.18 3.50 1v7yB1 ILE 1166 HB 0.06 -0.02 -0.04 -0.04 1.89 1.86 1v7yB1 ILE 1166 HG12 -0.04 0.18 0.21 -0.04 1.49 1.80 1v7yB1 ILE 1166 HG13 0.01 0.15 -0.10 -0.04 1.21 1.23 1v7yB1 ILE 1166 HG23 -0.06 0.01 0.05 -0.04 0.93 0.89 1v7yB1 ILE 1166 HD13 0.04 -0.03 -0.10 -0.04 0.88 0.74 1v7yB1 ALA 1167 H -0.08 0.33 -0.49 -0.55 8.40 7.61 1v7yB1 ALA 1167 HA 0.04 -0.02 0.39 -0.75 4.34 4.00 1v7yB1 ALA 1167 HB3 0.07 0.03 -0.02 -0.04 1.41 1.45 1v7yB1 SER 1168 H -0.16 0.24 -0.25 -0.55 8.46 7.74 1v7yB1 SER 1168 HA 0.03 0.19 0.61 -0.75 4.49 4.56 1v7yB1 SER 1168 HB2 0.03 -0.09 0.11 -0.04 3.95 3.96 1v7yB1 SER 1168 HB3 -0.09 0.03 0.14 -0.04 3.93 3.98 1v7yB1 TYR 1169 H -0.03 0.40 -0.12 -0.55 8.29 7.98 1v7yB1 TYR 1169 HA 0.03 0.07 0.66 -0.75 4.56 4.57 1v7yB1 TYR 1169 HB2 -0.29 -0.06 0.08 -0.04 3.06 2.76 1v7yB1 TYR 1169 HB3 -0.02 -0.09 -0.06 -0.04 2.98 2.77 1v7yB1 TYR 1169 HD2 -0.33 0.01 -0.24 -0.04 7.15 6.55 1v7yB1 TYR 1169 HE2 -0.11 0.00 -0.05 -0.04 6.85 6.65 1v7yB1 GLY 1170 H 0.28 0.30 0.08 -0.55 8.43 8.54 1v7yB1 GLY 1170 HA2 0.27 0.13 0.42 -0.51 4.01 4.32 1v7yB1 GLY 1170 HA3 0.24 -0.07 0.37 -0.51 4.01 4.04 1v7yB1 ARG 1171 H -0.02 0.46 0.31 -0.55 8.46 8.66 1v7yB1 ARG 1171 HA 0.04 0.19 0.70 -0.75 4.34 4.52 1v7yB1 ARG 1171 HB2 0.02 -0.10 0.04 -0.04 1.90 1.82 1v7yB1 ARG 1171 HB3 0.05 -0.08 0.13 -0.04 1.80 1.86 1v7yB1 ARG 1171 HG2 0.08 0.09 -0.41 -0.04 1.67 1.38 1v7yB1 ARG 1171 HG3 0.05 -0.02 0.02 -0.04 1.67 1.68 1v7yB1 ARG 1171 HD2 0.05 -0.07 -0.00 -0.04 3.22 3.16 1v7yB1 ARG 1171 HD3 0.06 -0.07 0.04 -0.04 3.22 3.21 1v7yB1 GLY 1172 H 0.06 0.16 0.07 -0.55 8.43 8.17 1v7yB1 GLY 1172 HA2 0.09 -0.10 0.37 -0.51 4.01 3.87 1v7yB1 GLY 1172 HA3 -0.28 0.07 0.44 -0.51 4.01 3.73 1v7yB1 TYR 1173 H -0.39 0.61 0.25 -0.55 8.29 8.20 1v7yB1 TYR 1173 HA 0.03 0.22 0.32 -0.75 4.56 4.37 1v7yB1 TYR 1173 HB2 0.10 0.14 -0.04 -0.04 3.06 3.21 1v7yB1 TYR 1173 HB3 0.18 -0.02 -0.32 -0.04 2.98 2.78 1v7yB1 TYR 1173 HD2 -0.51 0.08 -0.41 -0.04 7.15 6.26 1v7yB1 TYR 1173 HE2 0.08 -0.07 -0.27 -0.04 6.85 6.55 1v7yB1 THR 1174 H 0.13 0.59 0.02 -0.55 8.28 8.46 1v7yB1 THR 1174 HA -0.07 0.13 0.96 -0.75 4.39 4.65 1v7yB1 THR 1174 HB 0.07 -0.01 -0.03 -0.04 4.32 4.31 1v7yB1 THR 1174 HG23 0.04 0.02 -0.30 -0.04 1.22 0.94 1v7yB1 TYR 1175 H 0.17 0.46 0.18 -0.55 8.29 8.56 1v7yB1 TYR 1175 HA 0.22 0.21 0.71 -0.75 4.56 4.95 1v7yB1 TYR 1175 HB2 0.13 0.04 -0.08 -0.04 3.06 3.11 1v7yB1 TYR 1175 HB3 0.07 -0.11 0.06 -0.04 2.98 2.96 1v7yB1 TYR 1175 HD2 0.15 -0.04 -0.33 -0.04 7.15 6.90 1v7yB1 TYR 1175 HE2 0.07 -0.06 -0.21 -0.04 6.85 6.61 1v7yB1 LEU 1176 H -0.18 0.76 0.23 -0.55 8.37 8.64 1v7yB1 LEU 1176 HA 0.07 0.21 0.82 -0.75 4.35 4.70 1v7yB1 LEU 1176 HB2 -0.00 0.02 -0.13 -0.04 1.64 1.49 1v7yB1 LEU 1176 HB3 -0.05 -0.11 -0.05 -0.04 1.64 1.39 1v7yB1 LEU 1176 HG 0.02 0.07 -0.13 -0.04 1.64 1.56 1v7yB1 LEU 1176 HD13 0.03 0.02 -0.09 -0.04 0.93 0.85 1v7yB1 LEU 1176 HD23 -0.00 -0.01 -0.09 -0.04 0.89 0.74 1v7yB1 LEU 1177 H 0.14 0.54 0.17 -0.55 8.37 8.67 1v7yB1 LEU 1177 HA 0.22 -0.10 0.48 -0.75 4.35 4.19 1v7yB1 LEU 1177 HB2 0.16 -0.00 -0.05 -0.04 1.64 1.71 1v7yB1 LEU 1177 HB3 0.06 0.02 0.10 -0.04 1.64 1.78 1v7yB1 LEU 1177 HG -0.06 -0.04 -0.22 -0.04 1.64 1.28 1v7yB1 LEU 1177 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.82 1v7yB1 LEU 1177 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.70 1v7yB1 SER 1178 H 0.18 -0.05 0.17 -0.55 8.46 8.22 1v7yB1 SER 1178 HA 0.07 0.20 0.65 -0.75 4.49 4.66 1v7yB1 SER 1178 HB2 0.28 0.03 0.35 -0.04 3.95 4.58 1v7yB1 SER 1178 HB3 0.13 0.05 0.23 -0.04 3.93 4.30 1v7yB1 ARG 1179 H 0.21 0.20 0.09 -0.55 8.46 8.41 1v7yB1 ARG 1179 HA 0.03 0.21 0.92 -0.75 4.34 4.74 1v7yB1 ARG 1179 HB2 0.07 0.04 0.09 -0.04 1.90 2.06 1v7yB1 ARG 1179 HB3 0.06 0.05 0.03 -0.04 1.80 1.90 1v7yB1 ARG 1179 HG2 0.25 -0.02 0.19 -0.04 1.67 2.04 1v7yB1 ARG 1179 HG3 0.11 0.02 0.09 -0.04 1.67 1.85 1v7yB1 ARG 1179 HD2 0.08 0.04 0.03 -0.04 3.22 3.33 1v7yB1 ARG 1179 HD3 0.14 -0.21 0.15 -0.04 3.22 3.26 1v7yB1 ALA 1180 H -0.07 0.22 -0.10 -0.55 8.40 7.90 1v7yB1 ALA 1180 HA -0.17 0.23 0.62 -0.75 4.34 4.27 1v7yB1 ALA 1180 HB3 -0.49 0.01 -0.08 -0.04 1.41 0.81 1v7yB1 ALA 1189 HA -0.02 -0.03 0.13 -0.75 4.34 3.67 1v7yB1 ALA 1189 HB3 -0.02 -0.04 0.06 -0.04 1.41 1.37 1v7yB1 ALA 1190 H -0.03 0.04 -0.05 -0.55 8.40 7.81 1v7yB1 ALA 1190 HA -0.01 0.13 0.07 -0.75 4.34 3.78 1v7yB1 ALA 1190 HB3 -0.01 0.06 0.02 -0.04 1.41 1.44 1v7yB1 LEU 1191 H -0.05 0.29 0.23 -0.55 8.37 8.30 1v7yB1 LEU 1191 HA -0.08 0.05 0.48 -0.75 4.35 4.05 1v7yB1 LEU 1191 HB2 -0.09 0.03 0.04 -0.04 1.64 1.58 1v7yB1 LEU 1191 HB3 -0.30 -0.00 0.15 -0.04 1.64 1.45 1v7yB1 LEU 1191 HG -0.15 -0.10 0.06 -0.04 1.64 1.41 1v7yB1 LEU 1191 HD13 -0.06 0.05 0.05 -0.04 0.93 0.93 1v7yB1 LEU 1191 HD23 -0.58 -0.00 0.01 -0.04 0.89 0.27 1v7yB1 PRO 1192 HA 0.01 0.12 0.58 -0.51 4.44 4.64 1v7yB1 PRO 1192 HB2 0.04 -0.11 0.13 -0.04 2.28 2.30 1v7yB1 PRO 1192 HB3 0.02 0.07 0.14 -0.04 2.02 2.21 1v7yB1 PRO 1192 HG2 0.01 0.06 0.11 -0.04 2.03 2.16 1v7yB1 PRO 1192 HG3 -0.00 0.10 0.10 -0.04 2.03 2.19 1v7yB1 PRO 1192 HD2 -0.03 0.06 0.25 -0.04 3.68 3.91 1v7yB1 PRO 1192 HD3 -0.06 0.14 0.25 -0.04 3.65 3.95 1v7yB1 LEU 1193 H 0.02 0.19 0.20 -0.55 8.37 8.24 1v7yB1 LEU 1193 HA 0.03 0.08 0.34 -0.75 4.35 4.05 1v7yB1 LEU 1193 HB2 0.02 -0.02 0.12 -0.04 1.64 1.72 1v7yB1 LEU 1193 HB3 0.01 0.07 0.03 -0.04 1.64 1.71 1v7yB1 LEU 1193 HG 0.02 -0.01 0.03 -0.04 1.64 1.65 1v7yB1 LEU 1193 HD13 0.02 0.02 0.02 -0.04 0.93 0.95 1v7yB1 LEU 1193 HD23 0.03 -0.01 0.10 -0.04 0.89 0.97 1v7yB1 ASN 1194 H 0.03 -0.01 -0.36 -0.55 8.53 7.64 1v7yB1 ASN 1194 HA 0.00 0.40 0.47 -0.75 4.76 4.87 1v7yB1 ASN 1194 HB2 0.03 -0.07 0.01 -0.04 2.88 2.82 1v7yB1 ASN 1194 HB3 0.01 0.10 0.07 -0.04 2.79 2.92 1v7yB1 ASN 1194 HD21 0.01 -0.02 0.00 -0.04 7.03 6.98 1v7yB1 ASN 1194 HD22 0.00 0.12 0.04 -0.04 7.74 7.86 1v7yB1 HIS 1195 H 0.12 0.38 -0.19 -0.55 8.41 8.18 1v7yB1 HIS 1195 HA -0.03 0.07 0.50 -0.75 4.63 4.42 1v7yB1 HIS 1195 HB2 -0.01 -0.06 0.11 -0.04 3.26 3.27 1v7yB1 HIS 1195 HB3 -0.01 0.13 0.11 -0.04 3.20 3.37 1v7yB1 HIS 1195 HD2 -0.02 -0.00 0.03 -0.04 6.97 6.93 1v7yB1 HIS 1195 HE1 -0.02 -0.02 -0.05 -0.04 7.75 7.61 1v7yB1 LEU 1196 H 0.10 0.32 -0.15 -0.55 8.37 8.10 1v7yB1 LEU 1196 HA 0.08 0.01 0.41 -0.75 4.35 4.09 1v7yB1 LEU 1196 HB2 0.04 0.09 0.10 -0.04 1.64 1.83 1v7yB1 LEU 1196 HB3 0.03 -0.00 -0.10 -0.04 1.64 1.53 1v7yB1 LEU 1196 HG 0.09 -0.03 -0.10 -0.04 1.64 1.56 1v7yB1 LEU 1196 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 1v7yB1 LEU 1196 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 1v7yB1 VAL 1197 H -0.01 0.57 -0.07 -0.55 8.24 8.18 1v7yB1 VAL 1197 HA -0.03 -0.00 0.29 -0.75 4.13 3.63 1v7yB1 VAL 1197 HB -0.04 0.05 -0.05 -0.04 2.12 2.04 1v7yB1 VAL 1197 HG13 -0.02 0.06 -0.09 -0.04 0.97 0.88 1v7yB1 VAL 1197 HG23 -0.04 0.09 0.01 -0.04 0.95 0.97 1v7yB1 ALA 1198 H -0.10 0.27 -0.51 -0.55 8.40 7.51 1v7yB1 ALA 1198 HA -0.11 0.08 0.41 -0.75 4.34 3.97 1v7yB1 ALA 1198 HB3 -0.17 0.04 0.10 -0.04 1.41 1.34 1v7yB1 LYS 1199 H -0.20 0.41 -0.06 -0.55 8.42 8.01 1v7yB1 LYS 1199 HA -0.41 0.00 0.41 -0.75 4.32 3.57 1v7yB1 LYS 1199 HB2 -0.12 0.11 0.12 -0.04 1.87 1.94 1v7yB1 LYS 1199 HB3 -0.28 -0.07 -0.02 -0.04 1.79 1.39 1v7yB1 LYS 1199 HG2 -0.36 0.23 0.09 -0.04 1.46 1.38 1v7yB1 LYS 1199 HG3 -0.02 -0.08 -0.01 -0.04 1.46 1.31 1v7yB1 LYS 1199 HD2 -0.30 0.01 -0.04 -0.04 1.69 1.33 1v7yB1 LYS 1199 HD3 -0.19 -0.03 -0.01 -0.04 1.68 1.40 1v7yB1 LYS 1199 HE2 -0.01 -0.07 -0.01 -0.04 2.99 2.86 1v7yB1 LYS 1199 HE3 -0.47 0.03 0.01 -0.04 2.99 2.52 1v7yB1 LEU 1200 H -0.11 0.56 -0.22 -0.55 8.37 8.05 1v7yB1 LEU 1200 HA -0.01 0.02 0.34 -0.75 4.35 3.94 1v7yB1 LEU 1200 HB2 -0.04 0.14 0.05 -0.04 1.64 1.75 1v7yB1 LEU 1200 HB3 -0.01 0.05 -0.11 -0.04 1.64 1.53 1v7yB1 LEU 1200 HG -0.01 0.07 -0.07 -0.04 1.64 1.59 1v7yB1 LEU 1200 HD13 0.01 -0.02 -0.19 -0.04 0.93 0.69 1v7yB1 LEU 1200 HD23 0.05 -0.01 -0.11 -0.04 0.89 0.77 1v7yB1 LYS 1201 H -0.10 0.50 -0.20 -0.55 8.42 8.06 1v7yB1 LYS 1201 HA -0.04 0.08 0.37 -0.75 4.32 3.98 1v7yB1 LYS 1201 HB2 -0.06 0.09 0.11 -0.04 1.87 1.97 1v7yB1 LYS 1201 HB3 -0.08 0.05 0.13 -0.04 1.79 1.85 1v7yB1 LYS 1201 HG2 -0.04 -0.04 -0.13 -0.04 1.46 1.21 1v7yB1 LYS 1201 HG3 -0.04 0.01 0.05 -0.04 1.46 1.44 1v7yB1 LYS 1201 HD2 -0.05 0.05 0.00 -0.04 1.69 1.66 1v7yB1 LYS 1201 HD3 -0.05 -0.04 -0.01 -0.04 1.68 1.54 1v7yB1 LYS 1201 HE2 -0.03 -0.05 -0.01 -0.04 2.99 2.86 1v7yB1 LYS 1201 HE3 -0.03 0.02 0.00 -0.04 2.99 2.94 1v7yB1 GLU 1202 H -0.19 0.47 -0.21 -0.55 8.60 8.13 1v7yB1 GLU 1202 HA -0.07 0.02 0.46 -0.75 4.29 3.94 1v7yB1 GLU 1202 HB2 -0.18 -0.03 0.10 -0.04 2.09 1.94 1v7yB1 GLU 1202 HB3 -0.44 0.09 0.17 -0.04 1.99 1.77 1v7yB1 GLU 1202 HG2 -0.08 0.04 -0.30 -0.04 2.34 1.96 1v7yB1 GLU 1202 HG3 -0.05 -0.04 0.02 -0.04 2.34 2.23 1v7yB1 TYR 1203 H -0.15 0.44 -0.30 -0.55 8.29 7.72 1v7yB1 TYR 1203 HA -0.02 0.04 0.55 -0.75 4.56 4.38 1v7yB1 TYR 1203 HB2 -0.03 0.08 0.02 -0.04 3.06 3.09 1v7yB1 TYR 1203 HB3 -0.03 -0.04 0.08 -0.04 2.98 2.95 1v7yB1 TYR 1203 HD2 -0.03 0.06 -0.26 -0.04 7.15 6.88 1v7yB1 TYR 1203 HE2 -0.02 -0.07 -0.08 -0.04 6.85 6.64 1v7yB1 ASN 1204 H 0.04 0.25 -0.84 -0.55 8.53 7.44 1v7yB1 ASN 1204 HA 0.02 0.06 0.29 -0.75 4.76 4.38 1v7yB1 ASN 1204 HB2 0.05 0.02 -0.40 -0.04 2.88 2.51 1v7yB1 ASN 1204 HB3 0.04 -0.04 0.20 -0.04 2.79 2.95 1v7yB1 ASN 1204 HD21 0.02 -0.08 0.00 -0.04 7.03 6.94 1v7yB1 ASN 1204 HD22 0.03 -0.02 0.01 -0.04 7.74 7.72 1v7yB1 ALA 1205 H 0.03 0.47 -0.09 -0.55 8.40 8.28 1v7yB1 ALA 1205 HA 0.05 0.30 0.62 -0.75 4.34 4.55 1v7yB1 ALA 1205 HB3 0.05 -0.07 -0.04 -0.04 1.41 1.30 1v7yB1 ALA 1206 H 0.04 0.12 -0.09 -0.55 8.40 7.92 1v7yB1 ALA 1206 HA 0.03 0.11 0.27 -0.75 4.34 3.99 1v7yB1 ALA 1206 HB3 0.05 0.03 -0.55 -0.04 1.41 0.90 1v7yB1 PRO 1207 HA -0.16 0.12 0.38 -0.51 4.44 4.27 1v7yB1 PRO 1207 HB2 -1.11 -0.03 0.07 -0.04 2.28 1.17 1v7yB1 PRO 1207 HB3 -0.76 0.05 0.09 -0.04 2.02 1.36 1v7yB1 PRO 1207 HG2 -0.46 0.00 0.07 -0.04 2.03 1.60 1v7yB1 PRO 1207 HG3 -0.24 0.07 0.07 -0.04 2.03 1.89 1v7yB1 PRO 1207 HD2 0.09 0.27 0.15 -0.04 3.68 4.15 1v7yB1 PRO 1207 HD3 0.00 0.13 0.13 -0.04 3.65 3.87 1v7yB1 PRO 1208 HA 0.07 0.24 0.90 -0.51 4.44 5.14 1v7yB1 PRO 1208 HB2 -0.01 -0.07 -0.07 -0.04 2.28 2.09 1v7yB1 PRO 1208 HB3 0.00 0.05 -0.03 -0.04 2.02 2.00 1v7yB1 PRO 1208 HG2 -0.05 -0.11 0.16 -0.04 2.03 1.98 1v7yB1 PRO 1208 HG3 -0.04 0.04 0.02 -0.04 2.03 2.01 1v7yB1 PRO 1208 HD2 -0.12 0.13 0.22 -0.04 3.68 3.87 1v7yB1 PRO 1208 HD3 -0.06 0.26 0.06 -0.04 3.65 3.86 1v7yB1 LEU 1209 H 0.07 0.60 0.29 -0.55 8.37 8.78 1v7yB1 LEU 1209 HA -0.04 0.20 0.87 -0.75 4.35 4.63 1v7yB1 LEU 1209 HB2 -0.12 -0.05 -0.05 -0.04 1.64 1.38 1v7yB1 LEU 1209 HB3 -0.13 0.02 -0.28 -0.04 1.64 1.20 1v7yB1 LEU 1209 HG 0.07 0.04 -0.46 -0.04 1.64 1.25 1v7yB1 LEU 1209 HD13 -0.61 -0.00 -0.27 -0.04 0.93 0.01 1v7yB1 LEU 1209 HD23 0.08 0.01 -0.28 -0.04 0.89 0.66 1v7yB1 GLN 1210 H -0.06 0.46 0.28 -0.55 8.47 8.60 1v7yB1 GLN 1210 HA -0.13 0.30 0.71 -0.75 4.36 4.48 1v7yB1 GLN 1210 HB2 -0.03 0.10 0.22 -0.04 2.15 2.41 1v7yB1 GLN 1210 HB3 -0.02 -0.11 -0.02 -0.04 2.02 1.82 1v7yB1 GLN 1210 HG2 -0.02 0.10 -0.00 -0.04 2.40 2.44 1v7yB1 GLN 1210 HG3 -0.01 0.05 0.02 -0.04 2.39 2.41 1v7yB1 GLN 1210 HE21 0.02 -0.03 -0.01 -0.04 6.97 6.92 1v7yB1 GLN 1210 HE22 0.01 0.04 0.02 -0.04 7.69 7.71 1v7yB1 GLY 1211 H -0.17 0.26 0.26 -0.55 8.43 8.24 1v7yB1 GLY 1211 HA2 -0.07 0.26 1.06 -0.51 4.01 4.76 1v7yB1 GLY 1211 HA3 -0.28 0.04 0.20 -0.51 4.01 3.46 1v7yB1 PHE 1212 H 0.17 0.12 0.17 -0.55 8.34 8.25 1v7yB1 PHE 1212 HA 0.06 0.25 1.25 -0.75 4.62 5.43 1v7yB1 PHE 1212 HB2 0.12 0.04 -0.03 -0.04 3.15 3.24 1v7yB1 PHE 1212 HB3 0.06 -0.21 0.19 -0.04 3.06 3.07 1v7yB1 PHE 1212 HD2 0.03 -0.03 -0.10 -0.04 7.28 7.14 1v7yB1 PHE 1212 HE2 0.01 0.07 -0.02 -0.04 7.38 7.40 1v7yB1 PHE 1212 HZ 0.01 0.03 -0.02 -0.04 7.32 7.30 1v7yB1 GLY 1213 H -0.40 0.14 0.14 -0.55 8.43 7.76 1v7yB1 GLY 1213 HA2 -0.31 -0.01 0.30 -0.51 4.01 3.49 1v7yB1 GLY 1213 HA3 -0.21 0.16 0.53 -0.51 4.01 3.98 1v7yB1 ILE 1214 H -0.03 0.16 -0.17 -0.55 8.25 7.66 1v7yB1 ILE 1214 HA 0.02 0.11 0.74 -0.75 4.18 4.30 1v7yB1 ILE 1214 HB 0.05 0.22 0.05 -0.04 1.89 2.17 1v7yB1 ILE 1214 HG12 0.03 0.06 -0.18 -0.04 1.49 1.35 1v7yB1 ILE 1214 HG13 0.03 -0.07 -0.40 -0.04 1.21 0.72 1v7yB1 ILE 1214 HG23 0.08 -0.01 -0.27 -0.04 0.93 0.69 1v7yB1 ILE 1214 HD13 0.02 0.02 -0.18 -0.04 0.88 0.69 1v7yB1 SER 1215 H 0.04 0.21 0.10 -0.55 8.46 8.27 1v7yB1 SER 1215 HA 0.21 0.21 0.87 -0.75 4.49 5.02 1v7yB1 SER 1215 HB2 0.12 0.04 0.13 -0.04 3.95 4.19 1v7yB1 SER 1215 HB3 0.04 -0.14 -0.14 -0.04 3.93 3.65 1v7yB1 ALA 1216 H 0.04 0.08 0.08 -0.55 8.40 8.05 1v7yB1 ALA 1216 HA -0.01 0.35 0.89 -0.75 4.34 4.83 1v7yB1 ALA 1216 HB3 0.01 0.01 0.03 -0.04 1.41 1.42 1v7yB1 PRO 1217 HA -0.13 0.15 0.42 -0.51 4.44 4.37 1v7yB1 PRO 1217 HB2 -0.11 0.11 -0.05 -0.04 2.28 2.20 1v7yB1 PRO 1217 HB3 -0.20 0.10 -0.24 -0.04 2.02 1.64 1v7yB1 PRO 1217 HG2 -0.07 -0.05 0.09 -0.04 2.03 1.96 1v7yB1 PRO 1217 HG3 -0.11 0.12 0.04 -0.04 2.03 2.04 1v7yB1 PRO 1217 HD2 -0.06 0.08 0.25 -0.04 3.68 3.91 1v7yB1 PRO 1217 HD3 -0.20 0.24 0.12 -0.04 3.65 3.77 1v7yB1 ASP 1218 H -0.04 0.12 -0.18 -0.55 8.40 7.75 1v7yB1 ASP 1218 HA -0.03 0.18 0.44 -0.75 4.63 4.47 1v7yB1 ASP 1218 HB2 -0.01 0.05 0.04 -0.04 2.71 2.74 1v7yB1 ASP 1218 HB3 -0.02 0.06 0.07 -0.04 2.70 2.77 1v7yB1 GLN 1219 H -0.01 0.13 -0.41 -0.55 8.47 7.64 1v7yB1 GLN 1219 HA 0.01 0.09 0.47 -0.75 4.36 4.18 1v7yB1 GLN 1219 HB2 0.02 0.05 0.11 -0.04 2.15 2.28 1v7yB1 GLN 1219 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 1v7yB1 GLN 1219 HG2 0.01 0.06 0.01 -0.04 2.40 2.43 1v7yB1 GLN 1219 HG3 0.01 -0.09 0.07 -0.04 2.39 2.33 1v7yB1 GLN 1219 HE21 0.01 0.27 0.17 -0.04 6.97 7.37 1v7yB1 GLN 1219 HE22 0.02 -0.01 0.05 -0.04 7.69 7.71 1v7yB1 VAL 1220 H -0.01 0.32 -0.15 -0.55 8.24 7.85 1v7yB1 VAL 1220 HA 0.03 -0.01 0.36 -0.75 4.13 3.76 1v7yB1 VAL 1220 HB -0.04 0.16 0.08 -0.04 2.12 2.28 1v7yB1 VAL 1220 HG13 0.04 0.05 -0.27 -0.04 0.97 0.76 1v7yB1 VAL 1220 HG23 0.02 0.00 -0.13 -0.04 0.95 0.80 1v7yB1 LYS 1221 H -0.02 0.42 -0.17 -0.55 8.42 8.10 1v7yB1 LYS 1221 HA -0.01 0.28 0.37 -0.75 4.32 4.20 1v7yB1 LYS 1221 HB2 -0.03 0.07 0.17 -0.04 1.87 2.04 1v7yB1 LYS 1221 HB3 -0.02 -0.02 0.13 -0.04 1.79 1.85 1v7yB1 LYS 1221 HG2 -0.01 -0.08 -0.14 -0.04 1.46 1.19 1v7yB1 LYS 1221 HG3 -0.01 0.19 0.07 -0.04 1.46 1.66 1v7yB1 LYS 1221 HD2 -0.02 -0.02 0.01 -0.04 1.69 1.62 1v7yB1 LYS 1221 HD3 -0.01 -0.08 -0.01 -0.04 1.68 1.53 1v7yB1 LYS 1221 HE2 -0.01 0.10 0.00 -0.04 2.99 3.04 1v7yB1 LYS 1221 HE3 -0.01 -0.07 -0.01 -0.04 2.99 2.86 1v7yB1 ALA 1222 H -0.00 0.32 -0.29 -0.55 8.40 7.88 1v7yB1 ALA 1222 HA -0.00 0.03 0.38 -0.75 4.34 3.99 1v7yB1 ALA 1222 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 1v7yB1 ALA 1223 H 0.01 0.43 -0.26 -0.55 8.40 8.03 1v7yB1 ALA 1223 HA 0.01 -0.08 0.34 -0.75 4.34 3.86 1v7yB1 ALA 1223 HB3 0.01 0.04 0.07 -0.04 1.41 1.49 1v7yB1 ILE 1224 H 0.01 0.46 -0.30 -0.55 8.25 7.87 1v7yB1 ILE 1224 HA -0.00 0.19 0.31 -0.75 4.18 3.93 1v7yB1 ILE 1224 HB 0.00 0.12 0.06 -0.04 1.89 2.03 1v7yB1 ILE 1224 HG12 0.02 -0.00 -0.22 -0.04 1.49 1.25 1v7yB1 ILE 1224 HG13 0.02 -0.06 -0.11 -0.04 1.21 1.01 1v7yB1 ILE 1224 HG23 0.00 0.03 -0.17 -0.04 0.93 0.76 1v7yB1 ILE 1224 HD13 0.02 0.03 -0.12 -0.04 0.88 0.77 1v7yB1 ASP 1225 H -0.00 0.47 -0.10 -0.55 8.40 8.22 1v7yB1 ASP 1225 HA -0.01 0.09 0.47 -0.75 4.63 4.43 1v7yB1 ASP 1225 HB2 -0.00 0.01 0.15 -0.04 2.71 2.82 1v7yB1 ASP 1225 HB3 -0.00 -0.09 0.02 -0.04 2.70 2.59 1v7yB1 ALA 1226 H -0.00 0.57 -0.22 -0.55 8.40 8.20 1v7yB1 ALA 1226 HA -0.00 -0.04 0.39 -0.75 4.34 3.94 1v7yB1 ALA 1226 HB3 0.00 -0.03 0.04 -0.04 1.41 1.38 1v7yB1 GLY 1227 H -0.01 0.37 -0.97 -0.55 8.43 7.27 1v7yB1 GLY 1227 HA2 -0.02 0.07 0.26 -0.51 4.01 3.81 1v7yB1 GLY 1227 HA3 -0.03 0.06 0.78 -0.51 4.01 4.31 1v7yB1 ALA 1228 H -0.02 0.26 -0.08 -0.55 8.40 8.01 1v7yB1 ALA 1228 HA -0.04 0.00 0.39 -0.75 4.34 3.94 1v7yB1 ALA 1228 HB3 -0.02 -0.05 -0.03 -0.04 1.41 1.27 1v7yB1 ALA 1229 H -0.07 0.60 0.37 -0.55 8.40 8.76 1v7yB1 ALA 1229 HA -0.05 0.21 0.73 -0.75 4.34 4.47 1v7yB1 ALA 1229 HB3 -0.27 0.00 0.08 -0.04 1.41 1.19 1v7yB1 GLY 1230 H -0.01 0.17 0.15 -0.55 8.43 8.20 1v7yB1 GLY 1230 HA2 0.05 0.11 0.47 -0.51 4.01 4.14 1v7yB1 GLY 1230 HA3 0.07 0.04 0.42 -0.51 4.01 4.02 1v7yB1 ALA 1231 H 0.06 0.71 0.38 -0.55 8.40 8.99 1v7yB1 ALA 1231 HA -0.02 0.21 1.02 -0.75 4.34 4.80 1v7yB1 ALA 1231 HB3 0.08 -0.01 -0.05 -0.04 1.41 1.40 1v7yB1 ILE 1232 H -0.03 0.47 0.31 -0.55 8.25 8.44 1v7yB1 ILE 1232 HA -0.12 0.45 1.03 -0.75 4.18 4.77 1v7yB1 ILE 1232 HB -0.03 -0.13 0.10 -0.04 1.89 1.79 1v7yB1 ILE 1232 HG12 -0.11 0.10 -0.25 -0.04 1.49 1.19 1v7yB1 ILE 1232 HG13 -0.13 -0.03 -0.41 -0.04 1.21 0.59 1v7yB1 ILE 1232 HG23 0.06 0.03 -0.17 -0.04 0.93 0.81 1v7yB1 ILE 1232 HD13 -0.12 -0.03 -0.26 -0.04 0.88 0.42 1v7yB1 SER 1233 H -0.04 0.46 0.19 -0.55 8.46 8.52 1v7yB1 SER 1233 HA 0.08 0.08 1.00 -0.75 4.49 4.89 1v7yB1 SER 1233 HB2 0.36 -0.00 0.00 -0.04 3.95 4.27 1v7yB1 SER 1233 HB3 0.27 -0.12 0.02 -0.04 3.93 4.05 1v7yB1 GLY 1234 H 0.02 0.02 0.14 -0.55 8.43 8.07 1v7yB1 GLY 1234 HA2 0.22 0.40 1.05 -0.51 4.01 5.18 1v7yB1 GLY 1234 HA3 0.00 0.05 0.32 -0.51 4.01 3.87 1v7yB1 SER 1235 H -0.05 0.14 0.17 -0.55 8.46 8.17 1v7yB1 SER 1235 HA -0.01 0.07 0.40 -0.75 4.49 4.20 1v7yB1 SER 1235 HB2 -0.06 -0.04 0.13 -0.04 3.95 3.93 1v7yB1 SER 1235 HB3 -0.04 0.08 -0.01 -0.04 3.93 3.92 1v7yB1 ALA 1236 H -0.01 0.09 -0.17 -0.55 8.40 7.76 1v7yB1 ALA 1236 HA -0.13 0.06 0.38 -0.75 4.34 3.89 1v7yB1 ALA 1236 HB3 -0.08 0.03 0.05 -0.04 1.41 1.38 1v7yB1 ILE 1237 H -0.07 0.28 -0.39 -0.55 8.25 7.53 1v7yB1 ILE 1237 HA -0.29 0.12 0.57 -0.75 4.18 3.83 1v7yB1 ILE 1237 HB 0.04 0.20 0.17 -0.04 1.89 2.26 1v7yB1 ILE 1237 HG12 0.08 0.03 -0.05 -0.04 1.49 1.51 1v7yB1 ILE 1237 HG13 0.08 -0.16 -0.14 -0.04 1.21 0.95 1v7yB1 ILE 1237 HG23 -0.00 -0.01 -0.06 -0.04 0.93 0.82 1v7yB1 ILE 1237 HD13 0.23 0.05 0.04 -0.04 0.88 1.16 1v7yB1 VAL 1238 H -0.01 0.36 -0.00 -0.55 8.24 8.03 1v7yB1 VAL 1238 HA 0.00 0.05 0.43 -0.75 4.13 3.86 1v7yB1 VAL 1238 HB 0.01 0.05 0.15 -0.04 2.12 2.29 1v7yB1 VAL 1238 HG13 0.03 -0.01 -0.05 -0.04 0.97 0.89 1v7yB1 VAL 1238 HG23 0.10 0.08 -0.06 -0.04 0.95 1.02 1v7yB1 LYS 1239 H -0.05 0.62 -0.02 -0.55 8.42 8.42 1v7yB1 LYS 1239 HA -0.01 -0.01 0.33 -0.75 4.32 3.88 1v7yB1 LYS 1239 HB2 -0.08 0.13 0.07 -0.04 1.87 1.95 1v7yB1 LYS 1239 HB3 -0.03 0.00 -0.05 -0.04 1.79 1.68 1v7yB1 LYS 1239 HG2 -0.02 -0.05 0.04 -0.04 1.46 1.38 1v7yB1 LYS 1239 HG3 -0.04 -0.02 -0.05 -0.04 1.46 1.31 1v7yB1 LYS 1239 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.63 1v7yB1 LYS 1239 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.58 1v7yB1 LYS 1239 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1v7yB1 LYS 1239 HE3 -0.02 0.04 -0.04 -0.04 2.99 2.93 1v7yB1 ILE 1240 H -0.11 0.31 -0.41 -0.55 8.25 7.50 1v7yB1 ILE 1240 HA 0.05 0.01 0.32 -0.75 4.18 3.81 1v7yB1 ILE 1240 HB -0.13 0.16 0.06 -0.04 1.89 1.93 1v7yB1 ILE 1240 HG12 -0.10 -0.07 0.00 -0.04 1.49 1.28 1v7yB1 ILE 1240 HG13 -0.25 0.22 0.14 -0.04 1.21 1.27 1v7yB1 ILE 1240 HG23 -0.17 -0.01 -0.17 -0.04 0.93 0.54 1v7yB1 ILE 1240 HD13 -0.30 -0.00 -0.04 -0.04 0.88 0.49 1v7yB1 ILE 1241 H -0.03 0.39 -0.31 -0.55 8.25 7.75 1v7yB1 ILE 1241 HA 0.00 0.04 0.37 -0.75 4.18 3.84 1v7yB1 ILE 1241 HB -0.00 0.12 0.19 -0.04 1.89 2.16 1v7yB1 ILE 1241 HG12 -0.02 -0.05 -0.01 -0.04 1.49 1.37 1v7yB1 ILE 1241 HG13 -0.03 0.35 0.11 -0.04 1.21 1.60 1v7yB1 ILE 1241 HG23 0.00 -0.03 -0.18 -0.04 0.93 0.68 1v7yB1 ILE 1241 HD13 -0.02 -0.03 -0.04 -0.04 0.88 0.75 1v7yB1 GLU 1242 H 0.02 0.51 -0.07 -0.55 8.60 8.52 1v7yB1 GLU 1242 HA 0.02 0.05 0.61 -0.75 4.29 4.22 1v7yB1 GLU 1242 HB2 0.01 -0.04 0.10 -0.04 2.09 2.12 1v7yB1 GLU 1242 HB3 0.01 -0.03 0.05 -0.04 1.99 1.98 1v7yB1 GLU 1242 HG2 0.01 0.17 0.13 -0.04 2.34 2.60 1v7yB1 GLU 1242 HG3 0.01 0.01 -0.12 -0.04 2.34 2.20 1v7yB1 GLN 1243 H 0.09 0.48 -0.27 -0.55 8.47 8.22 1v7yB1 GLN 1243 HA -0.04 0.07 0.61 -0.75 4.36 4.24 1v7yB1 GLN 1243 HB2 0.18 0.09 0.05 -0.04 2.15 2.43 1v7yB1 GLN 1243 HB3 -0.11 -0.06 0.11 -0.04 2.02 1.92 1v7yB1 GLN 1243 HG2 -0.01 -0.06 -0.01 -0.04 2.40 2.28 1v7yB1 GLN 1243 HG3 0.02 0.23 0.00 -0.04 2.39 2.60 1v7yB1 GLN 1243 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.88 1v7yB1 GLN 1243 HE22 -0.00 -0.03 -0.04 -0.04 7.69 7.57 1v7yB1 HIS 1244 H 0.14 0.26 -0.62 -0.55 8.41 7.64 1v7yB1 HIS 1244 HA -0.00 0.12 0.59 -0.75 4.63 4.58 1v7yB1 HIS 1244 HB2 -0.01 0.11 0.00 -0.04 3.26 3.33 1v7yB1 HIS 1244 HB3 -0.00 -0.07 0.08 -0.04 3.20 3.17 1v7yB1 HIS 1244 HD2 -0.00 -0.11 -0.12 -0.04 6.97 6.69 1v7yB1 HIS 1244 HE1 -0.01 -0.04 -0.07 -0.04 7.75 7.58 1v7yB1 ILE 1245 H 0.03 0.26 -0.20 -0.55 8.25 7.79 1v7yB1 ILE 1245 HA 0.03 0.12 0.39 -0.75 4.18 3.97 1v7yB1 ILE 1245 HB 0.02 0.07 0.20 -0.04 1.89 2.13 1v7yB1 ILE 1245 HG12 0.01 -0.03 -0.06 -0.04 1.49 1.37 1v7yB1 ILE 1245 HG13 0.01 -0.02 0.12 -0.04 1.21 1.28 1v7yB1 ILE 1245 HG23 0.00 0.00 -0.06 -0.04 0.93 0.83 1v7yB1 ILE 1245 HD13 0.01 -0.00 0.03 -0.04 0.88 0.87 1v7yB1 ASN 1246 H 0.01 0.11 -0.43 -0.55 8.53 7.68 1v7yB1 ASN 1246 HA 0.01 0.18 0.83 -0.75 4.76 5.03 1v7yB1 ASN 1246 HB2 0.01 -0.00 0.18 -0.04 2.88 3.03 1v7yB1 ASN 1246 HB3 0.01 0.01 0.00 -0.04 2.79 2.76 1v7yB1 ASN 1246 HD21 -0.01 0.02 -0.01 -0.04 7.03 6.98 1v7yB1 ASN 1246 HD22 -0.00 -0.01 0.06 -0.04 7.74 7.74 1v7yB1 GLU 1247 H 0.04 0.48 -0.51 -0.55 8.60 8.06 1v7yB1 GLU 1247 HA 0.03 0.06 0.49 -0.75 4.29 4.12 1v7yB1 GLU 1247 HB2 0.11 0.06 0.02 -0.04 2.09 2.24 1v7yB1 GLU 1247 HB3 0.09 -0.17 0.18 -0.04 1.99 2.04 1v7yB1 GLU 1247 HG2 0.02 0.00 0.14 -0.04 2.34 2.47 1v7yB1 GLU 1247 HG3 0.01 0.11 -0.43 -0.04 2.34 1.99 1v7yB1 PRO 1248 HA 0.02 0.13 0.46 -0.51 4.44 4.53 1v7yB1 PRO 1248 HB2 0.01 0.05 0.01 -0.04 2.28 2.31 1v7yB1 PRO 1248 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 1v7yB1 PRO 1248 HG2 0.01 -0.10 0.11 -0.04 2.03 2.00 1v7yB1 PRO 1248 HG3 0.01 0.09 0.07 -0.04 2.03 2.16 1v7yB1 PRO 1248 HD2 0.02 0.15 0.05 -0.04 3.68 3.85 1v7yB1 PRO 1248 HD3 0.02 0.21 0.10 -0.04 3.65 3.93 1v7yB1 GLU 1249 H 0.02 0.14 -0.11 -0.55 8.60 8.10 1v7yB1 GLU 1249 HA 0.00 0.10 0.43 -0.75 4.29 4.08 1v7yB1 GLU 1249 HB2 0.01 0.03 0.09 -0.04 2.09 2.18 1v7yB1 GLU 1249 HB3 0.02 -0.03 0.08 -0.04 1.99 2.01 1v7yB1 GLU 1249 HG2 0.01 0.02 -0.26 -0.04 2.34 2.06 1v7yB1 GLU 1249 HG3 0.01 0.03 0.02 -0.04 2.34 2.35 1v7yB1 LYS 1250 H 0.03 0.10 -0.21 -0.55 8.42 7.80 1v7yB1 LYS 1250 HA 0.01 0.06 0.47 -0.75 4.32 4.11 1v7yB1 LYS 1250 HB2 0.07 -0.05 0.09 -0.04 1.87 1.94 1v7yB1 LYS 1250 HB3 0.14 0.13 0.10 -0.04 1.79 2.12 1v7yB1 LYS 1250 HG2 0.20 0.02 0.00 -0.04 1.46 1.65 1v7yB1 LYS 1250 HG3 0.19 0.02 -0.08 -0.04 1.46 1.55 1v7yB1 LYS 1250 HD2 0.08 0.02 0.02 -0.04 1.69 1.77 1v7yB1 LYS 1250 HD3 0.03 -0.04 0.10 -0.04 1.68 1.73 1v7yB1 LYS 1250 HE2 0.04 -0.05 0.01 -0.04 2.99 2.95 1v7yB1 LYS 1250 HE3 0.05 0.02 0.01 -0.04 2.99 3.03 1v7yB1 MET 1251 H 0.01 0.44 -0.20 -0.55 8.47 8.17 1v7yB1 MET 1251 HA -0.31 0.07 0.41 -0.75 4.52 3.94 1v7yB1 MET 1251 HB2 0.04 0.17 0.03 -0.04 2.15 2.34 1v7yB1 MET 1251 HB3 -0.01 0.05 0.14 -0.04 2.03 2.16 1v7yB1 MET 1251 HG2 -0.07 -0.07 -0.16 -0.04 2.63 2.29 1v7yB1 MET 1251 HG3 -0.01 0.11 -0.03 -0.04 2.56 2.58 1v7yB1 MET 1251 HE3 0.03 -0.00 -0.09 -0.04 2.10 1.99 1v7yB1 LEU 1252 H -0.03 0.49 -0.08 -0.55 8.37 8.21 1v7yB1 LEU 1252 HA -0.03 0.04 0.41 -0.75 4.35 4.01 1v7yB1 LEU 1252 HB2 -0.01 0.10 0.13 -0.04 1.64 1.81 1v7yB1 LEU 1252 HB3 -0.01 -0.01 0.04 -0.04 1.64 1.62 1v7yB1 LEU 1252 HG -0.01 0.21 0.11 -0.04 1.64 1.91 1v7yB1 LEU 1252 HD13 -0.00 -0.02 -0.02 -0.04 0.93 0.84 1v7yB1 LEU 1252 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.71 1v7yB1 ALA 1253 H -0.03 0.33 -0.24 -0.55 8.40 7.91 1v7yB1 ALA 1253 HA -0.01 0.06 0.48 -0.75 4.34 4.11 1v7yB1 ALA 1253 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 1v7yB1 ALA 1254 H -0.12 0.49 -0.23 -0.55 8.40 8.00 1v7yB1 ALA 1254 HA -0.04 0.01 0.44 -0.75 4.34 4.00 1v7yB1 ALA 1254 HB3 -0.28 0.03 0.09 -0.04 1.41 1.21 1v7yB1 LEU 1255 H -0.06 0.41 -0.27 -0.55 8.37 7.90 1v7yB1 LEU 1255 HA 0.03 0.01 0.44 -0.75 4.35 4.08 1v7yB1 LEU 1255 HB2 -0.01 0.11 0.18 -0.04 1.64 1.88 1v7yB1 LEU 1255 HB3 0.03 -0.01 -0.08 -0.04 1.64 1.54 1v7yB1 LEU 1255 HG -0.00 -0.02 0.00 -0.04 1.64 1.58 1v7yB1 LEU 1255 HD13 -0.02 -0.01 0.02 -0.04 0.93 0.88 1v7yB1 LEU 1255 HD23 -0.06 -0.01 -0.11 -0.04 0.89 0.68 1v7yB1 LYS 1256 H 0.01 0.47 -0.13 -0.55 8.42 8.22 1v7yB1 LYS 1256 HA 0.03 0.04 0.40 -0.75 4.32 4.04 1v7yB1 LYS 1256 HB2 0.01 0.03 0.11 -0.04 1.87 1.98 1v7yB1 LYS 1256 HB3 0.00 0.09 0.17 -0.04 1.79 2.02 1v7yB1 LYS 1256 HG2 -0.00 -0.02 -0.22 -0.04 1.46 1.17 1v7yB1 LYS 1256 HG3 0.00 0.04 0.03 -0.04 1.46 1.49 1v7yB1 LYS 1256 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.61 1v7yB1 LYS 1256 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.61 1v7yB1 LYS 1256 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 1v7yB1 LYS 1256 HE3 0.00 0.07 -0.06 -0.04 2.99 2.96 1v7yB1 VAL 1257 H 0.02 0.47 -0.15 -0.55 8.24 8.02 1v7yB1 VAL 1257 HA -0.00 0.01 0.37 -0.75 4.13 3.76 1v7yB1 VAL 1257 HB 0.04 0.10 0.09 -0.04 2.12 2.31 1v7yB1 VAL 1257 HG13 0.02 -0.03 -0.03 -0.04 0.97 0.89 1v7yB1 VAL 1257 HG23 0.01 0.07 0.07 -0.04 0.95 1.05 1v7yB1 PHE 1258 H 0.16 0.32 -0.51 -0.55 8.34 7.75 1v7yB1 PHE 1258 HA -0.04 0.05 0.66 -0.75 4.62 4.54 1v7yB1 PHE 1258 HB2 -0.02 -0.01 0.08 -0.04 3.15 3.15 1v7yB1 PHE 1258 HB3 -0.01 0.13 0.16 -0.04 3.06 3.30 1v7yB1 PHE 1258 HD2 0.01 0.04 -0.11 -0.04 7.28 7.18 1v7yB1 PHE 1258 HE2 0.07 0.02 -0.08 -0.04 7.38 7.36 1v7yB1 PHE 1258 HZ 0.04 -0.10 -0.11 -0.04 7.32 7.11 1v7yB1 VAL 1259 H 0.10 0.56 0.03 -0.55 8.24 8.39 1v7yB1 VAL 1259 HA -0.31 -0.05 0.38 -0.75 4.13 3.39 1v7yB1 VAL 1259 HB 0.05 0.08 0.08 -0.04 2.12 2.29 1v7yB1 VAL 1259 HG13 0.10 0.02 -0.23 -0.04 0.97 0.81 1v7yB1 VAL 1259 HG23 0.29 0.02 0.01 -0.04 0.95 1.23 1v7yB1 GLN 1260 H -0.08 0.51 -0.11 -0.55 8.47 8.25 1v7yB1 GLN 1260 HA -0.10 0.14 0.36 -0.75 4.36 4.01 1v7yB1 GLN 1260 HB2 -0.08 0.06 0.10 -0.04 2.15 2.20 1v7yB1 GLN 1260 HB3 -0.07 -0.07 0.00 -0.04 2.02 1.84 1v7yB1 GLN 1260 HG2 -0.04 0.09 0.09 -0.04 2.40 2.51 1v7yB1 GLN 1260 HG3 -0.03 0.22 0.11 -0.04 2.39 2.65 1v7yB1 GLN 1260 HE21 -0.01 -0.08 -0.03 -0.04 6.97 6.81 1v7yB1 GLN 1260 HE22 -0.01 0.05 -0.01 -0.04 7.69 7.68 1v7yB1 PRO 1261 HA -0.15 0.03 0.43 -0.51 4.44 4.25 1v7yB1 PRO 1261 HB2 -0.27 0.02 0.06 -0.04 2.28 2.04 1v7yB1 PRO 1261 HB3 -0.14 -0.05 0.09 -0.04 2.02 1.87 1v7yB1 PRO 1261 HG2 -0.13 0.07 0.13 -0.04 2.03 2.06 1v7yB1 PRO 1261 HG3 -0.10 -0.03 0.08 -0.04 2.03 1.93 1v7yB1 PRO 1261 HD2 -0.25 0.29 -0.35 -0.04 3.68 3.32 1v7yB1 PRO 1261 HD3 -0.12 0.11 0.04 -0.04 3.65 3.65 1v7yB1 MET 1262 H -0.51 0.39 -0.27 -0.55 8.47 7.54 1v7yB1 MET 1262 HA -0.39 -0.12 0.32 -0.75 4.52 3.58 1v7yB1 MET 1262 HB2 -1.21 0.17 0.08 -0.04 2.15 1.15 1v7yB1 MET 1262 HB3 -1.22 -0.06 -0.14 -0.04 2.03 0.56 1v7yB1 MET 1262 HG2 -1.02 0.29 0.03 -0.04 2.63 1.89 1v7yB1 MET 1262 HG3 -0.83 -0.06 -0.15 -0.04 2.56 1.48 1v7yB1 MET 1262 HE3 0.11 -0.03 -0.38 -0.04 2.10 1.75 1v7yB1 LYS 1263 H -0.48 0.74 -0.07 -0.55 8.42 8.05 1v7yB1 LYS 1263 HA -0.13 -0.01 0.39 -0.75 4.32 3.83 1v7yB1 LYS 1263 HB2 -0.06 -0.06 -0.02 -0.04 1.87 1.69 1v7yB1 LYS 1263 HB3 -0.13 0.12 0.10 -0.04 1.79 1.83 1v7yB1 LYS 1263 HG2 0.01 0.06 0.07 -0.04 1.46 1.57 1v7yB1 LYS 1263 HG3 -0.03 -0.05 -0.24 -0.04 1.46 1.10 1v7yB1 LYS 1263 HD2 0.06 -0.10 0.14 -0.04 1.69 1.75 1v7yB1 LYS 1263 HD3 0.13 0.08 0.13 -0.04 1.68 1.98 1v7yB1 LYS 1263 HE2 0.04 0.07 0.05 -0.04 2.99 3.10 1v7yB1 LYS 1263 HE3 0.02 -0.06 -0.00 -0.04 2.99 2.90 1v7yB1 ALA 1264 H -0.16 0.63 -0.13 -0.55 8.40 8.19 1v7yB1 ALA 1264 HA -0.06 0.04 0.47 -0.75 4.34 4.03 1v7yB1 ALA 1264 HB3 -0.08 -0.00 0.11 -0.04 1.41 1.40 1v7yB1 ALA 1265 H -0.13 0.54 -0.21 -0.55 8.40 8.04 1v7yB1 ALA 1265 HA -0.05 -0.01 0.33 -0.75 4.34 3.85 1v7yB1 ALA 1265 HB3 -0.09 -0.01 0.13 -0.04 1.41 1.40 1v7yB1 THR 1266 H -0.05 0.37 -1.07 -0.55 8.28 6.99 1v7yB1 THR 1266 HA 0.01 0.04 0.55 -0.75 4.39 4.23 1v7yB1 THR 1266 HB 0.02 -0.01 -0.01 -0.04 4.32 4.28 1v7yB1 THR 1266 HG23 0.03 -0.02 -0.06 -0.04 1.22 1.13 1v7yB1 ARG 1267 H -0.02 0.62 0.00 -0.55 8.46 8.51 1v7yB1 ARG 1267 HA 0.00 0.14 0.82 -0.75 4.34 4.54 1v7yB1 ARG 1267 HB2 -0.02 0.08 0.21 -0.04 1.90 2.13 1v7yB1 ARG 1267 HB3 -0.01 -0.08 0.09 -0.04 1.80 1.76 1v7yB1 ARG 1267 HG2 0.00 0.04 0.05 -0.04 1.67 1.71 1v7yB1 ARG 1267 HG3 -0.01 0.08 0.06 -0.04 1.67 1.76 1v7yB1 ARG 1267 HD2 -0.02 -0.06 0.06 -0.04 3.22 3.16 1v7yB1 ARG 1267 HD3 -0.01 -0.04 0.04 -0.04 3.22 3.17 1v7yB1 SER 1268 H 0.00 0.37 0.19 -0.55 8.46 8.47 1v7yB1 SER 1268 HA -0.01 0.16 0.73 -0.75 4.49 4.63 1v7yB1 SER 1268 HB2 0.00 0.30 0.26 -0.04 3.95 4.46 1v7yB1 SER 1268 HB3 -0.00 -0.14 0.10 -0.04 3.93 3.85