============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 8 0.840 139.945 101.138 9.923 -99.200 -91.000 TYR 12 0.840 131.433 103.202 4.159 -99.200 -91.000 PHE 14 1.000 131.057 100.299 13.411 -99.200 -91.000 PHE 18 1.000 127.802 100.611 24.218 -99.200 -91.000 HIS 20 0.900 123.904 108.253 27.909 -99.200 -91.000 TYR 31 0.840 129.368 102.037 27.465 -99.200 -91.000 PHE 39 1.000 129.564 97.128 34.911 -99.200 -91.000 TRP 51 1.040 125.545 106.329 17.278 -99.200 -91.000 TRP6 51 1.020 123.973 108.066 16.953 -99.200 -91.000 TYR 68 0.840 138.085 84.250 28.150 -99.200 -91.000 HIS 73 0.900 143.002 83.851 31.537 -99.200 -91.000 HIS 83 0.900 123.787 74.592 33.784 -99.200 -91.000 HIS 84 0.900 124.367 78.970 31.736 -99.200 -91.000 HIS 98 0.900 128.473 80.571 17.994 -99.200 -91.000 TYR 110 0.840 123.964 82.930 16.083 -99.200 -91.000 PHE 117 1.000 140.007 75.192 15.572 -99.200 -91.000 HIS 119 0.900 132.119 79.412 19.606 -99.200 -91.000 TYR 125 0.840 124.505 100.013 8.444 -99.200 -91.000 HIS 138 0.900 116.928 95.275 20.845 -99.200 -91.000 TYR 139 0.840 125.199 92.473 19.382 -99.200 -91.000 TYR 141 0.840 127.199 90.203 25.687 -99.200 -91.000 TYR 144 0.840 124.278 84.849 35.711 -99.200 -91.000 PHE 175 1.000 130.226 96.164 23.811 -99.200 -91.000 HIS 178 0.900 131.006 91.357 35.894 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bimB1 SER 96 HA 0.02 0.00 0.20 -0.75 4.49 3.97 2bimB1 SER 96 HB2 0.01 -0.04 0.03 -0.04 3.95 3.91 2bimB1 SER 96 HB3 0.01 -0.07 0.02 -0.04 3.93 3.85 2bimB1 VAL 97 H 0.01 0.16 -0.02 -0.55 8.24 7.84 2bimB1 VAL 97 HA 0.01 0.28 0.76 -0.75 4.13 4.43 2bimB1 VAL 97 HB 0.01 -0.12 0.02 -0.04 2.12 1.99 2bimB1 VAL 97 HG13 0.02 0.06 -0.13 -0.04 0.97 0.87 2bimB1 VAL 97 HG23 0.02 0.02 -0.37 -0.04 0.95 0.58 2bimB1 PRO 98 HA -0.01 -0.05 0.41 -0.51 4.44 4.29 2bimB1 PRO 98 HB2 -0.01 0.05 -0.07 -0.04 2.28 2.21 2bimB1 PRO 98 HB3 -0.01 -0.01 0.02 -0.04 2.02 1.98 2bimB1 PRO 98 HG2 -0.02 0.04 -0.00 -0.04 2.03 2.00 2bimB1 PRO 98 HG3 -0.01 -0.01 -0.02 -0.04 2.03 1.95 2bimB1 PRO 98 HD2 -0.01 0.13 0.13 -0.04 3.68 3.89 2bimB1 PRO 98 HD3 -0.00 0.23 0.02 -0.04 3.65 3.86 2bimB1 SER 99 H -0.00 0.03 0.15 -0.55 8.46 8.09 2bimB1 SER 99 HA 0.00 0.08 0.40 -0.75 4.49 4.23 2bimB1 SER 99 HB2 -0.01 0.04 0.12 -0.04 3.95 4.06 2bimB1 SER 99 HB3 -0.00 0.01 0.09 -0.04 3.93 3.99 2bimB1 GLN 100 H 0.02 0.09 0.11 -0.55 8.47 8.14 2bimB1 GLN 100 HA 0.03 0.24 0.72 -0.75 4.36 4.60 2bimB1 GLN 100 HB2 0.02 -0.02 0.04 -0.04 2.15 2.14 2bimB1 GLN 100 HB3 0.01 0.12 -0.13 -0.04 2.02 1.97 2bimB1 GLN 100 HG2 0.02 -0.03 -0.04 -0.04 2.40 2.31 2bimB1 GLN 100 HG3 0.03 -0.04 -0.29 -0.04 2.39 2.04 2bimB1 GLN 100 HE21 0.02 0.01 -0.05 -0.04 6.97 6.91 2bimB1 GLN 100 HE22 0.03 -0.04 -0.06 -0.04 7.69 7.58 2bimB1 LYS 101 H 0.03 0.00 -0.09 -0.55 8.42 7.81 2bimB1 LYS 101 HA 0.05 0.04 0.45 -0.75 4.32 4.11 2bimB1 LYS 101 HB2 0.03 -0.01 0.01 -0.04 1.87 1.86 2bimB1 LYS 101 HB3 0.05 0.09 -0.03 -0.04 1.79 1.86 2bimB1 LYS 101 HG2 0.02 -0.15 0.06 -0.04 1.46 1.35 2bimB1 LYS 101 HG3 0.01 0.02 0.01 -0.04 1.46 1.46 2bimB1 LYS 101 HD2 0.03 0.04 0.01 -0.04 1.69 1.72 2bimB1 LYS 101 HD3 0.03 0.01 -0.04 -0.04 1.68 1.64 2bimB1 LYS 101 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2bimB1 LYS 101 HE3 0.01 0.00 -0.00 -0.04 2.99 2.96 2bimB1 THR 102 H 0.08 0.08 0.18 -0.55 8.28 8.07 2bimB1 THR 102 HA 0.14 0.17 0.36 -0.75 4.39 4.30 2bimB1 THR 102 HB 0.08 -0.06 0.18 -0.04 4.32 4.48 2bimB1 THR 102 HG23 0.08 -0.00 -0.00 -0.04 1.22 1.25 2bimB1 TYR 103 H 0.21 0.70 0.29 -0.55 8.29 8.95 2bimB1 TYR 103 HA 0.06 0.04 0.76 -0.75 4.56 4.67 2bimB1 TYR 103 HB2 0.05 0.11 -0.21 -0.04 3.06 2.98 2bimB1 TYR 103 HB3 0.08 -0.02 0.10 -0.04 2.98 3.10 2bimB1 TYR 103 HD2 0.05 -0.01 -0.09 -0.04 7.15 7.06 2bimB1 TYR 103 HE2 0.02 0.04 -0.16 -0.04 6.85 6.71 2bimB1 GLN 104 H -0.08 0.13 0.16 -0.55 8.47 8.14 2bimB1 GLN 104 HA 0.03 0.39 0.70 -0.75 4.36 4.73 2bimB1 GLN 104 HB2 -0.08 -0.03 0.15 -0.04 2.15 2.15 2bimB1 GLN 104 HB3 -0.03 -0.12 0.06 -0.04 2.02 1.89 2bimB1 GLN 104 HG2 -0.01 0.20 0.03 -0.04 2.40 2.58 2bimB1 GLN 104 HG3 -0.01 -0.06 0.05 -0.04 2.39 2.33 2bimB1 GLN 104 HE21 -0.02 -0.01 -0.07 -0.04 6.97 6.82 2bimB1 GLN 104 HE22 -0.02 -0.01 -0.04 -0.04 7.69 7.57 2bimB1 GLY 105 H -0.80 -0.02 -0.03 -0.55 8.43 7.04 2bimB1 GLY 105 HA2 -0.73 0.01 0.35 -0.51 4.01 3.12 2bimB1 GLY 105 HA3 -0.44 0.45 0.52 -0.51 4.01 4.03 2bimB1 SER 106 H -0.14 0.21 0.23 -0.55 8.46 8.22 2bimB1 SER 106 HA -0.18 0.08 0.41 -0.75 4.49 4.04 2bimB1 SER 106 HB2 -0.49 0.02 0.12 -0.04 3.95 3.56 2bimB1 SER 106 HB3 -0.46 0.03 0.05 -0.04 3.93 3.51 2bimB1 TYR 107 H -0.04 0.16 -0.14 -0.55 8.29 7.72 2bimB1 TYR 107 HA -0.01 0.18 0.79 -0.75 4.56 4.77 2bimB1 TYR 107 HB2 -0.04 0.01 0.01 -0.04 3.06 2.99 2bimB1 TYR 107 HB3 -0.04 0.19 0.13 -0.04 2.98 3.23 2bimB1 TYR 107 HD2 -0.06 0.05 -0.19 -0.04 7.15 6.91 2bimB1 TYR 107 HE2 -0.04 0.03 -0.07 -0.04 6.85 6.73 2bimB1 GLY 108 H -0.01 0.39 -0.37 -0.55 8.43 7.89 2bimB1 GLY 108 HA2 0.01 0.02 0.25 -0.51 4.01 3.78 2bimB1 GLY 108 HA3 0.04 -0.04 0.41 -0.51 4.01 3.91 2bimB1 PHE 109 H 0.17 0.58 0.16 -0.55 8.34 8.70 2bimB1 PHE 109 HA 0.06 0.36 0.72 -0.75 4.62 5.01 2bimB1 PHE 109 HB2 0.01 -0.05 -0.00 -0.04 3.15 3.07 2bimB1 PHE 109 HB3 -0.00 0.05 0.19 -0.04 3.06 3.26 2bimB1 PHE 109 HD2 0.02 0.01 -0.18 -0.04 7.28 7.10 2bimB1 PHE 109 HE2 0.07 0.02 -0.24 -0.04 7.38 7.19 2bimB1 PHE 109 HZ 0.08 -0.01 -0.30 -0.04 7.32 7.05 2bimB1 ARG 110 H -0.35 0.66 0.41 -0.55 8.46 8.62 2bimB1 ARG 110 HA -0.48 0.03 0.45 -0.75 4.34 3.59 2bimB1 ARG 110 HB2 -0.11 -0.07 0.15 -0.04 1.90 1.84 2bimB1 ARG 110 HB3 -0.09 0.07 -0.17 -0.04 1.80 1.56 2bimB1 ARG 110 HG2 -0.06 0.04 -0.28 -0.04 1.67 1.34 2bimB1 ARG 110 HG3 -0.10 -0.05 -0.08 -0.04 1.67 1.41 2bimB1 ARG 110 HD2 -0.01 0.01 -0.24 -0.04 3.22 2.94 2bimB1 ARG 110 HD3 0.06 0.18 -0.04 -0.04 3.22 3.38 2bimB1 LEU 111 H -0.17 0.07 0.14 -0.55 8.37 7.87 2bimB1 LEU 111 HA -0.14 0.31 0.80 -0.75 4.35 4.57 2bimB1 LEU 111 HB2 -0.03 -0.04 -0.00 -0.04 1.64 1.52 2bimB1 LEU 111 HB3 -0.41 0.02 0.08 -0.04 1.64 1.30 2bimB1 LEU 111 HG -0.08 -0.09 -0.04 -0.04 1.64 1.38 2bimB1 LEU 111 HD13 0.32 0.01 -0.16 -0.04 0.93 1.06 2bimB1 LEU 111 HD23 0.03 0.02 -0.14 -0.04 0.89 0.76 2bimB1 GLY 112 H -0.35 0.51 0.30 -0.55 8.43 8.34 2bimB1 GLY 112 HA2 -0.12 0.12 0.65 -0.51 4.01 4.15 2bimB1 GLY 112 HA3 0.26 0.02 0.20 -0.51 4.01 3.99 2bimB1 PHE 113 H -0.04 0.25 0.14 -0.55 8.34 8.14 2bimB1 PHE 113 HA -0.14 0.18 0.91 -0.75 4.62 4.81 2bimB1 PHE 113 HB2 -0.48 -0.02 0.00 -0.04 3.15 2.61 2bimB1 PHE 113 HB3 -0.25 0.04 0.07 -0.04 3.06 2.88 2bimB1 PHE 113 HD2 -0.59 0.04 -0.10 -0.04 7.28 6.59 2bimB1 PHE 113 HE2 -0.71 0.03 -0.15 -0.04 7.38 6.50 2bimB1 PHE 113 HZ -1.23 0.02 -0.16 -0.04 7.32 5.91 2bimB1 LEU 114 H 0.06 0.17 0.11 -0.55 8.37 8.17 2bimB1 LEU 114 HA 0.03 0.09 0.44 -0.75 4.35 4.16 2bimB1 LEU 114 HB2 0.06 0.01 0.03 -0.04 1.64 1.70 2bimB1 LEU 114 HB3 0.07 0.01 -0.00 -0.04 1.64 1.68 2bimB1 LEU 114 HG 0.05 -0.00 -0.02 -0.04 1.64 1.63 2bimB1 LEU 114 HD13 0.06 0.02 -0.02 -0.04 0.93 0.94 2bimB1 LEU 114 HD23 0.07 0.01 -0.07 -0.04 0.89 0.87 2bimB1 HIS 115 H 0.14 0.20 0.09 -0.55 8.41 8.30 2bimB1 HIS 115 HA 0.11 0.13 0.84 -0.75 4.63 4.95 2bimB1 HIS 115 HB2 0.06 0.01 0.25 -0.04 3.26 3.54 2bimB1 HIS 115 HB3 0.06 -0.02 0.14 -0.04 3.20 3.33 2bimB1 HIS 115 HD2 0.07 -0.03 0.04 -0.04 6.97 7.01 2bimB1 HIS 115 HE1 0.08 -0.01 0.00 -0.04 7.75 7.78 2bimB1 SER 116 H 0.08 0.21 0.04 -0.55 8.46 8.25 2bimB1 SER 116 HA 0.07 0.16 0.74 -0.75 4.49 4.71 2bimB1 SER 116 HB2 0.07 0.05 0.24 -0.04 3.95 4.27 2bimB1 SER 116 HB3 0.06 -0.04 0.21 -0.04 3.93 4.11 2bimB1 GLY 117 H 0.08 0.02 -0.08 -0.55 8.43 7.90 2bimB1 GLY 117 HA2 0.04 0.04 0.32 -0.51 4.01 3.89 2bimB1 GLY 117 HA3 0.03 0.10 0.51 -0.51 4.01 4.15 2bimB1 THR 118 H 0.00 0.12 0.10 -0.55 8.28 7.95 2bimB1 THR 118 HA -0.02 0.27 0.96 -0.75 4.39 4.84 2bimB1 THR 118 HB -0.07 0.19 0.21 -0.04 4.32 4.60 2bimB1 THR 118 HG23 -0.06 -0.01 -0.20 -0.04 1.22 0.90 2bimB1 ALA 119 H 0.01 0.16 -0.05 -0.55 8.40 7.97 2bimB1 ALA 119 HA -0.00 0.10 0.47 -0.75 4.34 4.15 2bimB1 ALA 119 HB3 0.01 0.03 0.10 -0.04 1.41 1.50 2bimB1 LYS 120 H -0.00 0.18 0.17 -0.55 8.42 8.21 2bimB1 LYS 120 HA -0.00 -0.03 0.30 -0.75 4.32 3.84 2bimB1 LYS 120 HB2 0.00 -0.01 0.15 -0.04 1.87 1.97 2bimB1 LYS 120 HB3 0.01 0.07 -0.02 -0.04 1.79 1.81 2bimB1 LYS 120 HG2 0.00 -0.03 0.09 -0.04 1.46 1.48 2bimB1 LYS 120 HG3 -0.01 0.01 0.06 -0.04 1.46 1.48 2bimB1 LYS 120 HD2 -0.00 0.01 0.03 -0.04 1.69 1.69 2bimB1 LYS 120 HD3 0.00 0.02 0.02 -0.04 1.68 1.68 2bimB1 LYS 120 HE2 -0.01 0.01 0.02 -0.04 2.99 2.97 2bimB1 LYS 120 HE3 -0.00 0.03 0.01 -0.04 2.99 2.99 2bimB1 SER 121 H 0.01 -0.06 -0.56 -0.55 8.46 7.31 2bimB1 SER 121 HA 0.02 0.22 0.69 -0.75 4.49 4.67 2bimB1 SER 121 HB2 0.02 0.04 0.06 -0.04 3.95 4.03 2bimB1 SER 121 HB3 0.01 -0.03 -0.00 -0.04 3.93 3.87 2bimB1 VAL 122 H 0.02 0.38 -0.20 -0.55 8.24 7.90 2bimB1 VAL 122 HA 0.03 0.01 0.40 -0.75 4.13 3.81 2bimB1 VAL 122 HB 0.02 -0.09 0.02 -0.04 2.12 2.04 2bimB1 VAL 122 HG13 0.02 0.05 -0.21 -0.04 0.97 0.79 2bimB1 VAL 122 HG23 0.04 -0.01 -0.03 -0.04 0.95 0.91 2bimB1 THR 123 H 0.04 0.11 0.22 -0.55 8.28 8.10 2bimB1 THR 123 HA 0.05 0.20 0.75 -0.75 4.39 4.64 2bimB1 THR 123 HB 0.04 -0.04 0.14 -0.04 4.32 4.42 2bimB1 THR 123 HG23 0.03 0.02 0.07 -0.04 1.22 1.30 2bimB1 CYS 124 H 0.06 0.14 0.00 -0.55 8.50 8.15 2bimB1 CYS 124 HA 0.11 0.28 0.79 -0.75 4.58 5.01 2bimB1 CYS 124 HB2 0.09 0.14 -0.07 -0.04 2.97 3.08 2bimB1 CYS 124 HB3 0.07 -0.06 0.10 -0.04 2.97 3.05 2bimB1 THR 125 H 0.15 0.75 0.32 -0.55 8.28 8.95 2bimB1 THR 125 HA 0.10 0.07 0.74 -0.75 4.39 4.55 2bimB1 THR 125 HB 0.05 0.09 -0.17 -0.04 4.32 4.25 2bimB1 THR 125 HG23 0.03 -0.03 -0.20 -0.04 1.22 0.97 2bimB1 TYR 126 H 0.15 0.15 0.19 -0.55 8.29 8.23 2bimB1 TYR 126 HA -0.04 0.24 1.17 -0.75 4.56 5.19 2bimB1 TYR 126 HB2 -0.30 0.01 -0.05 -0.04 3.06 2.68 2bimB1 TYR 126 HB3 -0.11 0.07 0.10 -0.04 2.98 2.99 2bimB1 TYR 126 HD2 -0.47 -0.00 -0.28 -0.04 7.15 6.36 2bimB1 TYR 126 HE2 -0.27 0.02 -0.25 -0.04 6.85 6.31 2bimB1 SER 127 H -0.50 0.82 0.28 -0.55 8.46 8.51 2bimB1 SER 127 HA -0.21 0.24 0.97 -0.75 4.49 4.73 2bimB1 SER 127 HB2 -0.01 0.07 0.03 -0.04 3.95 3.99 2bimB1 SER 127 HB3 -0.02 0.08 0.23 -0.04 3.93 4.17 2bimB1 PRO 128 HA -0.08 0.11 0.46 -0.51 4.44 4.42 2bimB1 PRO 128 HB2 0.04 0.01 0.08 -0.04 2.28 2.37 2bimB1 PRO 128 HB3 0.13 0.07 0.08 -0.04 2.02 2.27 2bimB1 PRO 128 HG2 0.18 0.05 0.08 -0.04 2.03 2.29 2bimB1 PRO 128 HG3 0.33 0.05 -0.01 -0.04 2.03 2.36 2bimB1 PRO 128 HD2 -0.03 0.05 0.26 -0.04 3.68 3.93 2bimB1 PRO 128 HD3 -0.08 0.51 0.17 -0.04 3.65 4.22 2bimB1 ALA 129 H -0.07 0.10 -0.11 -0.55 8.40 7.77 2bimB1 ALA 129 HA -0.02 0.11 0.37 -0.75 4.34 4.05 2bimB1 ALA 129 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 2bimB1 LEU 130 H -0.11 -0.01 -0.36 -0.55 8.37 7.35 2bimB1 LEU 130 HA -0.02 0.22 0.71 -0.75 4.35 4.50 2bimB1 LEU 130 HB2 -0.02 -0.05 0.02 -0.04 1.64 1.55 2bimB1 LEU 130 HB3 -0.01 0.02 -0.00 -0.04 1.64 1.61 2bimB1 LEU 130 HG -0.01 -0.10 -0.15 -0.04 1.64 1.34 2bimB1 LEU 130 HD13 0.13 -0.01 -0.15 -0.04 0.93 0.87 2bimB1 LEU 130 HD23 0.01 0.05 -0.09 -0.04 0.89 0.81 2bimB1 ASN 131 H -0.17 0.23 -0.23 -0.55 8.53 7.81 2bimB1 ASN 131 HA -0.01 -0.01 0.33 -0.75 4.76 4.31 2bimB1 ASN 131 HB2 0.07 0.05 0.02 -0.04 2.88 2.97 2bimB1 ASN 131 HB3 0.05 0.13 0.25 -0.04 2.79 3.17 2bimB1 ASN 131 HD21 0.19 0.35 0.23 -0.04 7.03 7.76 2bimB1 ASN 131 HD22 0.11 -0.02 0.11 -0.04 7.74 7.89 2bimB1 LYS 132 H -0.43 0.29 0.00 -0.55 8.42 7.73 2bimB1 LYS 132 HA -0.03 0.29 0.97 -0.75 4.32 4.80 2bimB1 LYS 132 HB2 -0.11 0.20 -0.37 -0.04 1.87 1.55 2bimB1 LYS 132 HB3 -0.09 -0.13 -0.07 -0.04 1.79 1.45 2bimB1 LYS 132 HG2 -0.90 -0.02 -0.45 -0.04 1.46 0.05 2bimB1 LYS 132 HG3 -0.28 -0.02 -0.35 -0.04 1.46 0.78 2bimB1 LYS 132 HD2 -0.15 0.07 -0.13 -0.04 1.69 1.44 2bimB1 LYS 132 HD3 -0.19 -0.06 -0.15 -0.04 1.68 1.24 2bimB1 LYS 132 HE2 -0.75 -0.06 -0.18 -0.04 2.99 1.95 2bimB1 LYS 132 HE3 -0.27 0.03 -0.24 -0.04 2.99 2.47 2bimB1 LEU 133 H 0.04 0.93 0.32 -0.55 8.37 9.12 2bimB1 LEU 133 HA 0.07 0.09 0.87 -0.75 4.35 4.62 2bimB1 LEU 133 HB2 -0.07 -0.01 -0.01 -0.04 1.64 1.51 2bimB1 LEU 133 HB3 0.16 0.00 0.12 -0.04 1.64 1.88 2bimB1 LEU 133 HG 0.08 0.02 -0.36 -0.04 1.64 1.33 2bimB1 LEU 133 HD13 0.07 0.01 -0.20 -0.04 0.93 0.77 2bimB1 LEU 133 HD23 0.21 -0.00 -0.16 -0.04 0.89 0.90 2bimB1 PHE 134 H 0.29 0.75 0.37 -0.55 8.34 9.19 2bimB1 PHE 134 HA 0.05 0.26 0.96 -0.75 4.62 5.14 2bimB1 PHE 134 HB2 0.02 0.01 0.15 -0.04 3.15 3.29 2bimB1 PHE 134 HB3 0.06 -0.09 0.04 -0.04 3.06 3.03 2bimB1 PHE 134 HD2 0.06 0.04 -0.06 -0.04 7.28 7.27 2bimB1 PHE 134 HE2 -0.09 -0.01 -0.14 -0.04 7.38 7.10 2bimB1 PHE 134 HZ -0.07 0.02 -0.12 -0.04 7.32 7.10 2bimB1 CYS 135 H 0.06 0.50 0.39 -0.55 8.50 8.89 2bimB1 CYS 135 HA 0.11 0.21 0.85 -0.75 4.58 4.99 2bimB1 CYS 135 HB2 0.10 0.15 0.13 -0.04 2.97 3.30 2bimB1 CYS 135 HB3 0.09 -0.04 -0.23 -0.04 2.97 2.75 2bimB1 GLN 136 H 0.07 0.57 0.34 -0.55 8.47 8.91 2bimB1 GLN 136 HA 0.11 0.38 0.85 -0.75 4.36 4.94 2bimB1 GLN 136 HB2 0.06 -0.03 0.14 -0.04 2.15 2.27 2bimB1 GLN 136 HB3 0.09 -0.05 0.18 -0.04 2.02 2.20 2bimB1 GLN 136 HG2 0.10 0.08 0.03 -0.04 2.40 2.57 2bimB1 GLN 136 HG3 0.07 0.05 0.19 -0.04 2.39 2.66 2bimB1 GLN 136 HE21 0.05 -0.09 0.07 -0.04 6.97 6.96 2bimB1 GLN 136 HE22 0.07 0.22 0.19 -0.04 7.69 8.12 2bimB1 LEU 137 H -0.03 0.10 0.11 -0.55 8.37 8.00 2bimB1 LEU 137 HA -0.22 0.10 0.36 -0.75 4.35 3.83 2bimB1 LEU 137 HB2 -1.26 -0.09 0.00 -0.04 1.64 0.25 2bimB1 LEU 137 HB3 -0.26 0.00 0.09 -0.04 1.64 1.43 2bimB1 LEU 137 HG -0.24 0.10 -0.34 -0.04 1.64 1.12 2bimB1 LEU 137 HD13 -0.55 0.05 -0.35 -0.04 0.93 0.04 2bimB1 LEU 137 HD23 -0.27 -0.01 -0.08 -0.04 0.89 0.49 2bimB1 ALA 138 H -0.05 0.70 0.34 -0.55 8.40 8.84 2bimB1 ALA 138 HA 0.00 -0.06 0.23 -0.75 4.34 3.76 2bimB1 ALA 138 HB3 -0.04 0.02 -0.07 -0.04 1.41 1.28 2bimB1 LYS 139 H 0.03 0.33 -0.47 -0.55 8.42 7.76 2bimB1 LYS 139 HA 0.02 0.09 0.63 -0.75 4.32 4.30 2bimB1 LYS 139 HB2 0.05 0.06 -0.01 -0.04 1.87 1.92 2bimB1 LYS 139 HB3 0.03 -0.07 0.07 -0.04 1.79 1.78 2bimB1 LYS 139 HG2 0.03 0.14 -0.28 -0.04 1.46 1.30 2bimB1 LYS 139 HG3 0.04 -0.05 0.03 -0.04 1.46 1.44 2bimB1 LYS 139 HD2 0.02 -0.06 0.03 -0.04 1.69 1.65 2bimB1 LYS 139 HD3 0.02 0.06 -0.10 -0.04 1.68 1.62 2bimB1 LYS 139 HE2 0.04 0.03 -0.01 -0.04 2.99 3.00 2bimB1 LYS 139 HE3 0.04 -0.02 0.03 -0.04 2.99 3.00 2bimB1 THR 140 H -0.01 0.05 0.11 -0.55 8.28 7.89 2bimB1 THR 140 HA -0.01 0.12 0.35 -0.75 4.39 4.11 2bimB1 THR 140 HB -0.12 -0.04 0.10 -0.04 4.32 4.22 2bimB1 THR 140 HG23 -0.53 -0.01 -0.19 -0.04 1.22 0.46 2bimB1 CYS 141 H 0.10 0.50 0.26 -0.55 8.50 8.81 2bimB1 CYS 141 HA 0.12 0.15 0.84 -0.75 4.58 4.94 2bimB1 CYS 141 HB2 0.38 -0.05 0.13 -0.04 2.97 3.38 2bimB1 CYS 141 HB3 0.32 -0.02 -0.06 -0.04 2.97 3.17 2bimB1 PRO 142 HA 0.23 0.21 0.57 -0.51 4.44 4.94 2bimB1 PRO 142 HB2 0.07 -0.08 0.03 -0.04 2.28 2.26 2bimB1 PRO 142 HB3 0.14 0.04 -0.02 -0.04 2.02 2.14 2bimB1 PRO 142 HG2 0.01 0.01 0.01 -0.04 2.03 2.02 2bimB1 PRO 142 HG3 -0.15 0.03 -0.08 -0.04 2.03 1.79 2bimB1 PRO 142 HD2 0.08 0.04 0.16 -0.04 3.68 3.92 2bimB1 PRO 142 HD3 0.01 0.34 -0.07 -0.04 3.65 3.89 2bimB1 VAL 143 H 0.06 0.62 0.36 -0.55 8.24 8.73 2bimB1 VAL 143 HA -0.32 0.15 0.91 -0.75 4.13 4.11 2bimB1 VAL 143 HB 0.28 -0.01 0.09 -0.04 2.12 2.44 2bimB1 VAL 143 HG13 -0.14 0.01 -0.12 -0.04 0.97 0.67 2bimB1 VAL 143 HG23 0.26 0.01 -0.25 -0.04 0.95 0.92 2bimB1 GLN 144 H -0.36 0.69 0.29 -0.55 8.47 8.54 2bimB1 GLN 144 HA -0.18 0.26 0.83 -0.75 4.36 4.52 2bimB1 GLN 144 HB2 0.10 -0.12 -0.04 -0.04 2.15 2.05 2bimB1 GLN 144 HB3 -0.33 0.03 -0.14 -0.04 2.02 1.54 2bimB1 GLN 144 HG2 -0.08 0.01 -0.24 -0.04 2.40 2.05 2bimB1 GLN 144 HG3 -0.07 -0.01 -0.26 -0.04 2.39 2.00 2bimB1 GLN 144 HE21 0.21 0.00 -0.18 -0.04 6.97 6.95 2bimB1 GLN 144 HE22 0.05 -0.00 -0.19 -0.04 7.69 7.51 2bimB1 LEU 145 H -0.27 0.69 0.36 -0.55 8.37 8.60 2bimB1 LEU 145 HA -0.00 0.15 0.83 -0.75 4.35 4.57 2bimB1 LEU 145 HB2 0.07 -0.08 0.14 -0.04 1.64 1.73 2bimB1 LEU 145 HB3 0.35 0.02 -0.06 -0.04 1.64 1.90 2bimB1 LEU 145 HG 0.01 0.08 -0.18 -0.04 1.64 1.52 2bimB1 LEU 145 HD13 0.17 -0.01 -0.16 -0.04 0.93 0.89 2bimB1 LEU 145 HD23 0.27 0.02 -0.28 -0.04 0.89 0.86 2bimB1 TRP 146 H 0.09 0.77 0.32 -0.55 7.97 8.61 2bimB1 TRP 146 HA 0.02 0.14 1.02 -0.75 4.62 5.05 2bimB1 TRP 146 HB2 -0.10 0.07 0.03 -0.04 3.23 3.19 2bimB1 TRP 146 HB3 -0.03 0.04 -0.04 -0.04 3.23 3.15 2bimB1 TRP 146 HD1 -0.16 0.06 -0.57 -0.04 7.22 6.51 2bimB1 TRP 146 HE1 -0.11 -0.12 -0.22 -0.04 10.20 9.72 2bimB1 TRP 146 HE3 -0.00 0.09 -0.00 -0.04 7.59 7.64 2bimB1 TRP 146 HZ2 -0.02 -0.05 -0.14 -0.04 7.44 7.20 2bimB1 TRP 146 HZ3 0.00 0.01 -0.06 -0.04 7.13 7.04 2bimB1 TRP 146 HH2 0.00 -0.06 -0.10 -0.04 7.19 6.99 2bimB1 VAL 147 H 0.20 0.27 0.20 -0.55 8.24 8.36 2bimB1 VAL 147 HA 0.18 0.38 0.74 -0.75 4.13 4.67 2bimB1 VAL 147 HB 0.13 0.19 0.07 -0.04 2.12 2.47 2bimB1 VAL 147 HG13 0.13 -0.05 -0.31 -0.04 0.97 0.69 2bimB1 VAL 147 HG23 0.09 -0.04 -0.21 -0.04 0.95 0.75 2bimB1 ASP 148 H 0.12 0.57 0.32 -0.55 8.40 8.87 2bimB1 ASP 148 HA 0.10 0.07 0.69 -0.75 4.63 4.74 2bimB1 ASP 148 HB2 0.05 0.02 -0.05 -0.04 2.71 2.69 2bimB1 ASP 148 HB3 0.05 -0.06 0.03 -0.04 2.70 2.67 2bimB1 SER 149 H 0.14 0.38 0.07 -0.55 8.46 8.51 2bimB1 SER 149 HA 0.09 0.12 0.70 -0.75 4.49 4.65 2bimB1 SER 149 HB2 0.14 0.02 -0.01 -0.04 3.95 4.06 2bimB1 SER 149 HB3 0.07 0.03 -0.07 -0.04 3.93 3.92 2bimB1 THR 150 H 0.08 0.09 0.07 -0.55 8.28 7.97 2bimB1 THR 150 HA 0.01 0.12 0.44 -0.75 4.39 4.21 2bimB1 THR 150 HB 0.04 -0.06 0.10 -0.04 4.32 4.36 2bimB1 THR 150 HG23 0.08 0.08 -0.10 -0.04 1.22 1.24 2bimB1 PRO 151 HA -0.97 0.07 0.51 -0.51 4.44 3.55 2bimB1 PRO 151 HB2 -0.66 0.04 0.01 -0.04 2.28 1.62 2bimB1 PRO 151 HB3 -1.33 -0.04 0.04 -0.04 2.02 0.65 2bimB1 PRO 151 HG2 -0.81 0.04 -0.09 -0.04 2.03 1.13 2bimB1 PRO 151 HG3 -1.12 -0.00 -0.05 -0.04 2.03 0.82 2bimB1 PRO 151 HD2 -0.33 0.03 0.14 -0.04 3.68 3.48 2bimB1 PRO 151 HD3 -0.41 0.25 0.17 -0.04 3.65 3.63 2bimB1 PRO 152 HA -0.04 0.12 0.41 -0.51 4.44 4.43 2bimB1 PRO 152 HB2 -0.05 -0.03 -0.02 -0.04 2.28 2.14 2bimB1 PRO 152 HB3 -0.01 0.04 0.10 -0.04 2.02 2.11 2bimB1 PRO 152 HG2 0.03 -0.02 0.05 -0.04 2.03 2.06 2bimB1 PRO 152 HG3 0.04 0.07 0.06 -0.04 2.03 2.15 2bimB1 PRO 152 HD2 -0.28 0.04 0.13 -0.04 3.68 3.54 2bimB1 PRO 152 HD3 -0.46 0.11 0.20 -0.04 3.65 3.46 2bimB1 PRO 153 HA 0.01 0.11 0.49 -0.51 4.44 4.54 2bimB1 PRO 153 HB2 -0.01 -0.01 0.07 -0.04 2.28 2.29 2bimB1 PRO 153 HB3 -0.01 0.04 0.11 -0.04 2.02 2.12 2bimB1 PRO 153 HG2 -0.00 0.01 0.09 -0.04 2.03 2.08 2bimB1 PRO 153 HG3 -0.00 0.09 0.09 -0.04 2.03 2.17 2bimB1 PRO 153 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 2bimB1 PRO 153 HD3 -0.01 0.15 0.20 -0.04 3.65 3.95 2bimB1 GLY 154 H -0.00 0.23 0.21 -0.55 8.43 8.32 2bimB1 GLY 154 HA2 -0.01 -0.00 0.34 -0.51 4.01 3.82 2bimB1 GLY 154 HA3 -0.02 0.12 0.80 -0.51 4.01 4.40 2bimB1 THR 155 H -0.02 0.43 -0.15 -0.55 8.28 7.99 2bimB1 THR 155 HA -0.07 0.02 0.53 -0.75 4.39 4.11 2bimB1 THR 155 HB -0.07 0.01 0.02 -0.04 4.32 4.24 2bimB1 THR 155 HG23 -0.28 0.01 -0.09 -0.04 1.22 0.82 2bimB1 ARG 156 H -0.06 0.68 0.33 -0.55 8.46 8.86 2bimB1 ARG 156 HA 0.01 0.08 1.00 -0.75 4.34 4.67 2bimB1 ARG 156 HB2 -0.03 -0.03 -0.09 -0.04 1.90 1.71 2bimB1 ARG 156 HB3 -0.02 0.00 -0.08 -0.04 1.80 1.66 2bimB1 ARG 156 HG2 -0.02 0.02 -0.40 -0.04 1.67 1.23 2bimB1 ARG 156 HG3 -0.02 0.11 -0.27 -0.04 1.67 1.45 2bimB1 ARG 156 HD2 -0.03 -0.02 -0.34 -0.04 3.22 2.79 2bimB1 ARG 156 HD3 -0.02 -0.02 -0.17 -0.04 3.22 2.97 2bimB1 VAL 157 H 0.00 0.75 0.26 -0.55 8.24 8.70 2bimB1 VAL 157 HA -0.03 0.29 1.05 -0.75 4.13 4.68 2bimB1 VAL 157 HB 0.06 -0.04 0.03 -0.04 2.12 2.13 2bimB1 VAL 157 HG13 0.15 -0.00 -0.21 -0.04 0.97 0.87 2bimB1 VAL 157 HG23 0.11 -0.00 -0.27 -0.04 0.95 0.75 2bimB1 ARG 158 H 0.01 0.68 0.34 -0.55 8.46 8.93 2bimB1 ARG 158 HA 0.03 0.30 1.19 -0.75 4.34 5.10 2bimB1 ARG 158 HB2 -0.01 -0.04 -0.10 -0.04 1.90 1.71 2bimB1 ARG 158 HB3 0.00 -0.03 0.04 -0.04 1.80 1.76 2bimB1 ARG 158 HG2 0.00 0.06 -0.25 -0.04 1.67 1.45 2bimB1 ARG 158 HG3 -0.01 -0.02 -0.23 -0.04 1.67 1.38 2bimB1 ARG 158 HD2 -0.00 -0.01 -0.16 -0.04 3.22 3.01 2bimB1 ARG 158 HD3 0.00 -0.02 -0.17 -0.04 3.22 2.99 2bimB1 ALA 159 H 0.03 0.61 0.40 -0.55 8.40 8.90 2bimB1 ALA 159 HA -0.03 0.37 1.10 -0.75 4.34 5.03 2bimB1 ALA 159 HB3 -0.17 -0.02 -0.02 -0.04 1.41 1.16 2bimB1 MET 160 H -0.07 0.54 0.37 -0.55 8.47 8.76 2bimB1 MET 160 HA -0.05 0.15 0.95 -0.75 4.52 4.82 2bimB1 MET 160 HB2 -0.02 -0.03 -0.12 -0.04 2.15 1.94 2bimB1 MET 160 HB3 -0.04 -0.01 0.04 -0.04 2.03 1.98 2bimB1 MET 160 HG2 -0.06 0.11 -0.12 -0.04 2.63 2.52 2bimB1 MET 160 HG3 -0.05 0.26 0.19 -0.04 2.56 2.93 2bimB1 MET 160 HE3 -0.01 -0.02 -0.16 -0.04 2.10 1.87 2bimB1 ALA 161 H -0.08 0.21 0.28 -0.55 8.40 8.26 2bimB1 ALA 161 HA -0.12 0.34 1.22 -0.75 4.34 5.02 2bimB1 ALA 161 HB3 -0.10 -0.02 0.07 -0.04 1.41 1.32 2bimB1 ILE 162 H -0.14 0.54 0.40 -0.55 8.25 8.51 2bimB1 ILE 162 HA -0.17 0.17 0.78 -0.75 4.18 4.21 2bimB1 ILE 162 HB -0.02 0.13 0.15 -0.04 1.89 2.10 2bimB1 ILE 162 HG12 -0.06 -0.08 -0.08 -0.04 1.49 1.23 2bimB1 ILE 162 HG13 -0.03 -0.02 -0.43 -0.04 1.21 0.69 2bimB1 ILE 162 HG23 -0.05 0.01 -0.22 -0.04 0.93 0.62 2bimB1 ILE 162 HD13 -0.00 0.02 -0.12 -0.04 0.88 0.73 2bimB1 TYR 163 H -0.03 0.30 0.13 -0.55 8.29 8.14 2bimB1 TYR 163 HA 0.00 0.11 0.70 -0.75 4.56 4.62 2bimB1 TYR 163 HB2 0.06 0.12 -0.33 -0.04 3.06 2.87 2bimB1 TYR 163 HB3 0.10 -0.13 -0.09 -0.04 2.98 2.81 2bimB1 TYR 163 HD2 0.00 0.25 -0.06 -0.04 7.15 7.30 2bimB1 TYR 163 HE2 -0.03 0.06 -0.16 -0.04 6.85 6.69 2bimB1 LYS 164 H 0.16 0.62 0.25 -0.55 8.42 8.91 2bimB1 LYS 164 HA 0.05 0.11 0.37 -0.75 4.32 4.09 2bimB1 LYS 164 HB2 0.03 0.00 -0.21 -0.04 1.87 1.65 2bimB1 LYS 164 HB3 0.07 0.01 0.01 -0.04 1.79 1.84 2bimB1 LYS 164 HG2 0.04 -0.05 -0.28 -0.04 1.46 1.12 2bimB1 LYS 164 HG3 0.02 0.01 -0.05 -0.04 1.46 1.40 2bimB1 LYS 164 HD2 0.00 0.03 -0.06 -0.04 1.69 1.62 2bimB1 LYS 164 HD3 0.02 -0.03 -0.05 -0.04 1.68 1.59 2bimB1 LYS 164 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.87 2bimB1 LYS 164 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 2bimB1 GLN 165 H 0.15 0.12 -0.01 -0.55 8.47 8.19 2bimB1 GLN 165 HA 0.04 0.09 0.50 -0.75 4.36 4.24 2bimB1 GLN 165 HB2 0.19 0.01 0.11 -0.04 2.15 2.41 2bimB1 GLN 165 HB3 -0.01 -0.09 0.03 -0.04 2.02 1.90 2bimB1 GLN 165 HG2 0.04 0.03 0.05 -0.04 2.40 2.48 2bimB1 GLN 165 HG3 0.09 -0.00 0.07 -0.04 2.39 2.51 2bimB1 GLN 165 HE21 0.09 0.05 0.03 -0.04 6.97 7.09 2bimB1 GLN 165 HE22 0.04 -0.02 0.03 -0.04 7.69 7.70 2bimB1 SER 166 H -0.00 0.18 0.20 -0.55 8.46 8.29 2bimB1 SER 166 HA 0.01 0.14 0.32 -0.75 4.49 4.21 2bimB1 SER 166 HB2 -0.01 0.04 0.06 -0.04 3.95 3.99 2bimB1 SER 166 HB3 -0.00 0.06 0.14 -0.04 3.93 4.09 2bimB1 GLN 167 H -0.12 0.02 -0.33 -0.55 8.47 7.49 2bimB1 GLN 167 HA -0.13 0.12 0.45 -0.75 4.36 4.05 2bimB1 GLN 167 HB2 -0.33 0.04 0.06 -0.04 2.15 1.88 2bimB1 GLN 167 HB3 -0.18 -0.02 0.06 -0.04 2.02 1.84 2bimB1 GLN 167 HG2 -0.28 -0.14 -0.04 -0.04 2.40 1.90 2bimB1 GLN 167 HG3 -1.33 0.08 -0.18 -0.04 2.39 0.92 2bimB1 GLN 167 HE21 -0.05 0.02 0.00 -0.04 6.97 6.91 2bimB1 GLN 167 HE22 -0.08 -0.06 0.01 -0.04 7.69 7.52 2bimB1 HIS 168 H -0.07 0.45 -0.29 -0.55 8.41 7.96 2bimB1 HIS 168 HA -0.05 0.22 0.96 -0.75 4.63 5.00 2bimB1 HIS 168 HB2 -0.06 -0.01 -0.00 -0.04 3.26 3.15 2bimB1 HIS 168 HB3 -0.44 0.04 0.09 -0.04 3.20 2.84 2bimB1 HIS 168 HD2 -0.08 -0.06 0.00 -0.04 6.97 6.78 2bimB1 HIS 168 HE1 -0.09 -0.00 -0.05 -0.04 7.75 7.56 2bimB1 MET 169 H 0.08 0.27 -0.10 -0.55 8.47 8.17 2bimB1 MET 169 HA 0.18 0.01 0.35 -0.75 4.52 4.31 2bimB1 MET 169 HB2 0.05 -0.01 0.02 -0.04 2.15 2.18 2bimB1 MET 169 HB3 0.08 0.17 -0.07 -0.04 2.03 2.16 2bimB1 MET 169 HG2 0.03 0.12 0.11 -0.04 2.63 2.85 2bimB1 MET 169 HG3 0.03 -0.01 -0.08 -0.04 2.56 2.46 2bimB1 MET 169 HE3 0.03 -0.00 -0.23 -0.04 2.10 1.86 2bimB1 THR 170 H 0.06 0.06 -0.40 -0.55 8.28 7.46 2bimB1 THR 170 HA 0.05 0.28 0.59 -0.75 4.39 4.56 2bimB1 THR 170 HB 0.04 0.00 0.09 -0.04 4.32 4.41 2bimB1 THR 170 HG23 0.02 -0.01 -0.08 -0.04 1.22 1.12 2bimB1 GLU 171 H 0.15 0.46 -0.29 -0.55 8.60 8.37 2bimB1 GLU 171 HA 0.08 0.06 0.72 -0.75 4.29 4.39 2bimB1 GLU 171 HB2 0.08 -0.09 0.08 -0.04 2.09 2.12 2bimB1 GLU 171 HB3 0.22 0.07 0.10 -0.04 1.99 2.34 2bimB1 GLU 171 HG2 0.15 0.20 -0.19 -0.04 2.34 2.46 2bimB1 GLU 171 HG3 0.06 -0.06 0.04 -0.04 2.34 2.33 2bimB1 VAL 172 H 0.05 0.09 0.15 -0.55 8.24 7.98 2bimB1 VAL 172 HA -0.04 0.07 0.43 -0.75 4.13 3.84 2bimB1 VAL 172 HB -0.05 -0.06 0.08 -0.04 2.12 2.04 2bimB1 VAL 172 HG13 -0.31 0.02 -0.11 -0.04 0.97 0.52 2bimB1 VAL 172 HG23 0.03 0.02 -0.00 -0.04 0.95 0.95 2bimB1 VAL 173 H -0.17 0.18 0.23 -0.55 8.24 7.93 2bimB1 VAL 173 HA -0.14 0.10 0.53 -0.75 4.13 3.86 2bimB1 VAL 173 HB -0.23 -0.01 0.11 -0.04 2.12 1.95 2bimB1 VAL 173 HG13 -0.22 -0.03 -0.16 -0.04 0.97 0.52 2bimB1 VAL 173 HG23 -0.89 0.02 -0.19 -0.04 0.95 -0.15 2bimB1 ARG 174 H 0.04 0.24 0.17 -0.55 8.46 8.36 2bimB1 ARG 174 HA 0.08 0.09 0.81 -0.75 4.34 4.57 2bimB1 ARG 174 HB2 0.15 0.01 0.14 -0.04 1.90 2.17 2bimB1 ARG 174 HB3 0.01 0.01 -0.21 -0.04 1.80 1.57 2bimB1 ARG 174 HG2 0.06 0.06 -0.04 -0.04 1.67 1.70 2bimB1 ARG 174 HG3 0.08 0.07 -0.29 -0.04 1.67 1.49 2bimB1 ARG 174 HD2 0.05 -0.02 -0.03 -0.04 3.22 3.18 2bimB1 ARG 174 HD3 0.08 0.01 -0.03 -0.04 3.22 3.24 2bimB1 ARG 175 H 0.11 0.56 0.20 -0.55 8.46 8.78 2bimB1 ARG 175 HA 0.08 -0.05 0.49 -0.75 4.34 4.11 2bimB1 ARG 175 HB2 0.08 0.08 0.02 -0.04 1.90 2.03 2bimB1 ARG 175 HB3 0.10 -0.14 -0.05 -0.04 1.80 1.68 2bimB1 ARG 175 HG2 0.03 -0.14 -0.27 -0.04 1.67 1.25 2bimB1 ARG 175 HG3 0.07 -0.02 -0.60 -0.04 1.67 1.08 2bimB1 ARG 175 HD2 0.02 0.29 -0.39 -0.04 3.22 3.10 2bimB1 ARG 175 HD3 0.04 0.45 -0.17 -0.04 3.22 3.50 2bimB1 CYS 176 H 0.15 -0.03 0.15 -0.55 8.50 8.22 2bimB1 CYS 176 HA 0.09 0.36 0.18 -0.75 4.58 4.46 2bimB1 CYS 176 HB2 0.11 0.37 0.00 -0.04 2.97 3.41 2bimB1 CYS 176 HB3 0.14 -0.09 -0.00 -0.04 2.97 2.98 2bimB1 PRO 177 HA 0.04 0.12 0.38 -0.51 4.44 4.47 2bimB1 PRO 177 HB2 0.05 -0.02 0.01 -0.04 2.28 2.27 2bimB1 PRO 177 HB3 0.03 0.04 0.09 -0.04 2.02 2.14 2bimB1 PRO 177 HG2 0.04 0.00 0.10 -0.04 2.03 2.13 2bimB1 PRO 177 HG3 0.04 0.11 0.11 -0.04 2.03 2.25 2bimB1 PRO 177 HD2 0.07 0.20 0.22 -0.04 3.68 4.13 2bimB1 PRO 177 HD3 0.06 0.39 0.01 -0.04 3.65 4.06 2bimB1 HIS 178 H 0.11 0.03 -0.36 -0.55 8.41 7.65 2bimB1 HIS 178 HA -0.05 0.21 0.61 -0.75 4.63 4.65 2bimB1 HIS 178 HB2 -0.07 0.03 0.03 -0.04 3.26 3.21 2bimB1 HIS 178 HB3 -0.14 -0.10 0.09 -0.04 3.20 3.01 2bimB1 HIS 178 HD2 -0.88 -0.07 -0.07 -0.04 6.97 5.91 2bimB1 HIS 178 HE1 -0.07 0.03 -0.05 -0.04 7.75 7.62 2bimB1 HIS 179 H -0.01 0.00 -0.06 -0.55 8.41 7.80 2bimB1 HIS 179 HA -0.33 0.09 0.45 -0.75 4.63 4.08 2bimB1 HIS 179 HB2 0.01 -0.14 0.15 -0.04 3.26 3.24 2bimB1 HIS 179 HB3 -0.04 0.17 0.04 -0.04 3.20 3.33 2bimB1 HIS 179 HD2 -0.06 0.04 0.03 -0.04 6.97 6.94 2bimB1 HIS 179 HE1 0.22 -0.09 0.04 -0.04 7.75 7.88 2bimB1 GLU 180 H 0.03 0.52 -0.29 -0.55 8.60 8.32 2bimB1 GLU 180 HA 0.02 0.28 0.28 -0.75 4.29 4.11 2bimB1 GLU 180 HB2 0.02 -0.11 -0.11 -0.04 2.09 1.86 2bimB1 GLU 180 HB3 0.05 0.04 -0.09 -0.04 1.99 1.95 2bimB1 GLU 180 HG2 0.03 0.13 -0.14 -0.04 2.34 2.33 2bimB1 GLU 180 HG3 0.01 0.02 -0.30 -0.04 2.34 2.03 2bimB1 ARG 181 H -0.09 0.28 -0.82 -0.55 8.46 7.28 2bimB1 ARG 181 HA -0.03 0.17 0.95 -0.75 4.34 4.67 2bimB1 ARG 181 HB2 -0.04 0.13 0.08 -0.04 1.90 2.03 2bimB1 ARG 181 HB3 -0.02 -0.07 0.18 -0.04 1.80 1.85 2bimB1 ARG 181 HG2 -0.01 -0.02 -0.11 -0.04 1.67 1.50 2bimB1 ARG 181 HG3 -0.01 0.03 -0.17 -0.04 1.67 1.49 2bimB1 ARG 181 HD2 0.01 -0.05 0.00 -0.04 3.22 3.14 2bimB1 ARG 181 HD3 0.01 0.07 0.05 -0.04 3.22 3.31 2bimB1 CYS 182 H -0.10 0.43 -0.13 -0.55 8.50 8.15 2bimB1 CYS 182 HA -0.07 0.22 0.82 -0.75 4.58 4.79 2bimB1 CYS 182 HB2 -0.07 -0.03 0.14 -0.04 2.97 2.97 2bimB1 CYS 182 HB3 -0.38 0.03 0.02 -0.04 2.97 2.60 2bimB1 SER 183 H -0.04 0.12 -0.45 -0.55 8.46 7.55 2bimB1 SER 183 HA -0.03 -0.03 0.28 -0.75 4.49 3.96 2bimB1 SER 183 HB2 -0.01 0.13 -0.23 -0.04 3.95 3.80 2bimB1 SER 183 HB3 -0.02 -0.02 0.21 -0.04 3.93 4.07 2bimB1 ASP 184 H -0.03 0.09 -0.19 -0.55 8.40 7.72 2bimB1 ASP 184 HA -0.02 0.29 0.92 -0.75 4.63 5.06 2bimB1 ASP 184 HB2 -0.01 -0.02 0.11 -0.04 2.71 2.75 2bimB1 ASP 184 HB3 0.00 0.07 -0.10 -0.04 2.70 2.63 2bimB1 SER 185 H -0.04 0.02 -0.21 -0.55 8.46 7.68 2bimB1 SER 185 HA -0.09 0.11 0.40 -0.75 4.49 4.16 2bimB1 SER 185 HB2 -0.09 0.03 0.03 -0.04 3.95 3.88 2bimB1 SER 185 HB3 -0.06 -0.01 0.01 -0.04 3.93 3.82 2bimB1 ASP 186 H -0.10 0.11 0.14 -0.55 8.40 8.01 2bimB1 ASP 186 HA -0.03 0.25 0.67 -0.75 4.63 4.77 2bimB1 ASP 186 HB2 -0.02 0.02 0.21 -0.04 2.71 2.88 2bimB1 ASP 186 HB3 -0.03 0.11 0.09 -0.04 2.70 2.83 2bimB1 GLY 187 H -0.07 0.12 -0.55 -0.55 8.43 7.38 2bimB1 GLY 187 HA2 -0.05 0.03 0.24 -0.51 4.01 3.72 2bimB1 GLY 187 HA3 -0.04 0.17 0.59 -0.51 4.01 4.22 2bimB1 LEU 188 H -0.09 -0.07 -0.71 -0.55 8.37 6.96 2bimB1 LEU 188 HA -0.05 0.23 0.81 -0.75 4.35 4.59 2bimB1 LEU 188 HB2 0.00 -0.06 0.04 -0.04 1.64 1.58 2bimB1 LEU 188 HB3 0.14 0.03 -0.08 -0.04 1.64 1.68 2bimB1 LEU 188 HG 0.01 -0.02 -0.08 -0.04 1.64 1.51 2bimB1 LEU 188 HD13 0.08 0.02 0.03 -0.04 0.93 1.01 2bimB1 LEU 188 HD23 0.07 0.03 0.06 -0.04 0.89 1.01 2bimB1 ALA 189 H -0.31 -0.08 0.03 -0.55 8.40 7.49 2bimB1 ALA 189 HA -1.66 0.18 0.50 -0.75 4.34 2.61 2bimB1 ALA 189 HB3 -0.51 0.00 0.04 -0.04 1.41 0.90 2bimB1 PRO 190 HA -0.22 0.13 0.44 -0.51 4.44 4.28 2bimB1 PRO 190 HB2 -0.38 -0.13 0.04 -0.04 2.28 1.77 2bimB1 PRO 190 HB3 -0.20 0.06 0.10 -0.04 2.02 1.94 2bimB1 PRO 190 HG2 -0.63 0.04 0.02 -0.04 2.03 1.42 2bimB1 PRO 190 HG3 -0.30 0.12 0.07 -0.04 2.03 1.88 2bimB1 PRO 190 HD2 -1.19 0.04 0.20 -0.04 3.68 2.69 2bimB1 PRO 190 HD3 -0.78 0.28 0.30 -0.04 3.65 3.41 2bimB1 PRO 191 HA -0.07 0.13 0.39 -0.51 4.44 4.38 2bimB1 PRO 191 HB2 -0.03 0.24 0.12 -0.04 2.28 2.57 2bimB1 PRO 191 HB3 -0.05 -0.11 0.11 -0.04 2.02 1.92 2bimB1 PRO 191 HG2 -0.03 0.04 0.08 -0.04 2.03 2.08 2bimB1 PRO 191 HG3 -0.04 0.03 0.11 -0.04 2.03 2.09 2bimB1 PRO 191 HD2 -0.09 0.07 0.22 -0.04 3.68 3.84 2bimB1 PRO 191 HD3 -0.09 0.13 0.19 -0.04 3.65 3.84 2bimB1 GLN 192 H -0.02 0.05 -0.38 -0.55 8.47 7.58 2bimB1 GLN 192 HA 0.06 0.11 0.50 -0.75 4.36 4.28 2bimB1 GLN 192 HB2 0.01 0.01 -0.04 -0.04 2.15 2.09 2bimB1 GLN 192 HB3 0.18 0.01 0.06 -0.04 2.02 2.23 2bimB1 GLN 192 HG2 0.08 0.04 -0.01 -0.04 2.40 2.47 2bimB1 GLN 192 HG3 0.04 0.02 -0.06 -0.04 2.39 2.36 2bimB1 GLN 192 HE21 0.01 -0.00 0.00 -0.04 6.97 6.94 2bimB1 GLN 192 HE22 0.04 0.02 -0.01 -0.04 7.69 7.70 2bimB1 HIS 193 H 0.09 0.31 -0.37 -0.55 8.41 7.90 2bimB1 HIS 193 HA 0.10 0.02 0.48 -0.75 4.63 4.48 2bimB1 HIS 193 HB2 -0.11 0.16 0.03 -0.04 3.26 3.30 2bimB1 HIS 193 HB3 0.07 0.07 -0.14 -0.04 3.20 3.16 2bimB1 HIS 193 HD2 -0.56 -0.14 -0.12 -0.04 6.97 6.11 2bimB1 HIS 193 HE1 0.12 0.11 0.07 -0.04 7.75 8.00 2bimB1 LEU 194 H 0.09 0.18 0.15 -0.55 8.37 8.24 2bimB1 LEU 194 HA 0.04 0.04 0.28 -0.75 4.35 3.96 2bimB1 LEU 194 HB2 0.04 0.04 -0.14 -0.04 1.64 1.54 2bimB1 LEU 194 HB3 0.02 0.02 0.04 -0.04 1.64 1.68 2bimB1 LEU 194 HG 0.09 -0.01 -0.37 -0.04 1.64 1.31 2bimB1 LEU 194 HD13 0.06 -0.00 -0.09 -0.04 0.93 0.85 2bimB1 LEU 194 HD23 0.08 0.01 -0.13 -0.04 0.89 0.81 2bimB1 ILE 195 H 0.03 0.07 -0.08 -0.55 8.25 7.73 2bimB1 ILE 195 HA -0.20 0.29 0.93 -0.75 4.18 4.45 2bimB1 ILE 195 HB -0.03 -0.00 -0.00 -0.04 1.89 1.81 2bimB1 ILE 195 HG12 -0.35 0.02 -0.16 -0.04 1.49 0.96 2bimB1 ILE 195 HG13 -0.07 -0.10 -0.07 -0.04 1.21 0.93 2bimB1 ILE 195 HG23 -0.27 0.01 -0.20 -0.04 0.93 0.42 2bimB1 ILE 195 HD13 -0.13 0.01 -0.23 -0.04 0.88 0.49 2bimB1 ARG 196 H -0.01 0.57 0.33 -0.55 8.46 8.79 2bimB1 ARG 196 HA 0.39 0.17 0.85 -0.75 4.34 4.99 2bimB1 ARG 196 HB2 0.06 -0.03 -0.05 -0.04 1.90 1.84 2bimB1 ARG 196 HB3 0.14 0.03 -0.04 -0.04 1.80 1.88 2bimB1 ARG 196 HG2 0.04 0.01 -0.16 -0.04 1.67 1.52 2bimB1 ARG 196 HG3 0.04 0.08 -0.35 -0.04 1.67 1.40 2bimB1 ARG 196 HD2 -0.01 -0.00 -0.11 -0.04 3.22 3.06 2bimB1 ARG 196 HD3 -0.03 -0.09 -0.04 -0.04 3.22 3.02 2bimB1 VAL 197 H 0.20 0.18 0.11 -0.55 8.24 8.18 2bimB1 VAL 197 HA -0.03 0.27 0.98 -0.75 4.13 4.60 2bimB1 VAL 197 HB -0.05 -0.05 0.06 -0.04 2.12 2.05 2bimB1 VAL 197 HG13 -0.14 -0.00 -0.19 -0.04 0.97 0.60 2bimB1 VAL 197 HG23 -0.10 0.00 -0.17 -0.04 0.95 0.64 2bimB1 GLU 198 H -0.02 0.76 0.17 -0.55 8.60 8.97 2bimB1 GLU 198 HA 0.03 0.07 0.69 -0.75 4.29 4.32 2bimB1 GLU 198 HB2 0.05 0.02 -0.22 -0.04 2.09 1.90 2bimB1 GLU 198 HB3 0.10 -0.03 -0.04 -0.04 1.99 1.97 2bimB1 GLU 198 HG2 0.05 0.00 -0.17 -0.04 2.34 2.18 2bimB1 GLU 198 HG3 0.03 0.01 -0.05 -0.04 2.34 2.29 2bimB1 GLY 199 H 0.01 0.14 0.12 -0.55 8.43 8.16 2bimB1 GLY 199 HA2 -0.00 0.01 0.31 -0.51 4.01 3.81 2bimB1 GLY 199 HA3 -0.00 0.06 0.34 -0.51 4.01 3.89 2bimB1 ASN 200 H -0.01 0.21 -0.22 -0.55 8.53 7.96 2bimB1 ASN 200 HA -0.05 0.16 0.77 -0.75 4.76 4.88 2bimB1 ASN 200 HB2 -0.09 0.15 -0.23 -0.04 2.88 2.66 2bimB1 ASN 200 HB3 -0.06 -0.02 0.02 -0.04 2.79 2.68 2bimB1 ASN 200 HD21 -0.10 0.07 -0.02 -0.04 7.03 6.94 2bimB1 ASN 200 HD22 -0.12 0.04 -0.03 -0.04 7.74 7.58 2bimB1 LEU 201 H -0.03 0.21 0.06 -0.55 8.37 8.06 2bimB1 LEU 201 HA 0.00 0.12 0.46 -0.75 4.35 4.18 2bimB1 LEU 201 HB2 -0.02 -0.01 0.09 -0.04 1.64 1.66 2bimB1 LEU 201 HB3 -0.01 0.06 0.10 -0.04 1.64 1.74 2bimB1 LEU 201 HG -0.01 -0.05 0.01 -0.04 1.64 1.55 2bimB1 LEU 201 HD13 -0.01 0.01 0.02 -0.04 0.93 0.90 2bimB1 LEU 201 HD23 -0.00 0.01 0.02 -0.04 0.89 0.88 2bimB1 ARG 202 H -0.04 0.01 -0.40 -0.55 8.46 7.48 2bimB1 ARG 202 HA -0.02 0.21 0.72 -0.75 4.34 4.49 2bimB1 ARG 202 HB2 -0.05 -0.01 0.04 -0.04 1.90 1.85 2bimB1 ARG 202 HB3 -0.04 0.03 0.15 -0.04 1.80 1.90 2bimB1 ARG 202 HG2 -0.03 0.06 -0.06 -0.04 1.67 1.60 2bimB1 ARG 202 HG3 -0.03 -0.12 -0.08 -0.04 1.67 1.40 2bimB1 ARG 202 HD2 -0.03 0.02 0.01 -0.04 3.22 3.17 2bimB1 ARG 202 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.11 2bimB1 ALA 203 H -0.02 0.29 -0.36 -0.55 8.40 7.75 2bimB1 ALA 203 HA -0.10 0.16 0.54 -0.75 4.34 4.18 2bimB1 ALA 203 HB3 -0.08 -0.04 0.06 -0.04 1.41 1.31 2bimB1 GLU 204 H -0.17 0.67 0.44 -0.55 8.60 8.99 2bimB1 GLU 204 HA 0.01 0.16 0.92 -0.75 4.29 4.62 2bimB1 GLU 204 HB2 -0.05 -0.03 0.10 -0.04 2.09 2.06 2bimB1 GLU 204 HB3 -0.01 -0.02 0.01 -0.04 1.99 1.93 2bimB1 GLU 204 HG2 -0.01 0.03 -0.11 -0.04 2.34 2.21 2bimB1 GLU 204 HG3 -0.03 0.23 -0.28 -0.04 2.34 2.22 2bimB1 TYR 205 H 0.15 0.23 0.18 -0.55 8.29 8.31 2bimB1 TYR 205 HA 0.05 0.27 1.19 -0.75 4.56 5.32 2bimB1 TYR 205 HB2 -0.16 0.04 0.18 -0.04 3.06 3.08 2bimB1 TYR 205 HB3 -0.34 0.01 0.07 -0.04 2.98 2.68 2bimB1 TYR 205 HD2 0.03 0.06 -0.10 -0.04 7.15 7.10 2bimB1 TYR 205 HE2 0.01 0.13 -0.04 -0.04 6.85 6.91 2bimB1 LEU 206 H 0.19 0.68 0.37 -0.55 8.37 9.06 2bimB1 LEU 206 HA 0.10 0.19 1.01 -0.75 4.35 4.89 2bimB1 LEU 206 HB2 0.04 0.02 -0.11 -0.04 1.64 1.55 2bimB1 LEU 206 HB3 0.07 -0.00 0.04 -0.04 1.64 1.72 2bimB1 LEU 206 HG 0.06 -0.04 -0.48 -0.04 1.64 1.15 2bimB1 LEU 206 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 2bimB1 LEU 206 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.74 2bimB1 ASP 207 H 0.10 0.25 0.07 -0.55 8.40 8.28 2bimB1 ASP 207 HA 0.26 0.26 0.73 -0.75 4.63 5.12 2bimB1 ASP 207 HB2 0.12 -0.04 0.14 -0.04 2.71 2.88 2bimB1 ASP 207 HB3 0.17 0.03 -0.03 -0.04 2.70 2.83 2bimB1 ASP 208 H 0.08 0.73 -0.02 -0.55 8.40 8.64 2bimB1 ASP 208 HA -0.01 0.02 0.43 -0.75 4.63 4.31 2bimB1 ASP 208 HB2 -0.01 0.20 0.07 -0.04 2.71 2.94 2bimB1 ASP 208 HB3 -0.06 -0.21 0.16 -0.04 2.70 2.55 2bimB1 ARG 209 H -0.06 0.16 0.24 -0.55 8.46 8.25 2bimB1 ARG 209 HA -0.13 0.14 0.36 -0.75 4.34 3.96 2bimB1 ARG 209 HB2 -0.06 0.02 0.09 -0.04 1.90 1.91 2bimB1 ARG 209 HB3 -0.03 0.05 0.15 -0.04 1.80 1.93 2bimB1 ARG 209 HG2 -0.03 0.04 0.08 -0.04 1.67 1.72 2bimB1 ARG 209 HG3 -0.06 -0.13 0.18 -0.04 1.67 1.62 2bimB1 ARG 209 HD2 -0.04 -0.00 -0.01 -0.04 3.22 3.12 2bimB1 ARG 209 HD3 -0.08 0.02 -0.20 -0.04 3.22 2.92 2bimB1 ASN 210 H -0.19 -0.09 -0.32 -0.55 8.53 7.38 2bimB1 ASN 210 HA -0.29 0.24 0.85 -0.75 4.76 4.81 2bimB1 ASN 210 HB2 -0.12 -0.08 0.07 -0.04 2.88 2.72 2bimB1 ASN 210 HB3 -0.11 0.07 -0.02 -0.04 2.79 2.70 2bimB1 ASN 210 HD21 -0.05 0.01 -0.03 -0.04 7.03 6.92 2bimB1 ASN 210 HD22 -0.06 0.01 -0.01 -0.04 7.74 7.64 2bimB1 THR 211 H -0.21 -0.08 -0.01 -0.55 8.28 7.43 2bimB1 THR 211 HA -0.09 0.28 0.74 -0.75 4.39 4.57 2bimB1 THR 211 HB -0.01 0.14 0.08 -0.04 4.32 4.49 2bimB1 THR 211 HG23 -0.05 0.00 -0.05 -0.04 1.22 1.08 2bimB1 PHE 212 H -0.39 0.40 -0.09 -0.55 8.34 7.71 2bimB1 PHE 212 HA 0.04 0.10 0.24 -0.75 4.62 4.25 2bimB1 PHE 212 HB2 -0.01 0.30 0.13 -0.04 3.15 3.53 2bimB1 PHE 212 HB3 0.01 -0.08 0.12 -0.04 3.06 3.07 2bimB1 PHE 212 HD2 0.02 0.04 -0.17 -0.04 7.28 7.13 2bimB1 PHE 212 HE2 0.02 -0.04 -0.04 -0.04 7.38 7.28 2bimB1 PHE 212 HZ 0.01 -0.05 -0.01 -0.04 7.32 7.23 2bimB1 ARG 213 H 0.00 -0.10 -0.55 -0.55 8.46 7.26 2bimB1 ARG 213 HA -0.15 0.13 0.61 -0.75 4.34 4.17 2bimB1 ARG 213 HB2 -0.02 -0.13 0.02 -0.04 1.90 1.73 2bimB1 ARG 213 HB3 -0.06 0.09 0.08 -0.04 1.80 1.88 2bimB1 ARG 213 HG2 -0.05 0.00 0.03 -0.04 1.67 1.61 2bimB1 ARG 213 HG3 0.00 0.10 -0.07 -0.04 1.67 1.66 2bimB1 ARG 213 HD2 -0.02 -0.10 -0.02 -0.04 3.22 3.03 2bimB1 ARG 213 HD3 -0.04 0.03 0.04 -0.04 3.22 3.21 2bimB1 HIS 214 H -0.22 0.17 0.29 -0.55 8.41 8.11 2bimB1 HIS 214 HA -0.11 0.37 1.03 -0.75 4.63 5.17 2bimB1 HIS 214 HB2 -0.35 -0.05 0.20 -0.04 3.26 3.02 2bimB1 HIS 214 HB3 -1.33 -0.02 0.13 -0.04 3.20 1.94 2bimB1 HIS 214 HD2 -0.00 0.03 -0.25 -0.04 6.97 6.70 2bimB1 HIS 214 HE1 0.02 -0.01 -0.07 -0.04 7.75 7.65 2bimB1 SER 215 H 0.17 0.48 0.44 -0.55 8.46 9.00 2bimB1 SER 215 HA 0.02 0.20 0.75 -0.75 4.49 4.71 2bimB1 SER 215 HB2 0.01 0.04 0.05 -0.04 3.95 4.01 2bimB1 SER 215 HB3 0.01 0.06 -0.09 -0.04 3.93 3.86 2bimB1 VAL 216 H 0.00 0.49 0.38 -0.55 8.24 8.57 2bimB1 VAL 216 HA -0.30 0.31 1.13 -0.75 4.13 4.52 2bimB1 VAL 216 HB -0.21 0.08 -0.01 -0.04 2.12 1.93 2bimB1 VAL 216 HG13 0.07 -0.02 -0.08 -0.04 0.97 0.90 2bimB1 VAL 216 HG23 -0.68 -0.03 -0.12 -0.04 0.95 0.08 2bimB1 VAL 217 H -0.19 0.72 0.41 -0.55 8.24 8.64 2bimB1 VAL 217 HA -0.02 0.35 1.15 -0.75 4.13 4.85 2bimB1 VAL 217 HB -0.03 -0.06 -0.18 -0.04 2.12 1.81 2bimB1 VAL 217 HG13 -0.05 0.02 -0.05 -0.04 0.97 0.85 2bimB1 VAL 217 HG23 -0.02 0.00 -0.30 -0.04 0.95 0.59 2bimB1 VAL 218 H -0.02 0.57 0.32 -0.55 8.24 8.55 2bimB1 VAL 218 HA -0.06 0.27 0.81 -0.75 4.13 4.39 2bimB1 VAL 218 HB -0.08 0.05 0.02 -0.04 2.12 2.07 2bimB1 VAL 218 HG13 -0.10 -0.03 -0.22 -0.04 0.97 0.57 2bimB1 VAL 218 HG23 -0.06 0.03 -0.13 -0.04 0.95 0.75 2bimB1 PRO 219 HA -0.01 0.14 0.55 -0.51 4.44 4.60 2bimB1 PRO 219 HB2 -0.06 -0.02 -0.03 -0.04 2.28 2.12 2bimB1 PRO 219 HB3 -0.03 0.04 0.05 -0.04 2.02 2.04 2bimB1 PRO 219 HG2 -0.04 -0.02 0.05 -0.04 2.03 1.98 2bimB1 PRO 219 HG3 -0.03 0.07 0.02 -0.04 2.03 2.04 2bimB1 PRO 219 HD2 -0.06 0.01 0.12 -0.04 3.68 3.71 2bimB1 PRO 219 HD3 -0.05 0.30 0.12 -0.04 3.65 3.97 2bimB1 TYR 220 H 0.08 0.76 0.30 -0.55 8.29 8.88 2bimB1 TYR 220 HA -0.07 0.03 0.49 -0.75 4.56 4.25 2bimB1 TYR 220 HB2 -0.10 -0.05 -0.25 -0.04 3.06 2.62 2bimB1 TYR 220 HB3 -0.10 0.07 -0.09 -0.04 2.98 2.81 2bimB1 TYR 220 HD2 -0.08 -0.02 -0.25 -0.04 7.15 6.77 2bimB1 TYR 220 HE2 -0.06 -0.02 -0.20 -0.04 6.85 6.53 2bimB1 GLU 221 H -0.65 0.19 0.08 -0.55 8.60 7.67 2bimB1 GLU 221 HA -0.30 0.17 0.81 -0.75 4.29 4.21 2bimB1 GLU 221 HB2 -0.28 -0.04 0.04 -0.04 2.09 1.77 2bimB1 GLU 221 HB3 -0.23 0.07 -0.01 -0.04 1.99 1.78 2bimB1 GLU 221 HG2 -0.16 0.05 -0.41 -0.04 2.34 1.78 2bimB1 GLU 221 HG3 -0.14 -0.06 -0.07 -0.04 2.34 2.03 2bimB1 PRO 222 HA -0.18 0.07 0.34 -0.51 4.44 4.17 2bimB1 PRO 222 HB2 -0.07 0.05 -0.07 -0.04 2.28 2.15 2bimB1 PRO 222 HB3 0.01 0.02 0.06 -0.04 2.02 2.06 2bimB1 PRO 222 HG2 -0.02 -0.00 0.01 -0.04 2.03 1.98 2bimB1 PRO 222 HG3 0.08 0.08 -0.03 -0.04 2.03 2.12 2bimB1 PRO 222 HD2 -0.13 0.06 0.11 -0.04 3.68 3.68 2bimB1 PRO 222 HD3 -0.13 0.17 0.12 -0.04 3.65 3.77 2bimB1 PRO 223 HA -0.17 0.03 0.31 -0.51 4.44 4.10 2bimB1 PRO 223 HB2 -0.09 0.13 -0.16 -0.04 2.28 2.11 2bimB1 PRO 223 HB3 -0.17 -0.01 -0.32 -0.04 2.02 1.48 2bimB1 PRO 223 HG2 -0.09 0.13 -0.25 -0.04 2.03 1.77 2bimB1 PRO 223 HG3 -0.17 -0.07 -0.31 -0.04 2.03 1.43 2bimB1 PRO 223 HD2 -0.03 0.08 0.08 -0.04 3.68 3.76 2bimB1 PRO 223 HD3 0.00 0.08 0.10 -0.04 3.65 3.79 2bimB1 GLU 224 H -0.12 0.06 0.12 -0.55 8.60 8.12 2bimB1 GLU 224 HA -0.07 0.12 0.58 -0.75 4.29 4.16 2bimB1 GLU 224 HB2 -0.06 -0.06 0.13 -0.04 2.09 2.06 2bimB1 GLU 224 HB3 -0.09 0.03 0.08 -0.04 1.99 1.98 2bimB1 GLU 224 HG2 -0.09 -0.07 0.09 -0.04 2.34 2.22 2bimB1 GLU 224 HG3 -0.06 0.15 -0.14 -0.04 2.34 2.25 2bimB1 VAL 225 H -0.04 0.08 0.13 -0.55 8.24 7.86 2bimB1 VAL 225 HA -0.03 0.05 0.39 -0.75 4.13 3.79 2bimB1 VAL 225 HB -0.02 -0.01 0.08 -0.04 2.12 2.13 2bimB1 VAL 225 HG13 -0.01 0.01 -0.03 -0.04 0.97 0.89 2bimB1 VAL 225 HG23 -0.02 0.01 0.09 -0.04 0.95 0.99 2bimB1 GLY 226 H -0.01 0.13 0.17 -0.55 8.43 8.17 2bimB1 GLY 226 HA2 -0.00 -0.03 0.34 -0.51 4.01 3.80 2bimB1 GLY 226 HA3 -0.01 0.11 0.58 -0.51 4.01 4.17 2bimB1 SER 227 H -0.04 0.54 -0.12 -0.55 8.46 8.30 2bimB1 SER 227 HA -0.03 0.12 0.93 -0.75 4.49 4.75 2bimB1 SER 227 HB2 -0.07 0.00 -0.13 -0.04 3.95 3.71 2bimB1 SER 227 HB3 -0.10 0.06 0.04 -0.04 3.93 3.89 2bimB1 ASP 228 H -0.08 0.10 0.14 -0.55 8.40 8.01 2bimB1 ASP 228 HA -0.04 0.24 0.88 -0.75 4.63 4.95 2bimB1 ASP 228 HB2 0.18 -0.04 0.05 -0.04 2.71 2.86 2bimB1 ASP 228 HB3 0.27 0.03 0.11 -0.04 2.70 3.08 2bimB1 CYS 229 H -0.37 0.10 0.05 -0.55 8.50 7.73 2bimB1 CYS 229 HA -0.61 0.25 0.79 -0.75 4.58 4.26 2bimB1 CYS 229 HB2 -1.52 0.19 0.02 -0.04 2.97 1.62 2bimB1 CYS 229 HB3 -3.20 0.01 -0.24 -0.04 2.97 -0.51 2bimB1 THR 230 H -0.37 0.55 0.31 -0.55 8.28 8.22 2bimB1 THR 230 HA -0.24 0.13 0.88 -0.75 4.39 4.40 2bimB1 THR 230 HB -0.14 -0.07 0.08 -0.04 4.32 4.14 2bimB1 THR 230 HG23 -0.29 -0.01 -0.05 -0.04 1.22 0.83 2bimB1 THR 231 H -0.20 0.22 0.16 -0.55 8.28 7.90 2bimB1 THR 231 HA -0.14 0.32 1.09 -0.75 4.39 4.91 2bimB1 THR 231 HB -0.17 -0.01 0.02 -0.04 4.32 4.13 2bimB1 THR 231 HG23 -0.01 -0.01 -0.24 -0.04 1.22 0.92 2bimB1 ILE 232 H -0.10 0.69 0.34 -0.55 8.25 8.63 2bimB1 ILE 232 HA -0.27 0.17 0.84 -0.75 4.18 4.16 2bimB1 ILE 232 HB -0.19 0.02 0.03 -0.04 1.89 1.70 2bimB1 ILE 232 HG12 -0.17 0.05 -0.11 -0.04 1.49 1.22 2bimB1 ILE 232 HG13 -0.11 -0.04 -0.34 -0.04 1.21 0.68 2bimB1 ILE 232 HG23 -0.71 -0.00 -0.20 -0.04 0.93 -0.02 2bimB1 ILE 232 HD13 0.01 0.00 -0.15 -0.04 0.88 0.70 2bimB1 HIS 233 H -0.22 0.25 0.13 -0.55 8.41 8.02 2bimB1 HIS 233 HA -0.07 0.22 0.86 -0.75 4.63 4.87 2bimB1 HIS 233 HB2 -0.09 0.15 0.14 -0.04 3.26 3.42 2bimB1 HIS 233 HB3 -0.04 -0.03 -0.08 -0.04 3.20 3.01 2bimB1 HIS 233 HD2 -0.04 0.05 -0.33 -0.04 6.97 6.60 2bimB1 HIS 233 HE1 -0.03 -0.00 -0.07 -0.04 7.75 7.61 2bimB1 TYR 234 H 0.19 0.65 0.27 -0.55 8.29 8.84 2bimB1 TYR 234 HA 0.01 0.28 1.03 -0.75 4.56 5.13 2bimB1 TYR 234 HB2 0.16 0.05 0.05 -0.04 3.06 3.27 2bimB1 TYR 234 HB3 -0.14 -0.00 -0.05 -0.04 2.98 2.74 2bimB1 TYR 234 HD2 0.06 0.12 -0.13 -0.04 7.15 7.16 2bimB1 TYR 234 HE2 0.05 0.01 -0.17 -0.04 6.85 6.70 2bimB1 ASN 235 H 0.06 0.60 0.27 -0.55 8.53 8.91 2bimB1 ASN 235 HA 0.11 0.38 0.76 -0.75 4.76 5.25 2bimB1 ASN 235 HB2 0.02 -0.08 -0.06 -0.04 2.88 2.72 2bimB1 ASN 235 HB3 0.02 0.00 -0.14 -0.04 2.79 2.63 2bimB1 ASN 235 HD21 0.03 -0.13 -0.41 -0.04 7.03 6.48 2bimB1 ASN 235 HD22 0.07 0.41 -0.41 -0.04 7.74 7.76 2bimB1 TYR 236 H 0.22 0.25 0.11 -0.55 8.29 8.32 2bimB1 TYR 236 HA 0.01 0.27 0.87 -0.75 4.56 4.96 2bimB1 TYR 236 HB2 -0.01 -0.00 0.08 -0.04 3.06 3.08 2bimB1 TYR 236 HB3 -0.03 0.00 -0.02 -0.04 2.98 2.89 2bimB1 TYR 236 HD2 0.03 0.01 -0.18 -0.04 7.15 6.97 2bimB1 TYR 236 HE2 0.06 0.02 -0.19 -0.04 6.85 6.70 2bimB1 MET 237 H 0.00 0.71 0.22 -0.55 8.47 8.86 2bimB1 MET 237 HA -0.12 0.08 0.67 -0.75 4.52 4.39 2bimB1 MET 237 HB2 -0.03 0.09 0.06 -0.04 2.15 2.22 2bimB1 MET 237 HB3 -0.09 -0.03 0.11 -0.04 2.03 1.97 2bimB1 MET 237 HG2 -0.02 0.19 -0.10 -0.04 2.63 2.67 2bimB1 MET 237 HG3 -0.02 0.06 -0.12 -0.04 2.56 2.43 2bimB1 MET 237 HE3 -0.05 0.01 -0.06 -0.04 2.10 1.96 2bimB1 CYS 238 H -0.07 0.28 -0.19 -0.55 8.50 7.97 2bimB1 CYS 238 HA -0.37 0.10 0.63 -0.75 4.58 4.20 2bimB1 CYS 238 HB2 0.01 0.01 -0.05 -0.04 2.97 2.91 2bimB1 CYS 238 HB3 0.06 0.11 0.03 -0.04 2.97 3.13 2bimB1 TYR 239 H 0.07 0.08 0.15 -0.55 8.29 8.03 2bimB1 TYR 239 HA -0.04 0.19 0.57 -0.75 4.56 4.52 2bimB1 TYR 239 HB2 0.05 -0.06 0.12 -0.04 3.06 3.12 2bimB1 TYR 239 HB3 -0.01 -0.07 0.11 -0.04 2.98 2.97 2bimB1 TYR 239 HD2 0.04 0.05 -0.12 -0.04 7.15 7.09 2bimB1 TYR 239 HE2 0.05 0.07 -0.16 -0.04 6.85 6.77 2bimB1 SER 240 H -0.00 0.67 0.34 -0.55 8.46 8.93 2bimB1 SER 240 HA 0.05 0.14 0.43 -0.75 4.49 4.35 2bimB1 SER 240 HB2 -0.17 0.03 0.12 -0.04 3.95 3.89 2bimB1 SER 240 HB3 0.11 0.09 -0.04 -0.04 3.93 4.04 2bimB1 SER 241 H 0.10 0.06 -0.29 -0.55 8.46 7.78 2bimB1 SER 241 HA 0.06 0.12 0.56 -0.75 4.49 4.48 2bimB1 SER 241 HB2 0.03 0.05 0.07 -0.04 3.95 4.06 2bimB1 SER 241 HB3 0.04 0.03 0.02 -0.04 3.93 3.99 2bimB1 CYS 242 H 0.15 0.39 -0.36 -0.55 8.50 8.12 2bimB1 CYS 242 HA 0.14 0.02 0.39 -0.75 4.58 4.38 2bimB1 CYS 242 HB2 0.16 0.09 0.18 -0.04 2.97 3.36 2bimB1 CYS 242 HB3 0.18 0.04 0.04 -0.04 2.97 3.19 2bimB1 MET 243 H 0.07 0.09 0.24 -0.55 8.47 8.33 2bimB1 MET 243 HA 0.03 0.11 0.55 -0.75 4.52 4.46 2bimB1 MET 243 HB2 0.03 -0.04 0.16 -0.04 2.15 2.26 2bimB1 MET 243 HB3 0.02 0.05 0.06 -0.04 2.03 2.11 2bimB1 MET 243 HG2 0.02 0.01 0.12 -0.04 2.63 2.74 2bimB1 MET 243 HG3 0.01 0.01 0.06 -0.04 2.56 2.60 2bimB1 MET 243 HE3 0.00 0.00 0.04 -0.04 2.10 2.10 2bimB1 GLY 244 H 0.02 0.21 0.17 -0.55 8.43 8.28 2bimB1 GLY 244 HA2 0.02 0.07 0.38 -0.51 4.01 3.96 2bimB1 GLY 244 HA3 0.04 0.05 0.56 -0.51 4.01 4.14 2bimB1 GLY 245 H 0.06 0.14 -0.64 -0.55 8.43 7.44 2bimB1 GLY 245 HA2 0.08 0.31 0.67 -0.51 4.01 4.57 2bimB1 GLY 245 HA3 0.10 -0.16 0.24 -0.51 4.01 3.68 2bimB1 MET 246 H 0.12 0.08 0.12 -0.55 8.47 8.23 2bimB1 MET 246 HA 0.30 0.11 0.39 -0.75 4.52 4.56 2bimB1 MET 246 HB2 0.11 -0.03 0.16 -0.04 2.15 2.34 2bimB1 MET 246 HB3 0.16 0.13 0.14 -0.04 2.03 2.42 2bimB1 MET 246 HG2 0.15 0.05 0.01 -0.04 2.63 2.80 2bimB1 MET 246 HG3 0.10 -0.01 0.04 -0.04 2.56 2.64 2bimB1 MET 246 HE3 0.05 0.02 -0.30 -0.04 2.10 1.82 2bimB1 ASN 247 H 0.06 0.35 -0.30 -0.55 8.53 8.09 2bimB1 ASN 247 HA 0.02 0.00 0.10 -0.75 4.76 4.12 2bimB1 ASN 247 HB2 -0.04 0.22 -0.45 -0.04 2.88 2.58 2bimB1 ASN 247 HB3 -0.10 0.09 0.06 -0.04 2.79 2.80 2bimB1 ASN 247 HD21 -0.02 -0.04 0.04 -0.04 7.03 6.97 2bimB1 ASN 247 HD22 -0.05 0.05 0.09 -0.04 7.74 7.79 2bimB1 ARG 248 H 0.06 0.56 0.02 -0.55 8.46 8.54 2bimB1 ARG 248 HA 0.08 -0.10 0.06 -0.75 4.34 3.62 2bimB1 ARG 248 HB2 0.01 0.28 0.15 -0.04 1.90 2.31 2bimB1 ARG 248 HB3 0.04 -0.07 0.14 -0.04 1.80 1.86 2bimB1 ARG 248 HG2 0.05 -0.11 -0.07 -0.04 1.67 1.50 2bimB1 ARG 248 HG3 0.03 -0.05 -0.42 -0.04 1.67 1.19 2bimB1 ARG 248 HD2 0.01 0.06 -0.07 -0.04 3.22 3.17 2bimB1 ARG 248 HD3 0.03 -0.02 -0.03 -0.04 3.22 3.16 2bimB1 ARG 249 H 0.01 0.60 -0.36 -0.55 8.46 8.15 2bimB1 ARG 249 HA 0.00 0.09 0.75 -0.75 4.34 4.43 2bimB1 ARG 249 HB2 -0.18 0.07 0.16 -0.04 1.90 1.91 2bimB1 ARG 249 HB3 -0.20 -0.09 0.07 -0.04 1.80 1.54 2bimB1 ARG 249 HG2 -0.31 -0.09 -0.01 -0.04 1.67 1.22 2bimB1 ARG 249 HG3 -0.24 0.18 -0.06 -0.04 1.67 1.51 2bimB1 ARG 249 HD2 -1.75 -0.10 0.00 -0.04 3.22 1.33 2bimB1 ARG 249 HD3 -0.93 -0.07 -0.01 -0.04 3.22 2.18 2bimB1 PRO 250 HA 0.08 0.07 0.62 -0.51 4.44 4.70 2bimB1 PRO 250 HB2 0.03 0.06 0.06 -0.04 2.28 2.39 2bimB1 PRO 250 HB3 0.02 0.03 0.13 -0.04 2.02 2.16 2bimB1 PRO 250 HG2 0.08 -0.15 0.16 -0.04 2.03 2.09 2bimB1 PRO 250 HG3 0.04 0.05 0.10 -0.04 2.03 2.19 2bimB1 PRO 250 HD2 0.07 0.03 0.30 -0.04 3.68 4.04 2bimB1 PRO 250 HD3 0.05 0.24 0.25 -0.04 3.65 4.15 2bimB1 ILE 251 H 0.00 0.26 0.36 -0.55 8.25 8.32 2bimB1 ILE 251 HA -0.01 0.16 1.13 -0.75 4.18 4.71 2bimB1 ILE 251 HB -0.16 0.08 0.10 -0.04 1.89 1.87 2bimB1 ILE 251 HG12 -0.05 0.00 0.09 -0.04 1.49 1.50 2bimB1 ILE 251 HG13 -0.10 -0.07 -0.07 -0.04 1.21 0.92 2bimB1 ILE 251 HG23 -0.23 0.02 -0.18 -0.04 0.93 0.50 2bimB1 ILE 251 HD13 -0.05 -0.02 -0.12 -0.04 0.88 0.65 2bimB1 LEU 252 H -0.10 0.72 0.40 -0.55 8.37 8.83 2bimB1 LEU 252 HA -0.14 0.16 0.94 -0.75 4.35 4.55 2bimB1 LEU 252 HB2 -0.07 0.01 -0.02 -0.04 1.64 1.52 2bimB1 LEU 252 HB3 -0.08 0.04 -0.06 -0.04 1.64 1.50 2bimB1 LEU 252 HG -0.02 -0.09 -0.28 -0.04 1.64 1.21 2bimB1 LEU 252 HD13 -0.00 0.02 -0.11 -0.04 0.93 0.80 2bimB1 LEU 252 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 2bimB1 THR 253 H -0.51 0.79 0.38 -0.55 8.28 8.39 2bimB1 THR 253 HA -0.22 0.21 1.00 -0.75 4.39 4.63 2bimB1 THR 253 HB -1.57 -0.02 0.09 -0.04 4.32 2.79 2bimB1 THR 253 HG23 -0.23 -0.01 -0.23 -0.04 1.22 0.71 2bimB1 ILE 254 H -0.12 0.87 0.37 -0.55 8.25 8.82 2bimB1 ILE 254 HA -0.02 0.21 1.11 -0.75 4.18 4.72 2bimB1 ILE 254 HB -0.03 -0.05 0.12 -0.04 1.89 1.90 2bimB1 ILE 254 HG12 -0.01 -0.01 -0.07 -0.04 1.49 1.36 2bimB1 ILE 254 HG13 -0.06 -0.10 -0.27 -0.04 1.21 0.74 2bimB1 ILE 254 HG23 0.04 0.03 -0.14 -0.04 0.93 0.82 2bimB1 ILE 254 HD13 -0.02 0.07 -0.22 -0.04 0.88 0.67 2bimB1 ILE 255 H 0.14 0.59 0.27 -0.55 8.25 8.70 2bimB1 ILE 255 HA 0.10 0.37 1.16 -0.75 4.18 5.05 2bimB1 ILE 255 HB 0.33 -0.09 0.01 -0.04 1.89 2.10 2bimB1 ILE 255 HG12 0.26 -0.03 -0.27 -0.04 1.49 1.42 2bimB1 ILE 255 HG13 0.37 -0.02 -0.16 -0.04 1.21 1.36 2bimB1 ILE 255 HG23 0.32 0.00 -0.26 -0.04 0.93 0.95 2bimB1 ILE 255 HD13 0.04 0.02 -0.18 -0.04 0.88 0.71 2bimB1 THR 256 H 0.06 0.67 0.34 -0.55 8.28 8.80 2bimB1 THR 256 HA 0.05 0.26 1.20 -0.75 4.39 5.15 2bimB1 THR 256 HB -0.01 0.03 -0.03 -0.04 4.32 4.27 2bimB1 THR 256 HG23 0.05 -0.01 -0.17 -0.04 1.22 1.05 2bimB1 LEU 257 H -0.29 0.63 0.31 -0.55 8.37 8.47 2bimB1 LEU 257 HA -0.32 0.26 0.87 -0.75 4.35 4.41 2bimB1 LEU 257 HB2 -1.54 0.00 -0.01 -0.04 1.64 0.06 2bimB1 LEU 257 HB3 -0.48 -0.16 0.12 -0.04 1.64 1.07 2bimB1 LEU 257 HG -0.35 0.01 -0.12 -0.04 1.64 1.14 2bimB1 LEU 257 HD13 -0.44 0.06 -0.08 -0.04 0.93 0.42 2bimB1 LEU 257 HD23 -0.39 -0.01 -0.11 -0.04 0.89 0.33 2bimB1 GLU 258 H -0.12 0.77 0.35 -0.55 8.60 9.05 2bimB1 GLU 258 HA -0.05 0.22 1.04 -0.75 4.29 4.74 2bimB1 GLU 258 HB2 -0.04 0.01 -0.10 -0.04 2.09 1.92 2bimB1 GLU 258 HB3 -0.03 -0.09 -0.19 -0.04 1.99 1.65 2bimB1 GLU 258 HG2 -0.03 0.01 -0.39 -0.04 2.34 1.89 2bimB1 GLU 258 HG3 -0.05 0.02 -0.38 -0.04 2.34 1.89 2bimB1 ASP 259 H -0.02 0.39 0.16 -0.55 8.40 8.38 2bimB1 ASP 259 HA -0.05 0.18 0.59 -0.75 4.63 4.60 2bimB1 ASP 259 HB2 -0.01 -0.01 0.14 -0.04 2.71 2.79 2bimB1 ASP 259 HB3 -0.00 0.09 0.06 -0.04 2.70 2.81 2bimB1 SER 260 H -0.02 0.15 0.05 -0.55 8.46 8.09 2bimB1 SER 260 HA -0.02 0.26 0.34 -0.75 4.49 4.32 2bimB1 SER 260 HB2 -0.01 0.01 0.10 -0.04 3.95 4.01 2bimB1 SER 260 HB3 -0.02 0.09 0.10 -0.04 3.93 4.07 2bimB1 SER 261 H -0.01 -0.06 -0.38 -0.55 8.46 7.46 2bimB1 SER 261 HA -0.01 0.23 0.72 -0.75 4.49 4.67 2bimB1 SER 261 HB2 -0.01 -0.11 0.00 -0.04 3.95 3.80 2bimB1 SER 261 HB3 -0.01 0.04 0.05 -0.04 3.93 3.97 2bimB1 GLY 262 H -0.02 0.38 -0.28 -0.55 8.43 7.96 2bimB1 GLY 262 HA2 -0.02 0.08 0.18 -0.51 4.01 3.75 2bimB1 GLY 262 HA3 -0.01 0.17 0.68 -0.51 4.01 4.34 2bimB1 ASN 263 H -0.01 -0.10 -0.12 -0.55 8.53 7.75 2bimB1 ASN 263 HA -0.01 0.13 0.48 -0.75 4.76 4.61 2bimB1 ASN 263 HB2 0.01 -0.08 0.01 -0.04 2.88 2.77 2bimB1 ASN 263 HB3 0.01 0.07 0.04 -0.04 2.79 2.86 2bimB1 ASN 263 HD21 -0.00 0.06 -0.05 -0.04 7.03 7.00 2bimB1 ASN 263 HD22 0.00 -0.06 -0.02 -0.04 7.74 7.62 2bimB1 LEU 264 H 0.00 0.10 0.15 -0.55 8.37 8.07 2bimB1 LEU 264 HA 0.01 0.16 0.49 -0.75 4.35 4.26 2bimB1 LEU 264 HB2 0.00 0.03 0.10 -0.04 1.64 1.73 2bimB1 LEU 264 HB3 -0.00 -0.05 0.13 -0.04 1.64 1.68 2bimB1 LEU 264 HG 0.19 -0.02 -0.39 -0.04 1.64 1.37 2bimB1 LEU 264 HD13 0.07 0.03 -0.06 -0.04 0.93 0.93 2bimB1 LEU 264 HD23 -0.11 -0.01 -0.11 -0.04 0.89 0.63 2bimB1 LEU 265 H 0.01 0.76 0.50 -0.55 8.37 9.10 2bimB1 LEU 265 HA 0.14 0.10 0.93 -0.75 4.35 4.77 2bimB1 LEU 265 HB2 -0.08 0.08 -0.17 -0.04 1.64 1.43 2bimB1 LEU 265 HB3 0.11 -0.09 0.00 -0.04 1.64 1.63 2bimB1 LEU 265 HG 0.00 0.01 -0.26 -0.04 1.64 1.35 2bimB1 LEU 265 HD13 -0.09 -0.00 -0.24 -0.04 0.93 0.56 2bimB1 LEU 265 HD23 0.14 0.02 -0.04 -0.04 0.89 0.97 2bimB1 GLY 266 H 0.02 0.35 0.39 -0.55 8.43 8.64 2bimB1 GLY 266 HA2 0.16 0.14 0.44 -0.51 4.01 4.23 2bimB1 GLY 266 HA3 0.07 0.05 0.35 -0.51 4.01 3.97 2bimB1 ARG 267 H 0.34 0.78 0.40 -0.55 8.46 9.42 2bimB1 ARG 267 HA 0.29 0.26 0.96 -0.75 4.34 5.09 2bimB1 ARG 267 HB2 0.18 -0.07 -0.19 -0.04 1.90 1.77 2bimB1 ARG 267 HB3 0.23 0.05 0.03 -0.04 1.80 2.07 2bimB1 ARG 267 HG2 0.14 0.03 -0.26 -0.04 1.67 1.54 2bimB1 ARG 267 HG3 0.12 0.01 -0.06 -0.04 1.67 1.69 2bimB1 ARG 267 HD2 0.09 0.28 -0.38 -0.04 3.22 3.17 2bimB1 ARG 267 HD3 0.06 0.12 -0.32 -0.04 3.22 3.04 2bimB1 ASP 268 H 0.27 0.68 0.38 -0.55 8.40 9.18 2bimB1 ASP 268 HA 0.14 0.06 0.63 -0.75 4.63 4.71 2bimB1 ASP 268 HB2 0.01 0.05 -0.21 -0.04 2.71 2.52 2bimB1 ASP 268 HB3 0.13 -0.00 -0.01 -0.04 2.70 2.77 2bimB1 SER 269 H 0.19 0.27 0.27 -0.55 8.46 8.65 2bimB1 SER 269 HA 0.12 0.17 0.79 -0.75 4.49 4.83 2bimB1 SER 269 HB2 -0.01 0.03 0.11 -0.04 3.95 4.04 2bimB1 SER 269 HB3 0.05 0.06 -0.12 -0.04 3.93 3.89 2bimB1 PHE 270 H -0.26 0.55 0.40 -0.55 8.34 8.48 2bimB1 PHE 270 HA 0.08 0.18 0.74 -0.75 4.62 4.86 2bimB1 PHE 270 HB2 0.09 0.04 -0.01 -0.04 3.15 3.23 2bimB1 PHE 270 HB3 0.19 0.03 -0.12 -0.04 3.06 3.12 2bimB1 PHE 270 HD2 0.13 0.07 -0.26 -0.04 7.28 7.18 2bimB1 PHE 270 HE2 0.13 -0.01 -0.16 -0.04 7.38 7.30 2bimB1 PHE 270 HZ 0.18 0.00 -0.15 -0.04 7.32 7.31 2bimB1 GLU 271 H 0.12 0.71 0.46 -0.55 8.60 9.34 2bimB1 GLU 271 HA -0.08 0.18 0.93 -0.75 4.29 4.58 2bimB1 GLU 271 HB2 -0.02 0.02 0.18 -0.04 2.09 2.23 2bimB1 GLU 271 HB3 -0.05 -0.03 0.14 -0.04 1.99 2.01 2bimB1 GLU 271 HG2 -0.11 -0.06 -0.04 -0.04 2.34 2.10 2bimB1 GLU 271 HG3 -0.05 0.24 0.21 -0.04 2.34 2.70 2bimB1 VAL 272 H -0.11 0.55 0.33 -0.55 8.24 8.45 2bimB1 VAL 272 HA -0.14 0.30 1.01 -0.75 4.13 4.55 2bimB1 VAL 272 HB -0.26 -0.04 -0.05 -0.04 2.12 1.73 2bimB1 VAL 272 HG13 -0.69 -0.02 -0.23 -0.04 0.97 -0.01 2bimB1 VAL 272 HG23 -0.13 0.01 -0.27 -0.04 0.95 0.51 2bimB1 HIS 273 H -0.23 0.70 0.28 -0.55 8.41 8.61 2bimB1 HIS 273 HA -0.12 0.11 0.80 -0.75 4.63 4.66 2bimB1 HIS 273 HB2 -0.33 0.06 -0.11 -0.04 3.26 2.84 2bimB1 HIS 273 HB3 -0.50 -0.03 0.09 -0.04 3.20 2.72 2bimB1 HIS 273 HD2 0.26 -0.06 -0.17 -0.04 6.97 6.95 2bimB1 HIS 273 HE1 0.04 0.01 -0.08 -0.04 7.75 7.68 2bimB1 VAL 274 H -0.25 0.14 0.11 -0.55 8.24 7.69 2bimB1 VAL 274 HA -0.08 0.35 0.80 -0.75 4.13 4.45 2bimB1 VAL 274 HB -0.05 -0.28 0.31 -0.04 2.12 2.05 2bimB1 VAL 274 HG13 -0.10 0.06 -0.22 -0.04 0.97 0.67 2bimB1 VAL 274 HG23 -0.13 0.02 -0.09 -0.04 0.95 0.71 2bimB1 CYS 275 H 0.06 0.78 0.32 -0.55 8.50 9.11 2bimB1 CYS 275 HA 0.12 0.07 0.83 -0.75 4.58 4.84 2bimB1 CYS 275 HB2 0.10 -0.15 0.04 -0.04 2.97 2.92 2bimB1 CYS 275 HB3 -0.12 0.05 -0.26 -0.04 2.97 2.60 2bimB1 ALA 276 H 0.02 0.11 0.13 -0.55 8.40 8.10 2bimB1 ALA 276 HA 0.15 0.12 0.56 -0.75 4.34 4.42 2bimB1 ALA 276 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 2bimB1 CYS 277 H 0.07 0.00 -0.13 -0.55 8.50 7.89 2bimB1 CYS 277 HA 0.05 0.44 0.95 -0.75 4.58 5.27 2bimB1 CYS 277 HB2 0.03 0.07 -0.08 -0.04 2.97 2.94 2bimB1 CYS 277 HB3 0.03 -0.08 0.16 -0.04 2.97 3.04 2bimB1 PRO 278 HA 0.17 -0.02 0.23 -0.51 4.44 4.32 2bimB1 PRO 278 HB2 0.08 0.09 -0.27 -0.04 2.28 2.13 2bimB1 PRO 278 HB3 0.18 0.07 -0.40 -0.04 2.02 1.84 2bimB1 PRO 278 HG2 0.10 0.18 -0.31 -0.04 2.03 1.96 2bimB1 PRO 278 HG3 0.14 -0.03 -0.45 -0.04 2.03 1.65 2bimB1 PRO 278 HD2 0.07 0.36 0.00 -0.04 3.68 4.07 2bimB1 PRO 278 HD3 0.10 0.17 -0.72 -0.04 3.65 3.16 2bimB1 GLY 279 H 0.01 0.32 -0.33 -0.55 8.43 7.88 2bimB1 GLY 279 HA2 -0.07 0.02 0.27 -0.51 4.01 3.71 2bimB1 GLY 279 HA3 -0.03 0.22 -0.12 -0.51 4.01 3.57 2bimB1 ARG 280 H -0.03 0.17 -0.25 -0.55 8.46 7.79 2bimB1 ARG 280 HA -0.05 0.08 0.46 -0.75 4.34 4.07 2bimB1 ARG 280 HB2 -0.01 -0.02 0.09 -0.04 1.90 1.92 2bimB1 ARG 280 HB3 -0.01 0.09 0.12 -0.04 1.80 1.96 2bimB1 ARG 280 HG2 -0.02 -0.01 -0.25 -0.04 1.67 1.35 2bimB1 ARG 280 HG3 -0.02 -0.00 0.02 -0.04 1.67 1.63 2bimB1 ARG 280 HD2 -0.00 0.00 0.01 -0.04 3.22 3.18 2bimB1 ARG 280 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.16 2bimB1 ASP 281 H -0.04 0.52 -0.10 -0.55 8.40 8.22 2bimB1 ASP 281 HA -0.05 0.01 0.40 -0.75 4.63 4.23 2bimB1 ASP 281 HB2 0.08 0.09 0.03 -0.04 2.71 2.86 2bimB1 ASP 281 HB3 0.20 -0.00 -0.06 -0.04 2.70 2.80 2bimB1 ARG 282 H -0.49 0.68 -0.19 -0.55 8.46 7.91 2bimB1 ARG 282 HA -1.20 0.01 0.38 -0.75 4.34 2.78 2bimB1 ARG 282 HB2 -0.97 0.02 -0.01 -0.04 1.90 0.91 2bimB1 ARG 282 HB3 -0.37 0.10 0.06 -0.04 1.80 1.55 2bimB1 ARG 282 HG2 -0.22 -0.00 -0.33 -0.04 1.67 1.08 2bimB1 ARG 282 HG3 -0.31 -0.07 -0.07 -0.04 1.67 1.19 2bimB1 ARG 282 HD2 -0.08 0.00 -0.38 -0.04 3.22 2.72 2bimB1 ARG 282 HD3 -0.11 0.02 -0.23 -0.04 3.22 2.87 2bimB1 ARG 283 H -0.19 0.52 -0.14 -0.55 8.46 8.10 2bimB1 ARG 283 HA -0.10 -0.01 0.39 -0.75 4.34 3.86 2bimB1 ARG 283 HB2 -0.08 0.13 0.22 -0.04 1.90 2.13 2bimB1 ARG 283 HB3 -0.06 -0.03 -0.01 -0.04 1.80 1.66 2bimB1 ARG 283 HG2 -0.06 -0.04 0.04 -0.04 1.67 1.57 2bimB1 ARG 283 HG3 -0.08 0.01 0.07 -0.04 1.67 1.64 2bimB1 ARG 283 HD2 -0.04 -0.02 0.00 -0.04 3.22 3.12 2bimB1 ARG 283 HD3 -0.03 -0.08 -0.01 -0.04 3.22 3.06 2bimB1 THR 284 H -0.11 0.60 -0.14 -0.55 8.28 8.09 2bimB1 THR 284 HA -0.04 0.01 0.37 -0.75 4.39 3.98 2bimB1 THR 284 HB -0.06 0.06 0.18 -0.04 4.32 4.47 2bimB1 THR 284 HG23 -0.02 -0.01 -0.14 -0.04 1.22 1.01 2bimB1 GLU 285 H -0.09 0.65 -0.01 -0.55 8.60 8.60 2bimB1 GLU 285 HA -0.01 0.02 0.43 -0.75 4.29 3.97 2bimB1 GLU 285 HB2 0.02 0.08 0.11 -0.04 2.09 2.26 2bimB1 GLU 285 HB3 0.07 -0.02 -0.00 -0.04 1.99 1.99 2bimB1 GLU 285 HG2 0.02 -0.03 0.02 -0.04 2.34 2.31 2bimB1 GLU 285 HG3 0.03 0.07 0.08 -0.04 2.34 2.48 2bimB1 GLU 286 H -0.09 0.66 -0.22 -0.55 8.60 8.41 2bimB1 GLU 286 HA -0.03 0.01 0.46 -0.75 4.29 3.98 2bimB1 GLU 286 HB2 -0.07 0.13 0.10 -0.04 2.09 2.20 2bimB1 GLU 286 HB3 -0.04 -0.06 0.02 -0.04 1.99 1.86 2bimB1 GLU 286 HG2 -0.04 -0.09 -0.00 -0.04 2.34 2.17 2bimB1 GLU 286 HG3 -0.10 0.16 0.03 -0.04 2.34 2.40 2bimB1 GLU 287 H -0.04 0.49 -0.25 -0.55 8.60 8.25 2bimB1 GLU 287 HA -0.02 -0.01 0.50 -0.75 4.29 4.00 2bimB1 GLU 287 HB2 -0.03 -0.02 0.12 -0.04 2.09 2.12 2bimB1 GLU 287 HB3 -0.03 0.16 0.23 -0.04 1.99 2.31 2bimB1 GLU 287 HG2 -0.02 -0.08 -0.01 -0.04 2.34 2.19 2bimB1 GLU 287 HG3 -0.02 0.02 -0.16 -0.04 2.34 2.15 2bimB1 ASN 288 H -0.02 0.46 -0.06 -0.55 8.53 8.37 2bimB1 ASN 288 HA -0.01 0.03 0.36 -0.75 4.76 4.39 2bimB1 ASN 288 HB2 -0.01 0.10 0.14 -0.04 2.88 3.07 2bimB1 ASN 288 HB3 -0.01 -0.05 0.00 -0.04 2.79 2.70 2bimB1 ASN 288 HD21 -0.01 -0.08 -0.08 -0.04 7.03 6.82 2bimB1 ASN 288 HD22 -0.01 -0.03 -0.04 -0.04 7.74 7.62 2bimB1 LEU 289 H -0.01 0.34 -0.32 -0.55 8.37 7.83 2bimB1 LEU 289 HA -0.01 -0.02 0.35 -0.75 4.35 3.92 2bimB1 LEU 289 HB2 -0.01 0.07 0.13 -0.04 1.64 1.80 2bimB1 LEU 289 HB3 -0.01 0.06 0.03 -0.04 1.64 1.67 2bimB1 LEU 289 HG -0.00 -0.02 0.00 -0.04 1.64 1.58 2bimB1 LEU 289 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 2bimB1 LEU 289 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2bimB1 ARG 290 H -0.01 0.34 -0.39 -0.55 8.46 7.84 2bimB1 ARG 290 HA -0.01 -0.01 0.20 -0.75 4.34 3.77 2bimB1 ARG 290 HB2 -0.01 -0.03 0.10 -0.04 1.90 1.91 2bimB1 ARG 290 HB3 -0.01 0.25 0.15 -0.04 1.80 2.14 2bimB1 ARG 290 HG2 -0.01 -0.00 0.05 -0.04 1.67 1.67 2bimB1 ARG 290 HG3 -0.01 -0.04 0.05 -0.04 1.67 1.63 2bimB1 ARG 290 HD2 -0.01 -0.02 0.03 -0.04 3.22 3.17 2bimB1 ARG 290 HD3 -0.01 0.00 0.04 -0.04 3.22 3.21