============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 20 0.840 53.142 56.417 25.613 -99.200 -91.000 TYR 22 0.840 42.873 55.325 22.541 -99.200 -91.000 HIS 42 0.900 55.708 65.585 34.544 -99.200 -91.000 TRP 62 1.040 47.878 52.646 31.724 -99.200 -91.000 TRP6 62 1.020 49.326 53.560 30.094 -99.200 -91.000 HIS 68 0.900 53.824 58.504 37.148 -99.200 -91.000 PHE 74 1.000 38.376 64.390 22.503 -99.200 -91.000 HIS 78 0.900 35.454 60.618 12.224 -99.200 -91.000 TRP 79 1.040 29.777 63.169 12.427 -99.200 -91.000 TRP6 79 1.020 28.016 61.637 12.797 -99.200 -91.000 HIS 80 0.900 30.735 58.468 11.866 -99.200 -91.000 TYR 89 0.840 36.469 60.567 32.396 -99.200 -91.000 TYR 98 0.840 41.689 73.742 22.176 -99.200 -91.000 HIS 117 0.900 38.199 76.198 23.680 -99.200 -91.000 PHE 119 1.000 40.365 73.043 13.500 -99.200 -91.000 TYR 135 0.840 47.665 71.222 9.031 -99.200 -91.000 TYR 136 0.840 37.524 69.957 5.735 -99.200 -91.000 HIS 141 0.900 34.821 57.369 8.575 -99.200 -91.000 TRP 149 1.040 52.791 67.484 10.773 -99.200 -91.000 TRP6 149 1.020 53.782 65.382 10.407 -99.200 -91.000 PHE 157 1.000 44.188 59.524 15.437 -99.200 -91.000 TRP 181 1.040 38.663 58.818 1.922 -99.200 -91.000 TRP6 181 1.020 37.256 57.125 2.805 -99.200 -91.000 PHE 192 1.000 50.310 66.395 7.341 -99.200 -91.000 TYR 197 0.840 56.514 54.678 14.149 -99.200 -91.000 HIS 202 0.900 38.126 51.842 13.319 -99.200 -91.000 TYR 205 0.840 52.185 51.698 14.885 -99.200 -91.000 HIS 213 0.900 45.877 49.075 1.667 -99.200 -91.000 TYR 221 0.840 32.316 52.250 -2.662 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2znbB1 GLN 19 HA 0.02 -0.06 0.21 -0.75 4.36 3.78 2znbB1 GLN 19 HB2 -0.01 0.02 -0.01 -0.04 2.15 2.11 2znbB1 GLN 19 HB3 -0.01 -0.11 -0.11 -0.04 2.02 1.75 2znbB1 GLN 19 HG2 0.01 -0.04 0.04 -0.04 2.40 2.36 2znbB1 GLN 19 HG3 -0.06 0.34 0.06 -0.04 2.39 2.69 2znbB1 GLN 19 HE21 0.00 -0.02 -0.00 -0.04 6.97 6.91 2znbB1 GLN 19 HE22 -0.01 0.02 -0.04 -0.04 7.69 7.62 2znbB1 LYS 20 H 0.02 0.10 0.09 -0.55 8.42 8.09 2znbB1 SER 21 H 0.02 0.19 0.21 -0.55 8.46 8.33 2znbB1 SER 21 HA 0.02 0.05 0.25 -0.75 4.49 4.06 2znbB1 SER 21 HB2 0.01 0.05 0.12 -0.04 3.95 4.08 2znbB1 SER 21 HB3 0.01 -0.02 0.16 -0.04 3.93 4.03 2znbB1 VAL 22 H 0.01 0.57 0.42 -0.55 8.24 8.69 2znbB1 VAL 22 HA 0.03 0.10 0.90 -0.75 4.13 4.41 2znbB1 VAL 22 HB 0.03 -0.01 0.24 -0.04 2.12 2.34 2znbB1 VAL 22 HG13 0.16 0.02 -0.16 -0.04 0.97 0.95 2znbB1 VAL 22 HG23 0.14 0.04 0.09 -0.04 0.95 1.18 2znbB1 LYS 23 H -0.01 0.17 0.14 -0.55 8.42 8.17 2znbB1 LYS 23 HA -0.09 -0.02 0.59 -0.75 4.32 4.06 2znbB1 ILE 24 H -0.18 0.63 0.56 -0.55 8.25 8.71 2znbB1 ILE 24 HA -0.24 0.13 0.74 -0.75 4.18 4.06 2znbB1 ILE 24 HB -0.34 0.10 0.04 -0.04 1.89 1.65 2znbB1 ILE 24 HG12 -1.38 0.05 -0.13 -0.04 1.49 -0.02 2znbB1 ILE 24 HG13 -0.56 0.02 -0.09 -0.04 1.21 0.54 2znbB1 ILE 24 HG23 -0.56 -0.03 -0.12 -0.04 0.93 0.18 2znbB1 ILE 24 HD13 -1.00 -0.03 -0.18 -0.04 0.88 -0.37 2znbB1 SER 25 H -0.11 0.54 0.35 -0.55 8.46 8.69 2znbB1 SER 25 HA -0.03 0.19 0.46 -0.75 4.49 4.36 2znbB1 SER 25 HB2 -0.04 0.00 0.19 -0.04 3.95 4.06 2znbB1 SER 25 HB3 -0.07 0.14 -0.14 -0.04 3.93 3.82 2znbB1 ASP 26 H -0.03 0.17 0.14 -0.55 8.40 8.14 2znbB1 ASP 26 HA -0.02 0.11 0.40 -0.75 4.63 4.37 2znbB1 ASP 26 HB2 -0.02 -0.08 0.13 -0.04 2.71 2.70 2znbB1 ASP 26 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.68 2znbB1 ASP 27 H -0.04 -0.02 -0.15 -0.55 8.40 7.64 2znbB1 ASP 27 HA -0.02 0.33 1.02 -0.75 4.63 5.20 2znbB1 ASP 27 HB2 -0.01 0.14 0.27 -0.04 2.71 3.06 2znbB1 ASP 27 HB3 -0.01 0.02 0.00 -0.04 2.70 2.67 2znbB1 ILE 28 H -0.07 0.05 -0.19 -0.55 8.25 7.49 2znbB1 ILE 28 HA -0.04 0.42 1.30 -0.75 4.18 5.11 2znbB1 ILE 28 HB -0.17 -0.10 0.04 -0.04 1.89 1.62 2znbB1 ILE 28 HG12 -0.10 0.05 -0.08 -0.04 1.49 1.32 2znbB1 ILE 28 HG13 -0.08 -0.16 -0.37 -0.04 1.21 0.57 2znbB1 ILE 28 HG23 -0.21 0.02 -0.22 -0.04 0.93 0.49 2znbB1 ILE 28 HD13 -0.13 -0.02 -0.04 -0.04 0.88 0.65 2znbB1 SER 29 H -0.04 0.70 0.37 -0.55 8.46 8.95 2znbB1 SER 29 HA -0.14 0.08 0.98 -0.75 4.49 4.67 2znbB1 SER 29 HB2 -0.05 0.02 -0.08 -0.04 3.95 3.80 2znbB1 SER 29 HB3 -0.04 0.02 -0.09 -0.04 3.93 3.77 2znbB1 ILE 30 H -0.16 0.74 0.26 -0.55 8.25 8.54 2znbB1 ILE 30 HA -0.04 0.12 0.93 -0.75 4.18 4.44 2znbB1 ILE 30 HB -0.40 -0.05 -0.20 -0.04 1.89 1.20 2znbB1 ILE 30 HG12 0.09 0.00 -0.19 -0.04 1.49 1.35 2znbB1 ILE 30 HG13 0.03 0.03 -0.19 -0.04 1.21 1.04 2znbB1 ILE 30 HG23 -0.80 0.04 -0.07 -0.04 0.93 0.05 2znbB1 ILE 30 HD13 -0.17 -0.01 -0.18 -0.04 0.88 0.47 2znbB1 THR 31 H 0.02 0.66 0.31 -0.55 8.28 8.73 2znbB1 THR 31 HA 0.04 0.13 0.77 -0.75 4.39 4.58 2znbB1 THR 31 HB -0.00 0.01 0.11 -0.04 4.32 4.39 2znbB1 THR 31 HG23 0.01 0.01 -0.34 -0.04 1.22 0.86 2znbB1 GLN 32 H 0.01 0.16 0.08 -0.55 8.47 8.17 2znbB1 GLN 32 HA -0.51 0.05 0.69 -0.75 4.36 3.84 2znbB1 GLN 32 HB2 -0.30 -0.00 0.06 -0.04 2.15 1.87 2znbB1 GLN 32 HB3 -0.13 -0.04 0.12 -0.04 2.02 1.93 2znbB1 GLN 32 HG2 -0.34 -0.13 -0.23 -0.04 2.40 1.66 2znbB1 GLN 32 HG3 -1.03 0.11 0.10 -0.04 2.39 1.54 2znbB1 GLN 32 HE21 -0.02 -0.02 -0.06 -0.04 6.97 6.83 2znbB1 GLN 32 HE22 -0.07 -0.05 -0.05 -0.04 7.69 7.48 2znbB1 LEU 33 H -0.41 0.77 0.52 -0.55 8.37 8.69 2znbB1 LEU 33 HA -0.36 0.20 0.90 -0.75 4.35 4.34 2znbB1 LEU 33 HB2 -0.27 -0.00 -0.08 -0.04 1.64 1.25 2znbB1 LEU 33 HB3 -0.40 -0.03 0.06 -0.04 1.64 1.23 2znbB1 LEU 33 HG -0.42 -0.01 -0.13 -0.04 1.64 1.04 2znbB1 LEU 33 HD13 -0.44 -0.02 -0.14 -0.04 0.93 0.29 2znbB1 LEU 33 HD23 -1.31 0.02 -0.13 -0.04 0.89 -0.57 2znbB1 SER 34 H -0.29 0.51 0.29 -0.55 8.46 8.42 2znbB1 SER 34 HA -0.05 0.13 0.36 -0.75 4.49 4.17 2znbB1 SER 34 HB2 -0.03 0.00 0.26 -0.04 3.95 4.14 2znbB1 SER 34 HB3 -0.02 0.29 -0.16 -0.04 3.93 4.00 2znbB1 ASP 35 H -0.05 0.19 0.18 -0.55 8.40 8.17 2znbB1 ASP 35 HA -0.05 0.14 0.48 -0.75 4.63 4.45 2znbB1 ASP 35 HB2 -0.03 -0.02 0.17 -0.04 2.71 2.79 2znbB1 ASP 35 HB3 -0.01 0.05 0.06 -0.04 2.70 2.76 2znbB1 LYS 36 H -0.05 0.00 -0.08 -0.55 8.42 7.73 2znbB1 LYS 36 HA 0.06 0.26 0.87 -0.75 4.32 4.75 2znbB1 LYS 36 HB2 -0.03 -0.06 0.08 -0.04 1.87 1.81 2znbB1 LYS 36 HB3 -0.01 0.26 0.26 -0.04 1.79 2.26 2znbB1 LYS 36 HG2 -0.01 0.06 -0.10 -0.04 1.46 1.36 2znbB1 LYS 36 HG3 -0.02 -0.14 -0.08 -0.04 1.46 1.18 2znbB1 LYS 36 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.59 2znbB1 LYS 36 HD3 -0.03 0.07 0.08 -0.04 1.68 1.76 2znbB1 LYS 36 HE2 -0.03 -0.03 0.04 -0.04 2.99 2.92 2znbB1 LYS 36 HE3 -0.03 -0.02 0.00 -0.04 2.99 2.90 2znbB1 VAL 37 H -0.12 0.07 -0.24 -0.55 8.24 7.39 2znbB1 VAL 37 HA 0.07 0.44 1.23 -0.75 4.13 5.11 2znbB1 VAL 37 HB -0.10 -0.05 -0.04 -0.04 2.12 1.89 2znbB1 VAL 37 HG13 -0.09 0.01 -0.15 -0.04 0.97 0.69 2znbB1 VAL 37 HG23 -0.06 -0.02 -0.23 -0.04 0.95 0.60 2znbB1 TYR 38 H 0.19 0.69 0.42 -0.55 8.29 9.04 2znbB1 TYR 38 HA -0.08 0.12 0.93 -0.75 4.56 4.78 2znbB1 TYR 38 HB2 0.05 -0.05 -0.01 -0.04 3.06 3.01 2znbB1 TYR 38 HB3 0.02 0.02 -0.13 -0.04 2.98 2.84 2znbB1 TYR 38 HD2 0.07 0.01 -0.31 -0.04 7.15 6.87 2znbB1 TYR 38 HE2 0.10 0.04 -0.15 -0.04 6.85 6.81 2znbB1 THR 39 H -0.05 0.61 0.34 -0.55 8.28 8.63 2znbB1 THR 39 HA -0.18 0.22 1.11 -0.75 4.39 4.78 2znbB1 THR 39 HB -0.27 -0.05 -0.01 -0.04 4.32 3.96 2znbB1 THR 39 HG23 -0.20 0.00 0.05 -0.04 1.22 1.03 2znbB1 TYR 40 H -0.45 0.58 0.31 -0.55 8.29 8.19 2znbB1 TYR 40 HA -0.09 0.16 1.18 -0.75 4.56 5.05 2znbB1 TYR 40 HB2 -0.14 0.08 0.09 -0.04 3.06 3.05 2znbB1 TYR 40 HB3 -0.12 -0.04 -0.09 -0.04 2.98 2.69 2znbB1 TYR 40 HD2 -0.06 -0.02 -0.39 -0.04 7.15 6.64 2znbB1 TYR 40 HE2 -0.00 0.07 -0.24 -0.04 6.85 6.64 2znbB1 VAL 41 H 0.08 0.79 0.35 -0.55 8.24 8.90 2znbB1 VAL 41 HA -0.02 0.29 0.96 -0.75 4.13 4.61 2znbB1 VAL 41 HB 0.01 -0.05 0.11 -0.04 2.12 2.14 2znbB1 VAL 41 HG13 0.03 -0.01 -0.22 -0.04 0.97 0.72 2znbB1 VAL 41 HG23 -0.02 -0.00 -0.24 -0.04 0.95 0.65 2znbB1 SER 42 H 0.13 0.92 0.40 -0.55 8.46 9.36 2znbB1 SER 42 HA 0.05 0.23 1.04 -0.75 4.49 5.06 2znbB1 SER 42 HB2 0.30 0.03 -0.01 -0.04 3.95 4.24 2znbB1 SER 42 HB3 0.15 -0.05 0.16 -0.04 3.93 4.15 2znbB1 LEU 43 H 0.01 0.67 0.38 -0.55 8.37 8.89 2znbB1 LEU 43 HA 0.03 0.21 0.65 -0.75 4.35 4.49 2znbB1 LEU 43 HB2 0.00 -0.08 0.17 -0.04 1.64 1.68 2znbB1 LEU 43 HB3 0.01 -0.00 -0.24 -0.04 1.64 1.36 2znbB1 LEU 43 HG 0.01 0.06 -0.04 -0.04 1.64 1.62 2znbB1 LEU 43 HD13 -0.00 -0.00 -0.03 -0.04 0.93 0.85 2znbB1 LEU 43 HD23 0.02 0.01 -0.17 -0.04 0.89 0.71 2znbB1 ALA 44 H 0.02 0.71 0.17 -0.55 8.40 8.75 2znbB1 ALA 44 HA 0.00 0.06 0.77 -0.75 4.34 4.42 2znbB1 ALA 44 HB3 0.02 0.01 -0.10 -0.04 1.41 1.29 2znbB1 GLU 45 H 0.00 0.11 0.13 -0.55 8.60 8.30 2znbB1 GLU 45 HA -0.00 0.10 0.69 -0.75 4.29 4.33 2znbB1 GLU 45 HB2 -0.00 -0.01 0.05 -0.04 2.09 2.08 2znbB1 GLU 45 HB3 -0.00 -0.03 0.13 -0.04 1.99 2.05 2znbB1 GLU 45 HG2 -0.00 -0.01 -0.08 -0.04 2.34 2.20 2znbB1 GLU 45 HG3 -0.00 0.05 -0.33 -0.04 2.34 2.02 2znbB1 ILE 46 H -0.00 0.81 0.12 -0.55 8.25 8.63 2znbB1 GLY 50 HA2 -0.01 0.03 0.20 -0.51 4.01 3.73 2znbB1 GLY 50 HA3 -0.01 -0.06 0.39 -0.51 4.01 3.82 2znbB1 MET 51 H -0.00 0.20 0.04 -0.55 8.47 8.16 2znbB1 MET 51 HA -0.00 0.09 0.64 -0.75 4.52 4.49 2znbB1 MET 51 HB2 -0.00 -0.02 0.04 -0.04 2.15 2.13 2znbB1 MET 51 HB3 -0.00 0.00 0.17 -0.04 2.03 2.16 2znbB1 MET 51 HG2 -0.00 0.00 -0.05 -0.04 2.63 2.54 2znbB1 MET 51 HG3 0.00 0.03 -0.22 -0.04 2.56 2.32 2znbB1 MET 51 HE3 -0.00 -0.00 -0.05 -0.04 2.10 2.00 2znbB1 VAL 52 H -0.00 0.38 -0.08 -0.55 8.24 7.99 2znbB1 VAL 52 HA -0.00 0.12 0.59 -0.75 4.13 4.09 2znbB1 VAL 52 HB -0.02 0.01 0.10 -0.04 2.12 2.17 2znbB1 VAL 52 HG13 -0.07 -0.01 -0.11 -0.04 0.97 0.74 2znbB1 VAL 52 HG23 -0.03 -0.04 -0.06 -0.04 0.95 0.78 2znbB1 PRO 53 HA 0.06 0.35 0.88 -0.51 4.44 5.22 2znbB1 PRO 53 HB2 0.06 0.00 -0.08 -0.04 2.28 2.22 2znbB1 PRO 53 HB3 0.03 0.05 -0.02 -0.04 2.02 2.04 2znbB1 PRO 53 HG2 0.09 -0.08 0.12 -0.04 2.03 2.12 2znbB1 PRO 53 HG3 0.03 0.03 0.07 -0.04 2.03 2.12 2znbB1 PRO 53 HD2 0.01 0.02 0.24 -0.04 3.68 3.91 2znbB1 PRO 53 HD3 0.01 0.18 0.23 -0.04 3.65 4.03 2znbB1 SER 54 H 0.10 0.68 0.45 -0.55 8.46 9.13 2znbB1 SER 54 HA 0.17 0.20 1.10 -0.75 4.49 5.20 2znbB1 SER 54 HB2 0.13 0.05 0.17 -0.04 3.95 4.26 2znbB1 SER 54 HB3 0.18 -0.07 -0.09 -0.04 3.93 3.91 2znbB1 ASN 55 H -0.17 0.56 0.34 -0.55 8.53 8.71 2znbB1 ASN 55 HA -0.33 0.33 1.11 -0.75 4.76 5.12 2znbB1 ASN 55 HB2 -0.05 0.09 -0.10 -0.04 2.88 2.78 2znbB1 ASN 55 HB3 -0.22 -0.04 0.00 -0.04 2.79 2.49 2znbB1 ASN 55 HD21 0.01 0.20 -0.35 -0.04 7.03 6.86 2znbB1 ASN 55 HD22 0.02 0.36 -0.44 -0.04 7.74 7.63 2znbB1 GLY 56 H -0.98 0.41 0.40 -0.55 8.43 7.72 2znbB1 GLY 56 HA2 -0.40 0.06 0.79 -0.51 4.01 3.95 2znbB1 GLY 56 HA3 -0.47 0.15 0.24 -0.51 4.01 3.42 2znbB1 MET 57 H -0.27 0.53 0.42 -0.55 8.47 8.60 2znbB1 MET 57 HA -0.20 0.23 1.35 -0.75 4.52 5.15 2znbB1 MET 57 HB2 -0.17 -0.09 0.01 -0.04 2.15 1.85 2znbB1 MET 57 HB3 -0.18 0.11 0.14 -0.04 2.03 2.05 2znbB1 MET 57 HG2 -1.44 -0.08 -0.16 -0.04 2.63 0.91 2znbB1 MET 57 HG3 -0.59 -0.04 -0.04 -0.04 2.56 1.86 2znbB1 MET 57 HE3 -0.14 -0.01 -0.17 -0.04 2.10 1.74 2znbB1 ILE 58 H 0.06 0.71 0.31 -0.55 8.25 8.78 2znbB1 ILE 58 HA 0.10 0.27 0.91 -0.75 4.18 4.70 2znbB1 ILE 58 HB 0.14 -0.08 0.04 -0.04 1.89 1.96 2znbB1 ILE 58 HG12 0.09 0.03 -0.07 -0.04 1.49 1.50 2znbB1 ILE 58 HG13 0.20 -0.03 -0.59 -0.04 1.21 0.75 2znbB1 ILE 58 HG23 0.05 0.00 -0.21 -0.04 0.93 0.74 2znbB1 ILE 58 HD13 0.06 -0.02 -0.18 -0.04 0.88 0.70 2znbB1 VAL 59 H 0.06 0.66 0.29 -0.55 8.24 8.71 2znbB1 VAL 59 HA 0.06 0.32 1.14 -0.75 4.13 4.90 2znbB1 VAL 59 HB 0.02 -0.11 0.12 -0.04 2.12 2.11 2znbB1 VAL 59 HG13 -0.02 0.02 -0.08 -0.04 0.97 0.84 2znbB1 VAL 59 HG23 -0.00 -0.01 -0.20 -0.04 0.95 0.70 2znbB1 ILE 60 H 0.07 0.82 0.37 -0.55 8.25 8.96 2znbB1 ILE 60 HA 0.03 0.32 1.08 -0.75 4.18 4.86 2znbB1 ILE 60 HB 0.09 0.02 0.06 -0.04 1.89 2.02 2znbB1 ILE 60 HG12 0.06 -0.01 -0.63 -0.04 1.49 0.86 2znbB1 ILE 60 HG13 0.15 0.05 -0.27 -0.04 1.21 1.10 2znbB1 ILE 60 HG23 0.02 -0.01 -0.14 -0.04 0.93 0.76 2znbB1 ILE 60 HD13 -0.04 -0.00 -0.18 -0.04 0.88 0.62 2znbB1 ASN 61 H -0.00 0.64 0.19 -0.55 8.53 8.81 2znbB1 ASN 61 HA -0.04 0.00 0.42 -0.75 4.76 4.39 2znbB1 ASN 61 HB2 -0.02 0.06 -0.07 -0.04 2.88 2.81 2znbB1 ASN 61 HB3 -0.02 0.05 0.00 -0.04 2.79 2.78 2znbB1 ASN 61 HD21 -0.03 0.08 -0.06 -0.04 7.03 6.97 2znbB1 ASN 61 HD22 -0.02 0.30 -0.07 -0.04 7.74 7.90 2znbB1 ASN 62 H -0.12 0.15 0.11 -0.55 8.53 8.12 2znbB1 ASN 62 HA -0.25 0.03 0.37 -0.75 4.76 4.16 2znbB1 ASN 62 HB2 -0.02 0.12 -0.19 -0.04 2.88 2.75 2znbB1 ASN 62 HB3 -0.02 0.01 0.18 -0.04 2.79 2.92 2znbB1 ASN 62 HD21 -0.02 -0.02 0.03 -0.04 7.03 6.97 2znbB1 ASN 62 HD22 -0.02 0.03 0.03 -0.04 7.74 7.74 2znbB1 HIS 63 H -0.26 0.04 -0.14 -0.55 8.41 7.51 2znbB1 HIS 63 HA 0.01 0.11 0.33 -0.75 4.63 4.33 2znbB1 HIS 63 HB2 0.01 0.19 0.05 -0.04 3.26 3.47 2znbB1 HIS 63 HB3 0.01 0.02 0.27 -0.04 3.20 3.45 2znbB1 HIS 63 HD2 0.00 0.00 -0.12 -0.04 6.97 6.81 2znbB1 HIS 63 HE1 0.01 0.00 0.02 -0.04 7.75 7.73 2znbB1 GLN 64 H 0.02 0.24 -0.32 -0.55 8.47 7.86 2znbB1 GLN 64 HA 0.05 0.24 0.97 -0.75 4.36 4.87 2znbB1 GLN 64 HB2 0.02 0.20 0.03 -0.04 2.15 2.36 2znbB1 GLN 64 HB3 0.04 -0.10 -0.01 -0.04 2.02 1.91 2znbB1 GLN 64 HG2 0.05 -0.02 0.02 -0.04 2.40 2.41 2znbB1 GLN 64 HG3 0.07 0.10 -0.61 -0.04 2.39 1.91 2znbB1 GLN 64 HE21 0.03 -0.14 0.02 -0.04 6.97 6.84 2znbB1 GLN 64 HE22 0.06 0.35 0.07 -0.04 7.69 8.12 2znbB1 ALA 65 H 0.05 0.76 0.32 -0.55 8.40 8.98 2znbB1 ALA 65 HA 0.04 0.39 1.14 -0.75 4.34 5.16 2znbB1 ALA 65 HB3 0.05 -0.02 -0.25 -0.04 1.41 1.14 2znbB1 ALA 66 H 0.05 0.63 0.32 -0.55 8.40 8.85 2znbB1 ALA 66 HA 0.10 0.12 0.80 -0.75 4.34 4.61 2znbB1 ALA 66 HB3 0.04 -0.01 -0.04 -0.04 1.41 1.36 2znbB1 LEU 67 H 0.19 0.77 0.25 -0.55 8.37 9.03 2znbB1 LEU 67 HA 0.16 0.28 0.94 -0.75 4.35 4.98 2znbB1 LEU 67 HB2 0.17 -0.03 0.00 -0.04 1.64 1.75 2znbB1 LEU 67 HB3 0.35 -0.03 0.16 -0.04 1.64 2.09 2znbB1 LEU 67 HG 0.39 0.11 -0.37 -0.04 1.64 1.73 2znbB1 LEU 67 HD13 0.10 0.03 -0.06 -0.04 0.93 0.97 2znbB1 LEU 67 HD23 0.10 -0.05 -0.13 -0.04 0.89 0.77 2znbB1 LEU 68 H 0.12 0.64 0.19 -0.55 8.37 8.77 2znbB1 LEU 68 HA 0.02 0.22 0.94 -0.75 4.35 4.77 2znbB1 LEU 68 HB2 -0.06 -0.16 0.26 -0.04 1.64 1.63 2znbB1 LEU 68 HB3 0.32 0.03 0.09 -0.04 1.64 2.03 2znbB1 LEU 68 HG 0.04 0.04 -0.24 -0.04 1.64 1.43 2znbB1 LEU 68 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.87 2znbB1 LEU 68 HD23 0.04 0.01 -0.25 -0.04 0.89 0.65 2znbB1 ASP 69 H 0.06 0.27 0.05 -0.55 8.40 8.22 2znbB1 ASP 69 HA 0.38 -0.02 0.50 -0.75 4.63 4.74 2znbB1 ASP 69 HB2 0.30 0.22 0.42 -0.04 2.71 3.60 2znbB1 ASP 69 HB3 0.25 0.25 0.09 -0.04 2.70 3.24 2znbB1 THR 70 H 0.33 0.48 0.06 -0.55 8.28 8.60 2znbB1 THR 70 HA 0.16 0.19 0.56 -0.75 4.39 4.54 2znbB1 THR 70 HB -0.04 0.00 -0.03 -0.04 4.32 4.21 2znbB1 THR 70 HG23 -0.38 0.01 -0.28 -0.04 1.22 0.52 2znbB1 PRO 71 HA 0.15 0.18 0.45 -0.51 4.44 4.71 2znbB1 PRO 71 HB2 -0.05 -0.08 -0.16 -0.04 2.28 1.94 2znbB1 PRO 71 HB3 -0.01 0.01 -0.01 -0.04 2.02 1.97 2znbB1 PRO 71 HG2 -0.22 0.11 -0.26 -0.04 2.03 1.62 2znbB1 PRO 71 HG3 -0.16 0.12 -0.13 -0.04 2.03 1.82 2znbB1 PRO 71 HD2 -0.11 0.00 0.04 -0.04 3.68 3.57 2znbB1 PRO 71 HD3 -0.19 0.25 -0.08 -0.04 3.65 3.59 2znbB1 ILE 72 H 0.05 0.16 0.00 -0.55 8.25 7.91 2znbB1 ILE 72 HA 0.04 0.27 0.34 -0.75 4.18 4.09 2znbB1 ILE 72 HB 0.04 0.03 0.03 -0.04 1.89 1.95 2znbB1 ILE 72 HG12 0.02 0.05 -0.05 -0.04 1.49 1.47 2znbB1 ILE 72 HG13 0.03 0.01 0.07 -0.04 1.21 1.27 2znbB1 ILE 72 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.67 2znbB1 ILE 72 HD13 0.04 0.05 -0.28 -0.04 0.88 0.64 2znbB1 ASN 73 H -0.01 0.07 -0.38 -0.55 8.53 7.67 2znbB1 ASN 73 HA -0.00 0.41 0.56 -0.75 4.76 4.98 2znbB1 ASN 73 HB2 -0.01 -0.08 0.14 -0.04 2.88 2.88 2znbB1 ASN 73 HB3 -0.00 0.18 -0.11 -0.04 2.79 2.82 2znbB1 ASN 73 HD21 -0.02 0.04 -0.06 -0.04 7.03 6.95 2znbB1 ASN 73 HD22 -0.01 0.12 -0.16 -0.04 7.74 7.65 2znbB1 ASP 74 H -0.02 0.28 0.14 -0.55 8.40 8.26 2znbB1 ASP 74 HA -0.05 0.11 0.41 -0.75 4.63 4.34 2znbB1 ASP 74 HB2 -0.01 -0.00 0.04 -0.04 2.71 2.70 2znbB1 ASP 74 HB3 0.02 0.06 -0.07 -0.04 2.70 2.67 2znbB1 ALA 75 H -0.07 0.13 -0.08 -0.55 8.40 7.83 2znbB1 ALA 75 HA -0.14 0.15 0.54 -0.75 4.34 4.14 2znbB1 ALA 75 HB3 -0.06 0.03 0.05 -0.04 1.41 1.39 2znbB1 GLN 76 H -0.09 0.10 -0.27 -0.55 8.47 7.67 2znbB1 GLN 76 HA -0.11 0.09 0.38 -0.75 4.36 3.97 2znbB1 GLN 76 HB2 -0.07 0.00 -0.05 -0.04 2.15 1.99 2znbB1 GLN 76 HB3 -0.09 0.05 -0.04 -0.04 2.02 1.89 2znbB1 GLN 76 HG2 -0.06 0.02 -0.03 -0.04 2.40 2.28 2znbB1 GLN 76 HG3 -0.05 -0.05 -0.03 -0.04 2.39 2.22 2znbB1 GLN 76 HE21 -0.01 0.10 -0.06 -0.04 6.97 6.96 2znbB1 GLN 76 HE22 -0.05 -0.09 -0.09 -0.04 7.69 7.42 2znbB1 THR 77 H -0.16 0.24 -0.31 -0.55 8.28 7.50 2znbB1 THR 77 HA -0.17 0.07 0.43 -0.75 4.39 3.97 2znbB1 THR 77 HB -0.18 0.03 0.17 -0.04 4.32 4.29 2znbB1 THR 77 HG23 0.03 0.03 -0.11 -0.04 1.22 1.13 2znbB1 GLU 78 H -0.50 0.61 -0.20 -0.55 8.60 7.95 2znbB1 GLU 78 HA -0.78 0.04 0.33 -0.75 4.29 3.13 2znbB1 GLU 78 HB2 -1.41 -0.01 0.10 -0.04 2.09 0.72 2znbB1 GLU 78 HB3 -0.44 0.14 0.23 -0.04 1.99 1.88 2znbB1 GLU 78 HG2 -0.17 0.01 -0.30 -0.04 2.34 1.84 2znbB1 GLU 78 HG3 -0.18 -0.02 0.01 -0.04 2.34 2.12 2znbB1 THR 79 H -0.20 0.40 -0.17 -0.55 8.28 7.77 2znbB1 THR 79 HA -0.05 0.03 0.37 -0.75 4.39 3.99 2znbB1 THR 79 HB -0.12 0.02 0.14 -0.04 4.32 4.33 2znbB1 THR 79 HG23 -0.06 -0.01 -0.11 -0.04 1.22 1.00 2znbB1 LEU 80 H -0.16 0.58 -0.19 -0.55 8.37 8.05 2znbB1 LEU 80 HA -0.12 -0.01 0.33 -0.75 4.35 3.80 2znbB1 LEU 80 HB2 -0.32 -0.04 0.05 -0.04 1.64 1.29 2znbB1 LEU 80 HB3 -0.22 0.13 0.14 -0.04 1.64 1.65 2znbB1 LEU 80 HG -0.15 0.02 -0.30 -0.04 1.64 1.16 2znbB1 LEU 80 HD13 -0.25 -0.02 -0.05 -0.04 0.93 0.56 2znbB1 LEU 80 HD23 -0.81 -0.01 -0.13 -0.04 0.89 -0.10 2znbB1 VAL 81 H -0.06 0.59 -0.21 -0.55 8.24 8.01 2znbB1 VAL 81 HA 0.06 -0.00 0.34 -0.75 4.13 3.77 2znbB1 VAL 81 HB 0.12 0.04 0.13 -0.04 2.12 2.37 2znbB1 VAL 81 HG13 0.15 -0.02 -0.15 -0.04 0.97 0.92 2znbB1 VAL 81 HG23 0.16 0.01 -0.04 -0.04 0.95 1.04 2znbB1 ASN 82 H 0.02 0.72 -0.04 -0.55 8.53 8.69 2znbB1 ASN 82 HA 0.03 0.03 0.51 -0.75 4.76 4.58 2znbB1 ASN 82 HB2 0.03 0.12 0.19 -0.04 2.88 3.17 2znbB1 ASN 82 HB3 0.03 -0.05 0.03 -0.04 2.79 2.75 2znbB1 ASN 82 HD21 0.02 -0.05 -0.03 -0.04 7.03 6.92 2znbB1 ASN 82 HD22 -0.00 -0.03 -0.05 -0.04 7.74 7.61 2znbB1 TRP 83 H 0.20 0.59 -0.17 -0.55 7.97 8.05 2znbB1 TRP 83 HA -0.08 0.01 0.43 -0.75 4.62 4.22 2znbB1 TRP 83 HB2 -0.08 0.06 0.09 -0.04 3.23 3.25 2znbB1 TRP 83 HB3 -0.10 0.12 0.11 -0.04 3.23 3.32 2znbB1 TRP 83 HD1 -0.06 0.03 0.03 -0.04 7.22 7.19 2znbB1 TRP 83 HE1 -0.04 0.05 -0.02 -0.04 10.20 10.15 2znbB1 TRP 83 HE3 -0.16 0.07 -0.26 -0.04 7.59 7.19 2znbB1 TRP 83 HZ2 -0.04 0.03 -0.09 -0.04 7.44 7.31 2znbB1 TRP 83 HZ3 -0.40 -0.00 -0.16 -0.04 7.13 6.53 2znbB1 TRP 83 HH2 -0.15 0.01 -0.13 -0.04 7.19 6.87 2znbB1 VAL 84 H 0.25 0.55 -0.10 -0.55 8.24 8.39 2znbB1 VAL 84 HA -0.13 -0.06 0.38 -0.75 4.13 3.56 2znbB1 VAL 84 HB 0.05 0.18 0.09 -0.04 2.12 2.40 2znbB1 VAL 84 HG13 -0.02 0.04 -0.24 -0.04 0.97 0.71 2znbB1 VAL 84 HG23 0.17 0.03 -0.03 -0.04 0.95 1.08 2znbB1 ALA 85 H -0.05 0.32 -0.45 -0.55 8.40 7.67 2znbB1 ALA 85 HA -0.09 0.24 0.50 -0.75 4.34 4.24 2znbB1 ALA 85 HB3 -0.03 -0.01 0.14 -0.04 1.41 1.47 2znbB1 ASP 86 H -0.21 0.55 0.05 -0.55 8.40 8.24 2znbB1 ASP 86 HA -0.19 0.07 0.38 -0.75 4.63 4.13 2znbB1 ASP 86 HB2 -0.21 0.02 0.18 -0.04 2.71 2.66 2znbB1 ASP 86 HB3 -0.16 -0.05 0.06 -0.04 2.70 2.51 2znbB1 SER 87 H -0.82 0.69 0.10 -0.55 8.46 7.88 2znbB1 SER 87 HA -0.58 0.20 0.84 -0.75 4.49 4.20 2znbB1 SER 87 HB2 -2.00 0.00 -0.03 -0.04 3.95 1.88 2znbB1 SER 87 HB3 -0.68 -0.02 -0.01 -0.04 3.93 3.17 2znbB1 LEU 88 H -0.78 0.20 0.03 -0.55 8.37 7.28 2znbB1 LEU 88 HA -0.31 0.15 0.79 -0.75 4.35 4.23 2znbB1 LEU 88 HB2 -0.32 0.13 0.15 -0.04 1.64 1.55 2znbB1 LEU 88 HB3 -0.20 -0.04 0.03 -0.04 1.64 1.39 2znbB1 LEU 88 HG -0.82 -0.05 -0.11 -0.04 1.64 0.62 2znbB1 LEU 88 HD13 -0.59 -0.02 -0.12 -0.04 0.93 0.16 2znbB1 LEU 88 HD23 -0.26 0.02 -0.12 -0.04 0.89 0.49 2znbB1 HIS 89 H -0.69 0.06 -0.57 -0.55 8.41 6.65 2znbB1 HIS 89 HA -0.09 0.41 0.34 -0.75 4.63 4.53 2znbB1 HIS 89 HB2 -0.00 0.07 0.09 -0.04 3.26 3.39 2znbB1 HIS 89 HB3 -0.08 -0.09 0.17 -0.04 3.20 3.15 2znbB1 HIS 89 HD2 -0.06 -0.01 -0.25 -0.04 6.97 6.61 2znbB1 HIS 89 HE1 -0.10 -0.03 0.07 -0.04 7.75 7.65 2znbB1 ALA 90 H -0.09 0.56 -0.08 -0.55 8.40 8.25 2znbB1 ALA 90 HA 0.10 0.17 0.54 -0.75 4.34 4.39 2znbB1 ALA 90 HB3 0.02 -0.02 -0.36 -0.04 1.41 1.01 2znbB1 LYS 91 H 0.05 0.58 0.04 -0.55 8.42 8.54 2znbB1 LYS 91 HA 0.02 0.13 0.82 -0.75 4.32 4.54 2znbB1 LYS 91 HB2 0.02 0.01 0.03 -0.04 1.87 1.89 2znbB1 LYS 91 HB3 0.04 0.10 0.21 -0.04 1.79 2.09 2znbB1 LYS 91 HG2 0.03 0.04 -0.40 -0.04 1.46 1.09 2znbB1 LYS 91 HG3 0.02 -0.00 -0.01 -0.04 1.46 1.42 2znbB1 LYS 91 HD2 0.02 0.01 0.02 -0.04 1.69 1.69 2znbB1 LYS 91 HD3 0.03 -0.02 -0.04 -0.04 1.68 1.60 2znbB1 LYS 91 HE2 0.01 -0.03 -0.00 -0.04 2.99 2.93 2znbB1 LYS 91 HE3 0.01 -0.04 0.00 -0.04 2.99 2.92 2znbB1 VAL 92 H 0.04 0.18 0.03 -0.55 8.24 7.94 2znbB1 VAL 92 HA 0.07 0.16 0.75 -0.75 4.13 4.35 2znbB1 VAL 92 HB 0.07 -0.01 0.11 -0.04 2.12 2.25 2znbB1 VAL 92 HG13 0.11 -0.01 -0.16 -0.04 0.97 0.88 2znbB1 VAL 92 HG23 0.07 -0.00 -0.12 -0.04 0.95 0.86 2znbB1 THR 93 H 0.08 0.57 0.45 -0.55 8.28 8.82 2znbB1 THR 93 HA 0.06 0.25 0.97 -0.75 4.39 4.91 2znbB1 THR 93 HB 0.07 -0.04 0.16 -0.04 4.32 4.47 2znbB1 THR 93 HG23 0.04 0.05 -0.10 -0.04 1.22 1.17 2znbB1 THR 94 H 0.12 0.31 0.36 -0.55 8.28 8.52 2znbB1 THR 94 HA 0.23 0.43 0.97 -0.75 4.39 5.27 2znbB1 THR 94 HB 0.10 -0.08 0.09 -0.04 4.32 4.38 2znbB1 THR 94 HG23 0.12 -0.01 -0.12 -0.04 1.22 1.17 2znbB1 PHE 95 H 0.29 0.43 0.29 -0.55 8.34 8.80 2znbB1 PHE 95 HA 0.12 0.40 0.91 -0.75 4.62 5.29 2znbB1 PHE 95 HB2 0.09 0.03 -0.23 -0.04 3.15 3.00 2znbB1 PHE 95 HB3 0.09 -0.03 -0.15 -0.04 3.06 2.92 2znbB1 PHE 95 HD2 0.09 0.03 -0.18 -0.04 7.28 7.18 2znbB1 PHE 95 HE2 0.10 -0.06 -0.28 -0.04 7.38 7.09 2znbB1 PHE 95 HZ 0.08 0.20 -0.05 -0.04 7.32 7.51 2znbB1 ILE 96 H -0.43 0.56 0.33 -0.55 8.25 8.17 2znbB1 ILE 96 HA -0.24 0.37 1.00 -0.75 4.18 4.55 2znbB1 ILE 96 HB -0.04 -0.08 0.06 -0.04 1.89 1.79 2znbB1 ILE 96 HG12 0.11 0.09 -0.01 -0.04 1.49 1.64 2znbB1 ILE 96 HG13 0.03 -0.12 -0.45 -0.04 1.21 0.63 2znbB1 ILE 96 HG23 0.05 0.05 -0.10 -0.04 0.93 0.89 2znbB1 ILE 96 HD13 -0.03 -0.02 -0.12 -0.04 0.88 0.67 2znbB1 PRO 97 HA -0.11 0.04 0.78 -0.51 4.44 4.64 2znbB1 PRO 97 HB2 0.08 0.07 -0.06 -0.04 2.28 2.33 2znbB1 PRO 97 HB3 0.29 0.06 -0.08 -0.04 2.02 2.25 2znbB1 PRO 97 HG2 0.04 -0.05 -0.05 -0.04 2.03 1.93 2znbB1 PRO 97 HG3 0.15 0.06 -0.10 -0.04 2.03 2.10 2znbB1 PRO 97 HD2 -0.06 0.35 0.30 -0.04 3.68 4.22 2znbB1 PRO 97 HD3 -0.36 0.11 -0.04 -0.04 3.65 3.31 2znbB1 ASN 98 H -0.05 0.13 0.18 -0.55 8.53 8.24 2znbB1 ASN 98 HA -0.01 0.17 0.40 -0.75 4.76 4.57 2znbB1 ASN 98 HB2 -0.22 0.08 0.05 -0.04 2.88 2.75 2znbB1 ASN 98 HB3 -0.13 -0.07 0.07 -0.04 2.79 2.62 2znbB1 ASN 98 HD21 -0.16 0.51 -0.04 -0.04 7.03 7.29 2znbB1 ASN 98 HD22 -0.34 -0.03 -0.20 -0.04 7.74 7.12 2znbB1 HIS 99 H -0.20 0.25 -0.01 -0.55 8.41 7.91 2znbB1 HIS 99 HA 0.06 0.17 0.25 -0.75 4.63 4.36 2znbB1 HIS 99 HB2 -0.07 -0.19 0.04 -0.04 3.26 3.00 2znbB1 HIS 99 HB3 -0.02 0.24 -0.08 -0.04 3.20 3.29 2znbB1 HIS 99 HD2 -0.82 -0.08 -0.08 -0.04 6.97 5.95 2znbB1 HIS 99 HE1 -0.04 -0.03 -0.03 -0.04 7.75 7.61 2znbB1 TRP 100 H 0.19 0.08 0.04 -0.55 7.97 7.73 2znbB1 TRP 100 HA 0.01 0.24 0.52 -0.75 4.62 4.64 2znbB1 TRP 100 HB2 0.01 0.11 0.05 -0.04 3.23 3.36 2znbB1 TRP 100 HB3 -0.01 0.02 0.05 -0.04 3.23 3.24 2znbB1 TRP 100 HD1 -0.08 -0.10 0.01 -0.04 7.22 7.02 2znbB1 TRP 100 HE1 -0.23 -0.06 0.01 -0.04 10.20 9.88 2znbB1 TRP 100 HE3 0.07 0.05 -0.16 -0.04 7.59 7.51 2znbB1 TRP 100 HZ2 0.00 0.01 -0.05 -0.04 7.44 7.37 2znbB1 TRP 100 HZ3 0.14 0.05 -0.06 -0.04 7.13 7.22 2znbB1 TRP 100 HH2 0.16 0.04 -0.05 -0.04 7.19 7.30 2znbB1 HIS 101 H -0.47 -0.03 -0.24 -0.55 8.41 7.12 2znbB1 HIS 101 HA -0.54 0.19 0.48 -0.75 4.63 4.01 2znbB1 HIS 101 HB2 -0.06 -0.02 0.04 -0.04 3.26 3.18 2znbB1 HIS 101 HB3 -0.16 -0.01 0.11 -0.04 3.20 3.10 2znbB1 HIS 101 HD2 -1.78 0.10 -0.06 -0.04 6.97 5.18 2znbB1 HIS 101 HE1 -0.44 0.04 -0.04 -0.04 7.75 7.27 2znbB1 GLY 102 H 0.01 0.22 0.16 -0.55 8.43 8.27 2znbB1 GLY 102 HA2 0.07 0.09 0.51 -0.51 4.01 4.17 2znbB1 GLY 102 HA3 0.04 0.16 0.37 -0.51 4.01 4.07 2znbB1 ASP 103 H 0.04 0.04 -0.39 -0.55 8.40 7.55 2znbB1 ASP 103 HA 0.08 0.18 0.55 -0.75 4.63 4.69 2znbB1 ASP 103 HB2 0.12 0.12 0.16 -0.04 2.71 3.06 2znbB1 ASP 103 HB3 0.12 0.01 0.02 -0.04 2.70 2.81 2znbB1 CYS 104 H 0.02 0.12 -0.55 -0.55 8.50 7.55 2znbB1 CYS 104 HA 0.12 0.26 0.90 -0.75 4.58 5.11 2znbB1 CYS 104 HB2 -0.10 0.29 0.09 -0.04 2.97 3.21 2znbB1 CYS 104 HB3 -0.02 -0.27 0.21 -0.04 2.97 2.85 2znbB1 ILE 105 H 0.08 0.32 0.10 -0.55 8.25 8.20 2znbB1 ILE 105 HA 0.13 0.18 0.97 -0.75 4.18 4.71 2znbB1 ILE 105 HB 0.11 -0.05 0.11 -0.04 1.89 2.02 2znbB1 ILE 105 HG12 0.14 0.03 -0.11 -0.04 1.49 1.51 2znbB1 ILE 105 HG13 0.13 -0.00 -0.17 -0.04 1.21 1.12 2znbB1 ILE 105 HG23 0.30 0.02 -0.17 -0.04 0.93 1.03 2znbB1 ILE 105 HD13 0.18 0.04 -0.02 -0.04 0.88 1.03 2znbB1 GLY 106 H 0.06 0.33 -0.10 -0.55 8.43 8.18 2znbB1 GLY 106 HA2 0.05 -0.01 0.35 -0.51 4.01 3.88 2znbB1 GLY 106 HA3 0.04 0.29 0.30 -0.51 4.01 4.13 2znbB1 GLY 107 H -0.01 0.12 -0.61 -0.55 8.43 7.38 2znbB1 GLY 107 HA2 -0.00 0.06 0.57 -0.51 4.01 4.12 2znbB1 GLY 107 HA3 -0.03 0.04 0.00 -0.51 4.01 3.52 2znbB1 LEU 108 H -0.07 0.66 -0.24 -0.55 8.37 8.18 2znbB1 LEU 108 HA -0.29 0.04 0.34 -0.75 4.35 3.69 2znbB1 LEU 108 HB2 -0.16 -0.02 0.02 -0.04 1.64 1.45 2znbB1 LEU 108 HB3 -0.03 0.11 0.03 -0.04 1.64 1.71 2znbB1 LEU 108 HG -0.03 -0.00 -0.34 -0.04 1.64 1.22 2znbB1 LEU 108 HD13 -0.11 -0.02 -0.13 -0.04 0.93 0.62 2znbB1 LEU 108 HD23 0.11 0.03 -0.43 -0.04 0.89 0.55 2znbB1 GLY 109 H -0.01 0.21 -0.19 -0.55 8.43 7.90 2znbB1 GLY 109 HA2 -0.02 0.08 0.31 -0.51 4.01 3.87 2znbB1 GLY 109 HA3 0.01 0.07 0.26 -0.51 4.01 3.84 2znbB1 TYR 110 H 0.10 0.13 -0.36 -0.55 8.29 7.61 2znbB1 TYR 110 HA -0.04 0.06 0.37 -0.75 4.56 4.20 2znbB1 TYR 110 HB2 -0.04 -0.10 0.07 -0.04 3.06 2.94 2znbB1 TYR 110 HB3 -0.07 0.18 0.11 -0.04 2.98 3.17 2znbB1 TYR 110 HD2 -0.05 -0.01 -0.12 -0.04 7.15 6.93 2znbB1 TYR 110 HE2 -0.03 0.03 -0.11 -0.04 6.85 6.70 2znbB1 LEU 111 H -0.03 0.29 -0.13 -0.55 8.37 7.94 2znbB1 LEU 111 HA -0.31 0.06 0.33 -0.75 4.35 3.68 2znbB1 LEU 111 HB2 -0.19 0.08 0.06 -0.04 1.64 1.55 2znbB1 LEU 111 HB3 -0.10 0.00 -0.10 -0.04 1.64 1.41 2znbB1 LEU 111 HG -0.07 0.10 -0.06 -0.04 1.64 1.57 2znbB1 LEU 111 HD13 -0.53 -0.01 -0.18 -0.04 0.93 0.17 2znbB1 LEU 111 HD23 0.08 0.00 -0.13 -0.04 0.89 0.80 2znbB1 GLN 112 H -0.11 0.64 -0.20 -0.55 8.47 8.26 2znbB1 GLN 112 HA -0.08 0.06 0.30 -0.75 4.36 3.89 2znbB1 GLN 112 HB2 -0.06 0.05 0.10 -0.04 2.15 2.20 2znbB1 GLN 112 HB3 -0.05 -0.01 0.01 -0.04 2.02 1.93 2znbB1 GLN 112 HG2 -0.05 0.02 -0.03 -0.04 2.40 2.30 2znbB1 GLN 112 HG3 -0.06 0.02 -0.09 -0.04 2.39 2.22 2znbB1 GLN 112 HE21 -0.01 0.19 -0.12 -0.04 6.97 6.99 2znbB1 GLN 112 HE22 -0.02 -0.12 -0.11 -0.04 7.69 7.39 2znbB1 LYS 113 H -0.13 0.56 -0.10 -0.55 8.42 8.19 2znbB1 LYS 113 HA -0.08 -0.01 0.41 -0.75 4.32 3.89 2znbB1 LYS 113 HB2 -0.06 -0.02 0.13 -0.04 1.87 1.88 2znbB1 LYS 113 HB3 -0.18 0.09 0.21 -0.04 1.79 1.87 2znbB1 LYS 113 HG2 -0.07 0.02 -0.06 -0.04 1.46 1.31 2znbB1 LYS 113 HG3 -0.04 -0.03 0.07 -0.04 1.46 1.42 2znbB1 LYS 113 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.61 2znbB1 LYS 113 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 2znbB1 LYS 113 HE2 0.05 -0.06 -0.02 -0.04 2.99 2.91 2znbB1 LYS 113 HE3 0.01 0.03 -0.04 -0.04 2.99 2.96 2znbB1 LYS 114 H -0.33 0.55 -0.30 -0.55 8.42 7.78 2znbB1 LYS 114 HA -0.18 -0.02 0.29 -0.75 4.32 3.65 2znbB1 LYS 114 HB2 -0.29 0.09 0.06 -0.04 1.87 1.69 2znbB1 LYS 114 HB3 -0.18 -0.03 0.05 -0.04 1.79 1.58 2znbB1 LYS 114 HG2 -1.32 0.22 -0.08 -0.04 1.46 0.24 2znbB1 LYS 114 HG3 -0.63 -0.10 -0.08 -0.04 1.46 0.61 2znbB1 LYS 114 HD2 -0.26 0.04 -0.10 -0.04 1.69 1.32 2znbB1 LYS 114 HD3 -0.39 -0.10 -0.06 -0.04 1.68 1.09 2znbB1 LYS 114 HE2 0.03 -0.05 -0.03 -0.04 2.99 2.89 2znbB1 LYS 114 HE3 -0.08 0.07 0.02 -0.04 2.99 2.95 2znbB1 GLY 115 H -0.11 0.38 -0.53 -0.55 8.43 7.63 2znbB1 GLY 115 HA2 -0.04 0.00 0.29 -0.51 4.01 3.75 2znbB1 GLY 115 HA3 -0.04 0.00 0.37 -0.51 4.01 3.84 2znbB1 VAL 116 H -0.07 0.36 -0.13 -0.55 8.24 7.86 2znbB1 VAL 116 HA 0.03 0.18 0.65 -0.75 4.13 4.24 2znbB1 VAL 116 HB -0.02 -0.15 -0.18 -0.04 2.12 1.73 2znbB1 VAL 116 HG13 0.12 -0.04 -0.57 -0.04 0.97 0.44 2znbB1 VAL 116 HG23 -0.03 0.07 -0.18 -0.04 0.95 0.76 2znbB1 GLN 117 H 0.10 0.55 0.16 -0.55 8.47 8.73 2znbB1 GLN 117 HA 0.01 0.10 0.90 -0.75 4.36 4.62 2znbB1 GLN 117 HB2 0.20 0.16 0.25 -0.04 2.15 2.73 2znbB1 GLN 117 HB3 0.17 -0.07 -0.03 -0.04 2.02 2.05 2znbB1 GLN 117 HG2 0.07 0.02 -0.07 -0.04 2.40 2.38 2znbB1 GLN 117 HG3 0.09 0.10 0.03 -0.04 2.39 2.57 2znbB1 GLN 117 HE21 0.13 -0.05 0.01 -0.04 6.97 7.01 2znbB1 GLN 117 HE22 0.12 0.06 0.04 -0.04 7.69 7.86 2znbB1 SER 118 H -0.16 0.15 0.22 -0.55 8.46 8.12 2znbB1 SER 118 HA 0.21 0.31 1.02 -0.75 4.49 5.28 2znbB1 SER 118 HB2 0.22 0.03 -0.05 -0.04 3.95 4.11 2znbB1 SER 118 HB3 0.30 0.06 -0.16 -0.04 3.93 4.08 2znbB1 TYR 119 H 0.24 0.60 0.39 -0.55 8.29 8.97 2znbB1 TYR 119 HA 0.21 0.22 0.88 -0.75 4.56 5.12 2znbB1 TYR 119 HB2 0.09 0.00 0.05 -0.04 3.06 3.16 2znbB1 TYR 119 HB3 0.16 -0.01 -0.12 -0.04 2.98 2.96 2znbB1 TYR 119 HD2 0.11 0.02 -0.11 -0.04 7.15 7.13 2znbB1 TYR 119 HE2 -0.06 0.04 -0.11 -0.04 6.85 6.68 2znbB1 ALA 120 H 0.27 0.66 0.30 -0.55 8.40 9.08 2znbB1 ALA 120 HA 0.21 0.14 0.79 -0.75 4.34 4.73 2znbB1 ALA 120 HB3 0.07 0.01 -0.24 -0.04 1.41 1.20 2znbB1 ASN 121 H -0.08 0.21 0.09 -0.55 8.53 8.21 2znbB1 ASN 121 HA -1.10 0.22 0.50 -0.75 4.76 3.63 2znbB1 ASN 121 HB2 -0.18 0.15 0.11 -0.04 2.88 2.93 2znbB1 ASN 121 HB3 -0.11 -0.14 0.15 -0.04 2.79 2.65 2znbB1 ASN 121 HD21 -0.36 -0.00 0.04 -0.04 7.03 6.67 2znbB1 ASN 121 HD22 0.01 0.48 0.08 -0.04 7.74 8.27 2znbB1 GLN 122 H -0.35 0.79 0.37 -0.55 8.47 8.73 2znbB1 GLN 122 HA -0.09 0.11 0.47 -0.75 4.36 4.09 2znbB1 GLN 122 HB2 -0.10 0.04 -0.06 -0.04 2.15 1.99 2znbB1 GLN 122 HB3 -0.13 -0.04 0.04 -0.04 2.02 1.85 2znbB1 GLN 122 HG2 -0.05 0.04 -0.08 -0.04 2.40 2.28 2znbB1 GLN 122 HG3 -0.07 -0.03 -0.14 -0.04 2.39 2.12 2znbB1 GLN 122 HE21 -0.03 0.09 -0.05 -0.04 6.97 6.94 2znbB1 GLN 122 HE22 -0.05 -0.06 -0.05 -0.04 7.69 7.49 2znbB1 MET 123 H -0.20 0.14 -0.13 -0.55 8.47 7.73 2znbB1 MET 123 HA -0.12 0.08 0.27 -0.75 4.52 3.99 2znbB1 MET 123 HB2 -0.12 -0.01 -0.01 -0.04 2.15 1.97 2znbB1 MET 123 HB3 -0.13 0.02 -0.03 -0.04 2.03 1.85 2znbB1 MET 123 HG2 -0.22 0.04 0.02 -0.04 2.63 2.43 2znbB1 MET 123 HG3 -0.27 -0.08 0.10 -0.04 2.56 2.26 2znbB1 MET 123 HE3 -0.63 -0.01 0.04 -0.04 2.10 1.46 2znbB1 THR 124 H -0.07 0.12 -0.38 -0.55 8.28 7.40 2znbB1 THR 124 HA 0.09 -0.09 0.29 -0.75 4.39 3.93 2znbB1 THR 124 HB 0.02 0.22 -0.05 -0.04 4.32 4.47 2znbB1 THR 124 HG23 0.14 -0.01 -0.33 -0.04 1.22 0.98 2znbB1 ILE 125 H -0.04 0.46 -0.22 -0.55 8.25 7.90 2znbB1 ILE 125 HA 0.00 0.04 0.45 -0.75 4.18 3.92 2znbB1 ILE 125 HB -0.04 0.03 0.11 -0.04 1.89 1.95 2znbB1 ILE 125 HG12 0.00 0.14 -0.12 -0.04 1.49 1.47 2znbB1 ILE 125 HG13 0.00 -0.08 -0.18 -0.04 1.21 0.91 2znbB1 ILE 125 HG23 -0.02 -0.00 -0.15 -0.04 0.93 0.72 2znbB1 ILE 125 HD13 -0.00 -0.01 -0.44 -0.04 0.88 0.39 2znbB1 ASP 126 H -0.07 0.60 -0.11 -0.55 8.40 8.27 2znbB1 ASP 126 HA -0.07 0.05 0.27 -0.75 4.63 4.13 2znbB1 ASP 126 HB2 -0.10 0.05 0.11 -0.04 2.71 2.73 2znbB1 ASP 126 HB3 -0.09 -0.02 -0.03 -0.04 2.70 2.52 2znbB1 LEU 127 H -0.14 0.50 -0.11 -0.55 8.37 8.08 2znbB1 LEU 127 HA -0.29 0.02 0.42 -0.75 4.35 3.75 2znbB1 LEU 127 HB2 -0.30 0.06 0.11 -0.04 1.64 1.48 2znbB1 LEU 127 HB3 -0.92 -0.04 -0.02 -0.04 1.64 0.62 2znbB1 LEU 127 HG -0.22 0.18 0.07 -0.04 1.64 1.62 2znbB1 LEU 127 HD13 -0.41 -0.05 -0.06 -0.04 0.93 0.37 2znbB1 LEU 127 HD23 -0.39 -0.00 -0.01 -0.04 0.89 0.45 2znbB1 ALA 128 H -0.05 0.60 -0.10 -0.55 8.40 8.30 2znbB1 ALA 128 HA 0.02 -0.03 0.36 -0.75 4.34 3.94 2znbB1 ALA 128 HB3 0.05 0.06 0.02 -0.04 1.41 1.50 2znbB1 LYS 129 H -0.05 0.55 -0.28 -0.55 8.42 8.08 2znbB1 LYS 129 HA -0.03 0.03 0.28 -0.75 4.32 3.85 2znbB1 LYS 129 HB2 -0.05 0.16 0.15 -0.04 1.87 2.08 2znbB1 LYS 129 HB3 -0.05 -0.04 -0.10 -0.04 1.79 1.56 2znbB1 LYS 129 HG2 -0.03 -0.04 -0.01 -0.04 1.46 1.35 2znbB1 LYS 129 HG3 -0.03 0.01 -0.01 -0.04 1.46 1.40 2znbB1 LYS 129 HD2 -0.04 0.00 -0.14 -0.04 1.69 1.47 2znbB1 LYS 129 HD3 -0.03 -0.04 -0.05 -0.04 1.68 1.51 2znbB1 LYS 129 HE2 -0.02 0.03 -0.07 -0.04 2.99 2.89 2znbB1 LYS 129 HE3 -0.03 -0.05 -0.06 -0.04 2.99 2.81 2znbB1 GLU 130 H -0.10 0.49 -0.02 -0.55 8.60 8.42 2znbB1 GLU 130 HA -0.07 -0.00 0.42 -0.75 4.29 3.89 2znbB1 GLU 130 HB2 -0.17 0.02 0.15 -0.04 2.09 2.05 2znbB1 GLU 130 HB3 -0.10 -0.05 0.07 -0.04 1.99 1.86 2znbB1 GLU 130 HG2 -0.08 -0.04 0.05 -0.04 2.34 2.22 2znbB1 GLU 130 HG3 -0.11 0.35 0.13 -0.04 2.34 2.67 2znbB1 LYS 131 H -0.12 0.54 -0.30 -0.55 8.42 7.99 2znbB1 LYS 131 HA -0.06 0.02 0.31 -0.75 4.32 3.84 2znbB1 LYS 131 HB2 -0.07 0.09 0.10 -0.04 1.87 1.95 2znbB1 LYS 131 HB3 -0.01 -0.09 0.08 -0.04 1.79 1.73 2znbB1 LYS 131 HG2 -0.19 -0.06 -0.02 -0.04 1.46 1.15 2znbB1 LYS 131 HG3 -0.27 0.02 0.04 -0.04 1.46 1.21 2znbB1 LYS 131 HD2 -0.54 0.02 -0.17 -0.04 1.69 0.96 2znbB1 LYS 131 HD3 -0.41 -0.07 -0.05 -0.04 1.68 1.12 2znbB1 LYS 131 HE2 -0.76 0.02 -0.00 -0.04 2.99 2.20 2znbB1 LYS 131 HE3 -2.36 -0.13 -0.06 -0.04 2.99 0.40 2znbB1 GLY 132 H -0.03 0.44 -0.36 -0.55 8.43 7.94 2znbB1 GLY 132 HA2 -0.01 0.01 0.31 -0.51 4.01 3.81 2znbB1 GLY 132 HA3 0.00 -0.02 0.51 -0.51 4.01 3.99 2znbB1 LEU 133 H 0.01 0.52 -0.09 -0.55 8.37 8.27 2znbB1 LEU 133 HA 0.05 0.10 0.62 -0.75 4.35 4.38 2znbB1 LEU 133 HB2 0.08 -0.03 0.09 -0.04 1.64 1.73 2znbB1 LEU 133 HB3 0.11 0.01 0.08 -0.04 1.64 1.80 2znbB1 LEU 133 HG 0.09 0.05 -0.18 -0.04 1.64 1.56 2znbB1 LEU 133 HD13 0.34 -0.02 -0.03 -0.04 0.93 1.18 2znbB1 LEU 133 HD23 0.13 -0.01 -0.02 -0.04 0.89 0.95 2znbB1 PRO 134 HA 0.01 0.06 0.45 -0.51 4.44 4.45 2znbB1 PRO 134 HB2 0.01 -0.00 -0.16 -0.04 2.28 2.09 2znbB1 PRO 134 HB3 0.01 -0.03 0.04 -0.04 2.02 1.99 2znbB1 PRO 134 HG2 0.06 0.02 0.06 -0.04 2.03 2.13 2znbB1 PRO 134 HG3 0.03 -0.02 0.05 -0.04 2.03 2.06 2znbB1 PRO 134 HD2 0.07 0.08 0.18 -0.04 3.68 3.97 2znbB1 PRO 134 HD3 0.04 0.12 0.11 -0.04 3.65 3.88 2znbB1 VAL 135 H 0.00 0.12 0.04 -0.55 8.24 7.86 2znbB1 VAL 135 HA 0.03 0.21 0.83 -0.75 4.13 4.45 2znbB1 VAL 135 HB -0.02 -0.03 0.01 -0.04 2.12 2.04 2znbB1 VAL 135 HG13 -0.01 0.06 -0.08 -0.04 0.97 0.90 2znbB1 VAL 135 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 2znbB1 PRO 136 HA 0.06 -0.01 0.27 -0.51 4.44 4.25 2znbB1 PRO 136 HB2 0.05 0.04 -0.24 -0.04 2.28 2.09 2znbB1 PRO 136 HB3 0.13 0.00 -0.19 -0.04 2.02 1.92 2znbB1 PRO 136 HG2 0.11 -0.04 -0.18 -0.04 2.03 1.88 2znbB1 PRO 136 HG3 0.18 0.02 -0.13 -0.04 2.03 2.06 2znbB1 PRO 136 HD2 0.04 0.04 0.04 -0.04 3.68 3.76 2znbB1 PRO 136 HD3 0.08 0.29 0.13 -0.04 3.65 4.11 2znbB1 GLU 137 H -0.10 0.00 0.09 -0.55 8.60 8.04 2znbB1 GLU 137 HA -0.18 0.12 0.54 -0.75 4.29 4.02 2znbB1 GLU 137 HB2 -0.21 0.04 0.14 -0.04 2.09 2.02 2znbB1 GLU 137 HB3 -0.39 -0.12 0.31 -0.04 1.99 1.75 2znbB1 GLU 137 HG2 -1.13 0.03 -0.19 -0.04 2.34 1.01 2znbB1 GLU 137 HG3 -0.32 -0.00 0.04 -0.04 2.34 2.02 2znbB1 HIS 138 H -0.33 0.61 0.24 -0.55 8.41 8.39 2znbB1 HIS 138 HA -0.03 0.22 1.05 -0.75 4.63 5.11 2znbB1 HIS 138 HB2 -0.15 -0.08 0.06 -0.04 3.26 3.05 2znbB1 HIS 138 HB3 0.02 -0.00 0.07 -0.04 3.20 3.24 2znbB1 HIS 138 HD2 -1.78 0.03 -0.13 -0.04 6.97 5.04 2znbB1 HIS 138 HE1 -0.06 0.01 -0.03 -0.04 7.75 7.63 2znbB1 GLY 139 H 0.13 0.19 0.18 -0.55 8.43 8.38 2znbB1 GLY 139 HA2 0.10 0.44 1.00 -0.51 4.01 5.03 2znbB1 GLY 139 HA3 0.03 -0.03 0.20 -0.51 4.01 3.70 2znbB1 PHE 140 H -0.22 0.37 0.31 -0.55 8.34 8.25 2znbB1 PHE 140 HA 0.04 0.21 0.87 -0.75 4.62 4.99 2znbB1 PHE 140 HB2 0.04 0.12 -0.03 -0.04 3.15 3.25 2znbB1 PHE 140 HB3 0.08 0.04 -0.34 -0.04 3.06 2.80 2znbB1 PHE 140 HD2 0.08 0.08 -0.63 -0.04 7.28 6.78 2znbB1 PHE 140 HE2 0.08 0.07 -0.44 -0.04 7.38 7.05 2znbB1 PHE 140 HZ 0.08 0.02 -0.28 -0.04 7.32 7.10 2znbB1 THR 141 H 0.22 0.36 0.21 -0.55 8.28 8.52 2znbB1 THR 141 HA -0.10 0.08 0.89 -0.75 4.39 4.51 2znbB1 THR 141 HB -0.00 0.03 0.11 -0.04 4.32 4.42 2znbB1 THR 141 HG23 -0.06 -0.01 -0.13 -0.04 1.22 0.99 2znbB1 ASP 142 H 0.17 0.13 0.10 -0.55 8.40 8.26 2znbB1 ASP 142 HA 0.26 0.09 0.46 -0.75 4.63 4.69 2znbB1 ASP 142 HB2 0.13 -0.06 -0.17 -0.04 2.71 2.57 2znbB1 ASP 142 HB3 0.16 0.21 0.25 -0.04 2.70 3.27 2znbB1 SER 143 H 0.18 0.44 0.38 -0.55 8.46 8.92 2znbB1 SER 143 HA -0.06 0.11 0.66 -0.75 4.49 4.44 2znbB1 SER 143 HB2 -0.43 0.19 0.16 -0.04 3.95 3.83 2znbB1 SER 143 HB3 0.15 -0.02 -0.22 -0.04 3.93 3.80 2znbB1 LEU 144 H -0.62 0.61 0.22 -0.55 8.37 8.03 2znbB1 LEU 144 HA -0.26 0.12 0.66 -0.75 4.35 4.13 2znbB1 LEU 144 HB2 -0.55 0.05 -0.18 -0.04 1.64 0.92 2znbB1 LEU 144 HB3 -1.24 -0.06 -0.06 -0.04 1.64 0.24 2znbB1 LEU 144 HG -0.30 0.02 -0.42 -0.04 1.64 0.91 2znbB1 LEU 144 HD13 -0.06 0.00 -0.02 -0.04 0.93 0.81 2znbB1 LEU 144 HD23 -0.03 -0.01 -0.21 -0.04 0.89 0.60 2znbB1 THR 145 H -0.18 0.22 0.10 -0.55 8.28 7.88 2znbB1 THR 145 HA -0.20 0.26 1.01 -0.75 4.39 4.71 2znbB1 THR 145 HB -0.09 -0.00 0.09 -0.04 4.32 4.27 2znbB1 THR 145 HG23 -0.07 -0.01 -0.23 -0.04 1.22 0.87 2znbB1 VAL 146 H -0.19 0.68 0.23 -0.55 8.24 8.41 2znbB1 VAL 146 HA -0.28 0.14 0.82 -0.75 4.13 4.05 2znbB1 VAL 146 HB -0.23 0.02 0.10 -0.04 2.12 1.96 2znbB1 VAL 146 HG13 -0.39 0.00 -0.26 -0.04 0.97 0.29 2znbB1 VAL 146 HG23 -0.52 0.01 -0.17 -0.04 0.95 0.23 2znbB1 SER 147 H -0.14 0.20 0.05 -0.55 8.46 8.03 2znbB1 SER 147 HA -0.08 0.23 0.51 -0.75 4.49 4.40 2znbB1 SER 147 HB2 -0.07 0.05 -0.08 -0.04 3.95 3.82 2znbB1 SER 147 HB3 -0.06 0.01 0.11 -0.04 3.93 3.96 2znbB1 LEU 148 H -0.06 0.87 0.13 -0.55 8.37 8.77 2znbB1 LEU 148 HA -0.02 0.12 0.66 -0.75 4.35 4.36 2znbB1 LEU 148 HB2 -0.03 -0.02 -0.04 -0.04 1.64 1.51 2znbB1 LEU 148 HB3 -0.03 0.01 0.14 -0.04 1.64 1.72 2znbB1 LEU 148 HG 0.00 0.10 -0.21 -0.04 1.64 1.49 2znbB1 LEU 148 HD13 0.03 -0.02 -0.31 -0.04 0.93 0.58 2znbB1 LEU 148 HD23 0.00 0.03 -0.23 -0.04 0.89 0.64 2znbB1 ASP 149 H -0.01 0.31 -0.15 -0.55 8.40 8.00 2znbB1 ASP 149 HA -0.01 0.02 0.23 -0.75 4.63 4.12 2znbB1 ASP 149 HB2 0.00 0.02 -0.11 -0.04 2.71 2.59 2znbB1 ASP 149 HB3 -0.01 0.09 -0.05 -0.04 2.70 2.68 2znbB1 GLY 150 H -0.03 -0.01 -0.52 -0.55 8.43 7.33 2znbB1 GLY 150 HA2 -0.02 -0.03 0.24 -0.51 4.01 3.68 2znbB1 GLY 150 HA3 -0.02 0.30 0.96 -0.51 4.01 4.74 2znbB1 MET 151 H -0.04 0.54 -0.35 -0.55 8.47 8.08 2znbB1 MET 151 HA -0.05 0.15 0.69 -0.75 4.52 4.56 2znbB1 MET 151 HB2 -0.04 0.03 0.01 -0.04 2.15 2.11 2znbB1 MET 151 HB3 -0.04 -0.01 0.08 -0.04 2.03 2.02 2znbB1 MET 151 HG2 -0.07 0.05 -0.16 -0.04 2.63 2.41 2znbB1 MET 151 HG3 -0.07 -0.04 0.03 -0.04 2.56 2.44 2znbB1 MET 151 HE3 -0.08 -0.04 -0.06 -0.04 2.10 1.89 2znbB1 PRO 152 HA -0.07 0.16 0.54 -0.51 4.44 4.55 2znbB1 PRO 152 HB2 -0.05 0.00 -0.10 -0.04 2.28 2.09 2znbB1 PRO 152 HB3 -0.04 0.03 -0.01 -0.04 2.02 1.96 2znbB1 PRO 152 HG2 -0.08 -0.09 0.17 -0.04 2.03 1.98 2znbB1 PRO 152 HG3 -0.04 0.06 0.07 -0.04 2.03 2.09 2znbB1 PRO 152 HD2 -0.06 0.06 0.29 -0.04 3.68 3.93 2znbB1 PRO 152 HD3 -0.04 0.27 0.12 -0.04 3.65 3.96 2znbB1 LEU 153 H -0.10 0.60 0.27 -0.55 8.37 8.58 2znbB1 LEU 153 HA -0.07 0.14 0.77 -0.75 4.35 4.43 2znbB1 LEU 153 HB2 -0.11 -0.12 0.21 -0.04 1.64 1.59 2znbB1 LEU 153 HB3 -0.05 -0.02 -0.01 -0.04 1.64 1.52 2znbB1 LEU 153 HG -0.08 0.19 -0.06 -0.04 1.64 1.65 2znbB1 LEU 153 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.68 2znbB1 LEU 153 HD23 -0.05 0.02 -0.26 -0.04 0.89 0.56 2znbB1 GLN 154 H -0.01 0.59 0.18 -0.55 8.47 8.69 2znbB1 GLN 154 HA -0.16 0.16 1.05 -0.75 4.36 4.65 2znbB1 GLN 154 HB2 0.38 -0.05 0.20 -0.04 2.15 2.64 2znbB1 GLN 154 HB3 -0.07 0.03 -0.01 -0.04 2.02 1.93 2znbB1 GLN 154 HG2 0.01 -0.08 -0.15 -0.04 2.40 2.14 2znbB1 GLN 154 HG3 0.06 0.12 0.03 -0.04 2.39 2.56 2znbB1 GLN 154 HE21 0.19 0.02 -0.03 -0.04 6.97 7.10 2znbB1 GLN 154 HE22 0.07 -0.03 -0.06 -0.04 7.69 7.63 2znbB1 CYS 155 H -0.32 0.63 0.42 -0.55 8.50 8.68 2znbB1 CYS 155 HA 0.02 0.25 0.78 -0.75 4.58 4.87 2znbB1 CYS 155 HB2 -0.59 -0.09 0.05 -0.04 2.97 2.30 2znbB1 CYS 155 HB3 0.10 0.01 0.04 -0.04 2.97 3.08 2znbB1 TYR 156 H 0.26 0.47 0.38 -0.55 8.29 8.85 2znbB1 TYR 156 HA 0.19 0.22 1.02 -0.75 4.56 5.24 2znbB1 TYR 156 HB2 0.18 -0.08 -0.03 -0.04 3.06 3.08 2znbB1 TYR 156 HB3 0.12 0.07 -0.20 -0.04 2.98 2.92 2znbB1 TYR 156 HD2 0.19 -0.00 -0.14 -0.04 7.15 7.16 2znbB1 TYR 156 HE2 0.26 -0.02 -0.09 -0.04 6.85 6.95 2znbB1 TYR 157 H 0.42 0.74 0.31 -0.55 8.29 9.21 2znbB1 TYR 157 HA 0.14 0.20 0.87 -0.75 4.56 5.02 2znbB1 TYR 157 HB2 0.07 -0.04 0.05 -0.04 3.06 3.10 2znbB1 TYR 157 HB3 0.13 -0.07 0.25 -0.04 2.98 3.25 2znbB1 TYR 157 HD2 0.04 0.06 -0.08 -0.04 7.15 7.13 2znbB1 TYR 157 HE2 -0.00 0.08 -0.09 -0.04 6.85 6.80 2znbB1 LEU 158 H -0.36 0.28 0.16 -0.55 8.37 7.91 2znbB1 LEU 158 HA -0.17 0.21 0.95 -0.75 4.35 4.57 2znbB1 LEU 158 HB2 -0.10 0.03 -0.02 -0.04 1.64 1.51 2znbB1 LEU 158 HB3 -0.11 -0.00 0.10 -0.04 1.64 1.59 2znbB1 LEU 158 HG 0.07 -0.09 -0.46 -0.04 1.64 1.12 2znbB1 LEU 158 HD13 -0.01 0.01 -0.17 -0.04 0.93 0.72 2znbB1 LEU 158 HD23 -0.13 0.02 -0.10 -0.04 0.89 0.65 2znbB1 GLY 159 H -1.64 0.11 0.01 -0.55 8.43 6.37 2znbB1 GLY 159 HA2 -0.16 -0.03 0.31 -0.51 4.01 3.62 2znbB1 GLY 159 HA3 -0.16 0.23 0.82 -0.51 4.01 4.38 2znbB1 GLY 160 H 0.02 0.07 0.13 -0.55 8.43 8.11 2znbB1 GLY 160 HA2 -0.00 0.22 0.69 -0.51 4.01 4.41 2znbB1 GLY 160 HA3 0.00 -0.03 0.32 -0.51 4.01 3.79 2znbB1 GLY 161 H -0.31 0.27 -0.05 -0.55 8.43 7.80 2znbB1 GLY 161 HA2 -0.67 0.16 0.41 -0.51 4.01 3.40 2znbB1 GLY 161 HA3 -1.10 0.08 0.40 -0.51 4.01 2.88 2znbB1 HIS 162 H -0.98 0.17 0.11 -0.55 8.41 7.17 2znbB1 HIS 162 HA -1.21 0.15 0.40 -0.75 4.63 3.21 2znbB1 HIS 162 HB2 -0.48 0.31 -0.05 -0.04 3.26 3.00 2znbB1 HIS 162 HB3 -0.53 -0.16 -0.09 -0.04 3.20 2.38 2znbB1 HIS 162 HD2 -0.01 0.16 0.05 -0.04 6.97 7.13 2znbB1 HIS 162 HE1 0.22 -0.10 -0.06 -0.04 7.75 7.76 2znbB1 ALA 163 H -0.43 0.12 -0.02 -0.55 8.40 7.52 2znbB1 ALA 163 HA -0.35 0.41 0.47 -0.75 4.34 4.12 2znbB1 ALA 163 HB3 -0.56 -0.01 -0.06 -0.04 1.41 0.75 2znbB1 THR 164 H 0.01 0.25 0.15 -0.55 8.28 8.14 2znbB1 THR 164 HA -0.00 0.06 0.39 -0.75 4.39 4.08 2znbB1 THR 164 HB 0.01 0.15 0.14 -0.04 4.32 4.58 2znbB1 THR 164 HG23 0.04 -0.01 -0.02 -0.04 1.22 1.18 2znbB1 ASP 165 H 0.10 -0.01 -0.20 -0.55 8.40 7.74 2znbB1 ASP 165 HA 0.01 0.22 0.62 -0.75 4.63 4.72 2znbB1 ASP 165 HB2 0.04 -0.08 0.04 -0.04 2.71 2.67 2znbB1 ASP 165 HB3 0.04 0.03 -0.17 -0.04 2.70 2.56 2znbB1 ASN 166 H 0.05 0.23 -0.36 -0.55 8.53 7.90 2znbB1 ASN 166 HA 0.12 0.29 0.53 -0.75 4.76 4.95 2znbB1 ASN 166 HB2 -0.03 0.14 0.09 -0.04 2.88 3.03 2znbB1 ASN 166 HB3 -0.17 -0.22 0.06 -0.04 2.79 2.41 2znbB1 ASN 166 HD21 -0.16 0.01 0.01 -0.04 7.03 6.85 2znbB1 ASN 166 HD22 0.00 0.03 0.23 -0.04 7.74 7.96 2znbB1 ILE 167 H 0.10 0.32 0.35 -0.55 8.25 8.47 2znbB1 ILE 167 HA 0.14 0.16 1.07 -0.75 4.18 4.79 2znbB1 ILE 167 HB 0.25 0.04 0.18 -0.04 1.89 2.32 2znbB1 ILE 167 HG12 0.11 0.11 0.16 -0.04 1.49 1.83 2znbB1 ILE 167 HG13 0.08 -0.03 -0.35 -0.04 1.21 0.87 2znbB1 ILE 167 HG23 0.27 -0.01 -0.11 -0.04 0.93 1.03 2znbB1 ILE 167 HD13 0.18 -0.02 -0.10 -0.04 0.88 0.90 2znbB1 VAL 168 H 0.19 0.40 0.41 -0.55 8.24 8.69 2znbB1 VAL 168 HA -0.01 0.26 0.75 -0.75 4.13 4.37 2znbB1 VAL 168 HB 0.01 -0.00 0.03 -0.04 2.12 2.11 2znbB1 VAL 168 HG13 0.06 0.02 -0.17 -0.04 0.97 0.83 2znbB1 VAL 168 HG23 0.25 0.00 -0.08 -0.04 0.95 1.08 2znbB1 VAL 169 H 0.09 0.54 0.18 -0.55 8.24 8.50 2znbB1 VAL 169 HA 0.14 0.24 0.54 -0.75 4.13 4.29 2znbB1 VAL 169 HB 0.18 -0.06 0.10 -0.04 2.12 2.30 2znbB1 VAL 169 HG13 0.04 -0.00 -0.25 -0.04 0.97 0.72 2znbB1 VAL 169 HG23 0.09 -0.00 -0.19 -0.04 0.95 0.81 2znbB1 TRP 170 H 0.31 0.74 0.17 -0.55 7.97 8.65 2znbB1 TRP 170 HA -0.21 0.14 0.92 -0.75 4.62 4.72 2znbB1 TRP 170 HB2 -0.62 -0.00 -0.00 -0.04 3.23 2.57 2znbB1 TRP 170 HB3 0.23 0.09 0.17 -0.04 3.23 3.67 2znbB1 TRP 170 HD1 0.34 -0.02 -0.06 -0.04 7.22 7.44 2znbB1 TRP 170 HE1 0.19 0.02 -0.05 -0.04 10.20 10.33 2znbB1 TRP 170 HE3 -0.36 0.01 -0.10 -0.04 7.59 7.10 2znbB1 TRP 170 HZ2 0.12 0.04 -0.08 -0.04 7.44 7.48 2znbB1 TRP 170 HZ3 -0.05 -0.04 -0.47 -0.04 7.13 6.54 2znbB1 TRP 170 HH2 0.06 0.08 -0.35 -0.04 7.19 6.94 2znbB1 LEU 171 H -0.51 0.73 0.21 -0.55 8.37 8.25 2znbB1 LEU 171 HA -0.32 0.27 0.88 -0.75 4.35 4.42 2znbB1 LEU 171 HB2 -0.32 -0.09 0.25 -0.04 1.64 1.43 2znbB1 LEU 171 HB3 -0.23 0.00 0.10 -0.04 1.64 1.47 2znbB1 LEU 171 HG -0.09 0.05 -0.20 -0.04 1.64 1.36 2znbB1 LEU 171 HD13 -0.08 -0.01 -0.09 -0.04 0.93 0.71 2znbB1 LEU 171 HD23 -0.07 0.02 -0.15 -0.04 0.89 0.65 2znbB1 PRO 172 HA -0.81 0.07 0.45 -0.51 4.44 3.63 2znbB1 PRO 172 HB2 0.01 0.07 0.03 -0.04 2.28 2.35 2znbB1 PRO 172 HB3 0.10 0.04 0.05 -0.04 2.02 2.17 2znbB1 PRO 172 HG2 -0.12 0.02 0.10 -0.04 2.03 1.99 2znbB1 PRO 172 HG3 -0.00 0.04 0.03 -0.04 2.03 2.06 2znbB1 PRO 172 HD2 -0.25 0.30 0.25 -0.04 3.68 3.94 2znbB1 PRO 172 HD3 -0.30 0.23 -0.01 -0.04 3.65 3.52 2znbB1 THR 173 H -0.22 0.17 -0.13 -0.55 8.28 7.54 2znbB1 THR 173 HA -0.09 0.14 0.38 -0.75 4.39 4.06 2znbB1 THR 173 HB -0.07 0.03 0.15 -0.04 4.32 4.38 2znbB1 THR 173 HG23 -0.07 0.01 0.07 -0.04 1.22 1.18 2znbB1 GLU 174 H -0.33 0.19 -0.52 -0.55 8.60 7.40 2znbB1 GLU 174 HA -0.11 0.24 0.91 -0.75 4.29 4.57 2znbB1 GLU 174 HB2 -0.22 -0.01 -0.02 -0.04 2.09 1.80 2znbB1 GLU 174 HB3 -0.11 -0.01 -0.01 -0.04 1.99 1.82 2znbB1 GLU 174 HG2 -0.16 -0.10 -0.16 -0.04 2.34 1.88 2znbB1 GLU 174 HG3 -0.12 0.00 -0.09 -0.04 2.34 2.10 2znbB1 ASN 175 H -0.54 0.36 0.14 -0.55 8.53 7.95 2znbB1 ASN 175 HA -0.44 -0.01 0.26 -0.75 4.76 3.83 2znbB1 ASN 175 HB2 -0.03 0.19 -0.07 -0.04 2.88 2.93 2znbB1 ASN 175 HB3 0.13 0.07 0.28 -0.04 2.79 3.22 2znbB1 ASN 175 HD21 0.04 -0.03 -0.06 -0.04 7.03 6.93 2znbB1 ASN 175 HD22 -0.01 0.02 -0.19 -0.04 7.74 7.51 2znbB1 ILE 176 H -0.49 0.23 0.02 -0.55 8.25 7.45 2znbB1 ILE 176 HA 0.13 0.29 0.97 -0.75 4.18 4.82 2znbB1 ILE 176 HB -0.10 -0.09 0.02 -0.04 1.89 1.68 2znbB1 ILE 176 HG12 0.17 -0.01 0.06 -0.04 1.49 1.67 2znbB1 ILE 176 HG13 0.00 0.17 -0.48 -0.04 1.21 0.86 2znbB1 ILE 176 HG23 0.01 -0.00 -0.20 -0.04 0.93 0.69 2znbB1 ILE 176 HD13 -0.00 0.01 -0.12 -0.04 0.88 0.72 2znbB1 LEU 177 H 0.25 0.59 0.30 -0.55 8.37 8.97 2znbB1 LEU 177 HA 0.28 0.22 0.99 -0.75 4.35 5.09 2znbB1 LEU 177 HB2 0.12 0.02 0.01 -0.04 1.64 1.74 2znbB1 LEU 177 HB3 0.15 -0.01 0.17 -0.04 1.64 1.91 2znbB1 LEU 177 HG 0.03 -0.08 -0.40 -0.04 1.64 1.14 2znbB1 LEU 177 HD13 -0.57 0.04 -0.16 -0.04 0.93 0.20 2znbB1 LEU 177 HD23 0.00 0.01 -0.11 -0.04 0.89 0.75 2znbB1 PHE 178 H 0.21 0.80 0.24 -0.55 8.34 9.03 2znbB1 PHE 178 HA 0.02 0.11 0.90 -0.75 4.62 4.89 2znbB1 PHE 178 HB2 -0.00 0.03 0.04 -0.04 3.15 3.17 2znbB1 PHE 178 HB3 0.01 -0.04 0.22 -0.04 3.06 3.22 2znbB1 PHE 178 HD2 -0.01 0.06 -0.01 -0.04 7.28 7.29 2znbB1 PHE 178 HE2 -0.05 0.13 -0.25 -0.04 7.38 7.17 2znbB1 PHE 178 HZ -0.09 0.24 0.04 -0.04 7.32 7.47 2znbB1 GLY 179 H 0.15 0.55 0.09 -0.55 8.43 8.67 2znbB1 GLY 179 HA2 -0.05 0.09 0.62 -0.51 4.01 4.16 2znbB1 GLY 179 HA3 0.01 0.02 0.22 -0.51 4.01 3.75 2znbB1 GLY 180 H -0.54 0.20 -0.16 -0.55 8.43 7.38 2znbB1 GLY 180 HA2 -0.54 0.16 0.17 -0.51 4.01 3.30 2znbB1 GLY 180 HA3 -0.42 0.07 0.39 -0.51 4.01 3.55 2znbB1 CYS 181 H -0.04 0.15 0.16 -0.55 8.50 8.21 2znbB1 CYS 181 HA -0.08 0.08 0.36 -0.75 4.58 4.19 2znbB1 CYS 181 HB2 -0.53 -0.05 0.02 -0.04 2.97 2.38 2znbB1 CYS 181 HB3 -0.64 0.08 0.14 -0.04 2.97 2.50 2znbB1 MET 182 H -0.05 0.24 -0.57 -0.55 8.47 7.55 2znbB1 MET 182 HA 0.09 -0.07 0.55 -0.75 4.52 4.34 2znbB1 MET 182 HB2 -0.11 -0.17 0.04 -0.04 2.15 1.86 2znbB1 MET 182 HB3 0.00 0.31 -0.03 -0.04 2.03 2.27 2znbB1 MET 182 HG2 0.22 0.03 -0.42 -0.04 2.63 2.42 2znbB1 MET 182 HG3 0.30 -0.06 -0.03 -0.04 2.56 2.73 2znbB1 MET 182 HE3 -0.10 -0.02 -0.20 -0.04 2.10 1.73 2znbB1 LEU 183 H 0.08 0.51 -0.13 -0.55 8.37 8.28 2znbB1 LEU 183 HA 0.14 0.15 0.80 -0.75 4.35 4.69 2znbB1 LEU 183 HB2 0.07 0.03 -0.03 -0.04 1.64 1.67 2znbB1 LEU 183 HB3 0.10 0.04 -0.17 -0.04 1.64 1.57 2znbB1 LEU 183 HG 0.09 -0.01 -0.33 -0.04 1.64 1.35 2znbB1 LEU 183 HD13 0.08 -0.03 -0.18 -0.04 0.93 0.76 2znbB1 LEU 183 HD23 0.11 0.04 -0.18 -0.04 0.89 0.83 2znbB1 LYS 184 H 0.07 0.20 0.08 -0.55 8.42 8.21 2znbB1 LYS 184 HA 0.09 0.09 0.79 -0.75 4.32 4.54 2znbB1 LYS 184 HB2 0.01 0.03 -0.04 -0.04 1.87 1.82 2znbB1 LYS 184 HB3 0.06 -0.03 0.02 -0.04 1.79 1.80 2znbB1 LYS 184 HG2 -0.01 -0.03 -0.17 -0.04 1.46 1.21 2znbB1 LYS 184 HG3 -0.11 0.08 -0.11 -0.04 1.46 1.27 2znbB1 LYS 184 HD2 0.05 -0.07 -0.05 -0.04 1.69 1.58 2znbB1 LYS 184 HD3 0.11 -0.01 -0.15 -0.04 1.68 1.58 2znbB1 LYS 184 HE2 0.20 0.02 -0.10 -0.04 2.99 3.07 2znbB1 LYS 184 HE3 -0.01 0.12 -0.04 -0.04 2.99 3.01 2znbB1 ASP 185 H 0.09 0.10 0.14 -0.55 8.40 8.19 2znbB1 ASP 185 HA 0.07 0.19 0.58 -0.75 4.63 4.72 2znbB1 ASP 185 HB2 0.01 0.06 0.24 -0.04 2.71 2.98 2znbB1 ASP 185 HB3 0.05 0.22 0.10 -0.04 2.70 3.03 2znbB1 ASN 186 H -0.02 0.22 0.14 -0.55 8.53 8.33 2znbB1 ASN 186 HA -0.37 0.14 0.39 -0.75 4.76 4.17 2znbB1 ASN 186 HB2 -0.09 0.00 0.11 -0.04 2.88 2.86 2znbB1 ASN 186 HB3 -0.17 0.05 -0.02 -0.04 2.79 2.62 2znbB1 ASN 186 HD21 -0.02 -0.12 0.02 -0.04 7.03 6.87 2znbB1 ASN 186 HD22 -0.05 0.08 0.04 -0.04 7.74 7.76 2znbB1 GLN 187 H -0.03 -0.03 -0.20 -0.55 8.47 7.66 2znbB1 GLN 187 HA -0.05 0.14 0.45 -0.75 4.36 4.16 2znbB1 GLN 187 HB2 -0.01 -0.10 0.08 -0.04 2.15 2.08 2znbB1 GLN 187 HB3 -0.00 0.01 -0.03 -0.04 2.02 1.96 2znbB1 GLN 187 HG2 -0.03 0.06 0.03 -0.04 2.40 2.41 2znbB1 GLN 187 HG3 -0.04 -0.02 0.00 -0.04 2.39 2.28 2znbB1 GLN 187 HE21 -0.01 0.01 -0.00 -0.04 6.97 6.92 2znbB1 GLN 187 HE22 -0.01 0.02 0.00 -0.04 7.69 7.66 2znbB1 ALA 188 H 0.09 0.11 -0.36 -0.55 8.40 7.70 2znbB1 ALA 188 HA 0.06 -0.06 0.23 -0.75 4.34 3.82 2znbB1 ALA 188 HB3 0.09 0.03 0.02 -0.04 1.41 1.51 2znbB1 THR 189 H 0.04 -0.12 0.20 -0.55 8.28 7.86 2znbB1 THR 189 HA 0.03 0.29 0.85 -0.75 4.39 4.80 2znbB1 THR 189 HB 0.02 -0.01 0.07 -0.04 4.32 4.36 2znbB1 THR 189 HG23 0.06 0.05 -0.11 -0.04 1.22 1.18 2znbB1 SER 190 H 0.01 -0.11 0.16 -0.55 8.46 7.97 2znbB1 SER 190 HA 0.01 0.16 0.49 -0.75 4.49 4.39 2znbB1 SER 190 HB2 0.01 0.00 0.02 -0.04 3.95 3.94 2znbB1 SER 190 HB3 0.01 -0.11 0.04 -0.04 3.93 3.82 2znbB1 ILE 191 H -0.01 0.15 0.16 -0.55 8.25 8.00 2znbB1 ILE 191 HA -0.14 0.15 0.39 -0.75 4.18 3.82 2znbB1 ILE 191 HB -0.16 0.06 0.06 -0.04 1.89 1.81 2znbB1 ILE 191 HG12 0.01 0.00 -0.09 -0.04 1.49 1.38 2znbB1 ILE 191 HG13 -0.35 0.01 0.01 -0.04 1.21 0.84 2znbB1 ILE 191 HG23 -0.33 0.03 -0.03 -0.04 0.93 0.57 2znbB1 ILE 191 HD13 -0.47 -0.00 -0.01 -0.04 0.88 0.35 2znbB1 GLY 192 H 0.00 -0.07 -0.19 -0.55 8.43 7.63 2znbB1 GLY 192 HA2 0.02 -0.01 0.22 -0.51 4.01 3.73 2znbB1 GLY 192 HA3 0.06 0.12 0.47 -0.51 4.01 4.16 2znbB1 ASN 193 H 0.05 0.11 0.12 -0.55 8.53 8.28 2znbB1 ASN 193 HA 0.02 0.01 0.51 -0.75 4.76 4.55 2znbB1 ASN 193 HB2 -0.01 0.04 0.16 -0.04 2.88 3.03 2znbB1 ASN 193 HB3 0.10 0.03 0.22 -0.04 2.79 3.10 2znbB1 ASN 193 HD21 -0.26 -0.00 0.00 -0.04 7.03 6.73 2znbB1 ASN 193 HD22 -0.20 0.02 0.03 -0.04 7.74 7.55 2znbB1 ILE 194 H 0.01 0.18 0.23 -0.55 8.25 8.13 2znbB1 ILE 194 HA -0.02 0.24 0.90 -0.75 4.18 4.55 2znbB1 ILE 194 HB -0.01 -0.04 0.18 -0.04 1.89 1.98 2znbB1 ILE 194 HG12 -0.03 0.06 0.10 -0.04 1.49 1.58 2znbB1 ILE 194 HG13 0.01 -0.01 -0.07 -0.04 1.21 1.09 2znbB1 ILE 194 HG23 -0.02 0.10 -0.21 -0.04 0.93 0.76 2znbB1 ILE 194 HD13 -0.13 0.00 0.00 -0.04 0.88 0.71 2znbB1 SER 195 H -0.00 0.08 -0.16 -0.55 8.46 7.83 2znbB1 SER 195 HA 0.04 0.13 0.38 -0.75 4.49 4.29 2znbB1 SER 195 HB2 0.08 0.07 0.08 -0.04 3.95 4.14 2znbB1 SER 195 HB3 0.03 -0.02 0.10 -0.04 3.93 4.01 2znbB1 ASP 196 H -0.03 0.09 -0.19 -0.55 8.40 7.72 2znbB1 ASP 196 HA 0.07 0.28 0.89 -0.75 4.63 5.11 2znbB1 ASP 196 HB2 0.33 0.01 -0.02 -0.04 2.71 2.99 2znbB1 ASP 196 HB3 -0.09 0.01 0.10 -0.04 2.70 2.68 2znbB1 ALA 197 H -0.08 0.17 -0.34 -0.55 8.40 7.61 2znbB1 ALA 197 HA -0.27 0.05 0.22 -0.75 4.34 3.58 2znbB1 ALA 197 HB3 -0.11 0.04 0.09 -0.04 1.41 1.40 2znbB1 ASP 198 H -0.17 0.53 -0.08 -0.55 8.40 8.13 2znbB1 ASP 198 HA 0.03 0.24 0.91 -0.75 4.63 5.05 2znbB1 ASP 198 HB2 -0.01 0.08 -0.04 -0.04 2.71 2.70 2znbB1 ASP 198 HB3 -0.01 -0.05 0.07 -0.04 2.70 2.67 2znbB1 VAL 199 H 0.12 0.33 -0.23 -0.55 8.24 7.91 2znbB1 VAL 199 HA 0.45 0.09 0.40 -0.75 4.13 4.32 2znbB1 VAL 199 HB 0.18 0.01 0.04 -0.04 2.12 2.31 2znbB1 VAL 199 HG13 0.29 0.03 -0.13 -0.04 0.97 1.12 2znbB1 VAL 199 HG23 0.11 0.02 -0.03 -0.04 0.95 1.02 2znbB1 THR 200 H 0.12 0.05 -0.32 -0.55 8.28 7.58 2znbB1 THR 200 HA 0.10 0.19 0.48 -0.75 4.39 4.41 2znbB1 THR 200 HB 0.06 0.05 0.01 -0.04 4.32 4.40 2znbB1 THR 200 HG23 0.07 0.02 -0.03 -0.04 1.22 1.24 2znbB1 ALA 201 H 0.11 0.11 -0.20 -0.55 8.40 7.87 2znbB1 ALA 201 HA 0.07 0.11 0.66 -0.75 4.34 4.43 2znbB1 ALA 201 HB3 0.05 0.00 0.07 -0.04 1.41 1.50 2znbB1 TRP 202 H 0.28 0.19 -0.27 -0.55 7.97 7.62 2znbB1 TRP 202 HA -0.01 0.23 0.51 -0.75 4.62 4.59 2znbB1 TRP 202 HB2 0.00 0.07 0.07 -0.04 3.23 3.33 2znbB1 TRP 202 HB3 0.00 0.13 0.07 -0.04 3.23 3.39 2znbB1 TRP 202 HD1 -0.01 -0.07 0.04 -0.04 7.22 7.14 2znbB1 TRP 202 HE1 -0.01 0.34 0.10 -0.04 10.20 10.59 2znbB1 TRP 202 HE3 -0.03 -0.04 -0.14 -0.04 7.59 7.34 2znbB1 TRP 202 HZ2 -0.00 0.10 -0.02 -0.04 7.44 7.48 2znbB1 TRP 202 HZ3 -0.06 0.02 -0.09 -0.04 7.13 6.96 2znbB1 TRP 202 HH2 0.05 0.15 -0.02 -0.04 7.19 7.33 2znbB1 PRO 203 HA 0.01 0.05 0.46 -0.51 4.44 4.45 2znbB1 PRO 203 HB2 0.01 0.03 -0.03 -0.04 2.28 2.25 2znbB1 PRO 203 HB3 -0.03 0.04 0.09 -0.04 2.02 2.08 2znbB1 PRO 203 HG2 0.06 0.10 -0.01 -0.04 2.03 2.14 2znbB1 PRO 203 HG3 0.04 0.08 0.03 -0.04 2.03 2.13 2znbB1 PRO 203 HD2 0.18 -0.05 -0.53 -0.04 3.68 3.24 2znbB1 PRO 203 HD3 0.14 0.22 0.07 -0.04 3.65 4.04 2znbB1 LYS 204 H 0.08 0.24 -0.31 -0.55 8.42 7.87 2znbB1 LYS 204 HA 0.02 0.02 0.44 -0.75 4.32 4.05 2znbB1 LYS 204 HB2 0.04 0.14 0.14 -0.04 1.87 2.15 2znbB1 LYS 204 HB3 0.02 -0.02 0.07 -0.04 1.79 1.81 2znbB1 LYS 204 HG2 0.02 -0.02 0.05 -0.04 1.46 1.48 2znbB1 LYS 204 HG3 0.03 -0.05 0.04 -0.04 1.46 1.43 2znbB1 LYS 204 HD2 0.05 0.06 0.22 -0.04 1.69 1.98 2znbB1 LYS 204 HD3 0.03 -0.06 0.07 -0.04 1.68 1.68 2znbB1 LYS 204 HE2 0.04 0.05 0.08 -0.04 2.99 3.12 2znbB1 LYS 204 HE3 0.04 -0.04 0.02 -0.04 2.99 2.97 2znbB1 THR 205 H 0.10 0.54 -0.15 -0.55 8.28 8.22 2znbB1 THR 205 HA -0.02 0.12 0.38 -0.75 4.39 4.12 2znbB1 THR 205 HB 0.13 0.12 0.03 -0.04 4.32 4.56 2znbB1 THR 205 HG23 -0.06 -0.02 -0.40 -0.04 1.22 0.70 2znbB1 LEU 206 H 0.15 0.50 -0.17 -0.55 8.37 8.30 2znbB1 LEU 206 HA 0.09 -0.01 0.43 -0.75 4.35 4.10 2znbB1 LEU 206 HB2 0.05 0.15 0.19 -0.04 1.64 1.98 2znbB1 LEU 206 HB3 0.03 -0.03 0.03 -0.04 1.64 1.63 2znbB1 LEU 206 HG 0.39 0.13 0.03 -0.04 1.64 2.15 2znbB1 LEU 206 HD13 -0.21 -0.02 -0.17 -0.04 0.93 0.50 2znbB1 LEU 206 HD23 0.19 0.04 -0.02 -0.04 0.89 1.06 2znbB1 ASP 207 H 0.02 0.48 -0.18 -0.55 8.40 8.17 2znbB1 ASP 207 HA -0.02 0.00 0.44 -0.75 4.63 4.30 2znbB1 ASP 207 HB2 -0.01 0.16 0.15 -0.04 2.71 2.97 2znbB1 ASP 207 HB3 -0.03 -0.05 -0.02 -0.04 2.70 2.56 2znbB1 LYS 208 H -0.03 0.49 -0.12 -0.55 8.42 8.21 2znbB1 LYS 208 HA -0.10 -0.01 0.48 -0.75 4.32 3.93 2znbB1 LYS 208 HB2 -0.07 0.18 0.15 -0.04 1.87 2.09 2znbB1 LYS 208 HB3 -0.12 -0.07 0.04 -0.04 1.79 1.60 2znbB1 LYS 208 HG2 -0.06 -0.08 0.07 -0.04 1.46 1.34 2znbB1 LYS 208 HG3 -0.04 0.15 0.13 -0.04 1.46 1.66 2znbB1 LYS 208 HD2 -0.07 0.25 0.14 -0.04 1.69 1.97 2znbB1 LYS 208 HD3 -0.07 -0.09 0.06 -0.04 1.68 1.55 2znbB1 LYS 208 HE2 -0.02 -0.08 0.01 -0.04 2.99 2.86 2znbB1 LYS 208 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.88 2znbB1 VAL 209 H -0.03 0.51 -0.29 -0.55 8.24 7.88 2znbB1 VAL 209 HA -0.09 0.03 0.51 -0.75 4.13 3.83 2znbB1 VAL 209 HB 0.06 0.10 0.08 -0.04 2.12 2.32 2znbB1 VAL 209 HG13 0.20 -0.03 -0.12 -0.04 0.97 0.98 2znbB1 VAL 209 HG23 0.05 0.11 -0.08 -0.04 0.95 1.00 2znbB1 LYS 210 H -0.04 0.44 -0.21 -0.55 8.42 8.06 2znbB1 LYS 210 HA -0.02 -0.00 0.33 -0.75 4.32 3.88 2znbB1 LYS 210 HB2 -0.01 0.09 0.12 -0.04 1.87 2.02 2znbB1 LYS 210 HB3 -0.04 0.08 0.17 -0.04 1.79 1.96 2znbB1 ALA 211 H -0.11 0.63 -0.06 -0.55 8.40 8.31 2znbB1 ALA 211 HA -0.12 0.00 0.25 -0.75 4.34 3.71 2znbB1 ALA 211 HB3 -0.13 0.01 0.10 -0.04 1.41 1.34 2znbB1 LYS 212 H -0.41 0.24 -0.58 -0.55 8.42 7.12 2znbB1 LYS 212 HA -0.50 0.08 0.47 -0.75 4.32 3.61 2znbB1 LYS 212 HB2 -0.62 0.22 0.10 -0.04 1.87 1.53 2znbB1 LYS 212 HB3 -1.68 0.00 0.01 -0.04 1.79 0.08 2znbB1 LYS 212 HG2 -1.13 -0.05 0.03 -0.04 1.46 0.27 2znbB1 LYS 212 HG3 -0.57 -0.03 0.02 -0.04 1.46 0.84 2znbB1 LYS 212 HD2 -0.56 0.02 -0.04 -0.04 1.69 1.06 2znbB1 LYS 212 HD3 -1.10 -0.02 -0.08 -0.04 1.68 0.44 2znbB1 LYS 212 HE2 -1.20 -0.03 -0.08 -0.04 2.99 1.64 2znbB1 LYS 212 HE3 -1.06 -0.03 -0.06 -0.04 2.99 1.80 2znbB1 PHE 213 H -0.40 0.43 -0.23 -0.55 8.34 7.59 2znbB1 PHE 213 HA -0.63 0.19 1.04 -0.75 4.62 4.46 2znbB1 PHE 213 HB2 -0.41 0.07 0.12 -0.04 3.15 2.89 2znbB1 PHE 213 HB3 -1.12 -0.12 0.07 -0.04 3.06 1.85 2znbB1 PHE 213 HD2 -1.42 0.08 -0.06 -0.04 7.28 5.83 2znbB1 PHE 213 HE2 -0.49 -0.02 -0.09 -0.04 7.38 6.75 2znbB1 PHE 213 HZ -0.47 -0.01 -0.13 -0.04 7.32 6.67 2znbB1 PRO 214 HA -0.02 0.08 0.46 -0.51 4.44 4.45 2znbB1 PRO 214 HB2 -0.02 -0.01 0.02 -0.04 2.28 2.22 2znbB1 PRO 214 HB3 -0.06 0.06 0.07 -0.04 2.02 2.06 2znbB1 PRO 214 HG2 -0.03 -0.07 0.02 -0.04 2.03 1.90 2znbB1 PRO 214 HG3 -0.08 0.07 0.01 -0.04 2.03 1.99 2znbB1 PRO 214 HD2 -0.23 0.28 -0.50 -0.04 3.68 3.19 2znbB1 PRO 214 HD3 -0.19 0.33 -0.37 -0.04 3.65 3.37 2znbB1 SER 215 H 0.05 0.09 -0.34 -0.55 8.46 7.72 2znbB1 SER 215 HA 0.08 0.16 0.49 -0.75 4.49 4.47 2znbB1 SER 215 HB2 0.14 0.02 0.10 -0.04 3.95 4.17 2znbB1 SER 215 HB3 0.12 -0.03 0.02 -0.04 3.93 4.01 2znbB1 ALA 216 H 0.11 0.37 -0.52 -0.55 8.40 7.82 2znbB1 ALA 216 HA 0.47 -0.06 0.22 -0.75 4.34 4.22 2znbB1 ALA 216 HB3 0.15 -0.02 -0.02 -0.04 1.41 1.48 2znbB1 ARG 217 H 0.14 0.73 0.48 -0.55 8.46 9.25 2znbB1 ARG 217 HA -0.08 0.08 0.88 -0.75 4.34 4.47 2znbB1 ARG 217 HB2 -0.07 0.02 0.23 -0.04 1.90 2.05 2znbB1 ARG 217 HB3 -0.10 0.10 0.34 -0.04 1.80 2.10 2znbB1 ARG 217 HG2 -0.83 -0.04 -0.24 -0.04 1.67 0.52 2znbB1 ARG 217 HG3 -0.27 -0.06 0.10 -0.04 1.67 1.40 2znbB1 ARG 217 HD2 -0.13 0.03 0.09 -0.04 3.22 3.16 2znbB1 ARG 217 HD3 -0.22 0.03 0.05 -0.04 3.22 3.04 2znbB1 TYR 218 H 0.09 0.33 0.41 -0.55 8.29 8.57 2znbB1 TYR 218 HA 0.12 0.35 0.94 -0.75 4.56 5.20 2znbB1 TYR 218 HB2 -0.05 -0.05 0.18 -0.04 3.06 3.09 2znbB1 TYR 218 HB3 -0.07 -0.03 0.04 -0.04 2.98 2.88 2znbB1 TYR 218 HD2 0.07 0.07 0.09 -0.04 7.15 7.34 2znbB1 TYR 218 HE2 0.07 0.05 0.05 -0.04 6.85 6.99 2znbB1 VAL 219 H 0.30 0.70 0.08 -0.55 8.24 8.76 2znbB1 VAL 219 HA 0.18 0.24 0.88 -0.75 4.13 4.67 2znbB1 VAL 219 HB 0.15 -0.00 -0.23 -0.04 2.12 2.00 2znbB1 VAL 219 HG13 0.12 -0.02 -0.25 -0.04 0.97 0.78 2znbB1 VAL 219 HG23 0.14 -0.01 -0.38 -0.04 0.95 0.66 2znbB1 VAL 220 H 0.20 0.63 0.27 -0.55 8.24 8.78 2znbB1 VAL 220 HA 0.21 0.15 0.91 -0.75 4.13 4.65 2znbB1 VAL 220 HB 0.19 -0.10 0.14 -0.04 2.12 2.31 2znbB1 VAL 220 HG13 -0.01 0.06 -0.11 -0.04 0.97 0.88 2znbB1 VAL 220 HG23 -0.06 0.02 -0.15 -0.04 0.95 0.71 2znbB1 PRO 221 HA 0.09 0.15 0.49 -0.51 4.44 4.67 2znbB1 PRO 221 HB2 0.07 0.03 -0.16 -0.04 2.28 2.18 2znbB1 PRO 221 HB3 0.09 0.03 -0.47 -0.04 2.02 1.64 2znbB1 PRO 221 HG2 0.07 0.08 -0.57 -0.04 2.03 1.57 2znbB1 PRO 221 HG3 0.08 0.09 -0.37 -0.04 2.03 1.78 2znbB1 PRO 221 HD2 0.14 0.10 -0.08 -0.04 3.68 3.80 2znbB1 PRO 221 HD3 0.16 0.17 0.05 -0.04 3.65 3.98 2znbB1 GLY 222 H -0.01 0.48 -0.15 -0.55 8.43 8.21 2znbB1 GLY 222 HA2 -0.09 0.08 0.43 -0.51 4.01 3.92 2znbB1 GLY 222 HA3 -0.22 -0.07 0.12 -0.51 4.01 3.34 2znbB1 HIS 223 H -0.02 0.18 -0.10 -0.55 8.41 7.92 2znbB1 HIS 223 HA 0.03 0.17 0.75 -0.75 4.63 4.82 2znbB1 HIS 223 HB2 0.02 -0.08 -0.01 -0.04 3.26 3.14 2znbB1 HIS 223 HB3 0.01 0.06 0.04 -0.04 3.20 3.27 2znbB1 HIS 223 HD2 -0.03 -0.00 -0.08 -0.04 6.97 6.81 2znbB1 HIS 223 HE1 0.02 -0.06 0.02 -0.04 7.75 7.68 2znbB1 GLY 224 H 0.09 0.15 0.03 -0.55 8.43 8.15 2znbB1 GLY 224 HA2 0.04 0.02 0.33 -0.51 4.01 3.89 2znbB1 GLY 224 HA3 0.05 0.09 0.81 -0.51 4.01 4.46 2znbB1 ASP 225 H -0.02 0.02 0.17 -0.55 8.40 8.02 2znbB1 ASP 225 HA -0.06 0.11 0.52 -0.75 4.63 4.45 2znbB1 ASP 225 HB2 -0.12 -0.11 0.09 -0.04 2.71 2.53 2znbB1 ASP 225 HB3 -0.29 0.17 0.01 -0.04 2.70 2.55 2znbB1 TYR 226 H -0.24 0.10 0.17 -0.55 8.29 7.77 2znbB1 TYR 226 HA 0.03 0.10 0.45 -0.75 4.56 4.38 2znbB1 TYR 226 HB2 0.02 0.12 0.06 -0.04 3.06 3.23 2znbB1 TYR 226 HB3 -0.03 -0.04 0.11 -0.04 2.98 2.98 2znbB1 TYR 226 HD2 -0.03 0.07 -0.04 -0.04 7.15 7.10 2znbB1 TYR 226 HE2 -0.24 0.02 -0.04 -0.04 6.85 6.54 2znbB1 GLY 227 H 0.26 0.57 0.33 -0.55 8.43 9.05 2znbB1 GLY 227 HA2 0.08 0.19 0.72 -0.51 4.01 4.49 2znbB1 GLY 227 HA3 0.07 -0.09 0.47 -0.51 4.01 3.94 2znbB1 GLY 228 H 0.10 0.04 0.20 -0.55 8.43 8.22 2znbB1 GLY 228 HA2 0.15 0.27 0.66 -0.51 4.01 4.57 2znbB1 GLY 228 HA3 0.08 0.14 0.38 -0.51 4.01 4.10 2znbB1 THR 229 H 0.06 0.37 0.05 -0.55 8.28 8.22 2znbB1 THR 229 HA 0.08 0.06 0.18 -0.75 4.39 3.95 2znbB1 THR 229 HB 0.04 -0.00 0.15 -0.04 4.32 4.46 2znbB1 THR 229 HG23 0.06 0.06 0.03 -0.04 1.22 1.33 2znbB1 GLU 230 H 0.05 0.05 -0.73 -0.55 8.60 7.42 2znbB1 GLU 230 HA 0.04 0.13 0.62 -0.75 4.29 4.32 2znbB1 GLU 230 HB2 0.02 0.04 0.06 -0.04 2.09 2.17 2znbB1 GLU 230 HB3 0.02 0.04 0.04 -0.04 1.99 2.05 2znbB1 GLU 230 HG2 0.02 0.04 -0.17 -0.04 2.34 2.20 2znbB1 GLU 230 HG3 -0.01 0.07 -0.04 -0.04 2.34 2.32 2znbB1 LEU 231 H 0.07 0.48 0.03 -0.55 8.37 8.41 2znbB1 LEU 231 HA 0.11 0.08 0.36 -0.75 4.35 4.15 2znbB1 LEU 231 HB2 0.10 0.07 0.07 -0.04 1.64 1.83 2znbB1 LEU 231 HB3 0.10 0.07 0.00 -0.04 1.64 1.77 2znbB1 LEU 231 HG 0.08 -0.03 0.07 -0.04 1.64 1.71 2znbB1 LEU 231 HD13 0.06 -0.00 0.08 -0.04 0.93 1.03 2znbB1 LEU 231 HD23 0.10 0.07 -0.10 -0.04 0.89 0.92 2znbB1 ILE 232 H 0.06 0.21 -0.66 -0.55 8.25 7.31 2znbB1 ILE 232 HA 0.05 0.06 0.17 -0.75 4.18 3.71 2znbB1 ILE 232 HB 0.04 0.15 0.08 -0.04 1.89 2.11 2znbB1 ILE 232 HG12 0.07 -0.01 -0.12 -0.04 1.49 1.39 2znbB1 ILE 232 HG13 0.07 -0.13 -0.09 -0.04 1.21 1.02 2znbB1 ILE 232 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 2znbB1 ILE 232 HD13 0.06 0.02 -0.12 -0.04 0.88 0.80 2znbB1 GLU 233 H 0.03 0.24 -0.01 -0.55 8.60 8.32 2znbB1 GLU 233 HA -0.01 0.08 0.62 -0.75 4.29 4.23 2znbB1 GLU 233 HB2 0.01 0.02 0.09 -0.04 2.09 2.17 2znbB1 GLU 233 HB3 0.03 0.05 0.05 -0.04 1.99 2.07 2znbB1 GLU 233 HG2 0.01 0.02 -0.03 -0.04 2.34 2.29 2znbB1 GLU 233 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.29 2znbB1 HIS 234 H 0.11 0.49 -0.29 -0.55 8.41 8.17 2znbB1 HIS 234 HA -0.03 0.04 0.42 -0.75 4.63 4.31 2znbB1 HIS 234 HB2 -0.01 -0.01 0.03 -0.04 3.26 3.23 2znbB1 HIS 234 HB3 -0.01 0.06 0.06 -0.04 3.20 3.27 2znbB1 HIS 234 HD2 -0.01 0.10 -0.33 -0.04 6.97 6.68 2znbB1 HIS 234 HE1 -0.02 -0.04 0.00 -0.04 7.75 7.64 2znbB1 THR 235 H -0.00 0.71 -0.09 -0.55 8.28 8.35 2znbB1 THR 235 HA -0.29 0.00 0.30 -0.75 4.39 3.65 2znbB1 THR 235 HB -0.06 0.12 0.15 -0.04 4.32 4.50 2znbB1 THR 235 HG23 -0.26 0.07 -0.02 -0.04 1.22 0.96 2znbB1 LYS 236 H -0.10 0.42 -0.23 -0.55 8.42 7.96 2znbB1 LYS 236 HA -0.23 -0.02 0.39 -0.75 4.32 3.70 2znbB1 LYS 236 HB2 -0.06 0.04 0.12 -0.04 1.87 1.92 2znbB1 LYS 236 HB3 -0.06 0.06 0.16 -0.04 1.79 1.91 2znbB1 LYS 236 HG2 -0.07 -0.02 -0.08 -0.04 1.46 1.26 2znbB1 LYS 236 HG3 -0.07 -0.08 0.11 -0.04 1.46 1.38 2znbB1 LYS 236 HD2 -0.02 0.05 0.00 -0.04 1.69 1.68 2znbB1 LYS 236 HD3 -0.03 0.01 -0.01 -0.04 1.68 1.61 2znbB1 LYS 236 HE2 -0.03 0.00 -0.04 -0.04 2.99 2.88 2znbB1 LYS 236 HE3 -0.02 -0.04 -0.03 -0.04 2.99 2.86 2znbB1 GLN 237 H -0.13 0.55 -0.37 -0.55 8.47 7.97 2znbB1 GLN 237 HA -0.08 -0.04 0.41 -0.75 4.36 3.89 2znbB1 ILE 238 H -0.31 0.55 -0.07 -0.55 8.25 7.87 2znbB1 ILE 238 HA -0.15 0.04 0.34 -0.75 4.18 3.65 2znbB1 ILE 238 HB -0.35 0.09 0.06 -0.04 1.89 1.65 2znbB1 ILE 238 HG12 -0.27 0.02 -0.07 -0.04 1.49 1.12 2znbB1 ILE 238 HG13 -0.64 0.17 -0.07 -0.04 1.21 0.64 2znbB1 ILE 238 HG23 -0.17 0.08 -0.39 -0.04 0.93 0.40 2znbB1 ILE 238 HD13 -0.22 0.03 -0.39 -0.04 0.88 0.26 2znbB1 VAL 239 H -0.34 0.51 -0.27 -0.55 8.24 7.59 2znbB1 VAL 239 HA -0.22 -0.01 0.34 -0.75 4.13 3.48 2znbB1 VAL 239 HB -0.42 0.07 0.11 -0.04 2.12 1.84 2znbB1 VAL 239 HG13 -0.12 -0.05 -0.03 -0.04 0.97 0.73 2znbB1 VAL 239 HG23 -1.47 0.04 -0.02 -0.04 0.95 -0.54 2znbB1 ASN 240 H -0.13 0.70 0.02 -0.55 8.53 8.57 2znbB1 ASN 240 HA -0.02 0.02 0.53 -0.75 4.76 4.53 2znbB1 ASN 240 HB2 -0.06 0.15 0.18 -0.04 2.88 3.11 2znbB1 ASN 240 HB3 -0.03 -0.05 0.07 -0.04 2.79 2.73 2znbB1 ASN 240 HD21 -0.01 -0.03 0.02 -0.04 7.03 6.97 2znbB1 ASN 240 HD22 -0.01 -0.02 0.06 -0.04 7.74 7.73 2znbB1 GLN 241 H -0.06 0.63 -0.25 -0.55 8.47 8.24 2znbB1 GLN 241 HA -0.03 -0.00 0.50 -0.75 4.36 4.07 2znbB1 GLN 241 HB2 -0.04 0.04 0.10 -0.04 2.15 2.20 2znbB1 GLN 241 HB3 -0.03 0.16 0.12 -0.04 2.02 2.22 2znbB1 GLN 241 HG2 -0.02 -0.00 -0.01 -0.04 2.40 2.33 2znbB1 GLN 241 HG3 -0.02 -0.03 -0.18 -0.04 2.39 2.13 2znbB1 GLN 241 HE21 -0.03 0.00 0.02 -0.04 6.97 6.92 2znbB1 GLN 241 HE22 -0.03 -0.00 0.02 -0.04 7.69 7.63 2znbB1 TYR 242 H 0.06 0.54 -0.09 -0.55 8.29 8.25 2znbB1 TYR 242 HA -0.03 -0.01 0.52 -0.75 4.56 4.29 2znbB1 TYR 242 HB2 -0.06 -0.02 0.15 -0.04 3.06 3.09 2znbB1 TYR 242 HB3 -0.07 0.16 0.21 -0.04 2.98 3.24 2znbB1 TYR 242 HD2 0.01 0.01 -0.08 -0.04 7.15 7.05 2znbB1 TYR 242 HE2 0.04 -0.03 -0.04 -0.04 6.85 6.78 2znbB1 ILE 243 H 0.07 0.54 -0.20 -0.55 8.25 8.10 2znbB1 ILE 243 HA -0.09 -0.01 0.35 -0.75 4.18 3.68 2znbB1 ILE 243 HB 0.01 0.11 0.14 -0.04 1.89 2.11 2znbB1 ILE 243 HG12 0.12 -0.10 -0.08 -0.04 1.49 1.39 2znbB1 ILE 243 HG13 0.21 0.02 -0.00 -0.04 1.21 1.39 2znbB1 ILE 243 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.74 2znbB1 ILE 243 HD13 0.07 0.06 -0.07 -0.04 0.88 0.90 2znbB1 GLU 244 H -0.05 0.50 -0.12 -0.55 8.60 8.38 2znbB1 GLU 244 HA -0.04 -0.00 0.43 -0.75 4.29 3.92 2znbB1 GLU 244 HB2 -0.03 -0.00 0.15 -0.04 2.09 2.17 2znbB1 GLU 244 HB3 -0.04 0.05 0.28 -0.04 1.99 2.24 2znbB1 GLU 244 HG2 -0.04 0.02 -0.10 -0.04 2.34 2.18 2znbB1 GLU 244 HG3 -0.03 -0.04 0.04 -0.04 2.34 2.28 2znbB1 SER 245 H -0.11 0.68 -0.12 -0.55 8.46 8.36 2znbB1 SER 245 HA -0.08 0.03 0.23 -0.75 4.49 3.91 2znbB1 SER 245 HB2 -0.08 -0.09 0.11 -0.04 3.95 3.84 2znbB1 SER 245 HB3 -0.07 -0.03 0.12 -0.04 3.93 3.91 2znbB1 THR 246 H -0.25 0.38 -0.33 -0.55 8.28 7.54 2znbB1 THR 246 HA -0.13 0.13 0.85 -0.75 4.39 4.49 2znbB1 THR 246 HB -0.15 -0.09 0.18 -0.04 4.32 4.22 2znbB1 THR 246 HG23 -0.46 -0.00 -0.04 -0.04 1.22 0.68 2znbB1 SER 247 H -0.09 0.45 -0.28 -0.55 8.46 8.00 2znbB1 SER 247 HA -0.04 0.17 0.78 -0.75 4.49 4.64