============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 3 1.000 42.252 24.682 63.628 -99.200 -91.000 TYR 4 0.840 47.802 30.375 64.227 -99.200 -91.000 TYR 18 0.840 45.689 23.679 72.095 -99.200 -91.000 TYR 32 0.840 58.718 31.079 71.357 -99.200 -91.000 PHE 37 1.000 68.298 38.833 66.815 -99.200 -91.000 HIS 39 0.900 69.228 44.322 61.934 -99.200 -91.000 PHE 51 1.000 68.763 35.322 69.501 -99.200 -91.000 TRP 60 1.040 68.135 40.266 71.260 -99.200 -91.000 TRP6 60 1.020 65.921 40.054 70.498 -99.200 -91.000 PHE 68 1.000 57.700 36.039 73.244 -99.200 -91.000 TYR 72 0.840 53.329 29.751 70.922 -99.200 -91.000 TYR 77 0.840 50.361 25.800 65.765 -99.200 -91.000 TYR 83 0.840 41.334 26.578 57.536 -99.200 -91.000 PHE 87 1.000 36.386 20.619 64.244 -99.200 -91.000 PHE 102 1.000 26.927 58.598 65.063 -99.200 -91.000 TYR 110 0.840 20.137 58.570 74.245 -99.200 -91.000 HIS 117 0.900 27.112 36.795 70.192 -99.200 -91.000 TYR 118 0.840 24.937 32.357 63.170 -99.200 -91.000 PHE 125 1.000 20.271 33.639 63.073 -99.200 -91.000 TYR 126 0.840 22.862 31.874 71.596 -99.200 -91.000 PHE 128 1.000 21.475 38.128 74.991 -99.200 -91.000 TYR 135 0.840 14.176 57.562 74.456 -99.200 -91.000 TRP 141 1.040 10.142 39.228 67.586 -99.200 -91.000 TRP6 141 1.020 10.928 37.030 67.178 -99.200 -91.000 TYR 167 0.840 11.950 37.670 72.731 -99.200 -91.000 PHE 170 1.000 17.687 39.358 79.423 -99.200 -91.000 TYR 180 0.840 26.402 40.237 73.977 -99.200 -91.000 TRP 184 1.040 30.530 38.327 73.766 -99.200 -91.000 TRP6 184 1.020 32.427 39.281 72.715 -99.200 -91.000 PHE 192 1.000 31.207 40.259 68.317 -99.200 -91.000 TRP 195 1.040 27.832 46.620 56.776 -99.200 -91.000 TRP6 195 1.020 28.609 45.080 55.161 -99.200 -91.000 PHE 200 1.000 25.842 52.273 67.781 -99.200 -91.000 TYR 204 0.840 25.773 52.775 72.976 -99.200 -91.000 PHE 221 1.000 31.824 41.991 76.881 -99.200 -91.000 TYR 236 0.840 36.598 50.190 74.439 -99.200 -91.000 TYR 246 0.840 31.713 39.694 55.977 -99.200 -91.000 TYR 250 0.840 30.700 43.910 50.037 -99.200 -91.000 PHE 253 1.000 40.712 40.900 51.420 -99.200 -91.000 PHE 255 1.000 38.503 45.279 42.330 -99.200 -91.000 PHE 261 1.000 30.894 50.095 49.265 -99.200 -91.000 HIS 269 0.900 25.677 43.953 44.250 -99.200 -91.000 TYR 278 0.840 12.784 52.766 55.596 -99.200 -91.000 HIS 290 0.900 9.387 45.028 71.106 -99.200 -91.000 TYR 293 0.840 13.953 48.750 67.729 -99.200 -91.000 TYR 296 0.840 12.701 46.361 59.948 -99.200 -91.000 PHE 313 1.000 34.762 38.883 50.740 -99.200 -91.000 TYR 322 0.840 44.699 28.892 60.648 -99.200 -91.000 TYR 323 0.840 50.601 30.022 51.452 -99.200 -91.000 PHE 328 1.000 42.433 33.733 63.251 -99.200 -91.000 TRP 338 1.040 57.484 42.459 52.116 -99.200 -91.000 TRP6 338 1.020 58.825 44.206 52.954 -99.200 -91.000 PHE 343 1.000 60.477 36.546 63.137 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1noyB1 ASP 2 HA 0.03 -0.16 0.18 -0.75 4.63 3.93 1noyB1 ASP 2 HB2 0.06 0.05 0.16 -0.04 2.71 2.93 1noyB1 ASP 2 HB3 0.05 -0.06 0.10 -0.04 2.70 2.74 1noyB1 GLU 3 H 0.07 0.14 0.06 -0.55 8.60 8.33 1noyB1 GLU 3 HA 0.13 0.11 0.50 -0.75 4.29 4.28 1noyB1 GLU 3 HB2 0.09 -0.28 -0.09 -0.04 2.09 1.76 1noyB1 GLU 3 HB3 0.14 0.37 0.32 -0.04 1.99 2.78 1noyB1 GLU 3 HG2 0.02 0.03 0.01 -0.04 2.34 2.36 1noyB1 GLU 3 HG3 0.28 0.05 -0.21 -0.04 2.34 2.42 1noyB1 PHE 4 H -0.06 0.13 0.22 -0.55 8.34 8.08 1noyB1 PHE 4 HA -0.15 0.12 0.48 -0.75 4.62 4.32 1noyB1 PHE 4 HB2 -0.61 -0.03 0.03 -0.04 3.15 2.50 1noyB1 PHE 4 HB3 -0.21 0.29 -0.12 -0.04 3.06 2.98 1noyB1 PHE 4 HD2 -0.07 0.22 -0.28 -0.04 7.28 7.11 1noyB1 PHE 4 HE2 0.08 -0.01 -0.10 -0.04 7.38 7.31 1noyB1 PHE 4 HZ 0.23 0.05 -0.07 -0.04 7.32 7.49 1noyB1 TYR 5 H -0.12 0.17 0.08 -0.55 8.29 7.86 1noyB1 TYR 5 HA 0.15 0.13 0.71 -0.75 4.56 4.80 1noyB1 TYR 5 HB2 0.05 -0.05 0.01 -0.04 3.06 3.03 1noyB1 TYR 5 HB3 0.09 0.04 0.00 -0.04 2.98 3.07 1noyB1 TYR 5 HD2 -0.55 -0.04 -0.19 -0.04 7.15 6.33 1noyB1 TYR 5 HE2 -0.18 0.05 -0.18 -0.04 6.85 6.49 1noyB1 ILE 6 H 0.22 0.32 0.40 -0.55 8.25 8.64 1noyB1 ILE 6 HA 0.32 0.12 0.75 -0.75 4.18 4.61 1noyB1 ILE 6 HB 0.13 0.03 -0.03 -0.04 1.89 1.98 1noyB1 ILE 6 HG12 0.04 -0.01 -0.39 -0.04 1.49 1.08 1noyB1 ILE 6 HG13 0.05 0.02 -0.18 -0.04 1.21 1.07 1noyB1 ILE 6 HG23 0.29 -0.01 0.06 -0.04 0.93 1.23 1noyB1 ILE 6 HD13 0.28 0.06 -0.15 -0.04 0.88 1.03 1noyB1 SER 7 H 0.14 0.36 0.40 -0.55 8.46 8.81 1noyB1 SER 7 HA -0.01 0.09 0.74 -0.75 4.49 4.55 1noyB1 SER 7 HB2 0.08 0.26 -0.01 -0.04 3.95 4.24 1noyB1 SER 7 HB3 0.06 -0.13 0.15 -0.04 3.93 3.97 1noyB1 ILE 8 H -0.04 0.17 0.08 -0.55 8.25 7.91 1noyB1 ILE 8 HA -0.10 0.26 1.02 -0.75 4.18 4.61 1noyB1 ILE 8 HB -0.11 -0.08 0.12 -0.04 1.89 1.78 1noyB1 ILE 8 HG12 -0.02 -0.18 -0.52 -0.04 1.49 0.72 1noyB1 ILE 8 HG13 -0.29 0.06 -0.16 -0.04 1.21 0.77 1noyB1 ILE 8 HG23 -0.20 0.02 -0.12 -0.04 0.93 0.59 1noyB1 ILE 8 HD13 0.03 0.04 -0.07 -0.04 0.88 0.84 1noyB1 GLU 9 H -0.12 0.87 0.32 -0.55 8.60 9.13 1noyB1 GLU 9 HA -0.09 0.17 1.02 -0.75 4.29 4.63 1noyB1 GLU 9 HB2 -0.06 0.00 0.01 -0.04 2.09 2.00 1noyB1 GLU 9 HB3 -0.06 -0.01 -0.01 -0.04 1.99 1.87 1noyB1 GLU 9 HG2 -0.02 0.01 -0.20 -0.04 2.34 2.09 1noyB1 GLU 9 HG3 -0.01 0.02 -0.17 -0.04 2.34 2.14 1noyB1 THR 10 H -0.12 0.17 0.10 -0.55 8.28 7.88 1noyB1 THR 10 HA -0.25 0.42 1.15 -0.75 4.39 4.95 1noyB1 THR 10 HB -0.37 0.07 -0.02 -0.04 4.32 3.97 1noyB1 THR 10 HG23 -0.59 0.01 -0.18 -0.04 1.22 0.41 1noyB1 VAL 11 H -0.12 0.35 0.06 -0.55 8.24 7.98 1noyB1 VAL 11 HA -0.07 0.14 0.86 -0.75 4.13 4.31 1noyB1 VAL 11 HB -0.05 0.03 -0.02 -0.04 2.12 2.05 1noyB1 VAL 11 HG13 -0.05 -0.01 -0.03 -0.04 0.97 0.83 1noyB1 VAL 11 HG23 -0.03 0.00 -0.09 -0.04 0.95 0.79 1noyB1 GLY 12 H -0.05 0.18 0.10 -0.55 8.43 8.11 1noyB1 GLY 12 HA2 -0.03 0.05 0.34 -0.51 4.01 3.87 1noyB1 GLY 12 HA3 -0.03 0.04 0.53 -0.51 4.01 4.04 1noyB1 ASN 13 H -0.00 0.16 0.14 -0.55 8.53 8.28 1noyB1 ASN 13 HA 0.01 0.17 0.73 -0.75 4.76 4.92 1noyB1 ASN 13 HB2 0.09 -0.00 0.15 -0.04 2.88 3.08 1noyB1 ASN 13 HB3 0.15 0.04 0.14 -0.04 2.79 3.07 1noyB1 ASN 13 HD21 0.01 -0.01 -0.10 -0.04 7.03 6.90 1noyB1 ASN 13 HD22 0.05 0.05 -0.08 -0.04 7.74 7.72 1noyB1 ASN 14 H -0.08 0.42 -0.18 -0.55 8.53 8.15 1noyB1 ASN 14 HA 0.04 0.23 1.04 -0.75 4.76 5.32 1noyB1 ASN 14 HB2 -0.04 0.02 0.00 -0.04 2.88 2.83 1noyB1 ASN 14 HB3 0.00 -0.04 -0.09 -0.04 2.79 2.62 1noyB1 ASN 14 HD21 -0.00 -0.06 0.01 -0.04 7.03 6.94 1noyB1 ASN 14 HD22 -0.02 0.43 0.10 -0.04 7.74 8.20 1noyB1 ILE 15 H -0.02 0.78 0.38 -0.55 8.25 8.84 1noyB1 ILE 15 HA -0.27 0.32 1.07 -0.75 4.18 4.54 1noyB1 ILE 15 HB -0.18 0.00 0.24 -0.04 1.89 1.91 1noyB1 ILE 15 HG12 -0.11 -0.04 -0.25 -0.04 1.49 1.06 1noyB1 ILE 15 HG13 -0.02 -0.01 -0.07 -0.04 1.21 1.07 1noyB1 ILE 15 HG23 -1.38 -0.00 -0.18 -0.04 0.93 -0.66 1noyB1 ILE 15 HD13 -0.36 0.02 -0.16 -0.04 0.88 0.33 1noyB1 VAL 16 H -0.15 0.48 0.17 -0.55 8.24 8.20 1noyB1 VAL 16 HA -0.04 0.07 0.83 -0.75 4.13 4.23 1noyB1 VAL 16 HB -0.05 -0.07 0.08 -0.04 2.12 2.03 1noyB1 VAL 16 HG13 -0.00 0.01 -0.13 -0.04 0.97 0.80 1noyB1 VAL 16 HG23 -0.04 0.00 -0.10 -0.04 0.95 0.77 1noyB1 GLU 17 H 0.02 0.31 0.05 -0.55 8.60 8.43 1noyB1 GLU 17 HA 0.01 0.25 1.08 -0.75 4.29 4.88 1noyB1 GLU 17 HB2 -0.14 -0.03 -0.07 -0.04 2.09 1.81 1noyB1 GLU 17 HB3 0.10 0.10 0.13 -0.04 1.99 2.27 1noyB1 GLU 17 HG2 0.28 0.04 -0.53 -0.04 2.34 2.08 1noyB1 GLU 17 HG3 0.21 0.01 0.01 -0.04 2.34 2.53 1noyB1 ARG 18 H 0.09 0.32 0.29 -0.55 8.46 8.61 1noyB1 ARG 18 HA 0.04 0.27 0.90 -0.75 4.34 4.80 1noyB1 ARG 18 HB2 0.08 -0.14 0.24 -0.04 1.90 2.03 1noyB1 ARG 18 HB3 0.03 0.09 0.11 -0.04 1.80 1.99 1noyB1 ARG 18 HG2 0.02 0.06 0.01 -0.04 1.67 1.72 1noyB1 ARG 18 HG3 0.04 -0.12 -0.04 -0.04 1.67 1.51 1noyB1 ARG 18 HD2 0.04 -0.03 0.00 -0.04 3.22 3.19 1noyB1 ARG 18 HD3 0.05 0.09 0.08 -0.04 3.22 3.40 1noyB1 TYR 19 H -0.18 0.51 0.32 -0.55 8.29 8.39 1noyB1 TYR 19 HA -0.02 0.16 0.81 -0.75 4.56 4.76 1noyB1 TYR 19 HB2 0.07 0.03 -0.07 -0.04 3.06 3.05 1noyB1 TYR 19 HB3 0.15 0.00 -0.37 -0.04 2.98 2.73 1noyB1 TYR 19 HD2 0.03 0.05 -0.33 -0.04 7.15 6.85 1noyB1 TYR 19 HE2 0.02 -0.05 -0.23 -0.04 6.85 6.55 1noyB1 ILE 20 H -0.10 0.38 0.17 -0.55 8.25 8.15 1noyB1 ILE 20 HA -0.26 0.32 0.78 -0.75 4.18 4.27 1noyB1 ILE 20 HB -1.36 -0.03 0.12 -0.04 1.89 0.58 1noyB1 ILE 20 HG12 -0.50 -0.03 -0.35 -0.04 1.49 0.57 1noyB1 ILE 20 HG13 -0.44 -0.01 -0.21 -0.04 1.21 0.51 1noyB1 ILE 20 HG23 -0.32 -0.00 -0.34 -0.04 0.93 0.23 1noyB1 ILE 20 HD13 -0.09 0.07 -0.18 -0.04 0.88 0.64 1noyB1 ASP 21 H -0.10 0.41 0.08 -0.55 8.40 8.25 1noyB1 ASP 21 HA 0.14 0.12 0.70 -0.75 4.63 4.83 1noyB1 ASP 21 HB2 0.36 0.04 0.03 -0.04 2.71 3.10 1noyB1 ASP 21 HB3 0.09 -0.04 -0.05 -0.04 2.70 2.66 1noyB1 GLU 22 H 0.04 0.20 0.09 -0.55 8.60 8.39 1noyB1 GLU 22 HA -0.01 0.09 0.39 -0.75 4.29 4.00 1noyB1 GLU 22 HB2 0.02 0.06 0.11 -0.04 2.09 2.24 1noyB1 GLU 22 HB3 0.01 -0.07 0.05 -0.04 1.99 1.94 1noyB1 GLU 22 HG2 -0.00 0.02 -0.26 -0.04 2.34 2.06 1noyB1 GLU 22 HG3 0.01 0.04 0.02 -0.04 2.34 2.38 1noyB1 ASN 23 H -0.02 0.04 -0.21 -0.55 8.53 7.79 1noyB1 ASN 23 HA -0.03 0.12 0.60 -0.75 4.76 4.69 1noyB1 ASN 23 HB2 -0.01 -0.03 0.12 -0.04 2.88 2.92 1noyB1 ASN 23 HB3 -0.00 0.02 0.25 -0.04 2.79 3.01 1noyB1 ASN 23 HD21 0.02 -0.02 0.01 -0.04 7.03 7.00 1noyB1 ASN 23 HD22 0.02 0.01 0.05 -0.04 7.74 7.78 1noyB1 GLY 24 H -0.24 0.37 -0.58 -0.55 8.43 7.43 1noyB1 GLY 24 HA2 -0.82 -0.00 0.15 -0.51 4.01 2.83 1noyB1 GLY 24 HA3 -0.59 -0.03 0.26 -0.51 4.01 3.14 1noyB1 LYS 25 H -0.10 0.11 -0.55 -0.55 8.42 7.33 1noyB1 LYS 25 HA 0.01 0.17 1.04 -0.75 4.32 4.79 1noyB1 LYS 25 HB2 -0.04 -0.11 0.04 -0.04 1.87 1.72 1noyB1 LYS 25 HB3 -0.03 0.05 0.06 -0.04 1.79 1.83 1noyB1 LYS 25 HG2 0.03 -0.02 0.01 -0.04 1.46 1.44 1noyB1 LYS 25 HG3 0.02 0.40 -0.02 -0.04 1.46 1.82 1noyB1 LYS 25 HD2 0.00 -0.07 0.04 -0.04 1.69 1.62 1noyB1 LYS 25 HD3 0.00 -0.03 0.03 -0.04 1.68 1.64 1noyB1 LYS 25 HE2 0.03 -0.01 0.02 -0.04 2.99 2.98 1noyB1 LYS 25 HE3 0.03 0.06 0.02 -0.04 2.99 3.06 1noyB1 GLU 26 H -0.03 0.13 0.23 -0.55 8.60 8.38 1noyB1 GLU 26 HA -0.19 0.29 0.79 -0.75 4.29 4.43 1noyB1 GLU 26 HB2 -0.03 0.02 0.18 -0.04 2.09 2.23 1noyB1 GLU 26 HB3 -0.05 -0.04 0.16 -0.04 1.99 2.02 1noyB1 GLU 26 HG2 -0.10 0.03 0.04 -0.04 2.34 2.27 1noyB1 GLU 26 HG3 -0.08 0.04 0.10 -0.04 2.34 2.36 1noyB1 ARG 27 H -0.45 0.54 0.43 -0.55 8.46 8.42 1noyB1 ARG 27 HA -0.18 0.15 0.69 -0.75 4.34 4.25 1noyB1 ARG 27 HB2 -0.42 0.02 -0.21 -0.04 1.90 1.25 1noyB1 ARG 27 HB3 -0.87 -0.03 -0.06 -0.04 1.80 0.80 1noyB1 ARG 27 HG2 -0.09 -0.06 0.19 -0.04 1.67 1.67 1noyB1 ARG 27 HG3 -0.09 0.05 0.05 -0.04 1.67 1.63 1noyB1 ARG 27 HD2 0.09 -0.04 -0.04 -0.04 3.22 3.18 1noyB1 ARG 27 HD3 0.08 0.07 0.02 -0.04 3.22 3.35 1noyB1 THR 28 H -0.08 0.26 0.19 -0.55 8.28 8.10 1noyB1 THR 28 HA 0.07 0.32 0.90 -0.75 4.39 4.93 1noyB1 THR 28 HB 0.01 -0.02 0.04 -0.04 4.32 4.30 1noyB1 THR 28 HG23 0.04 -0.01 -0.18 -0.04 1.22 1.03 1noyB1 ARG 29 H 0.23 0.53 0.18 -0.55 8.46 8.84 1noyB1 ARG 29 HA 0.12 0.11 0.81 -0.75 4.34 4.62 1noyB1 ARG 29 HB2 0.10 0.05 0.06 -0.04 1.90 2.07 1noyB1 ARG 29 HB3 0.28 0.00 -0.09 -0.04 1.80 1.95 1noyB1 ARG 29 HG2 0.17 0.00 0.02 -0.04 1.67 1.83 1noyB1 ARG 29 HG3 0.10 0.01 0.09 -0.04 1.67 1.83 1noyB1 ARG 29 HD2 -0.04 0.02 -0.05 -0.04 3.22 3.10 1noyB1 ARG 29 HD3 -0.16 -0.02 -0.06 -0.04 3.22 2.94 1noyB1 GLU 30 H 0.05 0.13 0.11 -0.55 8.60 8.35 1noyB1 GLU 30 HA 0.01 0.39 1.01 -0.75 4.29 4.94 1noyB1 GLU 30 HB2 0.01 -0.01 -0.03 -0.04 2.09 2.01 1noyB1 GLU 30 HB3 0.01 -0.04 0.07 -0.04 1.99 1.98 1noyB1 GLU 30 HG2 0.03 -0.04 0.16 -0.04 2.34 2.45 1noyB1 GLU 30 HG3 0.03 0.00 -0.03 -0.04 2.34 2.30 1noyB1 VAL 31 H 0.02 0.46 0.33 -0.55 8.24 8.50 1noyB1 VAL 31 HA 0.08 0.15 0.77 -0.75 4.13 4.38 1noyB1 VAL 31 HB 0.26 -0.03 -0.01 -0.04 2.12 2.30 1noyB1 VAL 31 HG13 0.17 0.02 -0.19 -0.04 0.97 0.93 1noyB1 VAL 31 HG23 0.14 0.06 -0.32 -0.04 0.95 0.79 1noyB1 GLU 32 H 0.10 0.21 0.08 -0.55 8.60 8.44 1noyB1 GLU 32 HA 0.13 0.22 0.87 -0.75 4.29 4.76 1noyB1 GLU 32 HB2 0.06 -0.06 0.10 -0.04 2.09 2.15 1noyB1 GLU 32 HB3 0.07 -0.02 0.22 -0.04 1.99 2.23 1noyB1 GLU 32 HG2 0.05 -0.05 0.00 -0.04 2.34 2.31 1noyB1 GLU 32 HG3 0.11 0.24 0.04 -0.04 2.34 2.68 1noyB1 TYR 33 H 0.41 0.23 0.09 -0.55 8.29 8.47 1noyB1 TYR 33 HA 0.14 0.12 0.79 -0.75 4.56 4.85 1noyB1 TYR 33 HB2 0.35 -0.00 -0.09 -0.04 3.06 3.28 1noyB1 TYR 33 HB3 0.47 -0.00 -0.00 -0.04 2.98 3.40 1noyB1 TYR 33 HD2 0.21 -0.02 -0.18 -0.04 7.15 7.12 1noyB1 TYR 33 HE2 -0.10 0.00 -0.12 -0.04 6.85 6.59 1noyB1 LEU 34 H -0.49 0.20 0.08 -0.55 8.37 7.61 1noyB1 LEU 34 HA -0.29 0.19 0.81 -0.75 4.35 4.30 1noyB1 LEU 34 HB2 -0.18 0.03 0.03 -0.04 1.64 1.48 1noyB1 LEU 34 HB3 -0.13 -0.00 -0.03 -0.04 1.64 1.43 1noyB1 LEU 34 HG -0.19 -0.02 0.10 -0.04 1.64 1.49 1noyB1 LEU 34 HD13 -0.14 -0.01 -0.14 -0.04 0.93 0.60 1noyB1 LEU 34 HD23 -0.08 -0.01 0.02 -0.04 0.89 0.78 1noyB1 PRO 35 HA -0.13 0.03 0.49 -0.51 4.44 4.31 1noyB1 PRO 35 HB2 0.19 0.24 -0.09 -0.04 2.28 2.58 1noyB1 PRO 35 HB3 0.06 -0.00 0.03 -0.04 2.02 2.07 1noyB1 PRO 35 HG2 0.13 0.02 -0.02 -0.04 2.03 2.12 1noyB1 PRO 35 HG3 -0.03 -0.00 -0.01 -0.04 2.03 1.95 1noyB1 PRO 35 HD2 -0.23 0.07 0.18 -0.04 3.68 3.65 1noyB1 PRO 35 HD3 -0.63 0.16 -0.02 -0.04 3.65 3.12 1noyB1 THR 36 H 0.13 0.12 0.15 -0.55 8.28 8.13 1noyB1 THR 36 HA 0.07 0.08 0.56 -0.75 4.39 4.35 1noyB1 THR 36 HB 0.05 -0.05 0.18 -0.04 4.32 4.46 1noyB1 THR 36 HG23 -0.01 0.01 -0.15 -0.04 1.22 1.02 1noyB1 MET 37 H 0.03 0.07 0.10 -0.55 8.47 8.11 1noyB1 MET 37 HA -0.25 0.09 0.78 -0.75 4.52 4.38 1noyB1 MET 37 HB2 -0.48 -0.04 0.04 -0.04 2.15 1.63 1noyB1 MET 37 HB3 -0.56 0.05 0.14 -0.04 2.03 1.62 1noyB1 MET 37 HG2 -0.29 0.12 -0.02 -0.04 2.63 2.41 1noyB1 MET 37 HG3 -0.17 -0.17 -0.09 -0.04 2.56 2.10 1noyB1 MET 37 HE3 -0.61 0.05 0.03 -0.04 2.10 1.52 1noyB1 PHE 38 H -0.40 0.47 0.19 -0.55 8.34 8.04 1noyB1 PHE 38 HA 0.07 0.12 0.43 -0.75 4.62 4.47 1noyB1 PHE 38 HB2 -0.72 -0.00 -0.04 -0.04 3.15 2.34 1noyB1 PHE 38 HB3 -0.66 0.15 -0.48 -0.04 3.06 2.02 1noyB1 PHE 38 HD2 -1.09 0.05 -0.34 -0.04 7.28 5.85 1noyB1 PHE 38 HE2 -0.53 -0.00 -0.19 -0.04 7.38 6.62 1noyB1 PHE 38 HZ -0.32 -0.00 -0.10 -0.04 7.32 6.86 1noyB1 ARG 39 H 0.10 0.30 -0.01 -0.55 8.46 8.30 1noyB1 ARG 39 HA -0.45 0.21 0.91 -0.75 4.34 4.26 1noyB1 ARG 39 HB2 0.11 0.03 -0.03 -0.04 1.90 1.96 1noyB1 ARG 39 HB3 -0.08 -0.11 -0.10 -0.04 1.80 1.47 1noyB1 ARG 39 HG2 -0.11 -0.03 -0.15 -0.04 1.67 1.34 1noyB1 ARG 39 HG3 -0.21 0.12 -0.33 -0.04 1.67 1.20 1noyB1 ARG 39 HD2 -0.13 0.03 -0.18 -0.04 3.22 2.90 1noyB1 ARG 39 HD3 0.36 -0.08 -0.21 -0.04 3.22 3.25 1noyB1 HIS 40 H -0.35 0.24 0.04 -0.55 8.41 7.80 1noyB1 HIS 40 HA 0.20 0.11 0.26 -0.75 4.63 4.45 1noyB1 HIS 40 HB2 0.06 0.04 0.04 -0.04 3.26 3.36 1noyB1 HIS 40 HB3 -0.15 0.02 0.09 -0.04 3.20 3.12 1noyB1 HIS 40 HD2 -0.25 0.15 0.09 -0.04 6.97 6.91 1noyB1 HIS 40 HE1 -0.02 0.04 0.00 -0.04 7.75 7.73 1noyB1 CYS 41 H -1.01 0.06 -0.25 -0.55 8.50 6.75 1noyB1 CYS 41 HA -0.06 0.06 0.20 -0.75 4.58 4.03 1noyB1 CYS 41 HB2 -0.11 0.05 0.01 -0.04 2.97 2.88 1noyB1 CYS 41 HB3 -0.43 -0.02 0.00 -0.04 2.97 2.48 1noyB1 LYS 42 H 0.02 0.45 -0.64 -0.55 8.42 7.69 1noyB1 LYS 42 HA 0.06 0.17 0.79 -0.75 4.32 4.58 1noyB1 LYS 42 HB2 0.15 0.04 0.06 -0.04 1.87 2.08 1noyB1 LYS 42 HB3 0.11 0.00 0.17 -0.04 1.79 2.03 1noyB1 LYS 42 HG2 0.02 0.05 -0.09 -0.04 1.46 1.40 1noyB1 LYS 42 HG3 0.00 -0.11 -0.13 -0.04 1.46 1.18 1noyB1 LYS 42 HD2 0.05 -0.04 -0.01 -0.04 1.69 1.65 1noyB1 LYS 42 HD3 0.04 0.05 0.02 -0.04 1.68 1.75 1noyB1 LYS 42 HE2 -0.01 -0.00 -0.05 -0.04 2.99 2.89 1noyB1 LYS 42 HE3 0.02 0.01 -0.06 -0.04 2.99 2.92 1noyB1 GLU 43 H 0.12 0.16 -0.49 -0.55 8.60 7.84 1noyB1 GLU 43 HA 0.21 0.16 0.28 -0.75 4.29 4.18 1noyB1 GLU 43 HB2 0.15 0.03 0.08 -0.04 2.09 2.31 1noyB1 GLU 43 HB3 0.20 0.17 0.11 -0.04 1.99 2.42 1noyB1 GLU 43 HG2 0.07 -0.03 0.03 -0.04 2.34 2.38 1noyB1 GLU 43 HG3 0.10 -0.05 0.02 -0.04 2.34 2.37 1noyB1 GLY 52 HA2 -0.08 -0.04 0.15 -0.51 4.01 3.53 1noyB1 GLY 52 HA3 -0.03 -0.09 0.22 -0.51 4.01 3.59 1noyB1 LYS 53 H 0.13 0.14 0.13 -0.55 8.42 8.28 1noyB1 LYS 53 HA 0.18 0.16 0.93 -0.75 4.32 4.84 1noyB1 LYS 53 HB2 0.08 -0.02 0.04 -0.04 1.87 1.93 1noyB1 LYS 53 HB3 0.07 0.05 0.00 -0.04 1.79 1.87 1noyB1 LYS 53 HG2 0.05 -0.06 -0.11 -0.04 1.46 1.30 1noyB1 LYS 53 HG3 0.05 -0.01 -0.05 -0.04 1.46 1.41 1noyB1 LYS 53 HD2 0.07 -0.01 -0.03 -0.04 1.69 1.67 1noyB1 LYS 53 HD3 0.10 0.29 -0.41 -0.04 1.68 1.63 1noyB1 LYS 53 HE2 0.03 -0.05 -0.12 -0.04 2.99 2.81 1noyB1 LYS 53 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.89 1noyB1 ASN 54 H 0.10 0.19 0.06 -0.55 8.53 8.34 1noyB1 ASN 54 HA 0.02 0.13 0.67 -0.75 4.76 4.82 1noyB1 ASN 54 HB2 -0.02 0.04 -0.30 -0.04 2.88 2.55 1noyB1 ASN 54 HB3 -0.27 0.01 0.04 -0.04 2.79 2.53 1noyB1 ASN 54 HD21 -0.01 -0.01 0.00 -0.04 7.03 6.97 1noyB1 ASN 54 HD22 0.12 0.05 -0.02 -0.04 7.74 7.85 1noyB1 CYS 55 H -0.15 0.37 0.17 -0.55 8.50 8.34 1noyB1 CYS 55 HA -0.05 0.06 0.38 -0.75 4.58 4.21 1noyB1 CYS 55 HB2 -0.01 -0.03 0.16 -0.04 2.97 3.05 1noyB1 CYS 55 HB3 -0.15 0.24 0.01 -0.04 2.97 3.02 1noyB1 ALA 56 H -0.03 0.08 0.12 -0.55 8.40 8.03 1noyB1 ALA 56 HA -0.15 0.18 0.51 -0.75 4.34 4.13 1noyB1 ALA 56 HB3 -0.09 0.01 0.07 -0.04 1.41 1.36 1noyB1 PRO 57 HA -0.39 0.13 0.81 -0.51 4.44 4.47 1noyB1 PRO 57 HB2 -0.58 0.09 0.10 -0.04 2.28 1.84 1noyB1 PRO 57 HB3 -0.53 -0.05 0.05 -0.04 2.02 1.46 1noyB1 PRO 57 HG2 -0.27 -0.02 0.17 -0.04 2.03 1.87 1noyB1 PRO 57 HG3 -0.29 0.22 0.09 -0.04 2.03 2.00 1noyB1 PRO 57 HD2 -0.18 0.02 0.21 -0.04 3.68 3.69 1noyB1 PRO 57 HD3 -0.19 0.15 0.10 -0.04 3.65 3.66 1noyB1 GLN 58 H -0.72 0.38 0.35 -0.55 8.47 7.94 1noyB1 GLN 58 HA -0.29 0.12 0.67 -0.75 4.36 4.10 1noyB1 GLN 58 HB2 -1.17 -0.03 -0.00 -0.04 2.15 0.91 1noyB1 GLN 58 HB3 -0.23 -0.04 0.06 -0.04 2.02 1.77 1noyB1 GLN 58 HG2 -0.22 -0.01 0.01 -0.04 2.40 2.14 1noyB1 GLN 58 HG3 -0.29 0.06 -0.04 -0.04 2.39 2.07 1noyB1 GLN 58 HE21 -0.12 -0.09 0.02 -0.04 6.97 6.73 1noyB1 GLN 58 HE22 -0.11 0.04 -0.02 -0.04 7.69 7.56 1noyB1 LYS 59 H -0.19 0.18 0.07 -0.55 8.42 7.93 1noyB1 LYS 59 HA -0.23 0.16 0.82 -0.75 4.32 4.31 1noyB1 LYS 59 HB2 -0.09 0.06 -0.12 -0.04 1.87 1.68 1noyB1 LYS 59 HB3 -0.15 0.11 -0.19 -0.04 1.79 1.52 1noyB1 LYS 59 HG2 -0.11 -0.11 0.11 -0.04 1.46 1.31 1noyB1 LYS 59 HG3 -0.08 -0.01 -0.04 -0.04 1.46 1.30 1noyB1 LYS 59 HD2 -0.15 0.11 -0.14 -0.04 1.69 1.47 1noyB1 LYS 59 HD3 -0.10 -0.05 -0.02 -0.04 1.68 1.47 1noyB1 LYS 59 HE2 -0.07 -0.05 -0.03 -0.04 2.99 2.79 1noyB1 LYS 59 HE3 -0.09 0.05 -0.07 -0.04 2.99 2.84 1noyB1 PHE 60 H -0.14 0.63 0.14 -0.55 8.34 8.42 1noyB1 PHE 60 HA -0.07 0.03 0.59 -0.75 4.62 4.42 1noyB1 PHE 60 HB2 -0.09 0.25 0.18 -0.04 3.15 3.45 1noyB1 PHE 60 HB3 -0.09 -0.10 -0.04 -0.04 3.06 2.79 1noyB1 PHE 60 HD2 -0.16 0.13 -0.14 -0.04 7.28 7.06 1noyB1 PHE 60 HE2 -0.59 -0.00 -0.19 -0.04 7.38 6.56 1noyB1 PHE 60 HZ -2.39 -0.02 -0.13 -0.04 7.32 4.73 1noyB1 PRO 61 HA 0.02 0.13 0.48 -0.51 4.44 4.56 1noyB1 PRO 61 HB2 0.01 -0.01 0.03 -0.04 2.28 2.26 1noyB1 PRO 61 HB3 0.01 0.06 0.11 -0.04 2.02 2.17 1noyB1 PRO 61 HG2 0.03 -0.13 0.14 -0.04 2.03 2.03 1noyB1 PRO 61 HG3 0.03 0.04 0.10 -0.04 2.03 2.17 1noyB1 PRO 61 HD2 0.17 0.02 0.29 -0.04 3.68 4.12 1noyB1 PRO 61 HD3 0.06 0.31 0.29 -0.04 3.65 4.26 1noyB1 SER 62 H 0.04 0.13 -0.04 -0.55 8.46 8.04 1noyB1 SER 62 HA -0.01 0.30 0.88 -0.75 4.49 4.91 1noyB1 SER 62 HB2 -0.03 -0.04 0.08 -0.04 3.95 3.92 1noyB1 SER 62 HB3 -0.01 0.16 -0.07 -0.04 3.93 3.96 1noyB1 MET 63 H -0.04 0.26 0.13 -0.55 8.47 8.27 1noyB1 MET 63 HA -0.10 0.18 0.29 -0.75 4.52 4.14 1noyB1 MET 63 HB2 -0.06 -0.01 0.02 -0.04 2.15 2.07 1noyB1 MET 63 HB3 -0.08 0.06 0.12 -0.04 2.03 2.08 1noyB1 MET 63 HG2 -0.05 0.10 0.01 -0.04 2.63 2.65 1noyB1 MET 63 HG3 -0.04 -0.05 0.11 -0.04 2.56 2.54 1noyB1 MET 63 HE3 -0.04 -0.01 0.01 -0.04 2.10 2.02 1noyB1 LYS 64 H -0.07 -0.04 -0.76 -0.55 8.42 7.00 1noyB1 LYS 64 HA -0.08 0.15 0.50 -0.75 4.32 4.14 1noyB1 LYS 64 HB2 -0.05 0.05 0.04 -0.04 1.87 1.87 1noyB1 LYS 64 HB3 -0.05 -0.06 0.07 -0.04 1.79 1.70 1noyB1 LYS 64 HG2 -0.03 0.02 -0.04 -0.04 1.46 1.36 1noyB1 LYS 64 HG3 -0.05 0.04 -0.32 -0.04 1.46 1.08 1noyB1 LYS 64 HD2 -0.05 -0.00 -0.00 -0.04 1.69 1.59 1noyB1 LYS 64 HD3 -0.03 0.01 -0.02 -0.04 1.68 1.60 1noyB1 LYS 64 HE2 -0.04 0.00 -0.11 -0.04 2.99 2.81 1noyB1 LYS 64 HE3 -0.03 0.02 -0.04 -0.04 2.99 2.90 1noyB1 ASP 65 H -0.10 0.14 0.01 -0.55 8.40 7.91 1noyB1 ASP 65 HA -0.13 0.10 0.41 -0.75 4.63 4.26 1noyB1 ASP 65 HB2 -0.05 0.07 0.01 -0.04 2.71 2.71 1noyB1 ASP 65 HB3 -0.03 0.02 0.09 -0.04 2.70 2.74 1noyB1 ALA 66 H -0.39 0.19 -0.51 -0.55 8.40 7.15 1noyB1 ALA 66 HA -2.32 0.12 0.47 -0.75 4.34 1.85 1noyB1 ALA 66 HB3 -0.34 0.06 0.01 -0.04 1.41 1.09 1noyB1 ARG 67 H -0.23 0.42 -0.13 -0.55 8.46 7.98 1noyB1 ARG 67 HA -0.11 0.02 0.45 -0.75 4.34 3.95 1noyB1 ARG 67 HB2 -0.10 0.12 0.22 -0.04 1.90 2.10 1noyB1 ARG 67 HB3 -0.10 0.07 0.19 -0.04 1.80 1.92 1noyB1 ARG 67 HG2 -0.06 -0.00 -0.09 -0.04 1.67 1.48 1noyB1 ARG 67 HG3 -0.06 -0.02 0.09 -0.04 1.67 1.63 1noyB1 ARG 67 HD2 -0.05 -0.03 0.00 -0.04 3.22 3.10 1noyB1 ARG 67 HD3 -0.04 -0.03 -0.00 -0.04 3.22 3.11 1noyB1 ASP 68 H -0.16 0.37 -0.30 -0.55 8.40 7.77 1noyB1 ASP 68 HA -0.06 0.02 0.39 -0.75 4.63 4.24 1noyB1 ASP 68 HB2 -0.09 0.07 0.03 -0.04 2.71 2.67 1noyB1 ASP 68 HB3 -0.03 -0.04 0.05 -0.04 2.70 2.64 1noyB1 TRP 69 H -0.10 0.26 -0.97 -0.55 7.97 6.62 1noyB1 TRP 69 HA -0.12 0.11 0.84 -0.75 4.62 4.70 1noyB1 TRP 69 HB2 -0.36 0.05 0.01 -0.04 3.23 2.90 1noyB1 TRP 69 HB3 -0.48 0.15 0.07 -0.04 3.23 2.93 1noyB1 TRP 69 HD1 -0.05 0.01 -0.01 -0.04 7.22 7.12 1noyB1 TRP 69 HE1 0.13 0.01 -0.05 -0.04 10.20 10.25 1noyB1 TRP 69 HE3 0.03 0.12 -0.24 -0.04 7.59 7.45 1noyB1 TRP 69 HZ2 0.33 0.07 -0.17 -0.04 7.44 7.63 1noyB1 TRP 69 HZ3 0.16 0.02 -0.13 -0.04 7.13 7.13 1noyB1 TRP 69 HH2 0.26 0.01 -0.14 -0.04 7.19 7.28 1noyB1 MET 70 H -0.06 0.23 0.01 -0.55 8.47 8.11 1noyB1 MET 70 HA -0.14 -0.02 0.40 -0.75 4.52 3.99 1noyB1 MET 70 HB2 -0.06 0.13 0.21 -0.04 2.15 2.39 1noyB1 MET 70 HB3 -0.05 -0.03 -0.02 -0.04 2.03 1.90 1noyB1 MET 70 HG2 -0.02 0.05 0.04 -0.04 2.63 2.66 1noyB1 MET 70 HG3 -0.01 0.00 0.06 -0.04 2.56 2.57 1noyB1 MET 70 HE3 0.16 0.01 0.04 -0.04 2.10 2.27 1noyB1 LYS 71 H -0.15 0.12 0.13 -0.55 8.42 7.96 1noyB1 LYS 71 HA -0.10 -0.02 0.37 -0.75 4.32 3.82 1noyB1 LYS 71 HB2 -0.07 -0.06 -0.14 -0.04 1.87 1.56 1noyB1 LYS 71 HB3 -0.12 0.27 0.25 -0.04 1.79 2.14 1noyB1 LYS 71 HG2 -0.08 -0.01 0.09 -0.04 1.46 1.42 1noyB1 LYS 71 HG3 -0.05 -0.05 0.03 -0.04 1.46 1.34 1noyB1 LYS 71 HD2 -0.05 -0.06 -0.03 -0.04 1.69 1.52 1noyB1 LYS 71 HD3 -0.06 0.01 -0.04 -0.04 1.68 1.55 1noyB1 LYS 71 HE2 -0.12 0.12 -0.27 -0.04 2.99 2.68 1noyB1 LYS 71 HE3 -0.08 -0.03 -0.14 -0.04 2.99 2.69 1noyB1 ARG 72 H -0.50 0.50 -0.78 -0.55 8.46 7.14 1noyB1 ARG 72 HA -0.28 0.16 0.73 -0.75 4.34 4.20 1noyB1 ARG 72 HB2 -0.18 -0.06 0.05 -0.04 1.90 1.66 1noyB1 ARG 72 HB3 -0.17 -0.02 -0.15 -0.04 1.80 1.41 1noyB1 ARG 72 HG2 -0.26 0.18 -0.09 -0.04 1.67 1.47 1noyB1 ARG 72 HG3 -0.40 0.04 0.04 -0.04 1.67 1.31 1noyB1 ARG 72 HD2 -0.09 -0.04 -0.02 -0.04 3.22 3.03 1noyB1 ARG 72 HD3 -0.07 0.04 0.02 -0.04 3.22 3.17 1noyB1 GLY 82 HA2 0.08 0.17 0.50 -0.51 4.01 4.26 1noyB1 GLY 82 HA3 0.05 -0.01 0.34 -0.51 4.01 3.89 1noyB1 MET 83 H 0.05 0.18 0.15 -0.55 8.47 8.31 1noyB1 MET 83 HA 0.18 0.07 0.39 -0.75 4.52 4.41 1noyB1 MET 83 HB2 0.05 0.06 0.17 -0.04 2.15 2.38 1noyB1 MET 83 HB3 0.02 0.01 0.11 -0.04 2.03 2.12 1noyB1 MET 83 HG2 -0.07 0.06 0.06 -0.04 2.63 2.64 1noyB1 MET 83 HG3 -0.03 -0.08 0.06 -0.04 2.56 2.47 1noyB1 MET 83 HE3 0.06 0.02 0.05 -0.04 2.10 2.19 1noyB1 ASN 84 H 0.03 0.24 -0.52 -0.55 8.53 7.73 1noyB1 ASN 84 HA -0.00 0.04 0.45 -0.75 4.76 4.50 1noyB1 ASN 84 HB2 -0.01 0.00 0.05 -0.04 2.88 2.89 1noyB1 ASN 84 HB3 -0.03 0.10 -0.03 -0.04 2.79 2.78 1noyB1 ASN 84 HD21 -0.02 -0.02 -0.01 -0.04 7.03 6.95 1noyB1 ASN 84 HD22 -0.01 0.03 -0.02 -0.04 7.74 7.69 1noyB1 ASP 85 H 0.01 0.58 -0.12 -0.55 8.40 8.32 1noyB1 ASP 85 HA -0.50 0.09 0.41 -0.75 4.63 3.88 1noyB1 ASP 85 HB2 0.08 0.17 0.08 -0.04 2.71 3.00 1noyB1 ASP 85 HB3 -0.07 -0.00 -0.05 -0.04 2.70 2.54 1noyB1 PHE 86 H 0.22 0.23 -0.41 -0.55 8.34 7.83 1noyB1 PHE 86 HA 0.24 0.06 0.35 -0.75 4.62 4.52 1noyB1 PHE 86 HB2 0.11 -0.05 0.14 -0.04 3.15 3.31 1noyB1 PHE 86 HB3 0.05 0.12 0.15 -0.04 3.06 3.34 1noyB1 PHE 86 HD2 0.11 -0.04 -0.16 -0.04 7.28 7.14 1noyB1 PHE 86 HE2 0.31 -0.05 -0.07 -0.04 7.38 7.52 1noyB1 PHE 86 HZ 0.21 0.21 -0.02 -0.04 7.32 7.68 1noyB1 LYS 87 H 0.14 0.31 -0.12 -0.55 8.42 8.19 1noyB1 LYS 87 HA 0.05 0.02 0.32 -0.75 4.32 3.96 1noyB1 LYS 87 HB2 -0.03 0.12 0.16 -0.04 1.87 2.08 1noyB1 LYS 87 HB3 -0.06 -0.02 -0.01 -0.04 1.79 1.65 1noyB1 LYS 87 HG2 -0.11 -0.02 -0.14 -0.04 1.46 1.15 1noyB1 LYS 87 HG3 -0.03 0.07 0.03 -0.04 1.46 1.48 1noyB1 LYS 87 HD2 -0.04 -0.05 0.03 -0.04 1.69 1.59 1noyB1 LYS 87 HD3 -0.07 0.12 0.04 -0.04 1.68 1.73 1noyB1 LYS 87 HE2 -0.10 -0.11 0.00 -0.04 2.99 2.74 1noyB1 LYS 87 HE3 -0.06 -0.03 -0.03 -0.04 2.99 2.83 1noyB1 LEU 88 H -0.07 0.58 -0.11 -0.55 8.37 8.23 1noyB1 LEU 88 HA -0.05 0.11 0.46 -0.75 4.35 4.10 1noyB1 LEU 88 HB2 -0.48 -0.02 0.16 -0.04 1.64 1.25 1noyB1 LEU 88 HB3 -0.20 0.07 0.05 -0.04 1.64 1.52 1noyB1 LEU 88 HG -0.13 0.09 0.07 -0.04 1.64 1.63 1noyB1 LEU 88 HD13 -0.24 -0.03 -0.10 -0.04 0.93 0.52 1noyB1 LEU 88 HD23 -0.05 0.01 0.08 -0.04 0.89 0.88 1noyB1 ALA 89 H 0.04 0.58 -0.31 -0.55 8.40 8.16 1noyB1 ALA 89 HA 0.37 0.03 0.40 -0.75 4.34 4.39 1noyB1 ALA 89 HB3 0.40 -0.02 0.13 -0.04 1.41 1.88 1noyB1 TYR 90 H 0.05 0.65 -0.11 -0.55 8.29 8.33 1noyB1 TYR 90 HA -0.95 -0.04 0.34 -0.75 4.56 3.15 1noyB1 TYR 90 HB2 -0.42 -0.01 0.04 -0.04 3.06 2.64 1noyB1 TYR 90 HB3 -0.18 0.15 0.16 -0.04 2.98 3.06 1noyB1 TYR 90 HD2 -0.30 0.01 -0.15 -0.04 7.15 6.67 1noyB1 TYR 90 HE2 0.03 -0.03 -0.09 -0.04 6.85 6.72 1noyB1 ILE 91 H 0.04 0.61 -0.13 -0.55 8.25 8.22 1noyB1 ILE 91 HA 0.09 -0.08 0.26 -0.75 4.18 3.70 1noyB1 ILE 91 HB -0.05 0.19 0.14 -0.04 1.89 2.13 1noyB1 ILE 91 HG12 -0.40 -0.12 -0.09 -0.04 1.49 0.84 1noyB1 ILE 91 HG13 -0.09 0.23 0.03 -0.04 1.21 1.33 1noyB1 ILE 91 HG23 -0.12 -0.01 -0.23 -0.04 0.93 0.52 1noyB1 ILE 91 HD13 -0.51 -0.03 -0.27 -0.04 0.88 0.04 1noyB1 SER 92 H 0.05 0.58 -0.06 -0.55 8.46 8.49 1noyB1 SER 92 HA 0.07 0.15 0.43 -0.75 4.49 4.39 1noyB1 SER 92 HB2 0.07 -0.03 0.05 -0.04 3.95 3.99 1noyB1 SER 92 HB3 0.11 0.02 0.14 -0.04 3.93 4.16 1noyB1 ASP 93 H -0.01 0.49 -0.29 -0.55 8.40 8.04 1noyB1 ASP 93 HA 0.00 0.02 0.46 -0.75 4.63 4.35 1noyB1 ASP 93 HB2 0.02 0.14 0.18 -0.04 2.71 3.01 1noyB1 ASP 93 HB3 0.06 -0.10 -0.06 -0.04 2.70 2.57 1noyB1 THR 94 H -0.33 0.72 0.06 -0.55 8.28 8.18 1noyB1 THR 94 HA -0.30 0.03 0.55 -0.75 4.39 3.92 1noyB1 THR 94 HB -0.51 -0.10 0.09 -0.04 4.32 3.75 1noyB1 THR 94 HG23 -1.12 0.14 0.03 -0.04 1.22 0.23 1noyB1 TYR 95 H -0.04 0.55 -0.48 -0.55 8.29 7.77 1noyB1 TYR 95 HA 0.00 0.08 0.86 -0.75 4.56 4.74 1noyB1 TYR 95 HB2 0.05 0.13 0.10 -0.04 3.06 3.30 1noyB1 TYR 95 HB3 0.10 0.00 0.00 -0.04 2.98 3.05 1noyB1 TYR 95 HD2 0.02 0.10 -0.02 -0.04 7.15 7.20 1noyB1 TYR 95 HE2 0.12 -0.01 -0.25 -0.04 6.85 6.68 1noyB1 GLY 96 H 0.01 0.13 0.03 -0.55 8.43 8.06 1noyB1 GLY 96 HA2 0.04 0.20 0.93 -0.51 4.01 4.66 1noyB1 GLY 96 HA3 0.01 -0.05 0.32 -0.51 4.01 3.78 1noyB1 SER 97 H 0.02 0.11 0.08 -0.55 8.46 8.13 1noyB1 SER 97 HA 0.01 -0.05 0.34 -0.75 4.49 4.04 1noyB1 SER 97 HB2 0.01 -0.09 -0.18 -0.04 3.95 3.66 1noyB1 SER 97 HB3 0.03 0.29 0.30 -0.04 3.93 4.51 1noyB1 GLU 98 H 0.01 0.01 0.10 -0.55 8.60 8.17 1noyB1 GLU 98 HA 0.01 0.02 0.34 -0.75 4.29 3.90 1noyB1 GLU 98 HB2 0.02 -0.06 0.13 -0.04 2.09 2.13 1noyB1 GLU 98 HB3 0.03 0.06 -0.10 -0.04 1.99 1.94 1noyB1 GLU 98 HG2 -0.01 0.06 0.06 -0.04 2.34 2.41 1noyB1 GLU 98 HG3 -0.01 -0.05 0.08 -0.04 2.34 2.32 1noyB1 ILE 99 H 0.05 0.13 0.16 -0.55 8.25 8.03 1noyB1 ILE 99 HA 0.05 0.17 0.68 -0.75 4.18 4.33 1noyB1 ILE 99 HB 0.05 -0.02 0.12 -0.04 1.89 1.99 1noyB1 ILE 99 HG12 0.14 0.10 -0.03 -0.04 1.49 1.66 1noyB1 ILE 99 HG13 0.12 0.09 0.04 -0.04 1.21 1.42 1noyB1 ILE 99 HG23 -0.38 -0.02 -0.13 -0.04 0.93 0.35 1noyB1 ILE 99 HD13 0.14 -0.03 0.02 -0.04 0.88 0.97 1noyB1 VAL 100 H -0.01 0.35 0.15 -0.55 8.24 8.18 1noyB1 VAL 100 HA -0.00 0.09 0.90 -0.75 4.13 4.37 1noyB1 VAL 100 HB -0.03 -0.03 -0.03 -0.04 2.12 1.98 1noyB1 VAL 100 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 1noyB1 VAL 100 HG23 0.02 0.05 0.07 -0.04 0.95 1.05 1noyB1 TYR 101 H -0.13 0.18 0.09 -0.55 8.29 7.89 1noyB1 TYR 101 HA -0.77 0.29 0.77 -0.75 4.56 4.10 1noyB1 TYR 101 HB2 -1.50 -0.02 -0.08 -0.04 3.06 1.43 1noyB1 TYR 101 HB3 -1.25 0.07 -0.31 -0.04 2.98 1.45 1noyB1 TYR 101 HD2 -0.14 0.03 -0.24 -0.04 7.15 6.76 1noyB1 TYR 101 HE2 0.04 -0.02 -0.10 -0.04 6.85 6.73 1noyB1 ASP 102 H -0.14 0.35 0.05 -0.55 8.40 8.12 1noyB1 ASP 102 HA -0.23 0.12 0.73 -0.75 4.63 4.49 1noyB1 ASP 102 HB2 0.10 0.13 -0.10 -0.04 2.71 2.80 1noyB1 ASP 102 HB3 0.57 0.04 0.07 -0.04 2.70 3.33 1noyB1 ARG 103 H -0.04 0.21 0.09 -0.55 8.46 8.17 1noyB1 ARG 103 HA 0.25 0.10 0.44 -0.75 4.34 4.38 1noyB1 ARG 103 HB2 0.16 0.02 0.07 -0.04 1.90 2.11 1noyB1 ARG 103 HB3 0.04 0.03 0.06 -0.04 1.80 1.89 1noyB1 ARG 103 HG2 0.07 0.06 -0.07 -0.04 1.67 1.69 1noyB1 ARG 103 HG3 0.12 -0.00 0.05 -0.04 1.67 1.80 1noyB1 ARG 103 HD2 0.11 -0.00 -0.11 -0.04 3.22 3.17 1noyB1 ARG 103 HD3 0.07 0.03 -0.05 -0.04 3.22 3.23 1noyB1 LYS 104 H -0.06 0.05 -0.28 -0.55 8.42 7.58 1noyB1 LYS 104 HA -0.13 0.09 0.26 -0.75 4.32 3.78 1noyB1 LYS 104 HB2 -0.79 0.03 -0.02 -0.04 1.87 1.05 1noyB1 LYS 104 HB3 -0.39 0.07 0.08 -0.04 1.79 1.51 1noyB1 LYS 104 HG2 -0.13 -0.07 0.04 -0.04 1.46 1.25 1noyB1 LYS 104 HG3 -0.16 0.04 0.02 -0.04 1.46 1.33 1noyB1 LYS 104 HD2 -0.09 0.09 0.01 -0.04 1.69 1.67 1noyB1 LYS 104 HD3 -0.07 -0.12 -0.08 -0.04 1.68 1.37 1noyB1 LYS 104 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.91 1noyB1 LYS 104 HE3 -0.05 -0.04 0.01 -0.04 2.99 2.87 1noyB1 PHE 105 H 0.21 0.21 -0.54 -0.55 8.34 7.67 1noyB1 PHE 105 HA 0.07 0.20 0.80 -0.75 4.62 4.93 1noyB1 PHE 105 HB2 0.20 0.00 -0.07 -0.04 3.15 3.25 1noyB1 PHE 105 HB3 0.05 0.10 0.08 -0.04 3.06 3.25 1noyB1 PHE 105 HD2 0.13 0.27 0.06 -0.04 7.28 7.70 1noyB1 PHE 105 HE2 0.06 -0.02 -0.04 -0.04 7.38 7.34 1noyB1 PHE 105 HZ 0.05 -0.01 -0.04 -0.04 7.32 7.27 1noyB1 VAL 106 H 0.20 0.64 -0.13 -0.55 8.24 8.39 1noyB1 VAL 106 HA 0.21 0.10 0.71 -0.75 4.13 4.39 1noyB1 VAL 106 HB 0.16 0.02 0.17 -0.04 2.12 2.43 1noyB1 VAL 106 HG13 0.12 -0.02 -0.10 -0.04 0.97 0.93 1noyB1 VAL 106 HG23 0.44 0.01 -0.04 -0.04 0.95 1.32 1noyB1 ARG 107 H 0.09 0.23 0.14 -0.55 8.46 8.36 1noyB1 ARG 107 HA 0.02 0.07 0.64 -0.75 4.34 4.32 1noyB1 ARG 107 HB2 0.02 0.14 0.11 -0.04 1.90 2.14 1noyB1 ARG 107 HB3 0.00 -0.13 0.29 -0.04 1.80 1.93 1noyB1 ARG 107 HG2 -0.04 -0.06 -0.19 -0.04 1.67 1.34 1noyB1 ARG 107 HG3 -0.01 -0.13 -0.03 -0.04 1.67 1.45 1noyB1 ARG 107 HD2 -0.01 0.04 -0.04 -0.04 3.22 3.16 1noyB1 ARG 107 HD3 -0.06 0.25 -0.42 -0.04 3.22 2.95 1noyB1 VAL 108 H 0.03 0.28 0.23 -0.55 8.24 8.24 1noyB1 VAL 108 HA 0.03 0.19 0.96 -0.75 4.13 4.55 1noyB1 VAL 108 HB 0.07 -0.02 0.16 -0.04 2.12 2.28 1noyB1 VAL 108 HG13 0.06 -0.02 -0.16 -0.04 0.97 0.81 1noyB1 VAL 108 HG23 0.04 0.05 -0.09 -0.04 0.95 0.90 1noyB1 ALA 109 H 0.04 0.74 0.44 -0.55 8.40 9.08 1noyB1 ALA 109 HA 0.00 0.16 1.00 -0.75 4.34 4.74 1noyB1 ALA 109 HB3 -0.11 0.02 0.05 -0.04 1.41 1.33 1noyB1 ASN 110 H -0.06 0.35 0.32 -0.55 8.53 8.60 1noyB1 ASN 110 HA -0.59 0.36 0.87 -0.75 4.76 4.65 1noyB1 ASN 110 HB2 -0.14 -0.05 -0.20 -0.04 2.88 2.45 1noyB1 ASN 110 HB3 -0.10 -0.10 -0.23 -0.04 2.79 2.32 1noyB1 ASN 110 HD21 -0.05 0.32 0.06 -0.04 7.03 7.33 1noyB1 ASN 110 HD22 -0.03 -0.08 -0.06 -0.04 7.74 7.52 1noyB1 CYS 111 H -0.27 0.33 0.37 -0.55 8.50 8.39 1noyB1 CYS 111 HA 0.11 0.21 0.71 -0.75 4.58 4.86 1noyB1 CYS 111 HB2 0.36 0.20 0.22 -0.04 2.97 3.71 1noyB1 CYS 111 HB3 0.57 0.01 -0.22 -0.04 2.97 3.29 1noyB1 ASP 112 H 0.10 0.60 0.23 -0.55 8.40 8.79 1noyB1 ASP 112 HA 0.07 0.03 0.77 -0.75 4.63 4.74 1noyB1 ASP 112 HB2 0.03 -0.04 -0.08 -0.04 2.71 2.58 1noyB1 ASP 112 HB3 0.01 0.04 0.16 -0.04 2.70 2.87 1noyB1 ILE 113 H 0.09 0.09 0.14 -0.55 8.25 8.01 1noyB1 ILE 113 HA -0.00 0.24 1.11 -0.75 4.18 4.78 1noyB1 ILE 113 HB -0.03 0.08 0.13 -0.04 1.89 2.02 1noyB1 ILE 113 HG12 0.09 -0.12 0.05 -0.04 1.49 1.47 1noyB1 ILE 113 HG13 0.15 -0.03 -0.31 -0.04 1.21 0.98 1noyB1 ILE 113 HG23 -0.03 -0.01 -0.03 -0.04 0.93 0.82 1noyB1 ILE 113 HD13 -0.25 0.03 -0.10 -0.04 0.88 0.51 1noyB1 GLU 114 H -0.00 0.75 0.41 -0.55 8.60 9.21 1noyB1 GLU 114 HA -0.04 0.19 0.92 -0.75 4.29 4.60 1noyB1 GLU 114 HB2 0.00 -0.12 0.12 -0.04 2.09 2.05 1noyB1 GLU 114 HB3 -0.08 -0.00 -0.06 -0.04 1.99 1.81 1noyB1 GLU 114 HG2 -0.14 0.03 -0.38 -0.04 2.34 1.81 1noyB1 GLU 114 HG3 -0.41 -0.03 -0.17 -0.04 2.34 1.69 1noyB1 VAL 115 H 0.02 0.32 0.15 -0.55 8.24 8.17 1noyB1 VAL 115 HA 0.04 0.07 0.86 -0.75 4.13 4.34 1noyB1 VAL 115 HB 0.05 -0.04 0.01 -0.04 2.12 2.11 1noyB1 VAL 115 HG13 0.07 0.10 -0.20 -0.04 0.97 0.90 1noyB1 VAL 115 HG23 -0.31 0.01 -0.27 -0.04 0.95 0.34 1noyB1 THR 116 H -0.05 0.21 0.10 -0.55 8.28 8.00 1noyB1 THR 116 HA -0.13 0.18 0.93 -0.75 4.39 4.62 1noyB1 THR 116 HB -0.30 -0.02 0.06 -0.04 4.32 4.02 1noyB1 THR 116 HG23 -0.34 0.03 -0.07 -0.04 1.22 0.79 1noyB1 GLY 117 H -0.31 0.33 0.14 -0.55 8.43 8.04 1noyB1 GLY 117 HA2 -1.06 0.04 0.25 -0.51 4.01 2.73 1noyB1 GLY 117 HA3 -1.28 0.11 0.46 -0.51 4.01 2.79 1noyB1 ASP 118 H -0.41 0.13 0.08 -0.55 8.40 7.66 1noyB1 ASP 118 HA 0.05 -0.02 0.46 -0.75 4.63 4.36 1noyB1 ASP 118 HB2 0.37 0.01 0.10 -0.04 2.71 3.14 1noyB1 ASP 118 HB3 0.16 0.08 0.04 -0.04 2.70 2.93 1noyB1 LYS 119 H 0.07 0.03 0.19 -0.55 8.42 8.15 1noyB1 LYS 119 HA 0.08 -0.02 0.33 -0.75 4.32 3.95 1noyB1 LYS 119 HB2 0.07 -0.01 0.15 -0.04 1.87 2.04 1noyB1 LYS 119 HB3 0.11 0.06 -0.05 -0.04 1.79 1.88 1noyB1 LYS 119 HG2 0.03 -0.03 0.14 -0.04 1.46 1.56 1noyB1 LYS 119 HG3 0.04 0.01 0.08 -0.04 1.46 1.55 1noyB1 LYS 119 HD2 -0.00 0.01 0.07 -0.04 1.69 1.72 1noyB1 LYS 119 HD3 0.03 -0.00 0.10 -0.04 1.68 1.77 1noyB1 LYS 119 HE2 -0.02 -0.06 0.10 -0.04 2.99 2.96 1noyB1 LYS 119 HE3 -0.05 0.02 0.07 -0.04 2.99 2.99 1noyB1 PHE 120 H 0.11 0.03 0.11 -0.55 8.34 8.05 1noyB1 PHE 120 HA -0.02 0.00 0.30 -0.75 4.62 4.15 1noyB1 PHE 120 HB2 0.01 -0.07 -0.04 -0.04 3.15 3.01 1noyB1 PHE 120 HB3 0.06 0.15 0.13 -0.04 3.06 3.36 1noyB1 PHE 120 HD2 0.08 0.03 -0.31 -0.04 7.28 7.04 1noyB1 PHE 120 HE2 0.13 0.02 -0.04 -0.04 7.38 7.45 1noyB1 PHE 120 HZ 0.09 0.02 -0.01 -0.04 7.32 7.38 1noyB1 PRO 121 HA 0.35 0.07 0.38 -0.51 4.44 4.73 1noyB1 PRO 121 HB2 0.50 0.01 -0.03 -0.04 2.28 2.73 1noyB1 PRO 121 HB3 0.59 -0.00 -0.08 -0.04 2.02 2.49 1noyB1 PRO 121 HG2 0.46 0.02 0.01 -0.04 2.03 2.48 1noyB1 PRO 121 HG3 0.20 0.01 -0.11 -0.04 2.03 2.09 1noyB1 PRO 121 HD2 0.07 -0.02 0.11 -0.04 3.68 3.79 1noyB1 PRO 121 HD3 0.18 0.14 -0.13 -0.04 3.65 3.79 1noyB1 ASP 122 H 0.16 0.24 0.32 -0.55 8.40 8.58 1noyB1 ASP 122 HA 0.19 0.12 0.42 -0.75 4.63 4.60 1noyB1 ASP 122 HB2 -0.07 0.14 0.22 -0.04 2.71 2.96 1noyB1 ASP 122 HB3 0.00 -0.11 0.19 -0.04 2.70 2.74 1noyB1 PRO 123 HA -0.11 0.07 0.42 -0.51 4.44 4.31 1noyB1 PRO 123 HB2 0.11 0.06 -0.00 -0.04 2.28 2.41 1noyB1 PRO 123 HB3 -0.00 0.03 0.09 -0.04 2.02 2.10 1noyB1 PRO 123 HG2 0.48 0.11 0.16 -0.04 2.03 2.74 1noyB1 PRO 123 HG3 0.49 0.05 0.11 -0.04 2.03 2.65 1noyB1 PRO 123 HD2 0.31 0.08 0.22 -0.04 3.68 4.24 1noyB1 PRO 123 HD3 0.67 0.13 0.17 -0.04 3.65 4.58 1noyB1 MET 124 H 0.03 0.04 -0.29 -0.55 8.47 7.70 1noyB1 MET 124 HA -0.02 0.15 0.53 -0.75 4.52 4.42 1noyB1 MET 124 HB2 -0.02 -0.06 -0.01 -0.04 2.15 2.02 1noyB1 MET 124 HB3 -0.01 0.06 -0.01 -0.04 2.03 2.03 1noyB1 MET 124 HG2 0.03 0.01 0.01 -0.04 2.63 2.63 1noyB1 MET 124 HG3 0.04 -0.08 -0.00 -0.04 2.56 2.48 1noyB1 MET 124 HE3 -0.01 -0.00 -0.10 -0.04 2.10 1.95 1noyB1 LYS 125 H -0.06 0.04 -0.29 -0.55 8.42 7.56 1noyB1 LYS 125 HA -0.08 0.18 0.57 -0.75 4.32 4.24 1noyB1 LYS 125 HB2 -0.08 -0.05 0.03 -0.04 1.87 1.73 1noyB1 LYS 125 HB3 -0.08 0.02 -0.02 -0.04 1.79 1.66 1noyB1 LYS 125 HG2 -0.04 -0.09 0.00 -0.04 1.46 1.29 1noyB1 LYS 125 HG3 -0.04 -0.00 -0.00 -0.04 1.46 1.37 1noyB1 LYS 125 HD2 -0.04 0.05 -0.09 -0.04 1.69 1.57 1noyB1 LYS 125 HD3 -0.04 -0.03 -0.47 -0.04 1.68 1.10 1noyB1 LYS 125 HE2 -0.03 -0.00 -0.04 -0.04 2.99 2.88 1noyB1 LYS 125 HE3 -0.03 0.05 -0.08 -0.04 2.99 2.89 1noyB1 ALA 126 H -0.19 0.50 0.01 -0.55 8.40 8.18 1noyB1 ALA 126 HA -0.51 -0.05 0.23 -0.75 4.34 3.26 1noyB1 ALA 126 HB3 -0.59 0.07 -0.17 -0.04 1.41 0.68 1noyB1 GLU 127 H -0.19 -0.03 -0.08 -0.55 8.60 7.76 1noyB1 GLU 127 HA -0.10 0.24 0.59 -0.75 4.29 4.26 1noyB1 GLU 127 HB2 -0.74 -0.11 0.05 -0.04 2.09 1.25 1noyB1 GLU 127 HB3 -0.29 -0.02 -0.06 -0.04 1.99 1.57 1noyB1 GLU 127 HG2 -0.11 0.10 -0.06 -0.04 2.34 2.22 1noyB1 GLU 127 HG3 -0.17 -0.04 -0.15 -0.04 2.34 1.94 1noyB1 TYR 128 H -0.16 -0.03 -0.01 -0.55 8.29 7.54 1noyB1 TYR 128 HA 0.14 0.08 0.67 -0.75 4.56 4.70 1noyB1 TYR 128 HB2 0.13 0.01 -0.03 -0.04 3.06 3.14 1noyB1 TYR 128 HB3 0.06 0.09 0.13 -0.04 2.98 3.22 1noyB1 TYR 128 HD2 0.16 0.06 -0.10 -0.04 7.15 7.24 1noyB1 TYR 128 HE2 0.15 0.16 -0.02 -0.04 6.85 7.10 1noyB1 GLU 129 H 0.25 0.02 0.15 -0.55 8.60 8.47 1noyB1 GLU 129 HA 0.15 0.17 0.46 -0.75 4.29 4.33 1noyB1 GLU 129 HB2 0.14 -0.07 0.05 -0.04 2.09 2.17 1noyB1 GLU 129 HB3 0.11 -0.02 0.12 -0.04 1.99 2.16 1noyB1 GLU 129 HG2 0.10 -0.09 0.10 -0.04 2.34 2.41 1noyB1 GLU 129 HG3 0.11 0.13 0.04 -0.04 2.34 2.58 1noyB1 ILE 130 H 0.09 0.16 0.14 -0.55 8.25 8.09 1noyB1 ILE 130 HA 0.03 0.23 0.96 -0.75 4.18 4.65 1noyB1 ILE 130 HB 0.02 -0.06 0.09 -0.04 1.89 1.91 1noyB1 ILE 130 HG12 -0.07 0.04 -0.13 -0.04 1.49 1.29 1noyB1 ILE 130 HG13 0.14 0.00 -0.33 -0.04 1.21 0.98 1noyB1 ILE 130 HG23 -0.02 -0.00 -0.07 -0.04 0.93 0.80 1noyB1 ILE 130 HD13 0.09 0.01 -0.11 -0.04 0.88 0.83 1noyB1 ASP 131 H 0.09 0.40 0.19 -0.55 8.40 8.54 1noyB1 ASP 131 HA 0.13 0.10 0.75 -0.75 4.63 4.86 1noyB1 ASP 131 HB2 0.35 -0.02 -0.11 -0.04 2.71 2.88 1noyB1 ASP 131 HB3 0.19 0.04 0.04 -0.04 2.70 2.93 1noyB1 ALA 132 H 0.08 0.27 0.21 -0.55 8.40 8.42 1noyB1 ALA 132 HA 0.14 0.46 0.69 -0.75 4.34 4.87 1noyB1 ALA 132 HB3 0.06 -0.02 -0.04 -0.04 1.41 1.36 1noyB1 ILE 133 H 0.15 0.55 0.22 -0.55 8.25 8.62 1noyB1 ILE 133 HA -0.01 0.15 0.89 -0.75 4.18 4.47 1noyB1 ILE 133 HB -0.26 -0.01 0.11 -0.04 1.89 1.69 1noyB1 ILE 133 HG12 -0.15 0.01 -0.03 -0.04 1.49 1.27 1noyB1 ILE 133 HG13 -0.09 -0.12 -0.56 -0.04 1.21 0.40 1noyB1 ILE 133 HG23 -0.51 0.01 -0.20 -0.04 0.93 0.19 1noyB1 ILE 133 HD13 -0.46 0.01 -0.11 -0.04 0.88 0.29 1noyB1 THR 134 H 0.09 0.41 0.25 -0.55 8.28 8.49 1noyB1 THR 134 HA 0.30 0.37 1.06 -0.75 4.39 5.35 1noyB1 THR 134 HB 0.12 -0.01 0.04 -0.04 4.32 4.43 1noyB1 THR 134 HG23 0.30 0.00 -0.22 -0.04 1.22 1.26 1noyB1 HIS 135 H 0.50 0.61 0.21 -0.55 8.41 9.19 1noyB1 HIS 135 HA 0.30 0.19 1.01 -0.75 4.63 5.37 1noyB1 HIS 135 HB2 0.40 -0.07 -0.16 -0.04 3.26 3.40 1noyB1 HIS 135 HB3 0.47 0.02 0.10 -0.04 3.20 3.75 1noyB1 HIS 135 HD2 0.14 -0.08 -0.57 -0.04 6.97 6.41 1noyB1 HIS 135 HE1 -0.64 0.01 -0.10 -0.04 7.75 6.97 1noyB1 TYR 136 H 0.17 0.29 0.23 -0.55 8.29 8.43 1noyB1 TYR 136 HA -0.00 0.25 0.79 -0.75 4.56 4.84 1noyB1 TYR 136 HB2 -0.33 -0.04 -0.02 -0.04 3.06 2.64 1noyB1 TYR 136 HB3 -0.15 -0.09 0.13 -0.04 2.98 2.83 1noyB1 TYR 136 HD2 -1.02 -0.05 -0.24 -0.04 7.15 5.80 1noyB1 TYR 136 HE2 -0.27 0.06 -0.17 -0.04 6.85 6.42 1noyB1 ASP 137 H -0.61 0.42 0.17 -0.55 8.40 7.83 1noyB1 ASP 137 HA -0.11 0.16 0.81 -0.75 4.63 4.73 1noyB1 ASP 137 HB2 0.16 0.11 -0.06 -0.04 2.71 2.88 1noyB1 ASP 137 HB3 0.15 -0.01 0.20 -0.04 2.70 2.99 1noyB1 SER 138 H -0.14 0.76 0.23 -0.55 8.46 8.76 1noyB1 SER 138 HA -0.22 -0.01 0.28 -0.75 4.49 3.79 1noyB1 SER 138 HB2 0.13 -0.01 0.12 -0.04 3.95 4.14 1noyB1 SER 138 HB3 0.13 0.17 0.26 -0.04 3.93 4.45 1noyB1 ILE 139 H -0.07 0.02 -0.24 -0.55 8.25 7.42 1noyB1 ILE 139 HA -0.03 0.17 0.46 -0.75 4.18 4.02 1noyB1 ILE 139 HB -0.01 -0.09 0.09 -0.04 1.89 1.83 1noyB1 ILE 139 HG12 -0.00 -0.20 -0.00 -0.04 1.49 1.25 1noyB1 ILE 139 HG13 0.01 0.05 -0.04 -0.04 1.21 1.18 1noyB1 ILE 139 HG23 -0.00 0.04 -0.08 -0.04 0.93 0.84 1noyB1 ILE 139 HD13 0.02 0.03 -0.29 -0.04 0.88 0.60 1noyB1 ASP 140 H -0.03 0.09 0.01 -0.55 8.40 7.92 1noyB1 ASP 140 HA -0.01 0.18 0.65 -0.75 4.63 4.70 1noyB1 ASP 140 HB2 0.02 0.02 0.10 -0.04 2.71 2.81 1noyB1 ASP 140 HB3 0.03 0.01 0.07 -0.04 2.70 2.76 1noyB1 ASP 141 H -0.16 0.15 -0.61 -0.55 8.40 7.23 1noyB1 ASP 141 HA -0.25 -0.09 0.16 -0.75 4.63 3.71 1noyB1 ASP 141 HB2 0.01 0.13 -0.14 -0.04 2.71 2.67 1noyB1 ASP 141 HB3 0.01 0.13 -0.15 -0.04 2.70 2.66 1noyB1 ARG 142 H -0.29 0.14 -0.10 -0.55 8.46 7.66 1noyB1 ARG 142 HA 0.03 0.30 1.04 -0.75 4.34 4.96 1noyB1 ARG 142 HB2 -0.45 -0.14 -0.07 -0.04 1.90 1.19 1noyB1 ARG 142 HB3 -0.36 0.10 -0.11 -0.04 1.80 1.38 1noyB1 ARG 142 HG2 -0.07 0.28 -0.37 -0.04 1.67 1.46 1noyB1 ARG 142 HG3 -0.13 -0.10 -0.09 -0.04 1.67 1.31 1noyB1 ARG 142 HD2 -0.03 0.05 -0.02 -0.04 3.22 3.17 1noyB1 ARG 142 HD3 0.02 0.13 0.11 -0.04 3.22 3.44 1noyB1 PHE 143 H 0.39 0.61 0.04 -0.55 8.34 8.83 1noyB1 PHE 143 HA 0.25 0.04 0.58 -0.75 4.62 4.74 1noyB1 PHE 143 HB2 0.07 0.00 -0.00 -0.04 3.15 3.17 1noyB1 PHE 143 HB3 0.12 -0.09 -0.14 -0.04 3.06 2.91 1noyB1 PHE 143 HD2 0.12 0.04 -0.15 -0.04 7.28 7.25 1noyB1 PHE 143 HE2 0.01 0.01 -0.15 -0.04 7.38 7.22 1noyB1 PHE 143 HZ -0.11 -0.01 -0.09 -0.04 7.32 7.06 1noyB1 TYR 144 H 0.58 0.58 0.21 -0.55 8.29 9.11 1noyB1 TYR 144 HA 0.15 0.22 0.85 -0.75 4.56 5.01 1noyB1 TYR 144 HB2 0.44 -0.03 0.21 -0.04 3.06 3.64 1noyB1 TYR 144 HB3 0.21 0.01 0.01 -0.04 2.98 3.17 1noyB1 TYR 144 HD2 0.14 0.14 0.08 -0.04 7.15 7.47 1noyB1 TYR 144 HE2 0.02 -0.04 -0.01 -0.04 6.85 6.79 1noyB1 VAL 145 H 0.13 0.81 0.33 -0.55 8.24 8.95 1noyB1 VAL 145 HA 0.25 0.14 1.02 -0.75 4.13 4.79 1noyB1 VAL 145 HB 0.17 -0.06 0.13 -0.04 2.12 2.32 1noyB1 VAL 145 HG13 -0.01 -0.03 -0.23 -0.04 0.97 0.66 1noyB1 VAL 145 HG23 -0.03 0.02 -0.21 -0.04 0.95 0.69 1noyB1 PHE 146 H 0.44 0.66 0.28 -0.55 8.34 9.17 1noyB1 PHE 146 HA 0.24 0.33 0.94 -0.75 4.62 5.37 1noyB1 PHE 146 HB2 0.00 -0.09 0.22 -0.04 3.15 3.24 1noyB1 PHE 146 HB3 0.01 -0.03 -0.02 -0.04 3.06 2.98 1noyB1 PHE 146 HD2 -0.02 0.12 -0.06 -0.04 7.28 7.28 1noyB1 PHE 146 HE2 0.18 -0.01 -0.20 -0.04 7.38 7.31 1noyB1 PHE 146 HZ 0.15 0.06 -0.13 -0.04 7.32 7.36 1noyB1 ASP 147 H 0.21 0.74 0.29 -0.55 8.40 9.09 1noyB1 ASP 147 HA 0.22 0.28 1.10 -0.75 4.63 5.48 1noyB1 ASP 147 HB2 0.27 -0.03 -0.20 -0.04 2.71 2.70 1noyB1 ASP 147 HB3 0.06 -0.05 0.06 -0.04 2.70 2.72 1noyB1 LEU 148 H 0.21 0.85 0.26 -0.55 8.37 9.14 1noyB1 LEU 148 HA 0.21 0.40 0.93 -0.75 4.35 5.14 1noyB1 LEU 148 HB2 0.14 0.03 0.02 -0.04 1.64 1.79 1noyB1 LEU 148 HB3 0.14 0.01 0.39 -0.04 1.64 2.14 1noyB1 LEU 148 HG 0.12 -0.29 -0.12 -0.04 1.64 1.31 1noyB1 LEU 148 HD13 0.13 0.14 -0.43 -0.04 0.93 0.72 1noyB1 LEU 148 HD23 0.10 -0.02 -0.03 -0.04 0.89 0.90 1noyB1 LEU 149 H 0.14 0.35 0.02 -0.55 8.37 8.34 1noyB1 LEU 149 HA 0.09 0.06 0.69 -0.75 4.35 4.44 1noyB1 LEU 149 HB2 -0.02 0.41 0.16 -0.04 1.64 2.15 1noyB1 LEU 149 HB3 0.10 -0.05 -0.07 -0.04 1.64 1.58 1noyB1 LEU 149 HG 0.04 0.01 0.07 -0.04 1.64 1.73 1noyB1 LEU 149 HD13 0.09 -0.00 -0.10 -0.04 0.93 0.87 1noyB1 LEU 149 HD23 0.07 0.04 -0.02 -0.04 0.89 0.94 1noyB1 ASN 150 H 0.09 0.01 -0.34 -0.55 8.53 7.75 1noyB1 ASN 150 HA 0.05 0.06 0.52 -0.75 4.76 4.64 1noyB1 ASN 150 HB2 0.08 -0.15 -0.42 -0.04 2.88 2.35 1noyB1 ASN 150 HB3 0.07 0.04 -0.05 -0.04 2.79 2.81 1noyB1 ASN 150 HD21 0.03 -0.03 0.08 -0.04 7.03 7.07 1noyB1 ASN 150 HD22 0.04 -0.03 0.12 -0.04 7.74 7.84 1noyB1 SER 151 H 0.10 -0.02 0.09 -0.55 8.46 8.08 1noyB1 SER 151 HA 0.11 -0.06 0.40 -0.75 4.49 4.18 1noyB1 SER 151 HB2 0.09 0.01 0.14 -0.04 3.95 4.15 1noyB1 SER 151 HB3 0.11 -0.05 -0.02 -0.04 3.93 3.93 1noyB1 MET 152 H 0.11 0.09 0.26 -0.55 8.47 8.39 1noyB1 MET 152 HA 0.07 0.11 0.41 -0.75 4.52 4.36 1noyB1 MET 152 HB2 0.11 0.03 0.18 -0.04 2.15 2.43 1noyB1 MET 152 HB3 0.23 -0.12 0.10 -0.04 2.03 2.19 1noyB1 MET 152 HG2 0.01 0.03 -0.02 -0.04 2.63 2.62 1noyB1 MET 152 HG3 0.07 0.02 0.00 -0.04 2.56 2.61 1noyB1 MET 152 HE3 -0.30 0.00 -0.05 -0.04 2.10 1.70 1noyB1 TYR 153 H 0.42 -0.02 -0.12 -0.55 8.29 8.02 1noyB1 TYR 153 HA -0.01 -0.00 0.36 -0.75 4.56 4.16 1noyB1 TYR 153 HB2 -0.02 0.01 0.03 -0.04 3.06 3.04 1noyB1 TYR 153 HB3 -0.04 -0.04 0.03 -0.04 2.98 2.89 1noyB1 TYR 153 HD2 -0.04 -0.04 -0.00 -0.04 7.15 7.03 1noyB1 TYR 153 HE2 -0.12 -0.01 -0.02 -0.04 6.85 6.65 1noyB1 GLY 154 H 0.10 0.58 -0.78 -0.55 8.43 7.78 1noyB1 GLY 154 HA2 0.03 0.03 0.19 -0.51 4.01 3.76 1noyB1 GLY 154 HA3 0.04 0.04 0.44 -0.51 4.01 4.01 1noyB1 SER 155 H 0.01 0.29 0.09 -0.55 8.46 8.30 1noyB1 SER 155 HA 0.02 0.05 0.47 -0.75 4.49 4.28 1noyB1 SER 155 HB2 0.01 0.08 0.05 -0.04 3.95 4.05 1noyB1 SER 155 HB3 0.02 0.04 0.03 -0.04 3.93 3.98 1noyB1 VAL 156 H -0.04 0.16 -0.09 -0.55 8.24 7.72 1noyB1 VAL 156 HA -0.07 0.23 0.80 -0.75 4.13 4.33 1noyB1 VAL 156 HB -0.46 0.01 -0.03 -0.04 2.12 1.60 1noyB1 VAL 156 HG13 -0.08 -0.06 0.17 -0.04 0.97 0.96 1noyB1 VAL 156 HG23 -0.02 0.03 -0.36 -0.04 0.95 0.56 1noyB1 SER 157 H -0.14 0.10 0.12 -0.55 8.46 8.00 1noyB1 SER 157 HA -0.05 0.11 0.49 -0.75 4.49 4.30 1noyB1 SER 157 HB2 -0.02 0.15 0.03 -0.04 3.95 4.07 1noyB1 SER 157 HB3 -0.03 0.02 0.10 -0.04 3.93 3.99 1noyB1 LYS 158 H 0.03 0.11 0.15 -0.55 8.42 8.16 1noyB1 LYS 158 HA 0.29 0.02 0.46 -0.75 4.32 4.34 1noyB1 LYS 158 HB2 0.11 0.02 0.15 -0.04 1.87 2.11 1noyB1 LYS 158 HB3 0.08 -0.01 0.07 -0.04 1.79 1.89 1noyB1 LYS 158 HG2 0.23 0.12 -0.02 -0.04 1.46 1.75 1noyB1 LYS 158 HG3 0.54 -0.05 0.10 -0.04 1.46 2.01 1noyB1 LYS 158 HD2 0.11 0.00 0.04 -0.04 1.69 1.80 1noyB1 LYS 158 HD3 0.09 -0.01 0.01 -0.04 1.68 1.74 1noyB1 LYS 158 HE2 0.21 0.01 0.02 -0.04 2.99 3.19 1noyB1 LYS 158 HE3 0.27 -0.01 0.02 -0.04 2.99 3.24 1noyB1 TRP 159 H 0.43 0.10 0.15 -0.55 7.97 8.11 1noyB1 TRP 159 HA 0.02 0.03 0.56 -0.75 4.62 4.48 1noyB1 TRP 159 HB2 -0.00 -0.04 0.08 -0.04 3.23 3.24 1noyB1 TRP 159 HB3 -1.08 0.02 0.07 -0.04 3.23 2.21 1noyB1 TRP 159 HD1 -0.08 -0.14 0.14 -0.04 7.22 7.10 1noyB1 TRP 159 HE1 -0.09 0.09 -0.03 -0.04 10.20 10.13 1noyB1 TRP 159 HE3 -0.80 -0.02 -0.12 -0.04 7.59 6.60 1noyB1 TRP 159 HZ2 -0.09 0.08 -0.06 -0.04 7.44 7.33 1noyB1 TRP 159 HZ3 -0.12 0.07 -0.06 -0.04 7.13 6.99 1noyB1 TRP 159 HH2 -0.09 0.12 -0.03 -0.04 7.19 7.16 1noyB1 ASP 160 H -0.64 0.15 0.13 -0.55 8.40 7.49 1noyB1 ASP 160 HA -0.48 0.21 0.74 -0.75 4.63 4.35 1noyB1 ASP 160 HB2 -0.26 0.14 0.07 -0.04 2.71 2.63 1noyB1 ASP 160 HB3 -0.40 -0.06 0.24 -0.04 2.70 2.44 1noyB1 ALA 161 H -0.74 0.34 0.15 -0.55 8.40 7.60 1noyB1 ALA 161 HA -1.65 0.08 0.25 -0.75 4.34 2.27 1noyB1 ALA 161 HB3 -0.17 0.04 0.06 -0.04 1.41 1.29 1noyB1 LYS 162 H -0.37 -0.06 -0.49 -0.55 8.42 6.94 1noyB1 LYS 162 HA -0.16 0.22 0.62 -0.75 4.32 4.24 1noyB1 LYS 162 HB2 -0.17 -0.06 -0.03 -0.04 1.87 1.58 1noyB1 LYS 162 HB3 -0.12 0.03 -0.01 -0.04 1.79 1.65 1noyB1 LYS 162 HG2 -0.14 -0.07 -0.07 -0.04 1.46 1.14 1noyB1 LYS 162 HG3 -0.09 0.02 -0.03 -0.04 1.46 1.32 1noyB1 LYS 162 HD2 -0.08 0.00 -0.01 -0.04 1.69 1.56 1noyB1 LYS 162 HD3 -0.10 0.08 -0.15 -0.04 1.68 1.46 1noyB1 LYS 162 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 1noyB1 LYS 162 HE3 -0.04 0.03 -0.04 -0.04 2.99 2.90 1noyB1 LEU 163 H -0.37 0.10 -0.18 -0.55 8.37 7.38 1noyB1 LEU 163 HA -0.14 0.08 0.48 -0.75 4.35 4.02 1noyB1 LEU 163 HB2 -0.23 -0.10 0.11 -0.04 1.64 1.38 1noyB1 LEU 163 HB3 -0.27 0.02 0.07 -0.04 1.64 1.41 1noyB1 LEU 163 HG -0.10 -0.02 -0.02 -0.04 1.64 1.45 1noyB1 LEU 163 HD13 -0.10 -0.01 -0.00 -0.04 0.93 0.77 1noyB1 LEU 163 HD23 -0.08 -0.00 -0.20 -0.04 0.89 0.56 1noyB1 ALA 164 H -0.42 0.51 -0.04 -0.55 8.40 7.91 1noyB1 ALA 164 HA -0.05 -0.11 0.63 -0.75 4.34 4.05 1noyB1 ALA 164 HB3 0.05 -0.01 0.11 -0.04 1.41 1.51 1noyB1 ALA 165 H -0.05 0.34 -0.01 -0.55 8.40 8.13 1noyB1 ALA 165 HA -0.02 0.09 0.38 -0.75 4.34 4.04 1noyB1 ALA 165 HB3 -0.05 0.04 -0.11 -0.04 1.41 1.26 1noyB1 LYS 166 H -0.06 0.27 0.02 -0.55 8.42 8.09 1noyB1 LYS 166 HA -0.03 -0.04 0.34 -0.75 4.32 3.84 1noyB1 LYS 166 HB2 -0.05 0.07 0.16 -0.04 1.87 2.01 1noyB1 LYS 166 HB3 -0.03 -0.00 -0.01 -0.04 1.79 1.70 1noyB1 LYS 166 HG2 -0.05 0.06 0.06 -0.04 1.46 1.49 1noyB1 LYS 166 HG3 -0.05 -0.01 0.03 -0.04 1.46 1.40 1noyB1 LYS 166 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 1noyB1 LYS 166 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.60 1noyB1 LYS 166 HE2 -0.03 0.00 -0.00 -0.04 2.99 2.91 1noyB1 LYS 166 HE3 -0.03 -0.01 -0.01 -0.04 2.99 2.91 1noyB1 LEU 167 H -0.02 0.05 0.13 -0.55 8.37 7.99 1noyB1 LEU 167 HA -0.01 0.10 0.25 -0.75 4.35 3.94 1noyB1 LEU 167 HB2 -0.01 -0.00 0.06 -0.04 1.64 1.65 1noyB1 LEU 167 HB3 -0.01 -0.06 0.11 -0.04 1.64 1.64 1noyB1 LEU 167 HG -0.01 0.06 0.08 -0.04 1.64 1.73 1noyB1 LEU 167 HD13 -0.01 0.00 0.08 -0.04 0.93 0.95 1noyB1 LEU 167 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 1noyB1 ASP 168 H -0.00 0.12 0.14 -0.55 8.40 8.10 1noyB1 ASP 168 HA -0.01 0.40 0.64 -0.75 4.63 4.91 1noyB1 ASP 168 HB2 0.01 -0.08 0.19 -0.04 2.71 2.79 1noyB1 ASP 168 HB3 0.00 -0.04 0.11 -0.04 2.70 2.73 1noyB1 CYS 169 H -0.01 -0.03 -0.72 -0.55 8.50 7.20 1noyB1 CYS 169 HA -0.01 0.12 0.58 -0.75 4.58 4.52 1noyB1 CYS 169 HB2 -0.01 0.02 0.11 -0.04 2.97 3.05 1noyB1 CYS 169 HB3 -0.01 -0.05 0.03 -0.04 2.97 2.90 1noyB1 GLU 170 H -0.01 0.20 -0.52 -0.55 8.60 7.73 1noyB1 GLU 170 HA -0.02 0.10 0.48 -0.75 4.29 4.10 1noyB1 GLU 170 HB2 -0.03 0.19 -0.08 -0.04 2.09 2.14 1noyB1 GLU 170 HB3 -0.03 -0.10 0.10 -0.04 1.99 1.93 1noyB1 GLU 170 HG2 -0.02 0.06 -0.09 -0.04 2.34 2.25 1noyB1 GLU 170 HG3 -0.02 -0.18 -0.89 -0.04 2.34 1.21 1noyB1 GLY 171 H -0.03 0.10 0.06 -0.55 8.43 8.02 1noyB1 GLY 171 HA2 -0.02 0.19 0.54 -0.51 4.01 4.22 1noyB1 GLY 171 HA3 -0.02 -0.04 0.36 -0.51 4.01 3.80 1noyB1 GLY 172 H -0.03 0.24 -0.62 -0.55 8.43 7.48 1noyB1 GLY 172 HA2 -0.04 0.06 0.79 -0.51 4.01 4.31 1noyB1 GLY 172 HA3 -0.04 0.22 0.26 -0.51 4.01 3.93 1noyB1 ASP 173 H -0.02 0.13 0.11 -0.55 8.40 8.07 1noyB1 ASP 173 HA 0.01 0.14 0.72 -0.75 4.63 4.75 1noyB1 ASP 173 HB2 0.04 -0.03 -0.10 -0.04 2.71 2.58 1noyB1 ASP 173 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.69 1noyB1 GLU 174 H 0.02 0.11 -0.04 -0.55 8.60 8.14 1noyB1 GLU 174 HA 0.00 0.32 0.26 -0.75 4.29 4.12 1noyB1 GLU 174 HB2 0.01 -0.05 0.13 -0.04 2.09 2.14 1noyB1 GLU 174 HB3 -0.00 0.02 0.05 -0.04 1.99 2.03 1noyB1 GLU 174 HG2 -0.00 0.01 -0.02 -0.04 2.34 2.29 1noyB1 GLU 174 HG3 -0.00 0.06 -0.22 -0.04 2.34 2.13 1noyB1 VAL 175 H 0.03 0.52 -0.09 -0.55 8.24 8.15 1noyB1 VAL 175 HA 0.01 0.07 0.50 -0.75 4.13 3.96 1noyB1 VAL 175 HB 0.08 0.19 0.06 -0.04 2.12 2.41 1noyB1 VAL 175 HG13 -0.00 -0.00 -0.09 -0.04 0.97 0.84 1noyB1 VAL 175 HG23 0.11 -0.01 -0.10 -0.04 0.95 0.90 1noyB1 PRO 176 HA -0.01 0.03 0.42 -0.51 4.44 4.37 1noyB1 PRO 176 HB2 -0.03 -0.10 0.09 -0.04 2.28 2.19 1noyB1 PRO 176 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 1noyB1 PRO 176 HG2 -0.03 0.04 0.09 -0.04 2.03 2.09 1noyB1 PRO 176 HG3 -0.02 0.09 0.08 -0.04 2.03 2.14 1noyB1 PRO 176 HD2 -0.03 0.01 0.20 -0.04 3.68 3.82 1noyB1 PRO 176 HD3 -0.01 0.39 0.36 -0.04 3.65 4.34 1noyB1 GLN 177 H -0.01 0.15 0.17 -0.55 8.47 8.23 1noyB1 GLN 177 HA -0.00 0.15 0.36 -0.75 4.36 4.11 1noyB1 GLN 177 HB2 -0.01 -0.04 0.10 -0.04 2.15 2.16 1noyB1 GLN 177 HB3 -0.00 0.05 0.01 -0.04 2.02 2.03 1noyB1 GLN 177 HG2 -0.01 -0.02 0.11 -0.04 2.40 2.43 1noyB1 GLN 177 HG3 -0.01 0.01 0.04 -0.04 2.39 2.39 1noyB1 GLN 177 HE21 -0.03 0.02 -0.02 -0.04 6.97 6.90 1noyB1 GLN 177 HE22 -0.02 -0.03 -0.02 -0.04 7.69 7.58 1noyB1 GLU 178 H -0.01 0.05 -0.25 -0.55 8.60 7.85 1noyB1 GLU 178 HA 0.02 0.10 0.37 -0.75 4.29 4.02 1noyB1 GLU 178 HB2 -0.00 -0.07 0.04 -0.04 2.09 2.02 1noyB1 GLU 178 HB3 0.03 0.08 -0.06 -0.04 1.99 2.00 1noyB1 GLU 178 HG2 0.01 0.06 0.00 -0.04 2.34 2.38 1noyB1 GLU 178 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 1noyB1 ILE 179 H -0.05 0.15 -0.19 -0.55 8.25 7.60 1noyB1 ILE 179 HA -0.20 0.06 0.32 -0.75 4.18 3.60 1noyB1 ILE 179 HB -0.17 0.10 0.03 -0.04 1.89 1.82 1noyB1 ILE 179 HG12 -0.12 0.01 -0.03 -0.04 1.49 1.31 1noyB1 ILE 179 HG13 -0.08 -0.06 0.04 -0.04 1.21 1.06 1noyB1 ILE 179 HG23 -0.77 -0.01 -0.14 -0.04 0.93 -0.03 1noyB1 ILE 179 HD13 -0.11 0.00 -0.02 -0.04 0.88 0.71 1noyB1 LEU 180 H -0.04 0.34 -0.23 -0.55 8.37 7.89 1noyB1 LEU 180 HA 0.06 -0.07 0.26 -0.75 4.35 3.84 1noyB1 LEU 180 HB2 0.02 0.10 0.07 -0.04 1.64 1.79 1noyB1 LEU 180 HB3 0.08 -0.02 0.01 -0.04 1.64 1.67 1noyB1 LEU 180 HG 0.03 0.01 -0.10 -0.04 1.64 1.53 1noyB1 LEU 180 HD13 0.01 0.06 0.03 -0.04 0.93 0.98 1noyB1 LEU 180 HD23 0.30 -0.05 0.01 -0.04 0.89 1.11 1noyB1 ASP 181 H 0.02 0.55 -0.14 -0.55 8.40 8.28 1noyB1 ASP 181 HA 0.04 -0.01 0.52 -0.75 4.63 4.42 1noyB1 ASP 181 HB2 0.04 0.13 0.17 -0.04 2.71 3.01 1noyB1 ASP 181 HB3 0.04 -0.03 0.05 -0.04 2.70 2.72 1noyB1 ARG 182 H 0.08 0.37 -0.23 -0.55 8.46 8.13 1noyB1 ARG 182 HA 0.10 0.13 0.57 -0.75 4.34 4.40 1noyB1 ARG 182 HB2 0.39 0.05 0.17 -0.04 1.90 2.47 1noyB1 ARG 182 HB3 0.38 -0.08 0.28 -0.04 1.80 2.34 1noyB1 ARG 182 HG2 0.13 0.09 0.10 -0.04 1.67 1.95 1noyB1 ARG 182 HG3 0.13 -0.07 0.02 -0.04 1.67 1.71 1noyB1 ARG 182 HD2 0.29 0.11 0.05 -0.04 3.22 3.63 1noyB1 ARG 182 HD3 0.16 -0.07 0.02 -0.04 3.22 3.29 1noyB1 VAL 183 H 0.09 0.30 -0.39 -0.55 8.24 7.70 1noyB1 VAL 183 HA 0.16 0.16 0.61 -0.75 4.13 4.31 1noyB1 VAL 183 HB 0.16 0.12 0.09 -0.04 2.12 2.45 1noyB1 VAL 183 HG13 0.05 -0.05 -0.15 -0.04 0.97 0.78 1noyB1 VAL 183 HG23 -0.06 0.01 -0.10 -0.04 0.95 0.76 1noyB1 ILE 184 H 0.07 0.46 0.23 -0.55 8.25 8.46 1noyB1 ILE 184 HA 0.06 0.12 0.67 -0.75 4.18 4.28 1noyB1 ILE 184 HB -0.21 -0.01 0.10 -0.04 1.89 1.72 1noyB1 ILE 184 HG12 -0.09 -0.05 -0.02 -0.04 1.49 1.30 1noyB1 ILE 184 HG13 -0.01 0.01 0.12 -0.04 1.21 1.29 1noyB1 ILE 184 HG23 0.04 -0.02 -0.07 -0.04 0.93 0.84 1noyB1 ILE 184 HD13 -0.12 0.05 -0.39 -0.04 0.88 0.37 1noyB1 TYR 185 H 0.24 0.16 0.07 -0.55 8.29 8.20 1noyB1 TYR 185 HA 0.02 0.08 0.80 -0.75 4.56 4.69 1noyB1 TYR 185 HB2 0.26 -0.02 0.06 -0.04 3.06 3.33 1noyB1 TYR 185 HB3 0.15 0.03 0.12 -0.04 2.98 3.24 1noyB1 TYR 185 HD2 0.06 0.03 -0.02 -0.04 7.15 7.18 1noyB1 TYR 185 HE2 0.13 -0.03 -0.02 -0.04 6.85 6.89 1noyB1 MET 186 H -0.44 0.34 0.21 -0.55 8.47 8.04 1noyB1 MET 186 HA -0.38 0.17 0.81 -0.75 4.52 4.37 1noyB1 MET 186 HB2 -0.38 0.02 0.18 -0.04 2.15 1.93 1noyB1 MET 186 HB3 -0.28 -0.01 0.06 -0.04 2.03 1.75 1noyB1 MET 186 HG2 -0.13 0.01 -0.02 -0.04 2.63 2.45 1noyB1 MET 186 HG3 -0.14 0.03 -0.71 -0.04 2.56 1.71 1noyB1 MET 186 HE3 0.06 -0.01 -0.06 -0.04 2.10 2.04 1noyB1 PRO 187 HA -0.19 0.23 0.87 -0.51 4.44 4.84 1noyB1 PRO 187 HB2 -0.10 0.02 0.02 -0.04 2.28 2.18 1noyB1 PRO 187 HB3 -0.16 -0.07 0.11 -0.04 2.02 1.86 1noyB1 PRO 187 HG2 -0.25 0.05 0.12 -0.04 2.03 1.90 1noyB1 PRO 187 HG3 -0.09 0.02 0.07 -0.04 2.03 1.99 1noyB1 PRO 187 HD2 -0.37 0.20 0.19 -0.04 3.68 3.67 1noyB1 PRO 187 HD3 -0.67 0.06 -0.05 -0.04 3.65 2.96 1noyB1 PHE 188 H 0.14 0.62 0.47 -0.55 8.34 9.02 1noyB1 PHE 188 HA 0.02 0.15 0.75 -0.75 4.62 4.79 1noyB1 PHE 188 HB2 0.07 -0.06 -0.06 -0.04 3.15 3.06 1noyB1 PHE 188 HB3 0.05 -0.05 -0.04 -0.04 3.06 2.98 1noyB1 PHE 188 HD2 0.05 -0.06 -0.17 -0.04 7.28 7.06 1noyB1 PHE 188 HE2 -0.05 0.05 -0.02 -0.04 7.38 7.33 1noyB1 PHE 188 HZ -0.03 0.02 -0.06 -0.04 7.32 7.21 1noyB1 ASP 189 H 0.12 0.21 0.10 -0.55 8.40 8.28 1noyB1 ASP 189 HA 0.09 0.15 0.49 -0.75 4.63 4.61 1noyB1 ASP 189 HB2 0.05 0.05 0.15 -0.04 2.71 2.92 1noyB1 ASP 189 HB3 0.04 0.03 0.05 -0.04 2.70 2.79 1noyB1 ASN 190 H 0.17 0.17 -0.36 -0.55 8.53 7.97 1noyB1 ASN 190 HA 0.08 0.13 0.49 -0.75 4.76 4.71 1noyB1 ASN 190 HB2 0.06 -0.00 0.10 -0.04 2.88 2.99 1noyB1 ASN 190 HB3 0.07 0.21 -0.17 -0.04 2.79 2.86 1noyB1 ASN 190 HD21 0.10 0.09 -0.02 -0.04 7.03 7.15 1noyB1 ASN 190 HD22 0.10 -0.04 -0.14 -0.04 7.74 7.61 1noyB1 GLU 191 H 0.07 0.22 0.09 -0.55 8.60 8.44 1noyB1 GLU 191 HA 0.03 0.12 0.43 -0.75 4.29 4.12 1noyB1 GLU 191 HB2 0.07 0.00 0.17 -0.04 2.09 2.29 1noyB1 GLU 191 HB3 0.05 0.02 0.16 -0.04 1.99 2.18 1noyB1 GLU 191 HG2 0.02 0.03 -0.24 -0.04 2.34 2.11 1noyB1 GLU 191 HG3 0.03 0.01 0.06 -0.04 2.34 2.40 1noyB1 ARG 192 H 0.03 0.14 -0.10 -0.55 8.46 7.97 1noyB1 ARG 192 HA -0.00 0.08 0.32 -0.75 4.34 3.98 1noyB1 ARG 192 HB2 0.02 -0.01 0.04 -0.04 1.90 1.91 1noyB1 ARG 192 HB3 0.01 0.11 0.03 -0.04 1.80 1.90 1noyB1 ARG 192 HG2 0.02 -0.02 0.05 -0.04 1.67 1.68 1noyB1 ARG 192 HG3 0.03 -0.06 0.06 -0.04 1.67 1.66 1noyB1 ARG 192 HD2 0.02 0.03 -0.00 -0.04 3.22 3.22 1noyB1 ARG 192 HD3 0.01 0.06 -0.02 -0.04 3.22 3.23 1noyB1 ASP 193 H 0.04 0.10 -0.30 -0.55 8.40 7.69 1noyB1 ASP 193 HA 0.03 0.11 0.36 -0.75 4.63 4.37 1noyB1 ASP 193 HB2 0.14 -0.01 0.06 -0.04 2.71 2.86 1noyB1 ASP 193 HB3 0.20 0.05 0.03 -0.04 2.70 2.94 1noyB1 MET 194 H -0.09 0.31 -0.37 -0.55 8.47 7.78 1noyB1 MET 194 HA -1.22 0.11 0.51 -0.75 4.52 3.16 1noyB1 MET 194 HB2 -0.21 -0.03 -0.01 -0.04 2.15 1.86 1noyB1 MET 194 HB3 -0.13 0.08 0.16 -0.04 2.03 2.09 1noyB1 MET 194 HG2 -0.17 -0.01 -0.24 -0.04 2.63 2.16 1noyB1 MET 194 HG3 -0.54 0.03 -0.08 -0.04 2.56 1.93 1noyB1 MET 194 HE3 0.01 -0.02 -0.11 -0.04 2.10 1.94 1noyB1 LEU 195 H -0.09 0.62 0.07 -0.55 8.37 8.43 1noyB1 LEU 195 HA -0.06 0.01 0.40 -0.75 4.35 3.95 1noyB1 LEU 195 HB2 -0.04 0.10 0.10 -0.04 1.64 1.76 1noyB1 LEU 195 HB3 -0.02 0.00 0.03 -0.04 1.64 1.61 1noyB1 LEU 195 HG -0.03 0.10 -0.08 -0.04 1.64 1.59 1noyB1 LEU 195 HD13 -0.01 -0.00 -0.09 -0.04 0.93 0.78 1noyB1 LEU 195 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.78 1noyB1 MET 196 H -0.06 0.45 -0.22 -0.55 8.47 8.09 1noyB1 MET 196 HA -0.07 0.04 0.34 -0.75 4.52 4.07 1noyB1 MET 196 HB2 -0.03 0.06 0.10 -0.04 2.15 2.25 1noyB1 MET 196 HB3 -0.01 0.12 0.07 -0.04 2.03 2.16 1noyB1 MET 196 HG2 0.00 -0.03 -0.02 -0.04 2.63 2.54 1noyB1 MET 196 HG3 -0.00 0.02 -0.13 -0.04 2.56 2.40 1noyB1 MET 196 HE3 -0.04 0.00 -0.00 -0.04 2.10 2.01 1noyB1 GLU 197 H -0.06 0.27 -0.49 -0.55 8.60 7.78 1noyB1 GLU 197 HA 0.08 0.10 0.55 -0.75 4.29 4.26 1noyB1 GLU 197 HB2 -0.03 0.11 0.16 -0.04 2.09 2.29 1noyB1 GLU 197 HB3 0.44 -0.02 -0.06 -0.04 1.99 2.31 1noyB1 GLU 197 HG2 0.18 0.01 -0.01 -0.04 2.34 2.48 1noyB1 GLU 197 HG3 0.51 -0.01 0.01 -0.04 2.34 2.80 1noyB1 TYR 198 H 0.00 0.41 -0.07 -0.55 8.29 8.09 1noyB1 TYR 198 HA -0.33 0.05 0.43 -0.75 4.56 3.96 1noyB1 TYR 198 HB2 -0.56 0.02 0.09 -0.04 3.06 2.56 1noyB1 TYR 198 HB3 -0.23 0.05 0.13 -0.04 2.98 2.89 1noyB1 TYR 198 HD2 -0.49 0.02 -0.05 -0.04 7.15 6.58 1noyB1 TYR 198 HE2 -0.06 0.01 -0.10 -0.04 6.85 6.65 1noyB1 ILE 199 H -0.15 0.62 -0.06 -0.55 8.25 8.11 1noyB1 ILE 199 HA -0.85 0.01 0.28 -0.75 4.18 2.86 1noyB1 ILE 199 HB -0.26 0.11 0.03 -0.04 1.89 1.73 1noyB1 ILE 199 HG12 -1.12 -0.04 -0.05 -0.04 1.49 0.24 1noyB1 ILE 199 HG13 -0.23 0.11 0.02 -0.04 1.21 1.06 1noyB1 ILE 199 HG23 -0.47 0.00 -0.17 -0.04 0.93 0.25 1noyB1 ILE 199 HD13 -0.25 0.01 -0.11 -0.04 0.88 0.49 1noyB1 ASN 200 H -0.10 0.20 -0.66 -0.55 8.53 7.42 1noyB1 ASN 200 HA -0.09 0.04 0.41 -0.75 4.76 4.37 1noyB1 ASN 200 HB2 -0.03 0.05 0.12 -0.04 2.88 2.98 1noyB1 ASN 200 HB3 0.03 0.14 0.18 -0.04 2.79 3.09 1noyB1 ASN 200 HD21 0.03 -0.04 -0.08 -0.04 7.03 6.91 1noyB1 ASN 200 HD22 0.06 0.06 -0.11 -0.04 7.74 7.71 1noyB1 LEU 201 H -0.05 0.41 -0.19 -0.55 8.37 7.99 1noyB1 LEU 201 HA -0.06 0.03 0.49 -0.75 4.35 4.06 1noyB1 LEU 201 HB2 0.08 -0.02 0.07 -0.04 1.64 1.73 1noyB1 LEU 201 HB3 -0.10 0.09 0.18 -0.04 1.64 1.77 1noyB1 LEU 201 HG -0.35 -0.01 -0.08 -0.04 1.64 1.16 1noyB1 LEU 201 HD13 -0.54 -0.02 -0.04 -0.04 0.93 0.30 1noyB1 LEU 201 HD23 -0.66 0.00 -0.23 -0.04 0.89 -0.04 1noyB1 TRP 202 H 0.01 0.46 -0.11 -0.55 7.97 7.79 1noyB1 TRP 202 HA -0.22 0.14 0.18 -0.75 4.62 3.97 1noyB1 TRP 202 HB2 -0.36 0.06 0.05 -0.04 3.23 2.93 1noyB1 TRP 202 HB3 -0.15 0.08 -0.09 -0.04 3.23 3.03 1noyB1 TRP 202 HD1 -0.98 0.04 -0.06 -0.04 7.22 6.19 1noyB1 TRP 202 HE1 -0.24 -0.09 -0.11 -0.04 10.20 9.72 1noyB1 TRP 202 HE3 0.02 0.21 -0.02 -0.04 7.59 7.76 1noyB1 TRP 202 HZ2 -1.57 -0.10 -0.11 -0.04 7.44 5.62 1noyB1 TRP 202 HZ3 -0.12 0.02 -0.11 -0.04 7.13 6.87 1noyB1 TRP 202 HH2 -0.69 -0.09 -0.10 -0.04 7.19 6.27 1noyB1 GLU 203 H -0.04 0.33 -0.47 -0.55 8.60 7.88 1noyB1 GLU 203 HA -0.01 0.06 0.29 -0.75 4.29 3.87 1noyB1 GLU 203 HB2 -0.08 0.02 0.16 -0.04 2.09 2.15 1noyB1 GLU 203 HB3 -0.04 -0.06 -0.04 -0.04 1.99 1.80 1noyB1 GLU 203 HG2 -0.06 -0.03 -0.00 -0.04 2.34 2.20 1noyB1 GLU 203 HG3 -0.11 0.09 -0.05 -0.04 2.34 2.23 1noyB1 GLN 204 H -0.04 0.49 -0.18 -0.55 8.47 8.20 1noyB1 GLN 204 HA -0.02 -0.01 0.44 -0.75 4.36 4.02 1noyB1 GLN 204 HB2 -0.03 0.14 0.22 -0.04 2.15 2.44 1noyB1 GLN 204 HB3 -0.03 -0.06 -0.03 -0.04 2.02 1.87 1noyB1 GLN 204 HG2 0.01 -0.08 0.01 -0.04 2.40 2.30 1noyB1 GLN 204 HG3 -0.00 -0.04 0.07 -0.04 2.39 2.38 1noyB1 GLN 204 HE21 0.00 -0.05 -0.01 -0.04 6.97 6.87 1noyB1 GLN 204 HE22 0.01 -0.05 -0.02 -0.04 7.69 7.60 1noyB1 LYS 205 H -0.08 0.66 -0.40 -0.55 8.42 8.05 1noyB1 LYS 205 HA -0.05 0.07 0.68 -0.75 4.32 4.26 1noyB1 LYS 205 HB2 -0.09 -0.12 0.00 -0.04 1.87 1.62 1noyB1 LYS 205 HB3 -0.05 0.01 -0.06 -0.04 1.79 1.65 1noyB1 LYS 205 HG2 -0.13 0.09 -0.08 -0.04 1.46 1.29 1noyB1 LYS 205 HG3 -0.24 -0.07 -0.06 -0.04 1.46 1.05 1noyB1 LYS 205 HD2 -0.36 -0.05 -0.06 -0.04 1.69 1.17 1noyB1 LYS 205 HD3 -0.10 -0.09 -0.05 -0.04 1.68 1.40 1noyB1 LYS 205 HE2 -0.01 0.08 -0.12 -0.04 2.99 2.90 1noyB1 LYS 205 HE3 -0.03 -0.00 -0.12 -0.04 2.99 2.80 1noyB1 ARG 206 H -0.05 0.12 -0.06 -0.55 8.46 7.92 1noyB1 ARG 206 HA -0.12 0.10 0.47 -0.75 4.34 4.03 1noyB1 ARG 206 HB2 -0.00 0.09 0.11 -0.04 1.90 2.05 1noyB1 ARG 206 HB3 -0.02 -0.11 0.08 -0.04 1.80 1.71 1noyB1 ARG 206 HG2 0.04 -0.11 -0.03 -0.04 1.67 1.53 1noyB1 ARG 206 HG3 0.02 0.09 -0.07 -0.04 1.67 1.66 1noyB1 ARG 206 HD2 0.21 0.06 -0.01 -0.04 3.22 3.43 1noyB1 ARG 206 HD3 0.15 0.03 -0.02 -0.04 3.22 3.34 1noyB1 PRO 207 HA -0.10 0.03 0.58 -0.51 4.44 4.44 1noyB1 PRO 207 HB2 -0.13 -0.02 -0.23 -0.04 2.28 1.87 1noyB1 PRO 207 HB3 -0.25 -0.02 0.02 -0.04 2.02 1.72 1noyB1 PRO 207 HG2 -0.63 -0.02 -0.04 -0.04 2.03 1.30 1noyB1 PRO 207 HG3 -1.56 -0.05 -0.01 -0.04 2.03 0.36 1noyB1 PRO 207 HD2 -0.56 0.09 0.21 -0.04 3.68 3.38 1noyB1 PRO 207 HD3 -0.83 0.28 0.23 -0.04 3.65 3.28 1noyB1 ALA 208 H 0.01 0.63 0.38 -0.55 8.40 8.87 1noyB1 ALA 208 HA 0.11 0.13 0.68 -0.75 4.34 4.51 1noyB1 ALA 208 HB3 0.12 -0.03 0.16 -0.04 1.41 1.62 1noyB1 ILE 209 H 0.04 0.34 0.26 -0.55 8.25 8.34 1noyB1 ILE 209 HA 0.10 0.34 1.06 -0.75 4.18 4.93 1noyB1 ILE 209 HB -0.01 -0.09 0.11 -0.04 1.89 1.86 1noyB1 ILE 209 HG12 -0.18 0.03 -0.08 -0.04 1.49 1.22 1noyB1 ILE 209 HG13 -0.09 -0.04 -0.32 -0.04 1.21 0.72 1noyB1 ILE 209 HG23 0.01 -0.02 -0.16 -0.04 0.93 0.71 1noyB1 ILE 209 HD13 -0.41 -0.00 -0.06 -0.04 0.88 0.36 1noyB1 PHE 210 H 0.21 0.70 0.30 -0.55 8.34 8.98 1noyB1 PHE 210 HA -0.05 0.47 1.17 -0.75 4.62 5.46 1noyB1 PHE 210 HB2 -0.07 0.08 -0.04 -0.04 3.15 3.08 1noyB1 PHE 210 HB3 0.11 -0.13 0.15 -0.04 3.06 3.15 1noyB1 PHE 210 HD2 0.02 -0.00 -0.06 -0.04 7.28 7.19 1noyB1 PHE 210 HE2 0.05 -0.04 -0.22 -0.04 7.38 7.14 1noyB1 PHE 210 HZ 0.45 -0.06 -0.13 -0.04 7.32 7.53 1noyB1 THR 211 H -0.19 0.59 0.31 -0.55 8.28 8.43 1noyB1 THR 211 HA -0.04 0.31 0.99 -0.75 4.39 4.89 1noyB1 THR 211 HB 0.03 -0.06 -0.02 -0.04 4.32 4.24 1noyB1 THR 211 HG23 0.05 0.04 -0.14 -0.04 1.22 1.13 1noyB1 GLY 212 H 0.08 0.24 0.40 -0.55 8.43 8.61 1noyB1 GLY 212 HA2 0.01 0.14 0.45 -0.51 4.01 4.11 1noyB1 GLY 212 HA3 -0.05 0.18 0.55 -0.51 4.01 4.19 1noyB1 TRP 213 H 0.20 0.42 0.16 -0.55 7.97 8.21 1noyB1 TRP 213 HA 0.05 -0.01 0.96 -0.75 4.62 4.86 1noyB1 TRP 213 HB2 -0.04 0.06 0.04 -0.04 3.23 3.25 1noyB1 TRP 213 HB3 -0.03 0.05 0.23 -0.04 3.23 3.43 1noyB1 TRP 213 HD1 -0.02 -0.02 0.01 -0.04 7.22 7.14 1noyB1 TRP 213 HE1 0.03 0.47 0.03 -0.04 10.20 10.68 1noyB1 TRP 213 HE3 -0.01 -0.04 -0.10 -0.04 7.59 7.40 1noyB1 TRP 213 HZ2 -0.01 0.09 -0.07 -0.04 7.44 7.41 1noyB1 TRP 213 HZ3 0.12 0.06 -0.08 -0.04 7.13 7.19 1noyB1 TRP 213 HH2 -0.63 0.08 -0.04 -0.04 7.19 6.56 1noyB1 ASN 214 H -0.17 0.04 0.16 -0.55 8.53 8.01 1noyB1 ASN 214 HA -0.05 0.03 0.36 -0.75 4.76 4.35 1noyB1 ASN 214 HB2 0.05 0.03 -0.10 -0.04 2.88 2.81 1noyB1 ASN 214 HB3 0.10 0.19 0.26 -0.04 2.79 3.29 1noyB1 ASN 214 HD21 0.02 0.13 0.07 -0.04 7.03 7.20 1noyB1 ASN 214 HD22 -0.04 -0.02 0.09 -0.04 7.74 7.73 1noyB1 ILE 215 H 0.03 0.02 -0.31 -0.55 8.25 7.44 1noyB1 ILE 215 HA 0.11 0.04 0.35 -0.75 4.18 3.92 1noyB1 ILE 215 HB 0.10 0.11 -0.11 -0.04 1.89 1.95 1noyB1 ILE 215 HG12 -0.00 -0.22 -0.09 -0.04 1.49 1.13 1noyB1 ILE 215 HG13 0.04 -0.10 -0.05 -0.04 1.21 1.07 1noyB1 ILE 215 HG23 -0.07 0.03 -0.06 -0.04 0.93 0.79 1noyB1 ILE 215 HD13 -0.04 0.05 -0.35 -0.04 0.88 0.50 1noyB1 GLU 216 H 0.04 -0.05 -0.18 -0.55 8.60 7.86 1noyB1 GLU 216 HA 0.09 0.13 0.36 -0.75 4.29 4.12 1noyB1 GLU 216 HB2 0.01 -0.16 0.07 -0.04 2.09 1.97 1noyB1 GLU 216 HB3 0.04 0.15 -0.03 -0.04 1.99 2.10 1noyB1 GLU 216 HG2 0.07 0.11 0.03 -0.04 2.34 2.51 1noyB1 GLU 216 HG3 0.04 -0.17 0.01 -0.04 2.34 2.17 1noyB1 GLY 217 H 0.07 -0.10 -0.34 -0.55 8.43 7.51 1noyB1 GLY 217 HA2 0.10 0.17 0.47 -0.51 4.01 4.24 1noyB1 GLY 217 HA3 0.10 -0.05 0.30 -0.51 4.01 3.85 1noyB1 PHE 218 H 0.21 0.40 0.09 -0.55 8.34 8.49 1noyB1 PHE 218 HA 0.13 0.29 1.09 -0.75 4.62 5.37 1noyB1 PHE 218 HB2 -0.00 -0.01 -0.01 -0.04 3.15 3.08 1noyB1 PHE 218 HB3 0.01 -0.11 0.16 -0.04 3.06 3.09 1noyB1 PHE 218 HD2 0.08 -0.03 -0.04 -0.04 7.28 7.25 1noyB1 PHE 218 HE2 0.01 0.19 -0.09 -0.04 7.38 7.44 1noyB1 PHE 218 HZ -0.35 -0.02 -0.09 -0.04 7.32 6.82 1noyB1 ASP 219 H 0.27 0.07 0.12 -0.55 8.40 8.31 1noyB1 ASP 219 HA -0.09 0.03 0.39 -0.75 4.63 4.20 1noyB1 ASP 219 HB2 0.13 -0.11 0.22 -0.04 2.71 2.91 1noyB1 ASP 219 HB3 0.13 0.04 0.03 -0.04 2.70 2.86 1noyB1 VAL 220 H 0.10 0.35 0.02 -0.55 8.24 8.16 1noyB1 VAL 220 HA -0.03 -0.01 0.26 -0.75 4.13 3.60 1noyB1 VAL 220 HB 0.09 0.15 0.03 -0.04 2.12 2.36 1noyB1 VAL 220 HG13 0.02 0.00 -0.15 -0.04 0.97 0.80 1noyB1 VAL 220 HG23 0.27 -0.04 -0.11 -0.04 0.95 1.03 1noyB1 PRO 221 HA -0.15 -0.04 0.28 -0.51 4.44 4.02 1noyB1 PRO 221 HB2 0.03 0.05 -0.01 -0.04 2.28 2.31 1noyB1 PRO 221 HB3 0.13 0.02 -0.02 -0.04 2.02 2.10 1noyB1 PRO 221 HG2 0.11 0.27 0.07 -0.04 2.03 2.43 1noyB1 PRO 221 HG3 0.18 -0.16 0.12 -0.04 2.03 2.13 1noyB1 PRO 221 HD2 0.05 0.04 -0.59 -0.04 3.68 3.14 1noyB1 PRO 221 HD3 0.08 0.03 0.04 -0.04 3.65 3.76 1noyB1 TYR 222 H -0.12 0.58 -0.29 -0.55 8.29 7.91 1noyB1 TYR 222 HA -0.21 0.09 0.44 -0.75 4.56 4.13 1noyB1 TYR 222 HB2 -0.81 0.14 0.11 -0.04 3.06 2.46 1noyB1 TYR 222 HB3 -0.49 -0.01 0.09 -0.04 2.98 2.53 1noyB1 TYR 222 HD2 -0.25 0.01 -0.20 -0.04 7.15 6.67 1noyB1 TYR 222 HE2 0.04 0.04 -0.23 -0.04 6.85 6.67 1noyB1 ILE 223 H -0.10 0.64 0.05 -0.55 8.25 8.29 1noyB1 ILE 223 HA -0.04 -0.05 0.32 -0.75 4.18 3.65 1noyB1 ILE 223 HB -0.26 0.11 0.07 -0.04 1.89 1.77 1noyB1 ILE 223 HG12 -0.05 -0.07 -0.01 -0.04 1.49 1.32 1noyB1 ILE 223 HG13 -0.05 0.14 -0.01 -0.04 1.21 1.26 1noyB1 ILE 223 HG23 -0.24 -0.02 -0.14 -0.04 0.93 0.49 1noyB1 ILE 223 HD13 0.04 -0.02 -0.10 -0.04 0.88 0.76 1noyB1 MET 224 H -0.38 0.54 -0.31 -0.55 8.47 7.77 1noyB1 MET 224 HA -0.36 -0.01 0.38 -0.75 4.52 3.78 1noyB1 MET 224 HB2 -1.12 0.10 0.08 -0.04 2.15 1.18 1noyB1 MET 224 HB3 -1.06 -0.03 -0.11 -0.04 2.03 0.78 1noyB1 MET 224 HG2 -0.61 0.13 -0.12 -0.04 2.63 1.98 1noyB1 MET 224 HG3 -0.98 -0.05 -0.14 -0.04 2.56 1.35 1noyB1 MET 224 HE3 -1.14 -0.01 -0.13 -0.04 2.10 0.77 1noyB1 ASN 225 H -0.36 0.75 0.11 -0.55 8.53 8.49 1noyB1 ASN 225 HA -0.13 -0.05 0.36 -0.75 4.76 4.19 1noyB1 ASN 225 HB2 -0.29 0.16 0.09 -0.04 2.88 2.80 1noyB1 ASN 225 HB3 -0.18 0.03 -0.11 -0.04 2.79 2.49 1noyB1 ASN 225 HD21 0.12 -0.19 -0.04 -0.04 7.03 6.88 1noyB1 ASN 225 HD22 -0.10 0.29 -0.05 -0.04 7.74 7.84 1noyB1 ARG 226 H -0.27 0.52 -0.47 -0.55 8.46 7.69 1noyB1 ARG 226 HA -0.16 0.14 0.39 -0.75 4.34 3.96 1noyB1 ARG 226 HB2 -0.17 0.09 0.04 -0.04 1.90 1.82 1noyB1 ARG 226 HB3 -0.08 0.05 0.15 -0.04 1.80 1.88 1noyB1 ARG 226 HG2 0.04 -0.10 -0.08 -0.04 1.67 1.49 1noyB1 ARG 226 HG3 -0.01 -0.09 -0.28 -0.04 1.67 1.25 1noyB1 ARG 226 HD2 0.24 0.04 -0.11 -0.04 3.22 3.35 1noyB1 ARG 226 HD3 0.10 -0.20 -0.09 -0.04 3.22 2.99 1noyB1 VAL 227 H -0.09 0.62 0.05 -0.55 8.24 8.28 1noyB1 VAL 227 HA -0.03 -0.15 0.31 -0.75 4.13 3.51 1noyB1 VAL 227 HB -0.01 0.12 0.07 -0.04 2.12 2.25 1noyB1 VAL 227 HG13 -0.02 -0.02 -0.16 -0.04 0.97 0.73 1noyB1 VAL 227 HG23 0.04 0.04 0.06 -0.04 0.95 1.05 1noyB1 LYS 228 H -0.09 0.54 -0.66 -0.55 8.42 7.66 1noyB1 LYS 228 HA -0.04 -0.10 0.13 -0.75 4.32 3.56 1noyB1 LYS 228 HB2 -0.06 -0.00 -0.04 -0.04 1.87 1.73 1noyB1 LYS 228 HB3 -0.07 0.19 0.12 -0.04 1.79 1.99 1noyB1 LYS 228 HG2 -0.02 0.06 -0.19 -0.04 1.46 1.27 1noyB1 LYS 228 HG3 -0.01 -0.16 -0.06 -0.04 1.46 1.19 1noyB1 LYS 228 HD2 0.03 -0.05 -0.08 -0.04 1.69 1.56 1noyB1 LYS 228 HD3 0.01 0.06 -0.04 -0.04 1.68 1.66 1noyB1 LYS 228 HE2 0.01 -0.06 -0.02 -0.04 2.99 2.87 1noyB1 LYS 228 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 1noyB1 MET 229 H -0.07 0.71 0.05 -0.55 8.47 8.62 1noyB1 MET 229 HA -0.04 -0.06 0.33 -0.75 4.52 4.00 1noyB1 MET 229 HB2 -0.07 0.08 0.20 -0.04 2.15 2.31 1noyB1 MET 229 HB3 -0.07 0.06 0.20 -0.04 2.03 2.19 1noyB1 MET 229 HG2 -0.03 -0.07 -0.02 -0.04 2.63 2.46 1noyB1 MET 229 HG3 -0.04 -0.08 0.09 -0.04 2.56 2.49 1noyB1 MET 229 HE3 -0.06 -0.04 0.00 -0.04 2.10 1.96 1noyB1 ILE 230 H -0.04 0.45 -0.47 -0.55 8.25 7.64 1noyB1 ILE 230 HA -0.01 0.16 0.89 -0.75 4.18 4.46 1noyB1 ILE 230 HB -0.02 -0.09 0.08 -0.04 1.89 1.83 1noyB1 ILE 230 HG12 0.00 0.01 -0.07 -0.04 1.49 1.39 1noyB1 ILE 230 HG13 -0.02 0.14 -0.14 -0.04 1.21 1.15 1noyB1 ILE 230 HG23 -0.00 -0.03 -0.05 -0.04 0.93 0.81 1noyB1 ILE 230 HD13 0.02 -0.05 -0.09 -0.04 0.88 0.72 1noyB1 LEU 231 H -0.02 0.01 0.13 -0.55 8.37 7.95 1noyB1 LEU 231 HA -0.02 -0.03 0.31 -0.75 4.35 3.85 1noyB1 LEU 231 HB2 -0.04 0.04 0.18 -0.04 1.64 1.78 1noyB1 LEU 231 HB3 -0.04 -0.03 0.15 -0.04 1.64 1.67 1noyB1 LEU 231 HG -0.03 0.01 0.06 -0.04 1.64 1.64 1noyB1 LEU 231 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.89 1noyB1 LEU 231 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.72 1noyB1 GLY 232 H -0.03 0.23 -0.88 -0.55 8.43 7.21 1noyB1 GLY 232 HA2 -0.02 0.21 0.39 -0.51 4.01 4.08 1noyB1 GLY 232 HA3 -0.02 0.02 0.37 -0.51 4.01 3.88 1noyB1 GLU 233 H -0.01 0.18 0.13 -0.55 8.60 8.35 1noyB1 GLU 233 HA -0.01 -0.11 0.51 -0.75 4.29 3.92 1noyB1 GLU 233 HB2 -0.00 0.02 0.12 -0.04 2.09 2.19 1noyB1 GLU 233 HB3 -0.01 0.03 0.22 -0.04 1.99 2.19 1noyB1 GLU 233 HG2 -0.00 0.04 -0.17 -0.04 2.34 2.17 1noyB1 GLU 233 HG3 0.00 -0.05 -0.01 -0.04 2.34 2.24 1noyB1 ARG 234 H -0.02 -0.14 0.24 -0.55 8.46 7.98 1noyB1 ARG 234 HA -0.02 0.05 0.25 -0.75 4.34 3.87 1noyB1 ARG 234 HB2 -0.03 -0.03 0.12 -0.04 1.90 1.92 1noyB1 ARG 234 HB3 -0.02 0.35 0.55 -0.04 1.80 2.64 1noyB1 ARG 234 HG2 -0.03 0.08 -0.37 -0.04 1.67 1.31 1noyB1 ARG 234 HG3 -0.04 -0.01 -0.34 -0.04 1.67 1.24 1noyB1 ARG 234 HD2 -0.02 -0.03 -0.01 -0.04 3.22 3.11 1noyB1 ARG 234 HD3 -0.02 0.01 -0.05 -0.04 3.22 3.12 1noyB1 SER 235 H -0.04 0.61 0.13 -0.55 8.46 8.61 1noyB1 SER 235 HA -0.11 0.15 0.55 -0.75 4.49 4.32 1noyB1 SER 235 HB2 -0.05 0.09 0.01 -0.04 3.95 3.95 1noyB1 SER 235 HB3 -0.10 -0.07 0.02 -0.04 3.93 3.74 1noyB1 MET 236 H -0.02 0.17 0.05 -0.55 8.47 8.12 1noyB1 MET 236 HA 0.14 0.10 0.28 -0.75 4.52 4.28 1noyB1 MET 236 HB2 -0.02 0.09 -0.06 -0.04 2.15 2.12 1noyB1 MET 236 HB3 0.01 -0.08 0.02 -0.04 2.03 1.93 1noyB1 MET 236 HG2 0.01 -0.02 -0.16 -0.04 2.63 2.42 1noyB1 MET 236 HG3 -0.11 0.01 -0.03 -0.04 2.56 2.39 1noyB1 MET 236 HE3 -0.17 0.06 -0.24 -0.04 2.10 1.71 1noyB1 LYS 237 H -0.01 -0.01 -0.56 -0.55 8.42 7.28 1noyB1 LYS 237 HA 0.04 0.00 0.37 -0.75 4.32 3.98 1noyB1 LYS 237 HB2 -0.01 0.03 -0.08 -0.04 1.87 1.76 1noyB1 LYS 237 HB3 -0.00 0.17 -0.12 -0.04 1.79 1.79 1noyB1 LYS 237 HG2 0.01 0.33 0.12 -0.04 1.46 1.88 1noyB1 LYS 237 HG3 0.02 -0.25 -0.01 -0.04 1.46 1.19 1noyB1 LYS 237 HD2 0.01 -0.16 -0.07 -0.04 1.69 1.43 1noyB1 LYS 237 HD3 -0.00 0.02 -0.08 -0.04 1.68 1.58 1noyB1 LYS 237 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.90 1noyB1 LYS 237 HE3 0.00 0.09 0.00 -0.04 2.99 3.04 1noyB1 ARG 238 H -0.12 0.41 -0.60 -0.55 8.46 7.60 1noyB1 ARG 238 HA -0.10 0.11 0.37 -0.75 4.34 3.97 1noyB1 ARG 238 HB2 -0.42 0.08 0.04 -0.04 1.90 1.56 1noyB1 ARG 238 HB3 -0.24 -0.02 -0.00 -0.04 1.80 1.50 1noyB1 ARG 238 HG2 -0.11 0.12 0.11 -0.04 1.67 1.75 1noyB1 ARG 238 HG3 -0.17 -0.11 0.16 -0.04 1.67 1.50 1noyB1 ARG 238 HD2 -0.11 0.02 0.00 -0.04 3.22 3.10 1noyB1 ARG 238 HD3 -0.08 0.00 -0.01 -0.04 3.22 3.09 1noyB1 PHE 239 H -0.08 0.15 -0.48 -0.55 8.34 7.39 1noyB1 PHE 239 HA -0.12 0.07 0.29 -0.75 4.62 4.10 1noyB1 PHE 239 HB2 -0.24 0.13 0.02 -0.04 3.15 3.02 1noyB1 PHE 239 HB3 -0.38 -0.06 -0.15 -0.04 3.06 2.44 1noyB1 PHE 239 HD2 -1.07 0.13 -0.00 -0.04 7.28 6.30 1noyB1 PHE 239 HE2 -1.13 -0.03 -0.14 -0.04 7.38 6.05 1noyB1 PHE 239 HZ -0.40 -0.07 -0.12 -0.04 7.32 6.70 1noyB1 SER 240 H 0.10 0.07 -0.34 -0.55 8.46 7.75 1noyB1 SER 240 HA 0.13 0.16 0.48 -0.75 4.49 4.51 1noyB1 SER 240 HB2 0.08 -0.08 -0.00 -0.04 3.95 3.91 1noyB1 SER 240 HB3 0.05 -0.02 -0.03 -0.04 3.93 3.89 1noyB1 PRO 241 HA 0.03 0.17 0.37 -0.51 4.44 4.50 1noyB1 PRO 241 HB2 0.03 -0.08 0.02 -0.04 2.28 2.21 1noyB1 PRO 241 HB3 0.03 0.03 0.04 -0.04 2.02 2.08 1noyB1 PRO 241 HG2 0.06 0.04 0.01 -0.04 2.03 2.10 1noyB1 PRO 241 HG3 0.08 0.13 0.00 -0.04 2.03 2.20 1noyB1 PRO 241 HD2 0.08 0.15 0.26 -0.04 3.68 4.13 1noyB1 PRO 241 HD3 0.14 0.27 0.20 -0.04 3.65 4.22 1noyB1 ILE 242 H 0.03 0.21 -0.20 -0.55 8.25 7.75 1noyB1 ILE 242 HA 0.00 0.15 0.53 -0.75 4.18 4.11 1noyB1 ILE 242 HB -0.01 -0.02 0.05 -0.04 1.89 1.87 1noyB1 ILE 242 HG12 0.02 0.21 -0.11 -0.04 1.49 1.56 1noyB1 ILE 242 HG13 0.01 -0.05 -0.32 -0.04 1.21 0.81 1noyB1 ILE 242 HG23 -0.00 -0.00 -0.11 -0.04 0.93 0.78 1noyB1 ILE 242 HD13 -0.01 -0.03 -0.12 -0.04 0.88 0.68 1noyB1 GLY 243 H 0.02 0.36 -0.58 -0.55 8.43 7.69 1noyB1 GLY 243 HA2 -0.00 0.16 0.21 -0.51 4.01 3.87 1noyB1 GLY 243 HA3 -0.00 0.15 0.69 -0.51 4.01 4.33 1noyB1 ARG 244 H 0.02 0.12 -0.02 -0.55 8.46 8.03 1noyB1 ARG 244 HA 0.02 0.08 0.55 -0.75 4.34 4.24 1noyB1 ARG 244 HB2 0.00 0.13 -0.34 -0.04 1.90 1.66 1noyB1 ARG 244 HB3 0.01 -0.06 -0.10 -0.04 1.80 1.61 1noyB1 ARG 244 HG2 0.01 -0.05 -0.18 -0.04 1.67 1.41 1noyB1 ARG 244 HG3 0.02 -0.10 0.09 -0.04 1.67 1.64 1noyB1 ARG 244 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.14 1noyB1 ARG 244 HD3 0.00 0.08 0.02 -0.04 3.22 3.29 1noyB1 VAL 245 H 0.05 0.23 0.10 -0.55 8.24 8.06 1noyB1 VAL 245 HA 0.07 0.34 1.09 -0.75 4.13 4.88 1noyB1 VAL 245 HB 0.11 -0.06 0.03 -0.04 2.12 2.16 1noyB1 VAL 245 HG13 0.24 0.01 -0.19 -0.04 0.97 0.99 1noyB1 VAL 245 HG23 0.06 0.02 -0.13 -0.04 0.95 0.86 1noyB1 LYS 246 H 0.03 0.34 0.27 -0.55 8.42 8.51 1noyB1 LYS 246 HA -0.05 0.21 0.90 -0.75 4.32 4.62 1noyB1 LYS 246 HB2 -0.04 -0.03 0.05 -0.04 1.87 1.82 1noyB1 LYS 246 HB3 -0.07 -0.01 0.12 -0.04 1.79 1.79 1noyB1 LYS 246 HG2 -0.03 0.03 0.00 -0.04 1.46 1.42 1noyB1 LYS 246 HG3 -0.01 -0.01 -0.20 -0.04 1.46 1.20 1noyB1 LYS 246 HD2 -0.01 0.02 -0.08 -0.04 1.69 1.58 1noyB1 LYS 246 HD3 -0.01 -0.01 -0.05 -0.04 1.68 1.57 1noyB1 LYS 246 HE2 -0.02 0.02 -0.02 -0.04 2.99 2.93 1noyB1 LYS 246 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 1noyB1 SER 247 H -0.18 0.29 0.20 -0.55 8.46 8.23 1noyB1 SER 247 HA -0.36 0.29 0.77 -0.75 4.49 4.44 1noyB1 SER 247 HB2 -0.72 0.02 -0.16 -0.04 3.95 3.05 1noyB1 SER 247 HB3 -1.67 0.03 -0.32 -0.04 3.93 1.93 1noyB1 LYS 248 H -0.16 0.42 0.25 -0.55 8.42 8.38 1noyB1 LYS 248 HA -0.08 0.13 0.87 -0.75 4.32 4.49 1noyB1 LYS 248 HB2 -0.06 -0.02 0.26 -0.04 1.87 2.00 1noyB1 LYS 248 HB3 -0.04 0.03 0.09 -0.04 1.79 1.83 1noyB1 LYS 248 HG2 -0.04 0.04 0.02 -0.04 1.46 1.43 1noyB1 LYS 248 HG3 -0.06 -0.03 -0.07 -0.04 1.46 1.27 1noyB1 LYS 248 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.61 1noyB1 LYS 248 HD3 -0.03 0.01 0.01 -0.04 1.68 1.64 1noyB1 LYS 248 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 1noyB1 LYS 248 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1noyB1 LEU 249 H -0.07 0.25 0.04 -0.55 8.37 8.04 1noyB1 LEU 249 HA -0.04 0.31 0.80 -0.75 4.35 4.67 1noyB1 LEU 249 HB2 -0.07 -0.02 -0.17 -0.04 1.64 1.34 1noyB1 LEU 249 HB3 -0.05 0.01 0.03 -0.04 1.64 1.59 1noyB1 LEU 249 HG -0.03 -0.01 0.05 -0.04 1.64 1.61 1noyB1 LEU 249 HD13 -0.02 -0.00 -0.06 -0.04 0.93 0.80 1noyB1 LEU 249 HD23 -0.02 -0.00 -0.02 -0.04 0.89 0.80 1noyB1 SER 256 HA -0.00 -0.00 0.57 -0.75 4.49 4.31 1noyB1 LYS 257 H 0.02 0.15 0.11 -0.55 8.42 8.15 1noyB1 LYS 257 HA 0.05 -0.07 0.40 -0.75 4.32 3.94 1noyB1 LYS 257 HB2 0.05 -0.03 0.19 -0.04 1.87 2.03 1noyB1 LYS 257 HB3 0.07 0.07 0.01 -0.04 1.79 1.90 1noyB1 LYS 257 HG2 0.13 -0.00 0.11 -0.04 1.46 1.65 1noyB1 LYS 257 HG3 0.10 -0.01 0.10 -0.04 1.46 1.60 1noyB1 LYS 257 HD2 0.14 0.08 0.07 -0.04 1.69 1.95 1noyB1 LYS 257 HD3 0.23 -0.06 0.04 -0.04 1.68 1.85 1noyB1 LYS 257 HE2 0.10 -0.00 0.04 -0.04 2.99 3.09 1noyB1 LYS 257 HE3 0.07 0.04 0.04 -0.04 2.99 3.09 1noyB1 GLU 258 H 0.04 0.02 0.23 -0.55 8.60 8.35 1noyB1 GLU 258 HA -0.02 0.34 0.88 -0.75 4.29 4.73 1noyB1 GLU 258 HB2 -0.08 -0.04 -0.14 -0.04 2.09 1.79 1noyB1 GLU 258 HB3 -0.02 0.04 0.05 -0.04 1.99 2.03 1noyB1 GLU 258 HG2 0.06 -0.07 0.03 -0.04 2.34 2.32 1noyB1 GLU 258 HG3 0.09 -0.04 -0.33 -0.04 2.34 2.02 1noyB1 ILE 259 H -0.07 0.23 0.26 -0.55 8.25 8.12 1noyB1 ILE 259 HA 0.08 0.26 1.01 -0.75 4.18 4.77 1noyB1 ILE 259 HB 0.03 0.01 0.07 -0.04 1.89 1.96 1noyB1 ILE 259 HG12 -0.04 -0.13 0.09 -0.04 1.49 1.37 1noyB1 ILE 259 HG13 -0.01 0.00 -0.02 -0.04 1.21 1.15 1noyB1 ILE 259 HG23 0.03 0.04 -0.19 -0.04 0.93 0.77 1noyB1 ILE 259 HD13 -0.02 0.02 0.08 -0.04 0.88 0.92 1noyB1 TYR 260 H 0.19 0.14 0.14 -0.55 8.29 8.22 1noyB1 TYR 260 HA -0.01 0.32 1.08 -0.75 4.56 5.19 1noyB1 TYR 260 HB2 -0.04 -0.08 -0.05 -0.04 3.06 2.86 1noyB1 TYR 260 HB3 -0.05 0.00 -0.18 -0.04 2.98 2.71 1noyB1 TYR 260 HD2 -0.05 -0.02 -0.19 -0.04 7.15 6.85 1noyB1 TYR 260 HE2 -0.05 0.04 -0.18 -0.04 6.85 6.61 1noyB1 SER 261 H 0.06 0.71 0.21 -0.55 8.46 8.89 1noyB1 SER 261 HA 0.08 0.14 0.89 -0.75 4.49 4.85 1noyB1 SER 261 HB2 0.01 0.05 -0.15 -0.04 3.95 3.81 1noyB1 SER 261 HB3 -0.01 -0.08 0.07 -0.04 3.93 3.87 1noyB1 ILE 262 H 0.11 0.24 0.06 -0.55 8.25 8.10 1noyB1 ILE 262 HA 0.09 0.15 0.86 -0.75 4.18 4.52 1noyB1 ILE 262 HB 0.16 -0.01 0.10 -0.04 1.89 2.11 1noyB1 ILE 262 HG12 -0.12 0.05 -0.15 -0.04 1.49 1.23 1noyB1 ILE 262 HG13 0.00 0.03 -0.12 -0.04 1.21 1.08 1noyB1 ILE 262 HG23 0.22 0.00 -0.32 -0.04 0.93 0.79 1noyB1 ILE 262 HD13 -0.01 -0.04 -0.26 -0.04 0.88 0.52 1noyB1 ASP 263 H 0.06 0.40 0.15 -0.55 8.40 8.45 1noyB1 ASP 263 HA 0.05 -0.00 0.48 -0.75 4.63 4.40 1noyB1 ASP 263 HB2 0.03 0.08 0.18 -0.04 2.71 2.96 1noyB1 ASP 263 HB3 0.01 -0.01 -0.03 -0.04 2.70 2.63 1noyB1 GLY 264 H 0.05 0.13 0.15 -0.55 8.43 8.22 1noyB1 GLY 264 HA2 0.04 -0.06 0.30 -0.51 4.01 3.78 1noyB1 GLY 264 HA3 0.06 0.18 0.88 -0.51 4.01 4.61 1noyB1 VAL 265 H 0.11 0.40 -0.01 -0.55 8.24 8.19 1noyB1 VAL 265 HA 0.12 0.31 0.96 -0.75 4.13 4.77 1noyB1 VAL 265 HB 0.21 -0.09 -0.03 -0.04 2.12 2.17 1noyB1 VAL 265 HG13 0.07 0.02 -0.31 -0.04 0.97 0.71 1noyB1 VAL 265 HG23 0.13 0.06 -0.19 -0.04 0.95 0.91 1noyB1 SER 266 H 0.19 0.58 0.27 -0.55 8.46 8.95 1noyB1 SER 266 HA 0.15 0.04 0.76 -0.75 4.49 4.70 1noyB1 SER 266 HB2 0.31 0.16 0.24 -0.04 3.95 4.63 1noyB1 SER 266 HB3 0.22 -0.07 -0.06 -0.04 3.93 3.98 1noyB1 ILE 267 H 0.14 0.21 0.19 -0.55 8.25 8.23 1noyB1 ILE 267 HA 0.22 0.23 0.94 -0.75 4.18 4.81 1noyB1 ILE 267 HB 0.14 -0.01 0.22 -0.04 1.89 2.21 1noyB1 ILE 267 HG12 0.37 0.04 -0.07 -0.04 1.49 1.78 1noyB1 ILE 267 HG13 0.21 0.13 -0.11 -0.04 1.21 1.40 1noyB1 ILE 267 HG23 0.19 -0.02 -0.10 -0.04 0.93 0.95 1noyB1 ILE 267 HD13 0.19 -0.01 -0.03 -0.04 0.88 1.00 1noyB1 LEU 268 H 0.08 0.50 0.05 -0.55 8.37 8.45 1noyB1 LEU 268 HA 0.03 0.17 0.89 -0.75 4.35 4.68 1noyB1 LEU 268 HB2 0.03 0.02 -0.01 -0.04 1.64 1.64 1noyB1 LEU 268 HB3 -0.01 -0.05 -0.05 -0.04 1.64 1.49 1noyB1 LEU 268 HG 0.01 0.03 -0.07 -0.04 1.64 1.56 1noyB1 LEU 268 HD13 0.08 0.06 -0.39 -0.04 0.93 0.64 1noyB1 LEU 268 HD23 -0.04 0.02 -0.11 -0.04 0.89 0.72 1noyB1 ASP 269 H -0.01 0.24 0.05 -0.55 8.40 8.14 1noyB1 ASP 269 HA -0.01 -0.01 0.58 -0.75 4.63 4.43 1noyB1 ASP 269 HB2 -0.02 0.13 0.15 -0.04 2.71 2.93 1noyB1 ASP 269 HB3 -0.09 0.05 0.20 -0.04 2.70 2.82 1noyB1 TYR 270 H 0.08 0.38 0.46 -0.55 8.29 8.67 1noyB1 TYR 270 HA -0.00 0.13 0.44 -0.75 4.56 4.38 1noyB1 TYR 270 HB2 0.07 -0.08 0.31 -0.04 3.06 3.33 1noyB1 TYR 270 HB3 0.16 -0.00 0.09 -0.04 2.98 3.19 1noyB1 TYR 270 HD2 0.25 -0.01 -0.01 -0.04 7.15 7.34 1noyB1 TYR 270 HE2 0.30 0.03 -0.07 -0.04 6.85 7.07 1noyB1 LEU 271 H -0.45 -0.08 0.01 -0.55 8.37 7.31 1noyB1 LEU 271 HA -1.59 0.17 0.53 -0.75 4.35 2.70 1noyB1 LEU 271 HB2 -1.40 -0.10 0.21 -0.04 1.64 0.31 1noyB1 LEU 271 HB3 -0.50 -0.12 0.17 -0.04 1.64 1.15 1noyB1 LEU 271 HG -0.35 0.08 -0.12 -0.04 1.64 1.20 1noyB1 LEU 271 HD13 -0.35 0.02 0.11 -0.04 0.93 0.67 1noyB1 LEU 271 HD23 -0.19 -0.00 0.03 -0.04 0.89 0.68 1noyB1 ASP 272 H -0.27 0.03 -0.21 -0.55 8.40 7.41 1noyB1 ASP 272 HA -0.23 0.10 0.42 -0.75 4.63 4.17 1noyB1 ASP 272 HB2 -0.15 0.15 0.17 -0.04 2.71 2.83 1noyB1 ASP 272 HB3 -0.17 0.11 0.03 -0.04 2.70 2.64 1noyB1 LEU 273 H -0.22 0.31 -0.08 -0.55 8.37 7.84 1noyB1 LEU 273 HA -0.26 0.11 0.37 -0.75 4.35 3.81 1noyB1 LEU 273 HB2 -0.42 0.01 0.08 -0.04 1.64 1.26 1noyB1 LEU 273 HB3 -0.23 0.02 -0.09 -0.04 1.64 1.30 1noyB1 LEU 273 HG -0.16 0.05 -0.13 -0.04 1.64 1.36 1noyB1 LEU 273 HD13 -0.32 -0.02 -0.15 -0.04 0.93 0.39 1noyB1 LEU 273 HD23 -0.01 0.02 -0.06 -0.04 0.89 0.81 1noyB1 TYR 274 H -0.05 0.41 -0.35 -0.55 8.29 7.74 1noyB1 TYR 274 HA 0.28 0.06 0.51 -0.75 4.56 4.66 1noyB1 TYR 274 HB2 0.38 0.03 0.13 -0.04 3.06 3.55 1noyB1 TYR 274 HB3 0.01 0.05 0.17 -0.04 2.98 3.17 1noyB1 TYR 274 HD2 0.56 -0.00 -0.10 -0.04 7.15 7.57 1noyB1 TYR 274 HE2 0.41 0.04 -0.05 -0.04 6.85 7.21 1noyB1 LYS 275 H -0.12 0.50 0.02 -0.55 8.42 8.26 1noyB1 LYS 275 HA -0.26 0.03 0.49 -0.75 4.32 3.82 1noyB1 LYS 275 HB2 -0.29 0.04 0.19 -0.04 1.87 1.77 1noyB1 LYS 275 HB3 -0.35 0.01 0.09 -0.04 1.79 1.49 1noyB1 LYS 275 HG2 -0.68 -0.03 0.06 -0.04 1.46 0.76 1noyB1 LYS 275 HG3 -0.33 0.08 0.09 -0.04 1.46 1.27 1noyB1 LYS 275 HD2 -0.49 0.05 0.03 -0.04 1.69 1.23 1noyB1 LYS 275 HD3 -1.00 -0.03 0.01 -0.04 1.68 0.62 1noyB1 LYS 275 HE2 -0.22 0.01 -0.01 -0.04 2.99 2.73 1noyB1 LYS 275 HE3 -0.24 -0.09 -0.02 -0.04 2.99 2.61 1noyB1 LYS 276 H -0.38 0.34 -0.33 -0.55 8.42 7.50 1noyB1 LYS 276 HA -0.39 0.11 0.44 -0.75 4.32 3.74 1noyB1 LYS 276 HB2 -0.48 -0.03 0.08 -0.04 1.87 1.40 1noyB1 LYS 276 HB3 -1.00 -0.01 0.10 -0.04 1.79 0.83 1noyB1 LYS 276 HG2 -1.59 0.03 -0.09 -0.04 1.46 -0.23 1noyB1 LYS 276 HG3 -0.51 -0.01 0.10 -0.04 1.46 0.99 1noyB1 LYS 276 HD2 -0.43 -0.08 0.02 -0.04 1.69 1.16 1noyB1 LYS 276 HD3 -0.35 0.05 0.03 -0.04 1.68 1.37 1noyB1 LYS 276 HE2 -0.26 -0.07 0.02 -0.04 2.99 2.65 1noyB1 LYS 276 HE3 -0.18 0.10 0.08 -0.04 2.99 2.95 1noyB1 PHE 277 H -0.51 0.40 -0.04 -0.55 8.34 7.63 1noyB1 PHE 277 HA -0.19 0.27 1.04 -0.75 4.62 4.98 1noyB1 PHE 277 HB2 -1.41 0.02 0.08 -0.04 3.15 1.79 1noyB1 PHE 277 HB3 -0.55 0.00 0.11 -0.04 3.06 2.59 1noyB1 PHE 277 HD2 -0.35 0.02 -0.01 -0.04 7.28 6.90 1noyB1 PHE 277 HE2 -0.14 -0.03 -0.08 -0.04 7.38 7.08 1noyB1 PHE 277 HZ -0.11 0.19 -0.08 -0.04 7.32 7.29 1noyB1 ALA 278 H -0.23 0.44 0.01 -0.55 8.40 8.07 1noyB1 ALA 278 HA 0.34 0.10 0.45 -0.75 4.34 4.48 1noyB1 ALA 278 HB3 -0.57 -0.04 0.08 -0.04 1.41 0.85 1noyB1 PHE 279 H -0.00 0.15 -0.09 -0.55 8.34 7.84 1noyB1 PHE 279 HA -0.02 0.03 0.25 -0.75 4.62 4.13 1noyB1 PHE 279 HB2 0.01 0.06 -0.41 -0.04 3.15 2.77 1noyB1 PHE 279 HB3 0.03 0.05 0.22 -0.04 3.06 3.32 1noyB1 PHE 279 HD2 -0.01 0.03 0.00 -0.04 7.28 7.26 1noyB1 PHE 279 HE2 -0.01 -0.02 -0.01 -0.04 7.38 7.30 1noyB1 PHE 279 HZ -0.01 -0.03 -0.01 -0.04 7.32 7.22 1noyB1 THR 280 H -0.02 0.11 -0.05 -0.55 8.28 7.77 1noyB1 THR 280 HA 0.05 0.21 0.84 -0.75 4.39 4.74 1noyB1 THR 280 HB -0.05 -0.02 -0.12 -0.04 4.32 4.10 1noyB1 THR 280 HG23 0.19 0.05 -0.20 -0.04 1.22 1.21 1noyB1 ASN 281 H -0.02 0.22 0.00 -0.55 8.53 8.18 1noyB1 ASN 281 HA 0.01 0.17 0.72 -0.75 4.76 4.91 1noyB1 ASN 281 HB2 -0.02 -0.01 0.20 -0.04 2.88 3.01 1noyB1 ASN 281 HB3 -0.03 0.01 0.06 -0.04 2.79 2.79 1noyB1 ASN 281 HD21 -0.14 0.03 -0.10 -0.04 7.03 6.78 1noyB1 ASN 281 HD22 -0.08 -0.00 -0.07 -0.04 7.74 7.55 1noyB1 LEU 282 H -0.11 0.27 -0.14 -0.55 8.37 7.85 1noyB1 LEU 282 HA -0.20 0.20 0.77 -0.75 4.35 4.37 1noyB1 LEU 282 HB2 -0.86 0.00 -0.03 -0.04 1.64 0.71 1noyB1 LEU 282 HB3 -0.41 -0.04 0.04 -0.04 1.64 1.19 1noyB1 LEU 282 HG -0.26 -0.05 -0.19 -0.04 1.64 1.11 1noyB1 LEU 282 HD13 -0.21 -0.00 -0.09 -0.04 0.93 0.59 1noyB1 LEU 282 HD23 -0.60 0.03 -0.08 -0.04 0.89 0.20 1noyB1 PRO 283 HA -0.06 0.13 0.41 -0.51 4.44 4.41 1noyB1 PRO 283 HB2 -0.05 -0.01 0.07 -0.04 2.28 2.25 1noyB1 PRO 283 HB3 -0.05 0.05 0.09 -0.04 2.02 2.07 1noyB1 PRO 283 HG2 -0.10 -0.03 0.04 -0.04 2.03 1.91 1noyB1 PRO 283 HG3 -0.06 0.05 0.07 -0.04 2.03 2.05 1noyB1 PRO 283 HD2 -0.15 0.09 0.23 -0.04 3.68 3.80 1noyB1 PRO 283 HD3 -0.09 0.20 0.19 -0.04 3.65 3.91 1noyB1 SER 284 H -0.32 0.21 -0.34 -0.55 8.46 7.47 1noyB1 SER 284 HA -0.03 0.16 0.74 -0.75 4.49 4.61 1noyB1 SER 284 HB2 -0.04 0.14 -0.13 -0.04 3.95 3.89 1noyB1 SER 284 HB3 -0.10 0.02 -0.08 -0.04 3.93 3.73 1noyB1 PHE 285 H 0.19 0.17 0.04 -0.55 8.34 8.20 1noyB1 PHE 285 HA 0.15 0.27 0.91 -0.75 4.62 5.20 1noyB1 PHE 285 HB2 0.13 -0.00 0.07 -0.04 3.15 3.30 1noyB1 PHE 285 HB3 0.28 -0.04 0.17 -0.04 3.06 3.42 1noyB1 PHE 285 HD2 0.24 -0.05 -0.08 -0.04 7.28 7.34 1noyB1 PHE 285 HE2 0.15 0.05 -0.05 -0.04 7.38 7.49 1noyB1 PHE 285 HZ 0.01 0.15 0.07 -0.04 7.32 7.51 1noyB1 SER 286 H 0.05 0.09 -0.13 -0.55 8.46 7.92 1noyB1 SER 286 HA 0.17 0.14 0.60 -0.75 4.49 4.64 1noyB1 SER 286 HB2 -0.05 0.00 0.08 -0.04 3.95 3.95 1noyB1 SER 286 HB3 0.01 0.11 0.10 -0.04 3.93 4.12 1noyB1 LEU 287 H -0.22 0.18 0.14 -0.55 8.37 7.92 1noyB1 LEU 287 HA -1.52 0.10 0.31 -0.75 4.35 2.48 1noyB1 LEU 287 HB2 -0.56 -0.00 0.17 -0.04 1.64 1.21 1noyB1 LEU 287 HB3 -0.43 0.04 0.01 -0.04 1.64 1.22 1noyB1 LEU 287 HG -0.93 -0.06 0.04 -0.04 1.64 0.65 1noyB1 LEU 287 HD13 -0.24 0.06 0.01 -0.04 0.93 0.72 1noyB1 LEU 287 HD23 -0.80 0.01 -0.06 -0.04 0.89 0.00 1noyB1 GLU 288 H -0.24 0.06 -0.23 -0.55 8.60 7.64 1noyB1 GLU 288 HA -0.22 0.12 0.31 -0.75 4.29 3.75 1noyB1 GLU 288 HB2 -0.12 -0.07 -0.00 -0.04 2.09 1.85 1noyB1 GLU 288 HB3 -0.11 0.10 -0.07 -0.04 1.99 1.87 1noyB1 GLU 288 HG2 -0.13 0.07 -0.03 -0.04 2.34 2.21 1noyB1 GLU 288 HG3 -0.19 0.07 -0.04 -0.04 2.34 2.13 1noyB1 SER 289 H -0.15 0.01 -0.36 -0.55 8.46 7.41 1noyB1 SER 289 HA -0.09 0.10 0.37 -0.75 4.49 4.11 1noyB1 SER 289 HB2 -0.09 -0.11 -0.00 -0.04 3.95 3.71 1noyB1 SER 289 HB3 -0.11 0.07 -0.03 -0.04 3.93 3.83 1noyB1 VAL 290 H -0.25 0.36 -0.18 -0.55 8.24 7.62 1noyB1 VAL 290 HA -0.07 0.11 0.35 -0.75 4.13 3.76 1noyB1 VAL 290 HB -0.71 -0.02 0.05 -0.04 2.12 1.40 1noyB1 VAL 290 HG13 -0.53 0.00 -0.12 -0.04 0.97 0.28 1noyB1 VAL 290 HG23 0.09 0.02 -0.05 -0.04 0.95 0.97 1noyB1 ALA 291 H -0.37 0.71 -0.03 -0.55 8.40 8.16 1noyB1 ALA 291 HA -0.20 -0.03 0.40 -0.75 4.34 3.75 1noyB1 ALA 291 HB3 -0.26 -0.02 0.04 -0.04 1.41 1.13 1noyB1 GLN 292 H -0.13 0.53 -0.18 -0.55 8.47 8.14 1noyB1 GLN 292 HA -0.07 0.23 0.16 -0.75 4.36 3.92 1noyB1 GLN 292 HB2 -0.07 0.14 0.17 -0.04 2.15 2.35 1noyB1 GLN 292 HB3 -0.04 -0.03 -0.03 -0.04 2.02 1.88 1noyB1 GLN 292 HG2 -0.06 -0.11 -0.02 -0.04 2.40 2.17 1noyB1 GLN 292 HG3 -0.06 0.10 -0.14 -0.04 2.39 2.25 1noyB1 GLN 292 HE21 -0.12 -0.09 -0.06 -0.04 6.97 6.65 1noyB1 GLN 292 HE22 -0.08 -0.04 -0.01 -0.04 7.69 7.51 1noyB1 HIS 293 H 0.03 0.37 -0.32 -0.55 8.41 7.95 1noyB1 HIS 293 HA -0.03 0.01 0.34 -0.75 4.63 4.19 1noyB1 HIS 293 HB2 -0.04 -0.04 0.11 -0.04 3.26 3.26 1noyB1 HIS 293 HB3 -0.03 0.04 0.19 -0.04 3.20 3.36 1noyB1 HIS 293 HD2 0.15 -0.01 -0.15 -0.04 6.97 6.91 1noyB1 HIS 293 HE1 0.04 -0.02 -0.02 -0.04 7.75 7.71 1noyB1 GLU 294 H -0.01 0.53 -0.08 -0.55 8.60 8.49 1noyB1 GLU 294 HA -0.13 0.11 0.66 -0.75 4.29 4.18 1noyB1 GLU 294 HB2 -0.04 -0.09 0.18 -0.04 2.09 2.09 1noyB1 GLU 294 HB3 0.01 -0.01 0.02 -0.04 1.99 1.96 1noyB1 GLU 294 HG2 0.23 0.09 0.04 -0.04 2.34 2.66 1noyB1 GLU 294 HG3 0.15 -0.14 -0.01 -0.04 2.34 2.29 1noyB1 THR 295 H -0.08 0.43 0.18 -0.55 8.28 8.26 1noyB1 THR 295 HA -0.06 0.11 0.55 -0.75 4.39 4.23 1noyB1 THR 295 HB -0.07 -0.09 0.09 -0.04 4.32 4.21 1noyB1 THR 295 HG23 -0.09 -0.02 -0.05 -0.04 1.22 1.03 1noyB1 LYS 296 H -0.08 0.37 -0.33 -0.55 8.42 7.82 1noyB1 LYS 296 HA -0.06 0.27 0.38 -0.75 4.32 4.15 1noyB1 LYS 296 HB2 -0.05 0.25 0.19 -0.04 1.87 2.21 1noyB1 LYS 296 HB3 -0.05 -0.14 0.03 -0.04 1.79 1.59 1noyB1 LYS 296 HG2 -0.08 0.14 -0.30 -0.04 1.46 1.18 1noyB1 LYS 296 HG3 -0.05 -0.09 -0.07 -0.04 1.46 1.21 1noyB1 LYS 296 HD2 -0.05 -0.12 0.01 -0.04 1.69 1.49 1noyB1 LYS 296 HD3 -0.08 0.20 0.04 -0.04 1.68 1.80 1noyB1 LYS 296 HE2 -0.05 -0.08 -0.00 -0.04 2.99 2.81 1noyB1 LYS 296 HE3 -0.06 -0.08 0.01 -0.04 2.99 2.82 1noyB1 LYS 297 H -0.06 0.37 -0.73 -0.55 8.42 7.45 1noyB1 LYS 297 HA -0.04 -0.03 0.35 -0.75 4.32 3.85 1noyB1 LYS 297 HB2 -0.06 -0.02 -0.10 -0.04 1.87 1.65 1noyB1 LYS 297 HB3 -0.04 -0.04 0.06 -0.04 1.79 1.72 1noyB1 LYS 297 HG2 -0.05 0.13 0.02 -0.04 1.46 1.52 1noyB1 LYS 297 HG3 -0.04 -0.07 0.02 -0.04 1.46 1.33 1noyB1 LYS 297 HD2 -0.03 -0.07 0.02 -0.04 1.69 1.57 1noyB1 LYS 297 HD3 -0.04 -0.04 -0.00 -0.04 1.68 1.56 1noyB1 LYS 297 HE2 -0.03 -0.06 0.04 -0.04 2.99 2.90 1noyB1 LYS 297 HE3 -0.04 0.36 0.16 -0.04 2.99 3.43 1noyB1 GLY 298 H -0.04 0.03 0.06 -0.55 8.43 7.94 1noyB1 GLY 298 HA2 -0.07 0.16 0.70 -0.51 4.01 4.29 1noyB1 GLY 298 HA3 -0.05 0.00 0.30 -0.51 4.01 3.76 1noyB1 LYS 299 H -0.04 0.34 0.09 -0.55 8.42 8.26 1noyB1 LYS 299 HA -0.01 0.10 0.62 -0.75 4.32 4.28 1noyB1 LYS 299 HB2 -0.15 -0.02 -0.23 -0.04 1.87 1.44 1noyB1 LYS 299 HB3 -0.17 -0.01 -0.02 -0.04 1.79 1.55 1noyB1 LYS 299 HG2 -0.39 0.12 -0.08 -0.04 1.46 1.08 1noyB1 LYS 299 HG3 -0.03 0.00 0.02 -0.04 1.46 1.41 1noyB1 LYS 299 HD2 -0.48 -0.02 -0.03 -0.04 1.69 1.12 1noyB1 LYS 299 HD3 -0.25 -0.02 -0.10 -0.04 1.68 1.27 1noyB1 LYS 299 HE2 -0.36 -0.04 -0.09 -0.04 2.99 2.46 1noyB1 LYS 299 HE3 -0.94 0.06 -0.09 -0.04 2.99 1.99 1noyB1 LEU 300 H 0.11 0.07 0.03 -0.55 8.37 8.04 1noyB1 LEU 300 HA 0.06 0.05 0.45 -0.75 4.35 4.16 1noyB1 LEU 300 HB2 0.16 -0.12 0.13 -0.04 1.64 1.77 1noyB1 LEU 300 HB3 0.13 0.22 0.02 -0.04 1.64 1.97 1noyB1 LEU 300 HG 0.05 -0.05 0.08 -0.04 1.64 1.67 1noyB1 LEU 300 HD13 0.04 -0.04 0.11 -0.04 0.93 1.00 1noyB1 LEU 300 HD23 0.04 0.03 0.10 -0.04 0.89 1.01 1noyB1 PRO 301 HA 0.15 -0.02 0.52 -0.51 4.44 4.58 1noyB1 PRO 301 HB2 0.03 0.09 0.03 -0.04 2.28 2.39 1noyB1 PRO 301 HB3 -0.06 -0.05 0.10 -0.04 2.02 1.97 1noyB1 PRO 301 HG2 -0.01 0.02 0.09 -0.04 2.03 2.09 1noyB1 PRO 301 HG3 -0.02 0.04 0.11 -0.04 2.03 2.11 1noyB1 PRO 301 HD2 0.04 0.09 0.23 -0.04 3.68 4.00 1noyB1 PRO 301 HD3 0.03 0.11 0.22 -0.04 3.65 3.96 1noyB1 TYR 302 H 0.22 -0.00 0.11 -0.55 8.29 8.06 1noyB1 TYR 302 HA 0.12 0.09 0.24 -0.75 4.56 4.26 1noyB1 TYR 302 HB2 0.03 -0.00 0.07 -0.04 3.06 3.11 1noyB1 TYR 302 HB3 0.05 0.05 0.12 -0.04 2.98 3.17 1noyB1 TYR 302 HD2 0.02 0.01 0.05 -0.04 7.15 7.18 1noyB1 TYR 302 HE2 -0.05 0.00 -0.01 -0.04 6.85 6.76 1noyB1 ASP 303 H 0.20 0.16 -0.09 -0.55 8.40 8.13 1noyB1 ASP 303 HA 0.07 0.02 0.38 -0.75 4.63 4.34 1noyB1 ASP 303 HB2 0.07 0.26 -0.27 -0.04 2.71 2.73 1noyB1 ASP 303 HB3 0.06 -0.02 0.10 -0.04 2.70 2.80 1noyB1 GLY 304 H 0.08 0.14 0.12 -0.55 8.43 8.22 1noyB1 GLY 304 HA2 0.04 -0.01 0.32 -0.51 4.01 3.85 1noyB1 GLY 304 HA3 0.05 0.24 0.91 -0.51 4.01 4.69 1noyB1 PRO 305 HA 0.05 0.11 0.46 -0.51 4.44 4.55 1noyB1 PRO 305 HB2 0.03 -0.29 0.15 -0.04 2.28 2.12 1noyB1 PRO 305 HB3 0.03 0.08 0.12 -0.04 2.02 2.20 1noyB1 PRO 305 HG2 0.03 0.04 -0.15 -0.04 2.03 1.91 1noyB1 PRO 305 HG3 0.02 0.05 0.02 -0.04 2.03 2.09 1noyB1 PRO 305 HD2 0.04 0.34 0.24 -0.04 3.68 4.26 1noyB1 PRO 305 HD3 0.03 0.11 0.17 -0.04 3.65 3.92 1noyB1 ILE 306 H 0.03 -0.02 0.07 -0.55 8.25 7.78 1noyB1 ILE 306 HA -0.01 0.31 0.82 -0.75 4.18 4.54 1noyB1 ILE 306 HB -0.04 -0.00 0.09 -0.04 1.89 1.89 1noyB1 ILE 306 HG12 0.04 0.04 -0.11 -0.04 1.49 1.42 1noyB1 ILE 306 HG13 0.01 -0.17 0.17 -0.04 1.21 1.19 1noyB1 ILE 306 HG23 -0.08 0.05 -0.02 -0.04 0.93 0.84 1noyB1 ILE 306 HD13 0.02 0.03 0.03 -0.04 0.88 0.91 1noyB1 ASN 307 H -0.00 0.16 0.17 -0.55 8.53 8.32 1noyB1 ASN 307 HA 0.00 0.10 0.35 -0.75 4.76 4.46 1noyB1 ASN 307 HB2 -0.01 0.03 0.19 -0.04 2.88 3.05 1noyB1 ASN 307 HB3 -0.00 -0.02 0.14 -0.04 2.79 2.86 1noyB1 ASN 307 HD21 -0.13 0.01 0.21 -0.04 7.03 7.08 1noyB1 ASN 307 HD22 -0.03 -0.07 0.11 -0.04 7.74 7.71 1noyB1 LYS 308 H 0.01 0.02 -0.28 -0.55 8.42 7.60 1noyB1 LYS 308 HA -0.01 0.06 0.34 -0.75 4.32 3.95 1noyB1 LYS 308 HB2 0.01 -0.02 -0.03 -0.04 1.87 1.80 1noyB1 LYS 308 HB3 0.01 0.03 -0.03 -0.04 1.79 1.75 1noyB1 LYS 308 HG2 0.02 0.04 0.03 -0.04 1.46 1.52 1noyB1 LYS 308 HG3 0.02 -0.07 0.02 -0.04 1.46 1.39 1noyB1 LYS 308 HD2 0.02 0.04 0.01 -0.04 1.69 1.72 1noyB1 LYS 308 HD3 0.02 -0.03 0.02 -0.04 1.68 1.64 1noyB1 LYS 308 HE2 0.02 0.05 0.00 -0.04 2.99 3.01 1noyB1 LYS 308 HE3 0.02 0.02 -0.02 -0.04 2.99 2.96 1noyB1 LEU 309 H 0.01 0.57 -0.57 -0.55 8.37 7.85 1noyB1 LEU 309 HA 0.01 0.13 0.00 -0.75 4.35 3.74 1noyB1 LEU 309 HB2 0.08 0.18 0.00 -0.04 1.64 1.86 1noyB1 LEU 309 HB3 0.18 -0.10 -0.06 -0.04 1.64 1.63 1noyB1 LEU 309 HG 0.31 -0.10 -0.32 -0.04 1.64 1.49 1noyB1 LEU 309 HD13 0.01 0.01 -0.12 -0.04 0.93 0.79 1noyB1 LEU 309 HD23 0.20 -0.01 -0.13 -0.04 0.89 0.90 1noyB1 ARG 310 H -0.31 0.19 -0.34 -0.55 8.46 7.44 1noyB1 ARG 310 HA -0.64 -0.06 0.15 -0.75 4.34 3.04 1noyB1 ARG 310 HB2 -1.28 -0.05 -0.01 -0.04 1.90 0.52 1noyB1 ARG 310 HB3 -0.35 0.01 0.01 -0.04 1.80 1.43 1noyB1 ARG 310 HG2 -0.09 0.08 -0.43 -0.04 1.67 1.19 1noyB1 ARG 310 HG3 -0.16 -0.08 -0.08 -0.04 1.67 1.31 1noyB1 ARG 310 HD2 -0.12 -0.07 -0.06 -0.04 3.22 2.93 1noyB1 ARG 310 HD3 -0.14 -0.00 -0.08 -0.04 3.22 2.95 1noyB1 GLU 311 H -0.09 0.22 -0.11 -0.55 8.60 8.07 1noyB1 GLU 311 HA -0.01 0.05 0.51 -0.75 4.29 4.08 1noyB1 GLU 311 HB2 0.01 0.03 0.05 -0.04 2.09 2.13 1noyB1 GLU 311 HB3 0.01 -0.01 0.04 -0.04 1.99 1.99 1noyB1 GLU 311 HG2 -0.01 0.16 0.18 -0.04 2.34 2.63 1noyB1 GLU 311 HG3 0.00 0.03 -0.04 -0.04 2.34 2.30 1noyB1 THR 312 H -0.02 0.56 -0.16 -0.55 8.28 8.11 1noyB1 THR 312 HA 0.01 0.08 0.36 -0.75 4.39 4.08 1noyB1 THR 312 HB 0.01 -0.02 -0.16 -0.04 4.32 4.11 1noyB1 THR 312 HG23 0.01 0.00 0.03 -0.04 1.22 1.23 1noyB1 ASN 313 H 0.01 0.21 -1.03 -0.55 8.53 7.18 1noyB1 ASN 313 HA 0.03 -0.06 0.30 -0.75 4.76 4.28 1noyB1 ASN 313 HB2 0.01 0.33 0.57 -0.04 2.88 3.75 1noyB1 ASN 313 HB3 0.00 -0.11 0.24 -0.04 2.79 2.88 1noyB1 ASN 313 HD21 -0.02 0.00 -0.02 -0.04 7.03 6.95 1noyB1 ASN 313 HD22 -0.00 0.06 0.03 -0.04 7.74 7.79 1noyB1 HIS 314 H 0.12 0.10 0.15 -0.55 8.41 8.24 1noyB1 HIS 314 HA 0.01 -0.06 0.51 -0.75 4.63 4.33 1noyB1 HIS 314 HB2 -0.02 0.34 0.23 -0.04 3.26 3.77 1noyB1 HIS 314 HB3 0.03 -0.03 0.11 -0.04 3.20 3.27 1noyB1 HIS 314 HD2 0.01 0.01 -0.02 -0.04 6.97 6.93 1noyB1 HIS 314 HE1 0.29 -0.08 -0.03 -0.04 7.75 7.89 1noyB1 GLN 315 H -0.42 0.13 0.04 -0.55 8.47 7.68 1noyB1 GLN 315 HA 0.56 -0.05 0.37 -0.75 4.36 4.49 1noyB1 GLN 315 HB2 0.21 0.01 -0.45 -0.04 2.15 1.88 1noyB1 GLN 315 HB3 0.09 0.18 0.17 -0.04 2.02 2.42 1noyB1 GLN 315 HG2 0.03 -0.22 0.15 -0.04 2.40 2.32 1noyB1 GLN 315 HG3 -0.03 0.12 0.02 -0.04 2.39 2.45 1noyB1 GLN 315 HE21 -0.05 -0.02 -0.17 -0.04 6.97 6.70 1noyB1 GLN 315 HE22 0.01 0.14 -0.16 -0.04 7.69 7.64 1noyB1 ARG 316 H 0.03 0.93 -0.19 -0.55 8.46 8.68 1noyB1 ARG 316 HA -0.07 0.03 0.40 -0.75 4.34 3.95 1noyB1 ARG 316 HB2 -0.11 0.05 -0.01 -0.04 1.90 1.80 1noyB1 ARG 316 HB3 -0.12 0.23 0.01 -0.04 1.80 1.88 1noyB1 ARG 316 HG2 -0.74 -0.02 -0.33 -0.04 1.67 0.54 1noyB1 ARG 316 HG3 -0.72 -0.13 -0.08 -0.04 1.67 0.70 1noyB1 ARG 316 HD2 -0.13 0.07 -0.10 -0.04 3.22 3.02 1noyB1 ARG 316 HD3 -0.27 0.05 -0.14 -0.04 3.22 2.82 1noyB1 TYR 317 H 0.03 0.40 -0.34 -0.55 8.29 7.83 1noyB1 TYR 317 HA -0.11 0.09 0.23 -0.75 4.56 4.01 1noyB1 TYR 317 HB2 -0.10 0.33 -0.06 -0.04 3.06 3.20 1noyB1 TYR 317 HB3 -0.25 -0.24 0.00 -0.04 2.98 2.45 1noyB1 TYR 317 HD2 -0.08 0.03 -0.19 -0.04 7.15 6.87 1noyB1 TYR 317 HE2 -0.02 0.00 -0.14 -0.04 6.85 6.65 1noyB1 ILE 318 H -0.08 0.02 -0.33 -0.55 8.25 7.31 1noyB1 ILE 318 HA -0.21 0.02 0.21 -0.75 4.18 3.45 1noyB1 ILE 318 HB -0.42 0.09 0.01 -0.04 1.89 1.53 1noyB1 ILE 318 HG12 -0.37 -0.14 0.00 -0.04 1.49 0.94 1noyB1 ILE 318 HG13 -0.02 0.03 -0.02 -0.04 1.21 1.16 1noyB1 ILE 318 HG23 -0.73 0.01 -0.19 -0.04 0.93 -0.02 1noyB1 ILE 318 HD13 0.03 0.02 -0.09 -0.04 0.88 0.80 1noyB1 SER 319 H -0.00 0.51 -0.35 -0.55 8.46 8.07 1noyB1 SER 319 HA -0.08 0.01 0.33 -0.75 4.49 3.99 1noyB1 SER 319 HB2 0.04 0.12 0.12 -0.04 3.95 4.19 1noyB1 SER 319 HB3 0.12 -0.03 -0.05 -0.04 3.93 3.93 1noyB1 TYR 320 H -0.03 0.60 -0.39 -0.55 8.29 7.92 1noyB1 TYR 320 HA -0.09 0.00 0.36 -0.75 4.56 4.08 1noyB1 TYR 320 HB2 -0.16 0.34 0.20 -0.04 3.06 3.39 1noyB1 TYR 320 HB3 -0.17 -0.11 -0.07 -0.04 2.98 2.58 1noyB1 TYR 320 HD2 -0.08 -0.07 -0.11 -0.04 7.15 6.85 1noyB1 TYR 320 HE2 -0.04 -0.06 -0.11 -0.04 6.85 6.60 1noyB1 ASN 321 H -0.11 0.43 -0.12 -0.55 8.53 8.19 1noyB1 ASN 321 HA -0.10 -0.03 0.24 -0.75 4.76 4.11 1noyB1 ASN 321 HB2 -0.21 -0.03 -0.01 -0.04 2.88 2.59 1noyB1 ASN 321 HB3 -0.15 0.16 0.07 -0.04 2.79 2.83 1noyB1 ASN 321 HD21 -0.02 0.43 -0.21 -0.04 7.03 7.18 1noyB1 ASN 321 HD22 -0.09 -0.05 -0.14 -0.04 7.74 7.41 1noyB1 ILE 322 H -0.14 0.53 -0.24 -0.55 8.25 7.85 1noyB1 ILE 322 HA 0.00 -0.01 0.39 -0.75 4.18 3.81 1noyB1 ILE 322 HB -0.13 -0.03 -0.04 -0.04 1.89 1.65 1noyB1 ILE 322 HG12 -0.18 0.08 -0.22 -0.04 1.49 1.13 1noyB1 ILE 322 HG13 -0.33 -0.08 -0.28 -0.04 1.21 0.47 1noyB1 ILE 322 HG23 -0.35 0.03 -0.01 -0.04 0.93 0.56 1noyB1 ILE 322 HD13 -0.32 -0.00 -0.18 -0.04 0.88 0.34 1noyB1 ILE 323 H -0.05 0.61 -0.14 -0.55 8.25 8.12 1noyB1 ILE 323 HA -0.08 -0.01 0.31 -0.75 4.18 3.65 1noyB1 ILE 323 HB 0.02 0.12 0.21 -0.04 1.89 2.20 1noyB1 ILE 323 HG12 -0.04 -0.04 0.04 -0.04 1.49 1.40 1noyB1 ILE 323 HG13 0.00 0.09 0.03 -0.04 1.21 1.29 1noyB1 ILE 323 HG23 -0.09 -0.02 -0.18 -0.04 0.93 0.60 1noyB1 ILE 323 HD13 0.06 0.00 -0.08 -0.04 0.88 0.82 1noyB1 ASP 324 H -0.08 0.66 -0.22 -0.55 8.40 8.22 1noyB1 ASP 324 HA -0.14 -0.01 0.37 -0.75 4.63 4.09 1noyB1 ASP 324 HB2 -0.09 0.18 0.09 -0.04 2.71 2.85 1noyB1 ASP 324 HB3 -0.10 -0.11 -0.03 -0.04 2.70 2.42 1noyB1 VAL 325 H -0.00 0.51 -0.15 -0.55 8.24 8.04 1noyB1 VAL 325 HA 0.01 -0.05 0.38 -0.75 4.13 3.71 1noyB1 VAL 325 HB 0.17 0.16 0.09 -0.04 2.12 2.50 1noyB1 VAL 325 HG13 0.16 -0.03 -0.19 -0.04 0.97 0.87 1noyB1 VAL 325 HG23 0.08 0.02 -0.04 -0.04 0.95 0.97 1noyB1 GLU 326 H 0.02 0.52 -0.30 -0.55 8.60 8.29 1noyB1 GLU 326 HA 0.11 0.05 0.42 -0.75 4.29 4.12 1noyB1 GLU 326 HB2 -0.02 0.07 0.02 -0.04 2.09 2.12 1noyB1 GLU 326 HB3 -0.05 0.10 0.04 -0.04 1.99 2.03 1noyB1 GLU 326 HG2 0.24 -0.02 -0.00 -0.04 2.34 2.52 1noyB1 GLU 326 HG3 -0.01 -0.01 -0.05 -0.04 2.34 2.23 1noyB1 SER 327 H -0.09 0.52 -0.09 -0.55 8.46 8.25 1noyB1 SER 327 HA -0.13 0.05 0.32 -0.75 4.49 3.98 1noyB1 SER 327 HB2 -0.23 -0.07 0.01 -0.04 3.95 3.62 1noyB1 SER 327 HB3 -0.15 0.09 0.05 -0.04 3.93 3.87 1noyB1 VAL 328 H -0.14 0.35 -0.43 -0.55 8.24 7.46 1noyB1 VAL 328 HA -0.25 0.00 0.37 -0.75 4.13 3.50 1noyB1 VAL 328 HB -0.12 0.19 0.08 -0.04 2.12 2.24 1noyB1 VAL 328 HG13 -0.24 -0.03 -0.12 -0.04 0.97 0.54 1noyB1 VAL 328 HG23 0.02 0.01 -0.01 -0.04 0.95 0.92 1noyB1 GLN 329 H -0.18 0.35 -0.15 -0.55 8.47 7.95 1noyB1 GLN 329 HA -0.17 -0.04 0.30 -0.75 4.36 3.70 1noyB1 GLN 329 HB2 -0.24 0.22 0.15 -0.04 2.15 2.24 1noyB1 GLN 329 HB3 -0.26 0.01 0.00 -0.04 2.02 1.73 1noyB1 GLN 329 HG2 -0.32 -0.01 0.05 -0.04 2.40 2.08 1noyB1 GLN 329 HG3 -1.06 0.03 -0.01 -0.04 2.39 1.30 1noyB1 GLN 329 HE21 0.10 0.02 -0.14 -0.04 6.97 6.91 1noyB1 GLN 329 HE22 -0.01 -0.04 -0.09 -0.04 7.69 7.51 1noyB1 ALA 330 H -0.14 0.39 -0.37 -0.55 8.40 7.73 1noyB1 ALA 330 HA -0.08 0.05 0.37 -0.75 4.34 3.93 1noyB1 ALA 330 HB3 -0.09 0.02 0.03 -0.04 1.41 1.33 1noyB1 ILE 331 H -0.16 0.64 -0.03 -0.55 8.25 8.15 1noyB1 ILE 331 HA -0.05 0.08 0.46 -0.75 4.18 3.92 1noyB1 ILE 331 HB -0.20 0.07 0.22 -0.04 1.89 1.94 1noyB1 ILE 331 HG12 -0.11 0.01 -0.01 -0.04 1.49 1.34 1noyB1 ILE 331 HG13 -0.18 0.19 0.09 -0.04 1.21 1.27 1noyB1 ILE 331 HG23 0.21 -0.02 -0.08 -0.04 0.93 0.99 1noyB1 ILE 331 HD13 -0.39 -0.05 -0.11 -0.04 0.88 0.28 1noyB1 ASP 332 H -0.19 0.63 -0.10 -0.55 8.40 8.20 1noyB1 ASP 332 HA 0.06 -0.14 0.27 -0.75 4.63 4.07 1noyB1 ASP 332 HB2 -0.09 0.01 0.08 -0.04 2.71 2.67 1noyB1 ASP 332 HB3 -0.04 0.20 0.10 -0.04 2.70 2.92 1noyB1 LYS 333 H -0.06 0.56 -0.17 -0.55 8.42 8.19 1noyB1 LYS 333 HA -0.02 -0.03 0.38 -0.75 4.32 3.90 1noyB1 LYS 333 HB2 -0.04 0.09 0.13 -0.04 1.87 2.01 1noyB1 LYS 333 HB3 -0.03 -0.01 0.03 -0.04 1.79 1.75 1noyB1 LYS 333 HG2 -0.02 -0.05 0.04 -0.04 1.46 1.39 1noyB1 LYS 333 HG3 -0.04 0.12 0.05 -0.04 1.46 1.54 1noyB1 LYS 333 HD2 -0.02 0.01 -0.01 -0.04 1.69 1.63 1noyB1 LYS 333 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 1noyB1 LYS 333 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 1noyB1 LYS 333 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.83 1noyB1 ILE 334 H -0.05 0.33 -0.46 -0.55 8.25 7.53 1noyB1 ILE 334 HA -0.03 0.08 0.62 -0.75 4.18 4.10 1noyB1 ILE 334 HB -0.03 0.02 0.20 -0.04 1.89 2.04 1noyB1 ILE 334 HG12 -0.03 -0.05 -0.01 -0.04 1.49 1.36 1noyB1 ILE 334 HG13 -0.04 0.30 0.13 -0.04 1.21 1.56 1noyB1 ILE 334 HG23 -0.01 -0.01 -0.02 -0.04 0.93 0.84 1noyB1 ILE 334 HD13 -0.03 -0.04 -0.12 -0.04 0.88 0.64 1noyB1 ARG 335 H -0.11 0.50 0.14 -0.55 8.46 8.45 1noyB1 ARG 335 HA -0.18 0.20 0.57 -0.75 4.34 4.18 1noyB1 ARG 335 HB2 -0.59 -0.16 -0.03 -0.04 1.90 1.08 1noyB1 ARG 335 HB3 -1.86 -0.02 -0.08 -0.04 1.80 -0.20 1noyB1 ARG 335 HG2 -0.04 0.07 0.02 -0.04 1.67 1.68 1noyB1 ARG 335 HG3 -0.07 -0.09 -0.04 -0.04 1.67 1.43 1noyB1 ARG 335 HD2 -0.08 0.05 -0.00 -0.04 3.22 3.15 1noyB1 ARG 335 HD3 0.00 0.03 -0.14 -0.04 3.22 3.07 1noyB1 GLY 336 H -0.09 0.76 0.18 -0.55 8.43 8.74 1noyB1 GLY 336 HA2 0.02 -0.03 0.34 -0.51 4.01 3.83 1noyB1 GLY 336 HA3 0.00 0.16 0.26 -0.51 4.01 3.92 1noyB1 PHE 337 H 0.01 0.10 -0.10 -0.55 8.34 7.80 1noyB1 PHE 337 HA -0.04 0.21 0.48 -0.75 4.62 4.51 1noyB1 PHE 337 HB2 -0.09 -0.08 -0.05 -0.04 3.15 2.89 1noyB1 PHE 337 HB3 -0.07 0.01 -0.01 -0.04 3.06 2.94 1noyB1 PHE 337 HD2 0.01 -0.04 -0.22 -0.04 7.28 6.98 1noyB1 PHE 337 HE2 0.12 0.04 -0.07 -0.04 7.38 7.43 1noyB1 PHE 337 HZ 0.06 0.09 -0.24 -0.04 7.32 7.19 1noyB1 ILE 338 H 0.16 0.08 -0.19 -0.55 8.25 7.75 1noyB1 ILE 338 HA 0.02 0.13 0.57 -0.75 4.18 4.14 1noyB1 ILE 338 HB 0.10 0.02 0.00 -0.04 1.89 1.97 1noyB1 ILE 338 HG12 0.30 -0.09 -0.06 -0.04 1.49 1.59 1noyB1 ILE 338 HG13 0.16 0.04 -0.05 -0.04 1.21 1.32 1noyB1 ILE 338 HG23 0.00 0.02 -0.11 -0.04 0.93 0.80 1noyB1 ILE 338 HD13 0.07 0.01 -0.07 -0.04 0.88 0.86 1noyB1 ASP 339 H 0.07 0.07 -0.33 -0.55 8.40 7.67 1noyB1 ASP 339 HA 0.09 0.06 0.37 -0.75 4.63 4.39 1noyB1 ASP 339 HB2 0.06 0.25 0.16 -0.04 2.71 3.14 1noyB1 ASP 339 HB3 0.08 0.04 -0.05 -0.04 2.70 2.73 1noyB1 LEU 340 H 0.04 0.43 -0.09 -0.55 8.37 8.21 1noyB1 LEU 340 HA -0.06 0.05 0.37 -0.75 4.35 3.95 1noyB1 LEU 340 HB2 -0.04 0.12 0.13 -0.04 1.64 1.80 1noyB1 LEU 340 HB3 -0.09 0.00 0.14 -0.04 1.64 1.65 1noyB1 LEU 340 HG -0.48 -0.02 -0.16 -0.04 1.64 0.94 1noyB1 LEU 340 HD13 -0.27 0.00 -0.00 -0.04 0.93 0.62 1noyB1 LEU 340 HD23 -0.88 0.01 -0.01 -0.04 0.89 -0.02 1noyB1 VAL 341 H -0.07 0.36 -0.35 -0.55 8.24 7.63 1noyB1 VAL 341 HA -0.10 -0.00 0.24 -0.75 4.13 3.51 1noyB1 VAL 341 HB -0.12 0.08 0.12 -0.04 2.12 2.16 1noyB1 VAL 341 HG13 -0.19 -0.00 -0.14 -0.04 0.97 0.60 1noyB1 VAL 341 HG23 -0.04 0.03 0.03 -0.04 0.95 0.93 1noyB1 LEU 342 H -0.17 0.41 -0.21 -0.55 8.37 7.85 1noyB1 LEU 342 HA -0.48 0.01 0.41 -0.75 4.35 3.53 1noyB1 LEU 342 HB2 -0.20 0.08 0.10 -0.04 1.64 1.57 1noyB1 LEU 342 HB3 -0.54 -0.01 -0.02 -0.04 1.64 1.02 1noyB1 LEU 342 HG -0.23 0.17 0.09 -0.04 1.64 1.63 1noyB1 LEU 342 HD13 0.09 -0.03 -0.06 -0.04 0.93 0.89 1noyB1 LEU 342 HD23 -0.61 -0.01 -0.05 -0.04 0.89 0.18 1noyB1 SER 343 H -0.08 0.63 -0.08 -0.55 8.46 8.39 1noyB1 SER 343 HA 0.04 0.00 0.36 -0.75 4.49 4.14 1noyB1 SER 343 HB2 -0.01 0.10 0.18 -0.04 3.95 4.18 1noyB1 SER 343 HB3 0.01 -0.03 -0.08 -0.04 3.93 3.79 1noyB1 MET 344 H -0.08 0.72 -0.02 -0.55 8.47 8.54 1noyB1 MET 344 HA -0.03 0.03 0.42 -0.75 4.52 4.19 1noyB1 MET 344 HB2 -0.07 0.03 0.03 -0.04 2.15 2.11 1noyB1 MET 344 HB3 -0.02 -0.02 -0.09 -0.04 2.03 1.85 1noyB1 MET 344 HG2 -0.12 -0.01 -0.02 -0.04 2.63 2.44 1noyB1 MET 344 HG3 -0.15 0.03 -0.02 -0.04 2.56 2.38 1noyB1 MET 344 HE3 -0.00 0.02 -0.04 -0.04 2.10 2.04 1noyB1 SER 345 H -0.09 0.52 -0.20 -0.55 8.46 8.15 1noyB1 SER 345 HA 0.03 -0.03 0.26 -0.75 4.49 4.00 1noyB1 SER 345 HB2 -0.28 0.09 0.20 -0.04 3.95 3.92 1noyB1 SER 345 HB3 -0.09 0.09 -0.04 -0.04 3.93 3.85 1noyB1 TYR 346 H -0.25 0.68 0.00 -0.55 8.29 8.16 1noyB1 TYR 346 HA 0.07 0.03 0.42 -0.75 4.56 4.32 1noyB1 TYR 346 HB2 -0.12 0.08 0.04 -0.04 3.06 3.02 1noyB1 TYR 346 HB3 -0.05 -0.01 -0.01 -0.04 2.98 2.87 1noyB1 TYR 346 HD2 -0.68 -0.01 -0.11 -0.04 7.15 6.31 1noyB1 TYR 346 HE2 -1.08 -0.07 -0.08 -0.04 6.85 5.57 1noyB1 TYR 347 H 0.23 0.38 -0.37 -0.55 8.29 7.98 1noyB1 TYR 347 HA 0.09 0.05 0.59 -0.75 4.56 4.53 1noyB1 TYR 347 HB2 0.06 -0.01 0.10 -0.04 3.06 3.18 1noyB1 TYR 347 HB3 0.04 0.08 0.12 -0.04 2.98 3.18 1noyB1 TYR 347 HD2 0.05 0.03 -0.24 -0.04 7.15 6.95 1noyB1 TYR 347 HE2 0.04 -0.03 -0.03 -0.04 6.85 6.78 1noyB1 ALA 348 H 0.20 0.44 -0.14 -0.55 8.40 8.36 1noyB1 ALA 348 HA 0.16 0.13 0.72 -0.75 4.34 4.61 1noyB1 ALA 348 HB3 0.14 -0.03 0.00 -0.04 1.41 1.47 1noyB1 LYS 349 H 0.16 0.08 -0.47 -0.55 8.42 7.63 1noyB1 LYS 349 HA 0.23 -0.02 0.25 -0.75 4.32 4.03 1noyB1 LYS 349 HB2 0.08 0.09 -0.09 -0.04 1.87 1.91 1noyB1 LYS 349 HB3 0.09 -0.08 0.06 -0.04 1.79 1.82 1noyB1 LYS 349 HG2 0.17 -0.00 -0.01 -0.04 1.46 1.58 1noyB1 LYS 349 HG3 0.08 0.01 -0.25 -0.04 1.46 1.27 1noyB1 LYS 349 HD2 0.06 -0.04 -0.05 -0.04 1.69 1.62 1noyB1 LYS 349 HD3 0.11 0.19 -0.02 -0.04 1.68 1.92 1noyB1 LYS 349 HE2 0.08 0.03 -0.10 -0.04 2.99 2.96 1noyB1 LYS 349 HE3 0.01 -0.06 -0.10 -0.04 2.99 2.80 1noyB1 MET 350 H 0.14 0.54 0.03 -0.55 8.47 8.63 1noyB1 MET 350 HA -0.02 0.18 0.82 -0.75 4.52 4.75 1noyB1 MET 350 HB2 0.03 -0.06 -0.04 -0.04 2.15 2.03 1noyB1 MET 350 HB3 0.04 0.12 -0.21 -0.04 2.03 1.93 1noyB1 MET 350 HG2 0.08 0.04 -0.31 -0.04 2.63 2.40 1noyB1 MET 350 HG3 0.07 -0.09 -0.17 -0.04 2.56 2.32 1noyB1 MET 350 HE3 0.06 0.01 -0.35 -0.04 2.10 1.78 1noyB1 PRO 351 HA -0.13 0.08 0.41 -0.51 4.44 4.28 1noyB1 PRO 351 HB2 -0.02 -0.09 0.01 -0.04 2.28 2.14 1noyB1 PRO 351 HB3 -0.07 0.01 0.06 -0.04 2.02 1.98 1noyB1 PRO 351 HG2 -0.06 0.03 0.04 -0.04 2.03 2.00 1noyB1 PRO 351 HG3 -0.11 0.09 -0.02 -0.04 2.03 1.95 1noyB1 PRO 351 HD2 -0.02 0.07 0.15 -0.04 3.68 3.84 1noyB1 PRO 351 HD3 -0.06 0.27 0.16 -0.04 3.65 3.98 1noyB1 PHE 352 H -0.41 0.19 0.10 -0.55 8.34 7.67 1noyB1 PHE 352 HA -0.05 0.13 0.19 -0.75 4.62 4.14 1noyB1 PHE 352 HB2 0.02 -0.05 0.08 -0.04 3.15 3.15 1noyB1 PHE 352 HB3 -0.01 -0.03 -0.04 -0.04 3.06 2.94 1noyB1 PHE 352 HD2 -0.09 -0.00 0.01 -0.04 7.28 7.16 1noyB1 PHE 352 HE2 -0.37 0.07 0.03 -0.04 7.38 7.07 1noyB1 PHE 352 HZ 0.02 0.10 0.03 -0.04 7.32 7.43 1noyB1 SER 353 H 0.11 0.08 -0.25 -0.55 8.46 7.86 1noyB1 SER 353 HA 0.08 0.05 0.35 -0.75 4.49 4.22 1noyB1 SER 353 HB2 0.04 0.01 0.04 -0.04 3.95 4.00 1noyB1 SER 353 HB3 0.07 -0.01 0.08 -0.04 3.93 4.03 1noyB1 GLY 354 H 0.06 0.63 -0.30 -0.55 8.43 8.27 1noyB1 GLY 354 HA2 0.04 -0.03 0.26 -0.51 4.01 3.78 1noyB1 GLY 354 HA3 0.05 0.15 0.16 -0.51 4.01 3.86 1noyB1 VAL 355 H 0.07 0.36 -0.31 -0.55 8.24 7.81 1noyB1 VAL 355 HA 0.06 0.10 0.20 -0.75 4.13 3.74 1noyB1 VAL 355 HB 0.05 -0.02 -0.06 -0.04 2.12 2.05 1noyB1 VAL 355 HG13 0.00 0.01 -0.03 -0.04 0.97 0.92 1noyB1 VAL 355 HG23 0.06 0.07 -0.05 -0.04 0.95 0.99 1noyB1 MET 356 H 0.05 0.24 -0.37 -0.55 8.47 7.84 1noyB1 MET 356 HA 0.04 0.16 0.66 -0.75 4.52 4.62 1noyB1 MET 356 HB2 -0.02 0.06 -0.03 -0.04 2.15 2.12 1noyB1 MET 356 HB3 -0.09 -0.04 0.10 -0.04 2.03 1.96 1noyB1 MET 356 HG2 0.06 -0.04 -0.16 -0.04 2.63 2.45 1noyB1 MET 356 HG3 -0.01 -0.01 -0.02 -0.04 2.56 2.48 1noyB1 MET 356 HE3 -0.13 -0.02 -0.05 -0.04 2.10 1.87 1noyB1 SER 357 H 0.04 0.54 -0.35 -0.55 8.46 8.15 1noyB1 SER 357 HA -0.01 0.24 1.00 -0.75 4.49 4.97 1noyB1 SER 357 HB2 0.01 0.05 -0.04 -0.04 3.95 3.93 1noyB1 SER 357 HB3 0.03 0.05 0.17 -0.04 3.93 4.14 1noyB1 PRO 358 HA 0.04 0.14 0.46 -0.51 4.44 4.56 1noyB1 PRO 358 HB2 -0.06 -0.01 0.09 -0.04 2.28 2.26 1noyB1 PRO 358 HB3 -0.04 0.07 0.07 -0.04 2.02 2.08 1noyB1 PRO 358 HG2 -0.04 0.05 0.07 -0.04 2.03 2.06 1noyB1 PRO 358 HG3 -0.01 0.10 0.00 -0.04 2.03 2.08 1noyB1 PRO 358 HD2 -0.03 0.03 0.23 -0.04 3.68 3.87 1noyB1 PRO 358 HD3 -0.02 0.36 0.07 -0.04 3.65 4.01 1noyB1 ILE 359 H 0.01 0.14 -0.09 -0.55 8.25 7.75 1noyB1 ILE 359 HA 0.10 0.13 0.34 -0.75 4.18 3.99 1noyB1 ILE 359 HB 0.04 -0.07 0.09 -0.04 1.89 1.90 1noyB1 ILE 359 HG12 -0.04 -0.04 0.06 -0.04 1.49 1.43 1noyB1 ILE 359 HG13 -0.01 0.03 0.03 -0.04 1.21 1.22 1noyB1 ILE 359 HG23 0.12 0.03 -0.18 -0.04 0.93 0.86 1noyB1 ILE 359 HD13 -0.09 0.02 -0.00 -0.04 0.88 0.77 1noyB1 LYS 360 H 0.06 0.05 -0.20 -0.55 8.42 7.78 1noyB1 LYS 360 HA 0.08 0.05 0.35 -0.75 4.32 4.05 1noyB1 LYS 360 HB2 0.05 0.08 0.10 -0.04 1.87 2.06 1noyB1 LYS 360 HB3 0.04 0.01 0.01 -0.04 1.79 1.81 1noyB1 LYS 360 HG2 0.04 0.03 -0.02 -0.04 1.46 1.47 1noyB1 LYS 360 HG3 0.04 -0.06 -0.00 -0.04 1.46 1.39 1noyB1 LYS 360 HD2 0.02 -0.00 -0.06 -0.04 1.69 1.60 1noyB1 LYS 360 HD3 0.02 -0.00 -0.04 -0.04 1.68 1.61 1noyB1 LYS 360 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 1noyB1 LYS 360 HE3 0.03 0.05 -0.05 -0.04 2.99 2.98 1noyB1 THR 361 H 0.10 0.40 -0.43 -0.55 8.28 7.80 1noyB1 THR 361 HA 0.10 0.06 0.43 -0.75 4.39 4.22 1noyB1 THR 361 HB 0.11 0.04 0.16 -0.04 4.32 4.59 1noyB1 THR 361 HG23 0.10 -0.01 -0.13 -0.04 1.22 1.14 1noyB1 TRP 362 H 0.29 0.72 0.05 -0.55 7.97 8.49 1noyB1 TRP 362 HA 0.03 0.01 0.35 -0.75 4.62 4.26 1noyB1 TRP 362 HB2 0.02 0.06 0.13 -0.04 3.23 3.39 1noyB1 TRP 362 HB3 0.02 0.08 0.17 -0.04 3.23 3.46 1noyB1 TRP 362 HD1 0.02 -0.01 0.01 -0.04 7.22 7.19 1noyB1 TRP 362 HE1 0.01 -0.02 -0.05 -0.04 10.20 10.10 1noyB1 TRP 362 HE3 0.01 0.01 -0.09 -0.04 7.59 7.48 1noyB1 TRP 362 HZ2 0.01 -0.03 -0.08 -0.04 7.44 7.29 1noyB1 TRP 362 HZ3 0.00 -0.02 -0.37 -0.04 7.13 6.71 1noyB1 TRP 362 HH2 0.00 0.08 -0.30 -0.04 7.19 6.94 1noyB1 ASP 363 H 0.29 0.63 -0.18 -0.55 8.40 8.60 1noyB1 ASP 363 HA -0.11 -0.04 0.35 -0.75 4.63 4.07 1noyB1 ASP 363 HB2 0.16 0.03 0.04 -0.04 2.71 2.89 1noyB1 ASP 363 HB3 0.09 0.09 0.06 -0.04 2.70 2.89 1noyB1 ALA 364 H 0.08 0.37 -0.46 -0.55 8.40 7.83 1noyB1 ALA 364 HA 0.01 -0.03 0.45 -0.75 4.34 4.01 1noyB1 ALA 364 HB3 0.05 0.07 0.08 -0.04 1.41 1.57 1noyB1 ILE 365 H 0.06 0.48 -0.10 -0.55 8.25 8.14 1noyB1 ILE 365 HA 0.05 0.11 0.37 -0.75 4.18 3.96 1noyB1 ILE 365 HB 0.02 0.06 0.11 -0.04 1.89 2.04 1noyB1 ILE 365 HG12 0.12 0.30 0.03 -0.04 1.49 1.90 1noyB1 ILE 365 HG13 0.14 -0.11 -0.05 -0.04 1.21 1.15 1noyB1 ILE 365 HG23 0.04 -0.02 -0.10 -0.04 0.93 0.81 1noyB1 ILE 365 HD13 0.13 0.00 -0.04 -0.04 0.88 0.94 1noyB1 ILE 366 H -0.16 0.53 -0.08 -0.55 8.25 7.99 1noyB1 ILE 366 HA -0.18 -0.01 0.40 -0.75 4.18 3.63 1noyB1 ILE 366 HB -0.23 0.08 0.14 -0.04 1.89 1.83 1noyB1 ILE 366 HG12 -0.55 -0.05 -0.01 -0.04 1.49 0.83 1noyB1 ILE 366 HG13 -0.77 0.15 -0.00 -0.04 1.21 0.55 1noyB1 ILE 366 HG23 -0.21 -0.02 -0.11 -0.04 0.93 0.55 1noyB1 ILE 366 HD13 -1.25 -0.03 -0.10 -0.04 0.88 -0.54 1noyB1 PHE 367 H 0.10 0.38 -0.18 -0.55 8.34 8.09 1noyB1 PHE 367 HA -0.10 -0.03 0.36 -0.75 4.62 4.09 1noyB1 PHE 367 HB2 -0.06 0.10 0.15 -0.04 3.15 3.30 1noyB1 PHE 367 HB3 -0.03 0.15 0.05 -0.04 3.06 3.19 1noyB1 PHE 367 HD2 -0.04 0.06 -0.15 -0.04 7.28 7.11 1noyB1 PHE 367 HE2 0.00 -0.09 -0.15 -0.04 7.38 7.10 1noyB1 PHE 367 HZ 0.05 0.06 -0.25 -0.04 7.32 7.14 1noyB1 ASN 368 H 0.12 0.53 -0.10 -0.55 8.53 8.53 1noyB1 ASN 368 HA 0.06 0.07 0.56 -0.75 4.76 4.69 1noyB1 ASN 368 HB2 0.06 0.09 0.08 -0.04 2.88 3.07 1noyB1 ASN 368 HB3 0.04 -0.06 0.04 -0.04 2.79 2.77 1noyB1 ASN 368 HD21 0.08 -0.03 0.11 -0.04 7.03 7.15 1noyB1 ASN 368 HD22 0.09 0.50 0.17 -0.04 7.74 8.46 1noyB1 SER 369 H -0.03 0.38 -0.44 -0.55 8.46 7.82 1noyB1 SER 369 HA -0.03 0.01 0.43 -0.75 4.49 4.15 1noyB1 SER 369 HB2 -0.04 -0.16 0.08 -0.04 3.95 3.79 1noyB1 SER 369 HB3 -0.04 0.13 0.12 -0.04 3.93 4.09 1noyB1 LEU 370 H -0.10 0.30 -0.43 -0.55 8.37 7.59 1noyB1 LEU 370 HA -0.08 0.04 0.34 -0.75 4.35 3.89 1noyB1 LEU 370 HB2 -0.18 0.20 0.07 -0.04 1.64 1.69 1noyB1 LEU 370 HB3 -0.13 -0.06 0.03 -0.04 1.64 1.43 1noyB1 LEU 370 HG -0.13 -0.08 0.00 -0.04 1.64 1.40 1noyB1 LEU 370 HD13 -0.15 0.01 -0.02 -0.04 0.93 0.73 1noyB1 LEU 370 HD23 -0.24 0.03 -0.04 -0.04 0.89 0.60