NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
554213 | 2m07 | 18797 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 3H ALA 1 119.373 -17.911 12.298 2 H2 ALA 1 2H ALA 1 119.982 -19.472 12.008 3 H3 ALA 1 HT3 ALA 1 120.446 -18.622 13.406 4 HA ALA 1 HA ALA 1 117.923 -19.993 12.805 5 HB1 ALA 1 2HB ALA 1 118.296 -20.320 15.406 6 HB2 ALA 1 3HB ALA 1 119.951 -19.853 15.008 7 HB3 ALA 1 1HB ALA 1 119.226 -21.268 14.244 8 H THR 2 H THR 2 115.986 -19.259 13.539 9 HA THR 2 HA THR 2 114.397 -17.712 14.108 10 HB THR 2 HB THR 2 114.623 -16.801 16.372 11 HG1 THR 2 HG1 THR 2 116.980 -16.439 15.987 12 HG21 THR 2 3HG2 THR 2 115.068 -18.973 17.543 13 HG22 THR 2 1HG2 THR 2 115.634 -19.634 16.009 14 HG23 THR 2 2HG2 THR 2 113.954 -19.122 16.183 15 H SER 3 H SER 3 116.424 -16.731 12.258 16 HA SER 3 HA SER 3 115.974 -13.867 12.722 17 HB2 SER 3 1HB SER 3 118.266 -13.278 12.222 18 HB3 SER 3 2HB SER 3 118.266 -14.422 13.561 19 HG SER 3 HG SER 3 119.664 -14.690 11.482 20 H THR 4 H THR 4 115.834 -12.650 10.826 21 HA THR 4 HA THR 4 116.053 -14.132 8.275 22 HB THR 4 HB THR 4 113.815 -12.206 8.926 23 HG1 THR 4 HG1 THR 4 113.569 -14.051 10.176 24 HG21 THR 4 3HG2 THR 4 114.057 -14.265 6.722 25 HG22 THR 4 1HG2 THR 4 114.551 -12.583 6.525 26 HG23 THR 4 2HG2 THR 4 112.865 -12.972 6.864 27 H VAL 5 H VAL 5 116.842 -12.975 6.577 28 HA VAL 5 HA VAL 5 117.432 -10.099 7.039 29 HB VAL 5 HB VAL 5 119.088 -12.073 5.440 30 HG11 VAL 5 1HG1 VAL 5 120.709 -10.210 5.354 31 HG12 VAL 5 2HG1 VAL 5 119.570 -9.182 6.226 32 HG13 VAL 5 3HG1 VAL 5 119.178 -9.753 4.604 33 HG21 VAL 5 3HG2 VAL 5 119.486 -10.851 8.187 34 HG22 VAL 5 1HG2 VAL 5 120.767 -11.657 7.281 35 HG23 VAL 5 2HG2 VAL 5 119.348 -12.565 7.795 36 H THR 6 H THR 6 116.175 -8.900 5.759 37 HA THR 6 HA THR 6 115.620 -9.871 3.013 38 HB THR 6 HB THR 6 113.656 -8.264 4.640 39 HG1 THR 6 HG1 THR 6 114.144 -11.023 4.572 40 HG21 THR 6 3HG2 THR 6 112.149 -8.763 2.922 41 HG22 THR 6 1HG2 THR 6 113.080 -10.159 2.380 42 HG23 THR 6 2HG2 THR 6 113.660 -8.528 2.043 43 H GLY 7 H GLY 7 115.854 -8.404 1.417 44 HA2 GLY 7 1HA GLY 7 116.214 -5.554 2.171 45 HA3 GLY 7 2HA GLY 7 117.233 -6.334 0.957 46 H GLY 8 H GLY 8 115.132 -4.089 0.843 47 HA2 GLY 8 1HA GLY 8 113.747 -5.145 -1.524 48 HA3 GLY 8 2HA GLY 8 112.760 -4.521 -0.211 49 H TYR 9 H TYR 9 112.515 -3.445 -2.648 50 HA TYR 9 HA TYR 9 113.898 -0.828 -2.478 51 HB2 TYR 9 1HB TYR 9 112.723 -2.208 -4.898 52 HB3 TYR 9 2HB TYR 9 113.446 -0.612 -4.890 53 HD1 TYR 9 HD1 TYR 9 115.910 -0.378 -4.391 54 HD2 TYR 9 HD2 TYR 9 114.032 -4.184 -5.046 55 HE1 TYR 9 HE1 TYR 9 118.129 -1.401 -4.811 56 HE2 TYR 9 HE2 TYR 9 116.252 -5.207 -5.468 57 HH TYR 9 HH TYR 9 119.231 -3.244 -5.356 58 H ALA 10 H ALA 10 112.653 0.984 -2.477 59 HA ALA 10 HA ALA 10 109.714 0.613 -2.442 60 HB1 ALA 10 1HB ALA 10 111.078 2.793 -0.905 61 HB2 ALA 10 2HB ALA 10 111.030 1.160 -0.237 62 HB3 ALA 10 3HB ALA 10 109.527 2.009 -0.599 63 H GLN 11 H GLN 11 108.501 2.025 -3.576 64 HA GLN 11 HA GLN 11 109.854 4.354 -4.828 65 HB2 GLN 11 1HB GLN 11 109.093 2.597 -6.447 66 HB3 GLN 11 2HB GLN 11 107.443 2.845 -5.876 67 HG2 GLN 11 1HG GLN 11 107.640 4.222 -7.802 68 HG3 GLN 11 2HG GLN 11 107.783 5.323 -6.433 69 HE21 GLN 11 1HE2 GLN 11 109.522 6.735 -6.585 70 HE22 GLN 11 2HE2 GLN 11 110.946 6.436 -7.459 71 H SER 12 H SER 12 108.998 6.335 -4.359 72 HA SER 12 HA SER 12 106.483 6.365 -2.781 73 HB2 SER 12 1HB SER 12 108.576 7.106 -1.595 74 HB3 SER 12 2HB SER 12 108.704 8.414 -2.766 75 HG SER 12 HG SER 12 107.574 9.177 -1.006 76 H ASP 13 H ASP 13 104.849 7.619 -3.433 77 HA ASP 13 HA ASP 13 104.902 8.534 -6.164 78 HB2 ASP 13 1HB ASP 13 102.720 8.595 -4.069 79 HB3 ASP 13 2HB ASP 13 102.500 9.027 -5.762 80 H ALA 14 H ALA 14 104.691 10.587 -6.923 81 HA ALA 14 HA ALA 14 105.436 12.700 -5.018 82 HB1 ALA 14 1HB ALA 14 106.957 12.362 -6.897 83 HB2 ALA 14 2HB ALA 14 106.176 13.939 -7.017 84 HB3 ALA 14 3HB ALA 14 105.632 12.605 -8.035 85 H GLN 15 H GLN 15 104.310 14.534 -4.773 86 HA GLN 15 HA GLN 15 101.626 14.715 -5.917 87 HB2 GLN 15 1HB GLN 15 102.054 15.198 -3.488 88 HB3 GLN 15 2HB GLN 15 103.026 16.585 -3.982 89 HG2 GLN 15 1HG GLN 15 101.094 17.571 -5.118 90 HG3 GLN 15 2HG GLN 15 100.113 16.167 -4.708 91 HE21 GLN 15 1HE2 GLN 15 99.129 18.569 -3.830 92 HE22 GLN 15 2HE2 GLN 15 99.362 18.748 -2.158 93 H GLY 16 H GLY 16 100.960 16.718 -7.047 94 HA2 GLY 16 1HA GLY 16 102.516 17.145 -9.286 95 HA3 GLY 16 2HA GLY 16 101.253 18.247 -8.753 96 H GLN 17 H GLN 17 103.889 18.705 -10.015 97 HA GLN 17 HA GLN 17 105.685 20.092 -9.936 98 HB2 GLN 17 1HB GLN 17 104.301 21.286 -7.519 99 HB3 GLN 17 2HB GLN 17 105.666 21.989 -8.378 100 HG2 GLN 17 1HG GLN 17 104.364 22.146 -10.427 101 HG3 GLN 17 2HG GLN 17 103.000 21.340 -9.657 102 HE21 GLN 17 1HE2 GLN 17 102.748 23.962 -10.781 103 HE22 GLN 17 2HE2 GLN 17 102.479 25.060 -9.515 104 H MET 18 H MET 18 105.814 17.520 -8.659 105 HA MET 18 HA MET 18 108.294 18.031 -7.211 106 HB2 MET 18 1HB MET 18 106.172 16.220 -6.033 107 HB3 MET 18 2HB MET 18 107.779 16.515 -5.384 108 HG2 MET 18 1HG MET 18 107.223 18.927 -5.146 109 HG3 MET 18 2HG MET 18 105.585 18.580 -5.699 110 HE1 MET 18 3HE MET 18 105.640 19.530 -1.990 111 HE2 MET 18 1HE MET 18 104.231 19.275 -3.027 112 HE3 MET 18 2HE MET 18 105.665 20.076 -3.666 113 H ASN 19 H ASN 19 109.358 15.773 -6.739 114 HA ASN 19 HA ASN 19 109.003 14.122 -9.177 115 HB2 ASN 19 1HB ASN 19 111.421 13.621 -8.967 116 HB3 ASN 19 2HB ASN 19 111.103 15.337 -9.215 117 HD21 ASN 19 1HD2 ASN 19 112.780 16.326 -8.040 118 HD22 ASN 19 2HD2 ASN 19 113.093 16.030 -6.399 119 H LYS 20 H LYS 20 109.736 11.862 -8.956 120 HA LYS 20 HA LYS 20 108.553 10.604 -6.655 121 HB2 LYS 20 1HB LYS 20 110.205 9.376 -8.881 122 HB3 LYS 20 2HB LYS 20 109.159 8.510 -7.757 123 HG2 LYS 20 1HG LYS 20 108.201 10.638 -9.692 124 HG3 LYS 20 2HG LYS 20 108.090 8.901 -9.983 125 HD2 LYS 20 1HD LYS 20 106.767 8.692 -7.859 126 HD3 LYS 20 2HD LYS 20 106.763 10.451 -7.742 127 HE2 LYS 20 1HE LYS 20 105.358 10.711 -9.572 128 HE3 LYS 20 2HE LYS 20 105.856 9.186 -10.305 129 HZ1 LYS 20 3HZ LYS 20 104.773 8.270 -8.090 130 HZ2 LYS 20 1HZ LYS 20 103.864 8.549 -9.493 131 HZ3 LYS 20 2HZ LYS 20 103.862 9.696 -8.241 132 H MET 21 H MET 21 109.731 8.972 -5.321 133 HA MET 21 HA MET 21 112.611 9.639 -5.002 134 HB2 MET 21 1HB MET 21 110.561 9.384 -2.794 135 HB3 MET 21 2HB MET 21 112.302 9.517 -2.543 136 HG2 MET 21 1HG MET 21 112.252 11.679 -3.828 137 HG3 MET 21 2HG MET 21 110.493 11.570 -3.846 138 HE1 MET 21 3HE MET 21 109.415 11.744 -0.225 139 HE2 MET 21 1HE MET 21 110.021 10.196 -0.822 140 HE3 MET 21 2HE MET 21 109.072 11.239 -1.877 141 H GLY 22 H GLY 22 113.871 7.966 -3.910 142 HA2 GLY 22 1HA GLY 22 112.651 5.272 -4.224 143 HA3 GLY 22 2HA GLY 22 114.315 5.638 -4.674 144 H GLY 23 H GLY 23 113.199 3.731 -2.659 145 HA2 GLY 23 1HA GLY 23 114.780 4.682 -0.353 146 HA3 GLY 23 2HA GLY 23 113.156 4.057 -0.105 147 H PHE 24 H PHE 24 115.927 3.152 0.720 148 HA PHE 24 HA PHE 24 115.738 0.360 -0.256 149 HB2 PHE 24 1HB PHE 24 117.928 1.498 -0.589 150 HB3 PHE 24 2HB PHE 24 118.035 1.742 1.145 151 HD1 PHE 24 HD1 PHE 24 118.060 -0.778 -1.566 152 HD2 PHE 24 HD2 PHE 24 118.670 -0.051 2.624 153 HE1 PHE 24 HE1 PHE 24 119.117 -3.010 -1.333 154 HE2 PHE 24 HE2 PHE 24 119.725 -2.282 2.858 155 HZ PHE 24 HZ PHE 24 119.950 -3.761 0.880 156 H ASN 25 H ASN 25 115.241 -1.241 1.217 157 HA ASN 25 HA ASN 25 114.970 -0.398 4.052 158 HB2 ASN 25 1HB ASN 25 112.895 -1.693 4.172 159 HB3 ASN 25 2HB ASN 25 112.771 -0.413 2.968 160 HD21 ASN 25 1HD2 ASN 25 112.120 -1.057 0.902 161 HD22 ASN 25 2HD2 ASN 25 112.118 -2.663 0.350 162 H LEU 26 H LEU 26 115.677 -1.758 5.550 163 HA LEU 26 HA LEU 26 116.401 -4.522 4.761 164 HB2 LEU 26 1HB LEU 26 118.383 -3.046 5.198 165 HB3 LEU 26 2HB LEU 26 117.785 -2.804 6.840 166 HG LEU 26 HG LEU 26 117.752 -5.391 6.987 167 HD11 LEU 26 1HD1 LEU 26 118.112 -6.142 4.803 168 HD12 LEU 26 2HD1 LEU 26 119.736 -6.239 5.479 169 HD13 LEU 26 3HD1 LEU 26 119.289 -4.874 4.456 170 HD21 LEU 26 3HD2 LEU 26 120.324 -5.348 7.364 171 HD22 LEU 26 1HD2 LEU 26 119.326 -4.261 8.332 172 HD23 LEU 26 2HD2 LEU 26 120.207 -3.640 6.935 173 H LYS 27 H LYS 27 115.601 -6.144 6.100 174 HA LYS 27 HA LYS 27 114.090 -5.243 8.492 175 HB2 LYS 27 1HB LYS 27 113.181 -7.210 6.383 176 HB3 LYS 27 2HB LYS 27 112.330 -6.867 7.888 177 HG2 LYS 27 1HG LYS 27 112.186 -4.472 7.220 178 HG3 LYS 27 2HG LYS 27 112.927 -4.884 5.675 179 HD2 LYS 27 1HD LYS 27 111.061 -6.497 5.264 180 HD3 LYS 27 2HD LYS 27 110.294 -5.937 6.752 181 HE2 LYS 27 1HE LYS 27 109.262 -4.643 5.066 182 HE3 LYS 27 2HE LYS 27 110.493 -3.570 5.727 183 HZ1 LYS 27 3HZ LYS 27 111.843 -4.906 3.817 184 HZ2 LYS 27 1HZ LYS 27 111.144 -3.372 3.616 185 HZ3 LYS 27 2HZ LYS 27 110.304 -4.761 3.114 186 H TYR 28 H TYR 28 114.111 -6.537 10.235 187 HA TYR 28 HA TYR 28 115.468 -9.165 10.031 188 HB2 TYR 28 1HB TYR 28 115.514 -7.228 12.354 189 HB3 TYR 28 2HB TYR 28 116.250 -8.819 12.337 190 HD1 TYR 28 HD1 TYR 28 118.187 -9.267 10.782 191 HD2 TYR 28 HD2 TYR 28 116.603 -5.329 11.435 192 HE1 TYR 28 HE1 TYR 28 120.270 -8.278 9.870 193 HE2 TYR 28 HE2 TYR 28 118.684 -4.339 10.522 194 HH TYR 28 HH TYR 28 121.159 -5.143 10.310 195 H ARG 29 H ARG 29 114.432 -10.874 11.015 196 HA ARG 29 HA ARG 29 111.900 -10.295 12.432 197 HB2 ARG 29 1HB ARG 29 111.441 -10.890 10.062 198 HB3 ARG 29 2HB ARG 29 112.265 -12.426 10.317 199 HG2 ARG 29 1HG ARG 29 110.653 -12.997 12.099 200 HG3 ARG 29 2HG ARG 29 109.805 -11.477 11.816 201 HD2 ARG 29 1HD ARG 29 109.433 -12.180 9.445 202 HD3 ARG 29 2HD ARG 29 110.165 -13.736 9.829 203 HE ARG 29 HE ARG 29 107.519 -12.823 10.581 204 HH11 ARG 29 1HH1 ARG 29 110.079 -15.108 11.320 205 HH12 ARG 29 2HH1 ARG 29 109.002 -16.211 12.111 206 HH21 ARG 29 1HH2 ARG 29 106.182 -14.281 11.610 207 HH22 ARG 29 2HH2 ARG 29 106.824 -15.747 12.271 208 H TYR 30 H TYR 30 111.355 -11.665 14.078 209 HA TYR 30 HA TYR 30 113.369 -13.691 14.827 210 HB2 TYR 30 1HB TYR 30 111.207 -12.358 16.467 211 HB3 TYR 30 2HB TYR 30 112.334 -13.559 17.067 212 HD1 TYR 30 HD1 TYR 30 111.905 -10.073 15.984 213 HD2 TYR 30 HD2 TYR 30 114.683 -12.998 17.458 214 HE1 TYR 30 HE1 TYR 30 113.518 -8.268 16.521 215 HE2 TYR 30 HE2 TYR 30 116.296 -11.194 17.996 216 HH TYR 30 HH TYR 30 115.444 -7.773 17.541 217 H GLU 31 H GLU 31 112.735 -15.827 15.238 218 HA GLU 31 HA GLU 31 110.235 -16.564 13.904 219 HB2 GLU 31 1HB GLU 31 112.386 -17.688 13.305 220 HB3 GLU 31 2HB GLU 31 112.443 -18.357 14.934 221 HG2 GLU 31 1HG GLU 31 110.218 -19.407 14.545 222 HG3 GLU 31 2HG GLU 31 110.252 -18.809 12.892 223 H GLU 32 H GLU 32 108.485 -17.147 14.946 224 HA GLU 32 HA GLU 32 108.656 -17.968 17.776 225 HB2 GLU 32 1HB GLU 32 106.762 -15.914 16.609 226 HB3 GLU 32 2HB GLU 32 106.695 -16.539 18.256 227 HG2 GLU 32 1HG GLU 32 109.057 -15.086 17.036 228 HG3 GLU 32 2HG GLU 32 107.893 -14.371 18.144 229 H ASP 33 H ASP 33 106.911 -19.238 18.516 230 HA ASP 33 HA ASP 33 105.800 -20.957 16.507 231 HB2 ASP 33 1HB ASP 33 104.885 -22.240 18.328 232 HB3 ASP 33 2HB ASP 33 106.533 -21.783 18.736 233 H ASN 34 H ASN 34 103.311 -21.578 17.126 234 HA ASN 34 HA ASN 34 101.842 -19.664 15.752 235 HB2 ASN 34 1HB ASN 34 101.288 -22.097 16.048 236 HB3 ASN 34 2HB ASN 34 100.678 -21.693 17.652 237 HD21 ASN 34 1HD2 ASN 34 98.469 -21.296 17.669 238 HD22 ASN 34 2HD2 ASN 34 97.580 -20.674 16.365 239 H SER 35 H SER 35 102.225 -19.978 19.297 240 HA SER 35 HA SER 35 99.856 -18.345 19.718 241 HB2 SER 35 1HB SER 35 101.758 -19.751 21.572 242 HB3 SER 35 2HB SER 35 100.488 -18.683 22.161 243 HG SER 35 HG SER 35 99.645 -20.738 22.053 244 HA PRO 36 HA PRO 36 102.732 -14.896 20.558 245 HB2 PRO 36 1HB PRO 36 105.436 -15.099 20.466 246 HB3 PRO 36 2HB PRO 36 104.498 -15.495 21.917 247 HG2 PRO 36 1HG PRO 36 105.885 -17.270 20.048 248 HG3 PRO 36 2HG PRO 36 105.403 -17.545 21.726 249 HD2 PRO 36 1HD PRO 36 104.068 -18.462 19.362 250 HD3 PRO 36 2HD PRO 36 103.582 -18.702 21.048 251 H LEU 37 H LEU 37 103.149 -13.301 19.086 252 HA LEU 37 HA LEU 37 103.223 -14.061 16.306 253 HB2 LEU 37 1HB LEU 37 103.269 -11.303 17.555 254 HB3 LEU 37 2HB LEU 37 102.927 -11.680 15.867 255 HG LEU 37 HG LEU 37 101.288 -12.662 18.222 256 HD11 LEU 37 1HD1 LEU 37 99.645 -11.020 17.591 257 HD12 LEU 37 2HD1 LEU 37 100.556 -10.582 16.147 258 HD13 LEU 37 3HD1 LEU 37 101.185 -10.173 17.741 259 HD21 LEU 37 3HD2 LEU 37 100.964 -12.883 15.216 260 HD22 LEU 37 1HD2 LEU 37 99.664 -13.224 16.358 261 HD23 LEU 37 2HD2 LEU 37 101.129 -14.204 16.373 262 H GLY 38 H GLY 38 104.686 -12.888 14.760 263 HA2 GLY 38 1HA GLY 38 107.451 -13.165 15.723 264 HA3 GLY 38 2HA GLY 38 106.939 -13.113 14.036 265 H VAL 39 H VAL 39 108.952 -11.445 15.637 266 HA VAL 39 HA VAL 39 107.650 -8.792 15.467 267 HB VAL 39 HB VAL 39 110.235 -9.566 16.847 268 HG11 VAL 39 1HG1 VAL 39 108.593 -7.025 16.744 269 HG12 VAL 39 2HG1 VAL 39 110.276 -7.237 16.262 270 HG13 VAL 39 3HG1 VAL 39 109.829 -7.319 17.967 271 HG21 VAL 39 3HG2 VAL 39 107.433 -9.108 17.919 272 HG22 VAL 39 1HG2 VAL 39 108.875 -9.216 18.931 273 HG23 VAL 39 2HG2 VAL 39 108.355 -10.610 17.983 274 H ILE 40 H ILE 40 108.160 -7.487 13.832 275 HA ILE 40 HA ILE 40 110.694 -7.979 12.369 276 HB ILE 40 HB ILE 40 108.036 -7.087 11.220 277 HG12 ILE 40 1HG1 ILE 40 109.572 -9.664 10.802 278 HG13 ILE 40 2HG1 ILE 40 108.197 -9.509 11.898 279 HG21 ILE 40 1HG2 ILE 40 110.022 -6.124 10.070 280 HG22 ILE 40 2HG2 ILE 40 109.174 -7.285 9.052 281 HG23 ILE 40 3HG2 ILE 40 110.671 -7.749 9.862 282 HD11 ILE 40 3HD1 ILE 40 107.497 -10.389 9.693 283 HD12 ILE 40 1HD1 ILE 40 108.138 -8.942 8.917 284 HD13 ILE 40 2HD1 ILE 40 106.766 -8.820 10.017 285 H GLY 41 H GLY 41 111.978 -6.280 12.091 286 HA2 GLY 41 1HA GLY 41 110.896 -3.563 12.582 287 HA3 GLY 41 2HA GLY 41 112.475 -4.065 13.185 288 H SER 42 H SER 42 111.510 -2.010 11.099 289 HA SER 42 HA SER 42 113.318 -2.878 8.918 290 HB2 SER 42 1HB SER 42 110.919 -3.166 8.270 291 HB3 SER 42 2HB SER 42 110.683 -1.442 8.540 292 HG SER 42 HG SER 42 112.600 -1.283 7.033 293 H PHE 43 H PHE 43 114.707 -1.384 8.216 294 HA PHE 43 HA PHE 43 114.348 1.422 9.115 295 HB2 PHE 43 1HB PHE 43 116.344 0.257 10.051 296 HB3 PHE 43 2HB PHE 43 116.913 -0.017 8.416 297 HD1 PHE 43 HD1 PHE 43 116.244 2.544 11.000 298 HD2 PHE 43 HD2 PHE 43 117.949 1.746 7.139 299 HE1 PHE 43 HE1 PHE 43 117.357 4.761 11.033 300 HE2 PHE 43 HE2 PHE 43 119.061 3.963 7.172 301 HZ PHE 43 HZ PHE 43 118.764 5.470 9.118 302 H THR 44 H THR 44 114.107 2.909 7.532 303 HA THR 44 HA THR 44 114.763 2.099 4.753 304 HB THR 44 HB THR 44 112.383 3.752 5.625 305 HG1 THR 44 HG1 THR 44 111.209 1.906 5.227 306 HG21 THR 44 3HG2 THR 44 113.346 4.161 3.333 307 HG22 THR 44 1HG2 THR 44 111.690 3.555 3.318 308 HG23 THR 44 2HG2 THR 44 113.032 2.467 2.959 309 H TYR 45 H TYR 45 115.822 3.533 3.543 310 HA TYR 45 HA TYR 45 116.133 6.305 4.549 311 HB2 TYR 45 1HB TYR 45 118.196 4.999 4.877 312 HB3 TYR 45 2HB TYR 45 118.203 4.583 3.174 313 HD1 TYR 45 HD1 TYR 45 118.812 6.236 1.477 314 HD2 TYR 45 HD2 TYR 45 118.790 7.228 5.654 315 HE1 TYR 45 HE1 TYR 45 120.112 8.293 0.994 316 HE2 TYR 45 HE2 TYR 45 120.090 9.286 5.174 317 HH TYR 45 HH TYR 45 121.831 9.822 2.705 318 H THR 46 H THR 46 115.709 7.883 3.070 319 HA THR 46 HA THR 46 114.900 6.980 0.383 320 HB THR 46 HB THR 46 114.298 9.607 1.755 321 HG1 THR 46 HG1 THR 46 112.997 7.113 1.691 322 HG21 THR 46 3HG2 THR 46 113.286 8.241 -0.747 323 HG22 THR 46 1HG2 THR 46 114.078 9.811 -0.622 324 HG23 THR 46 2HG2 THR 46 112.448 9.594 0.013 325 H GLU 47 H GLU 47 115.623 8.009 -1.483 326 HA GLU 47 HA GLU 47 117.773 9.985 -1.207 327 HB2 GLU 47 1HB GLU 47 118.808 7.701 -1.210 328 HB3 GLU 47 2HB GLU 47 118.108 7.439 -2.809 329 HG2 GLU 47 1HG GLU 47 119.309 9.456 -3.633 330 HG3 GLU 47 2HG GLU 47 120.057 9.634 -2.051 331 H LYS 48 H LYS 48 118.005 11.320 -2.963 332 HA LYS 48 HA LYS 48 116.450 10.727 -5.389 333 HB2 LYS 48 1HB LYS 48 115.136 12.308 -3.984 334 HB3 LYS 48 2HB LYS 48 116.499 13.425 -4.011 335 HG2 LYS 48 1HG LYS 48 115.053 14.173 -5.741 336 HG3 LYS 48 2HG LYS 48 116.340 13.311 -6.577 337 HD2 LYS 48 1HD LYS 48 114.923 11.297 -6.700 338 HD3 LYS 48 2HD LYS 48 113.638 12.145 -5.843 339 HE2 LYS 48 1HE LYS 48 112.935 12.531 -8.000 340 HE3 LYS 48 2HE LYS 48 114.016 13.912 -7.833 341 HZ1 LYS 48 3HZ LYS 48 115.783 12.218 -8.647 342 HZ2 LYS 48 1HZ LYS 48 114.756 12.967 -9.769 343 HZ3 LYS 48 2HZ LYS 48 114.440 11.378 -9.258 344 H SER 49 H SER 49 117.499 11.232 -7.256 345 HA SER 49 HA SER 49 120.292 11.715 -7.166 346 HB2 SER 49 1HB SER 49 120.219 11.643 -9.547 347 HB3 SER 49 2HB SER 49 118.997 10.506 -8.990 348 HG SER 49 HG SER 49 118.003 11.760 -10.496 349 H ARG 50 H ARG 50 121.456 13.515 -8.030 350 HA ARG 50 HA ARG 50 120.701 16.018 -7.068 351 HB2 ARG 50 1HB ARG 50 122.635 15.346 -9.300 352 HB3 ARG 50 2HB ARG 50 122.542 16.902 -8.471 353 HG2 ARG 50 1HG ARG 50 123.027 15.776 -6.320 354 HG3 ARG 50 2HG ARG 50 123.157 14.234 -7.167 355 HD2 ARG 50 1HD ARG 50 125.392 15.088 -6.889 356 HD3 ARG 50 2HD ARG 50 124.967 15.261 -8.589 357 HE ARG 50 HE ARG 50 124.348 17.604 -7.035 358 HH11 ARG 50 1HH1 ARG 50 126.930 15.976 -8.768 359 HH12 ARG 50 2HH1 ARG 50 127.813 17.443 -9.030 360 HH21 ARG 50 1HH2 ARG 50 125.528 19.460 -7.402 361 HH22 ARG 50 2HH2 ARG 50 127.028 19.389 -8.266 362 H THR 51 H THR 51 119.934 17.890 -8.057 363 HA THR 51 HA THR 51 118.432 17.455 -10.574 364 HB THR 51 HB THR 51 116.893 19.182 -9.790 365 HG1 THR 51 HG1 THR 51 118.138 20.487 -8.571 366 HG21 THR 51 3HG2 THR 51 116.496 16.833 -9.112 367 HG22 THR 51 1HG2 THR 51 115.910 17.971 -7.899 368 HG23 THR 51 2HG2 THR 51 117.429 17.113 -7.642 369 H ALA 52 H ALA 52 117.959 19.728 -11.623 370 HA ALA 52 HA ALA 52 120.381 20.685 -12.656 371 HB1 ALA 52 1HB ALA 52 119.092 22.297 -13.820 372 HB2 ALA 52 2HB ALA 52 117.839 22.310 -12.576 373 HB3 ALA 52 3HB ALA 52 118.019 20.910 -13.634 374 H SER 53 H SER 53 121.536 22.590 -12.321 375 HA SER 53 HA SER 53 122.590 24.172 -11.066 376 HB2 SER 53 1HB SER 53 121.296 25.817 -10.074 377 HB3 SER 53 2HB SER 53 120.148 25.095 -11.192 378 HG SER 53 HG SER 53 119.548 25.440 -8.854 379 H SER 54 H SER 54 123.945 24.032 -9.383 380 HA SER 54 HA SER 54 123.642 21.781 -7.594 381 HB2 SER 54 1HB SER 54 125.822 23.849 -7.905 382 HB3 SER 54 2HB SER 54 125.893 22.503 -6.773 383 HG SER 54 HG SER 54 126.541 22.496 -9.311 384 H GLY 55 H GLY 55 122.062 24.537 -7.331 385 HA2 GLY 55 1HA GLY 55 122.826 25.553 -4.774 386 HA3 GLY 55 2HA GLY 55 121.313 25.881 -5.611 387 H ASP 56 H ASP 56 120.513 23.102 -5.854 388 HA ASP 56 HA ASP 56 120.230 22.217 -3.074 389 HB2 ASP 56 1HB ASP 56 117.851 22.781 -4.856 390 HB3 ASP 56 2HB ASP 56 117.797 22.110 -3.228 391 H TYR 57 H TYR 57 121.313 20.325 -3.529 392 HA TYR 57 HA TYR 57 119.804 18.400 -5.183 393 HB2 TYR 57 1HB TYR 57 121.830 17.484 -6.075 394 HB3 TYR 57 2HB TYR 57 121.803 19.203 -6.408 395 HD1 TYR 57 HD2 TYR 57 123.377 20.722 -5.302 396 HD2 TYR 57 HD1 TYR 57 123.413 16.502 -4.518 397 HE1 TYR 57 HE2 TYR 57 125.606 20.940 -4.238 398 HE2 TYR 57 HE1 TYR 57 125.641 16.717 -3.450 399 HH TYR 57 HH TYR 57 127.557 19.511 -3.753 400 H ASN 58 H ASN 58 119.593 16.398 -4.344 401 HA ASN 58 HA ASN 58 119.053 15.108 -2.510 402 HB2 ASN 58 1HB ASN 58 120.936 13.757 -1.827 403 HB3 ASN 58 2HB ASN 58 121.006 14.067 -3.555 404 HD21 ASN 58 1HD2 ASN 58 123.268 13.965 -3.860 405 HD22 ASN 58 2HD2 ASN 58 124.366 15.007 -3.091 406 H LYS 59 H LYS 59 119.199 17.901 -1.686 407 HA LYS 59 HA LYS 59 120.606 18.134 0.770 408 HB2 LYS 59 1HB LYS 59 118.148 19.620 -0.178 409 HB3 LYS 59 2HB LYS 59 119.182 20.096 1.167 410 HG2 LYS 59 1HG LYS 59 120.131 19.786 -1.695 411 HG3 LYS 59 2HG LYS 59 119.716 21.325 -0.940 412 HD2 LYS 59 1HD LYS 59 121.434 20.789 0.851 413 HD3 LYS 59 2HD LYS 59 121.950 19.438 -0.157 414 HE2 LYS 59 1HE LYS 59 123.380 21.316 -0.660 415 HE3 LYS 59 2HE LYS 59 122.310 21.070 -2.038 416 HZ1 LYS 59 3HZ LYS 59 120.960 22.861 -1.386 417 HZ2 LYS 59 1HZ LYS 59 122.553 23.425 -1.228 418 HZ3 LYS 59 2HZ LYS 59 121.677 22.960 0.152 419 H ASN 60 H ASN 60 117.391 16.926 -0.027 420 HA ASN 60 HA ASN 60 116.713 16.779 2.829 421 HB2 ASN 60 1HB ASN 60 114.438 16.286 2.050 422 HB3 ASN 60 2HB ASN 60 115.050 17.775 1.333 423 HD21 ASN 60 1HD2 ASN 60 115.219 17.865 -0.951 424 HD22 ASN 60 2HD2 ASN 60 114.859 16.555 -1.967 425 H GLN 61 H GLN 61 116.758 14.947 3.946 426 HA GLN 61 HA GLN 61 116.754 12.371 2.478 427 HB2 GLN 61 1HB GLN 61 118.364 13.117 4.937 428 HB3 GLN 61 2HB GLN 61 118.260 11.496 4.248 429 HG2 GLN 61 1HG GLN 61 119.228 12.288 2.150 430 HG3 GLN 61 2HG GLN 61 119.254 13.940 2.757 431 HE21 GLN 61 1HE2 GLN 61 121.653 12.656 1.905 432 HE22 GLN 61 2HE2 GLN 61 122.642 12.403 3.262 433 H TYR 62 H TYR 62 115.614 10.671 3.495 434 HA TYR 62 HA TYR 62 113.963 11.479 5.826 435 HB2 TYR 62 1HB TYR 62 113.136 9.748 3.494 436 HB3 TYR 62 2HB TYR 62 112.154 10.112 4.899 437 HD1 TYR 62 HD2 TYR 62 111.142 12.319 5.190 438 HD2 TYR 62 HD1 TYR 62 113.554 11.407 1.756 439 HE1 TYR 62 HE2 TYR 62 110.289 14.350 4.052 440 HE2 TYR 62 HE1 TYR 62 112.701 13.438 0.617 441 HH TYR 62 HH TYR 62 110.054 14.991 1.372 442 H TYR 63 H TYR 63 113.788 10.065 7.464 443 HA TYR 63 HA TYR 63 115.003 7.380 7.140 444 HB2 TYR 63 1HB TYR 63 115.189 9.143 9.586 445 HB3 TYR 63 2HB TYR 63 115.902 7.554 9.389 446 HD1 TYR 63 HD1 TYR 63 117.899 7.237 7.988 447 HD2 TYR 63 HD2 TYR 63 116.156 11.119 8.572 448 HE1 TYR 63 HE1 TYR 63 119.961 8.297 7.107 449 HE2 TYR 63 HE2 TYR 63 118.217 12.178 7.690 450 HH TYR 63 HH TYR 63 120.967 10.197 6.572 451 H GLY 64 H GLY 64 113.756 5.722 7.919 452 HA2 GLY 64 1HA GLY 64 111.501 6.415 9.711 453 HA3 GLY 64 2HA GLY 64 111.213 5.485 8.245 454 H ILE 65 H ILE 65 111.180 5.019 11.333 455 HA ILE 65 HA ILE 65 112.425 2.329 11.163 456 HB ILE 65 HB ILE 65 112.113 4.041 13.649 457 HG12 ILE 65 1HG1 ILE 65 114.634 3.245 12.158 458 HG13 ILE 65 2HG1 ILE 65 113.874 4.833 12.036 459 HG21 ILE 65 1HG2 ILE 65 113.561 1.407 13.232 460 HG22 ILE 65 2HG2 ILE 65 111.963 1.555 13.964 461 HG23 ILE 65 3HG2 ILE 65 113.365 2.274 14.756 462 HD11 ILE 65 3HD1 ILE 65 115.037 3.548 14.522 463 HD12 ILE 65 1HD1 ILE 65 114.078 5.029 14.545 464 HD13 ILE 65 2HD1 ILE 65 115.622 4.992 13.694 465 H THR 66 H THR 66 110.912 0.777 11.166 466 HA THR 66 HA THR 66 108.302 1.357 12.462 467 HB THR 66 HB THR 66 107.152 0.236 10.710 468 HG1 THR 66 HG1 THR 66 109.735 -0.598 10.016 469 HG21 THR 66 3HG2 THR 66 107.243 2.008 9.344 470 HG22 THR 66 1HG2 THR 66 108.796 1.471 8.711 471 HG23 THR 66 2HG2 THR 66 108.737 2.527 10.122 472 H ALA 67 H ALA 67 107.198 -0.439 13.376 473 HA ALA 67 HA ALA 67 108.595 -3.007 13.467 474 HB1 ALA 67 1HB ALA 67 108.535 -3.138 15.891 475 HB2 ALA 67 2HB ALA 67 107.756 -1.560 15.993 476 HB3 ALA 67 3HB ALA 67 109.423 -1.687 15.428 477 H GLY 68 H GLY 68 107.153 -4.768 13.848 478 HA2 GLY 68 1HA GLY 68 104.430 -4.288 14.660 479 HA3 GLY 68 2HA GLY 68 104.577 -4.515 12.926 480 HA PRO 69 HA PRO 69 104.651 -8.765 14.766 481 HB2 PRO 69 1HB PRO 69 102.097 -9.384 15.375 482 HB3 PRO 69 2HB PRO 69 103.141 -8.501 16.506 483 HG2 PRO 69 1HG PRO 69 100.864 -7.545 14.938 484 HG3 PRO 69 2HG PRO 69 101.592 -6.874 16.406 485 HD2 PRO 69 1HD PRO 69 102.010 -6.038 13.667 486 HD3 PRO 69 2HD PRO 69 102.671 -5.318 15.151 487 H ALA 70 H ALA 70 104.905 -10.095 13.098 488 HA ALA 70 HA ALA 70 103.104 -10.221 10.832 489 HB1 ALA 70 1HB ALA 70 105.422 -10.625 10.371 490 HB2 ALA 70 2HB ALA 70 104.583 -12.166 10.190 491 HB3 ALA 70 3HB ALA 70 105.523 -11.840 11.646 492 H TYR 71 H TYR 71 101.541 -11.764 10.458 493 HA TYR 71 HA TYR 71 101.216 -13.911 12.473 494 HB2 TYR 71 1HB TYR 71 99.141 -12.710 10.625 495 HB3 TYR 71 2HB TYR 71 98.862 -13.977 11.805 496 HD1 TYR 71 HD1 TYR 71 99.505 -10.382 11.305 497 HD2 TYR 71 HD2 TYR 71 98.666 -13.468 14.173 498 HE1 TYR 71 HE1 TYR 71 98.970 -8.657 13.003 499 HE2 TYR 71 HE2 TYR 71 98.133 -11.743 15.874 500 HH TYR 71 HH TYR 71 97.267 -9.100 15.599 501 H ARG 72 H ARG 72 101.561 -15.955 11.691 502 HA ARG 72 HA ARG 72 102.295 -16.091 8.851 503 HB2 ARG 72 1HB ARG 72 103.924 -16.789 10.606 504 HB3 ARG 72 2HB ARG 72 102.827 -18.099 11.049 505 HG2 ARG 72 1HG ARG 72 102.946 -18.960 8.725 506 HG3 ARG 72 2HG ARG 72 104.097 -17.684 8.327 507 HD2 ARG 72 1HD ARG 72 105.607 -18.545 10.119 508 HD3 ARG 72 2HD ARG 72 104.483 -19.876 10.382 509 HE ARG 72 HE ARG 72 105.455 -19.546 7.654 510 HH11 ARG 72 1HH1 ARG 72 105.847 -21.234 10.706 511 HH12 ARG 72 2HH1 ARG 72 106.730 -22.539 9.987 512 HH21 ARG 72 1HH2 ARG 72 106.598 -21.252 6.783 513 HH22 ARG 72 2HH2 ARG 72 107.150 -22.547 7.792 514 H ILE 73 H ILE 73 100.621 -16.570 7.613 515 HA ILE 73 HA ILE 73 98.928 -18.880 8.244 516 HB ILE 73 HB ILE 73 98.813 -16.946 5.912 517 HG12 ILE 73 1HG1 ILE 73 97.111 -17.164 8.416 518 HG13 ILE 73 2HG1 ILE 73 98.327 -15.926 8.130 519 HG21 ILE 73 1HG2 ILE 73 97.853 -19.188 5.431 520 HG22 ILE 73 2HG2 ILE 73 96.602 -17.947 5.510 521 HG23 ILE 73 3HG2 ILE 73 96.840 -19.048 6.870 522 HD11 ILE 73 3HD1 ILE 73 96.859 -14.686 6.961 523 HD12 ILE 73 1HD1 ILE 73 95.606 -15.837 7.404 524 HD13 ILE 73 2HD1 ILE 73 96.476 -16.028 5.887 525 H ASN 74 H ASN 74 99.205 -20.839 7.273 526 HA ASN 74 HA ASN 74 101.722 -21.426 6.147 527 HB2 ASN 74 1HB ASN 74 99.161 -23.034 6.066 528 HB3 ASN 74 2HB ASN 74 100.765 -23.657 5.681 529 HD21 ASN 74 1HD2 ASN 74 102.325 -22.483 7.708 530 HD22 ASN 74 2HD2 ASN 74 101.801 -23.050 9.219 531 H ASP 75 H ASP 75 98.571 -20.810 4.626 532 HA ASP 75 HA ASP 75 99.496 -21.268 1.952 533 HB2 ASP 75 1HB ASP 75 97.182 -19.580 2.942 534 HB3 ASP 75 2HB ASP 75 97.440 -20.106 1.280 535 H TRP 76 H TRP 76 99.104 -19.161 0.423 536 HA TRP 76 HA TRP 76 101.163 -17.278 1.253 537 HB2 TRP 76 1HB TRP 76 101.076 -16.464 -1.013 538 HB3 TRP 76 2HB TRP 76 101.127 -18.216 -1.035 539 HD1 TRP 76 HD1 TRP 76 98.671 -19.440 -1.457 540 HE1 TRP 76 HE1 TRP 76 96.758 -18.689 -3.012 541 HE3 TRP 76 HE3 TRP 76 99.902 -14.521 -2.058 542 HZ2 TRP 76 HZ2 TRP 76 95.867 -16.312 -4.341 543 HZ3 TRP 76 HZ3 TRP 76 98.510 -13.040 -3.470 544 HH2 TRP 76 HH2 TRP 76 96.496 -13.925 -4.611 545 H ALA 77 H ALA 77 99.071 -17.015 2.939 546 HA ALA 77 HA ALA 77 97.666 -14.566 2.060 547 HB1 ALA 77 1HB ALA 77 95.950 -16.130 2.194 548 HB2 ALA 77 2HB ALA 77 95.914 -15.386 3.793 549 HB3 ALA 77 3HB ALA 77 96.678 -16.960 3.569 550 H SER 78 H SER 78 100.261 -14.826 3.638 551 HA SER 78 HA SER 78 99.605 -14.633 6.423 552 HB2 SER 78 1HB SER 78 101.783 -15.489 5.701 553 HB3 SER 78 2HB SER 78 102.143 -13.949 4.930 554 HG SER 78 HG SER 78 101.913 -14.594 7.665 555 H ILE 79 H ILE 79 99.884 -12.743 7.776 556 HA ILE 79 HA ILE 79 99.329 -10.230 6.292 557 HB ILE 79 HB ILE 79 97.921 -11.172 8.805 558 HG12 ILE 79 1HG1 ILE 79 96.832 -10.860 5.990 559 HG13 ILE 79 2HG1 ILE 79 97.276 -12.408 6.708 560 HG21 ILE 79 1HG2 ILE 79 98.263 -8.686 8.516 561 HG22 ILE 79 2HG2 ILE 79 96.571 -9.183 8.552 562 HG23 ILE 79 3HG2 ILE 79 97.342 -8.796 7.014 563 HD11 ILE 79 3HD1 ILE 79 94.956 -12.245 7.116 564 HD12 ILE 79 1HD1 ILE 79 95.060 -10.533 7.523 565 HD13 ILE 79 2HD1 ILE 79 95.688 -11.743 8.640 566 H TYR 80 H TYR 80 100.617 -8.625 6.873 567 HA TYR 80 HA TYR 80 101.787 -8.639 9.601 568 HB2 TYR 80 1HB TYR 80 103.490 -9.209 7.955 569 HB3 TYR 80 2HB TYR 80 103.052 -7.820 6.981 570 HD1 TYR 80 HD1 TYR 80 103.789 -8.327 10.632 571 HD2 TYR 80 HD2 TYR 80 104.716 -6.217 7.007 572 HE1 TYR 80 HE1 TYR 80 105.461 -6.960 11.852 573 HE2 TYR 80 HE2 TYR 80 106.385 -4.850 8.231 574 HH TYR 80 HH TYR 80 107.756 -5.013 10.270 575 H GLY 81 H GLY 81 101.453 -6.809 10.745 576 HA2 GLY 81 1HA GLY 81 100.681 -4.349 9.252 577 HA3 GLY 81 2HA GLY 81 99.959 -4.790 10.800 578 H VAL 82 H VAL 82 101.774 -2.452 9.844 579 HA VAL 82 HA VAL 82 103.700 -2.658 12.059 580 HB VAL 82 HB VAL 82 104.707 -3.561 9.954 581 HG11 VAL 82 1HG1 VAL 82 105.156 -2.225 8.084 582 HG12 VAL 82 2HG1 VAL 82 104.827 -0.727 8.956 583 HG13 VAL 82 3HG1 VAL 82 103.499 -1.796 8.507 584 HG21 VAL 82 3HG2 VAL 82 106.322 -2.904 11.477 585 HG22 VAL 82 1HG2 VAL 82 105.823 -1.215 11.444 586 HG23 VAL 82 2HG2 VAL 82 106.734 -1.892 10.096 587 H VAL 83 H VAL 83 104.355 -0.705 12.939 588 HA VAL 83 HA VAL 83 103.304 1.763 11.690 589 HB VAL 83 HB VAL 83 102.870 2.646 13.975 590 HG11 VAL 83 1HG1 VAL 83 100.931 0.913 14.452 591 HG12 VAL 83 2HG1 VAL 83 101.431 0.247 12.899 592 HG13 VAL 83 3HG1 VAL 83 100.893 1.922 13.007 593 HG21 VAL 83 3HG2 VAL 83 103.545 -0.204 14.764 594 HG22 VAL 83 1HG2 VAL 83 102.718 0.935 15.827 595 HG23 VAL 83 2HG2 VAL 83 104.364 1.268 15.288 596 H GLY 84 H GLY 84 104.731 3.521 11.777 597 HA2 GLY 84 1HA GLY 84 107.239 3.169 13.258 598 HA3 GLY 84 2HA GLY 84 107.348 3.277 11.506 599 H VAL 85 H VAL 85 108.709 5.108 12.793 600 HA VAL 85 HA VAL 85 107.083 7.577 12.502 601 HB VAL 85 HB VAL 85 108.726 8.670 13.996 602 HG11 VAL 85 1HG1 VAL 85 106.801 7.982 15.150 603 HG12 VAL 85 2HG1 VAL 85 108.098 7.237 16.084 604 HG13 VAL 85 3HG1 VAL 85 107.171 6.271 14.936 605 HG21 VAL 85 3HG2 VAL 85 110.684 7.303 13.647 606 HG22 VAL 85 1HG2 VAL 85 109.834 5.855 14.191 607 HG23 VAL 85 2HG2 VAL 85 110.221 7.133 15.340 608 H GLY 86 H GLY 86 107.645 8.816 10.833 609 HA2 GLY 86 1HA GLY 86 110.339 8.426 9.628 610 HA3 GLY 86 2HA GLY 86 108.883 8.665 8.665 611 H TYR 87 H TYR 87 111.505 10.262 9.183 612 HA TYR 87 HA TYR 87 110.125 12.856 9.364 613 HB2 TYR 87 1HB TYR 87 111.703 13.763 10.899 614 HB3 TYR 87 2HB TYR 87 111.051 12.294 11.594 615 HD1 TYR 87 HD1 TYR 87 114.023 13.921 10.170 616 HD2 TYR 87 HD2 TYR 87 112.454 10.315 11.894 617 HE1 TYR 87 HE1 TYR 87 116.331 13.082 10.511 618 HE2 TYR 87 HE2 TYR 87 114.762 9.473 12.233 619 HH TYR 87 HH TYR 87 117.198 10.852 12.513 620 H GLY 88 H GLY 88 111.302 14.623 8.505 621 HA2 GLY 88 1HA GLY 88 113.353 13.834 6.505 622 HA3 GLY 88 2HA GLY 88 112.084 15.009 6.164 623 H LYS 89 H LYS 89 115.153 15.110 6.330 624 HA LYS 89 HA LYS 89 115.260 17.617 7.860 625 HB2 LYS 89 1HB LYS 89 116.020 15.780 9.370 626 HB3 LYS 89 2HB LYS 89 117.296 15.405 8.212 627 HG2 LYS 89 1HG LYS 89 118.147 17.732 8.433 628 HG3 LYS 89 2HG LYS 89 116.914 18.044 9.657 629 HD2 LYS 89 1HD LYS 89 117.850 16.142 10.998 630 HD3 LYS 89 2HD LYS 89 119.156 16.010 9.821 631 HE2 LYS 89 1HE LYS 89 119.766 18.380 10.270 632 HE3 LYS 89 2HE LYS 89 118.511 18.448 11.506 633 HZ1 LYS 89 3HZ LYS 89 119.679 17.116 12.904 634 HZ2 LYS 89 1HZ LYS 89 120.984 17.829 12.085 635 HZ3 LYS 89 2HZ LYS 89 120.459 16.272 11.653 636 H PHE 90 H PHE 90 116.744 19.106 7.076 637 HA PHE 90 HA PHE 90 118.020 18.404 4.515 638 HB2 PHE 90 1HB PHE 90 117.511 21.078 5.824 639 HB3 PHE 90 2HB PHE 90 118.311 20.859 4.281 640 HD1 PHE 90 HD1 PHE 90 117.031 20.010 2.318 641 HD2 PHE 90 HD2 PHE 90 115.129 20.928 6.059 642 HE1 PHE 90 HE1 PHE 90 114.823 20.040 1.189 643 HE2 PHE 90 HE2 PHE 90 112.921 20.958 4.929 644 HZ PHE 90 HZ PHE 90 112.768 20.513 2.495 645 H GLN 91 H GLN 91 120.170 18.203 4.341 646 HA GLN 91 HA GLN 91 121.819 18.870 6.712 647 HB2 GLN 91 1HB GLN 91 121.622 16.446 6.149 648 HB3 GLN 91 2HB GLN 91 122.359 16.789 4.583 649 HG2 GLN 91 1HG GLN 91 124.368 17.654 5.691 650 HG3 GLN 91 2HG GLN 91 123.634 17.382 7.268 651 HE21 GLN 91 1HE2 GLN 91 126.028 16.111 6.873 652 HE22 GLN 91 2HE2 GLN 91 125.801 14.450 6.610 653 H THR 92 H THR 92 123.758 19.925 6.442 654 HA THR 92 HA THR 92 124.034 21.599 4.135 655 HB THR 92 HB THR 92 126.036 21.081 6.349 656 HG1 THR 92 HG1 THR 92 124.794 22.253 7.547 657 HG21 THR 92 3HG2 THR 92 125.656 23.388 4.420 658 HG22 THR 92 1HG2 THR 92 126.975 22.218 4.389 659 HG23 THR 92 2HG2 THR 92 126.829 23.346 5.736 660 H THR 93 H THR 93 125.437 21.436 2.425 661 HA THR 93 HA THR 93 126.165 18.893 1.526 662 HB THR 93 HB THR 93 127.408 21.523 0.689 663 HG1 THR 93 HG1 THR 93 125.628 21.890 -0.378 664 HG21 THR 93 3HG2 THR 93 128.508 19.425 -0.121 665 HG22 THR 93 1HG2 THR 93 127.807 20.388 -1.421 666 HG23 THR 93 2HG2 THR 93 126.973 18.945 -0.843 667 H GLU 94 H GLU 94 128.233 21.447 2.927 668 HA GLU 94 HA GLU 94 129.898 19.632 4.311 669 HB2 GLU 94 1HB GLU 94 130.615 19.079 1.974 670 HB3 GLU 94 2HB GLU 94 131.154 20.748 1.795 671 HG2 GLU 94 1HG GLU 94 132.640 20.450 3.768 672 HG3 GLU 94 2HG GLU 94 132.150 18.764 3.856 673 H TYR 95 H TYR 95 130.622 22.566 2.403 674 HA TYR 95 HA TYR 95 131.704 23.783 4.843 675 HB2 TYR 95 1HB TYR 95 132.697 23.645 2.261 676 HB3 TYR 95 2HB TYR 95 132.082 25.280 2.344 677 HD1 TYR 95 HD1 TYR 95 134.366 22.844 3.983 678 HD2 TYR 95 HD2 TYR 95 133.257 26.969 3.524 679 HE1 TYR 95 HE1 TYR 95 136.419 23.530 5.197 680 HE2 TYR 95 HE2 TYR 95 135.309 27.656 4.738 681 HH TYR 95 HH TYR 95 137.113 26.973 5.830 682 HA PRO 96 HA PRO 96 128.839 27.342 2.934 683 HB2 PRO 96 1HB PRO 96 126.691 25.460 2.038 684 HB3 PRO 96 2HB PRO 96 127.149 27.044 1.381 685 HG2 PRO 96 1HG PRO 96 127.852 24.785 0.170 686 HG3 PRO 96 2HG PRO 96 128.924 26.197 0.203 687 HD2 PRO 96 1HD PRO 96 129.163 23.632 1.681 688 HD3 PRO 96 2HD PRO 96 130.429 24.766 1.172 689 H THR 97 H THR 97 128.607 27.772 5.116 690 HA THR 97 HA THR 97 126.846 26.148 6.766 691 HB THR 97 HB THR 97 128.311 28.703 7.462 692 HG1 THR 97 HG1 THR 97 129.843 27.237 6.957 693 HG21 THR 97 3HG2 THR 97 127.941 28.053 9.746 694 HG22 THR 97 1HG2 THR 97 127.291 26.490 9.257 695 HG23 THR 97 2HG2 THR 97 126.382 27.964 8.928 696 H TYR 98 H TYR 98 124.787 26.589 7.222 697 HA TYR 98 HA TYR 98 123.760 29.298 7.119 698 HB2 TYR 98 1HB TYR 98 122.053 28.884 5.482 699 HB3 TYR 98 2HB TYR 98 123.615 28.531 4.772 700 HD1 TYR 98 HD2 TYR 98 124.252 26.237 4.208 701 HD2 TYR 98 HD1 TYR 98 120.429 27.130 5.951 702 HE1 TYR 98 HE2 TYR 98 123.437 23.980 3.578 703 HE2 TYR 98 HE1 TYR 98 119.614 24.873 5.321 704 HH TYR 98 HH TYR 98 121.756 22.540 3.679 705 H LYS 99 H LYS 99 121.436 29.357 7.821 706 HA LYS 99 HA LYS 99 120.833 27.098 9.646 707 HB2 LYS 99 1HB LYS 99 121.650 29.152 10.816 708 HB3 LYS 99 2HB LYS 99 120.274 30.031 10.151 709 HG2 LYS 99 1HG LYS 99 119.565 29.356 12.310 710 HG3 LYS 99 2HG LYS 99 118.807 28.205 11.211 711 HD2 LYS 99 1HD LYS 99 120.567 26.565 11.654 712 HD3 LYS 99 2HD LYS 99 121.416 27.723 12.679 713 HE2 LYS 99 1HE LYS 99 119.509 27.779 14.225 714 HE3 LYS 99 2HE LYS 99 118.624 26.659 13.191 715 HZ1 LYS 99 3HZ LYS 99 120.217 24.969 13.598 716 HZ2 LYS 99 1HZ LYS 99 119.783 25.609 15.107 717 HZ3 LYS 99 2HZ LYS 99 121.263 26.043 14.396 718 H HIS 100 H HIS 100 119.719 26.541 7.489 719 HA HIS 100 HA HIS 100 116.958 27.613 7.570 720 HB2 HIS 100 1HB HIS 100 118.458 26.647 5.142 721 HB3 HIS 100 2HB HIS 100 116.805 27.226 5.173 722 HD1 HIS 100 HD1 HIS 100 116.609 29.839 6.101 723 HD2 HIS 100 HD2 HIS 100 120.286 28.613 4.563 724 HE1 HIS 100 HE1 HIS 100 117.892 31.950 5.545 725 H ASP 101 H ASP 101 118.779 24.857 8.150 726 HA ASP 101 HA ASP 101 117.211 22.840 6.925 727 HB2 ASP 101 1HB ASP 101 118.945 22.745 9.402 728 HB3 ASP 101 2HB ASP 101 118.279 21.333 8.586 729 H THR 102 H THR 102 115.547 21.574 7.724 730 HA THR 102 HA THR 102 114.321 22.385 10.275 731 HB THR 102 HB THR 102 113.194 23.651 8.487 732 HG1 THR 102 HG1 THR 102 112.037 22.863 10.306 733 HG21 THR 102 3HG2 THR 102 111.809 22.386 6.836 734 HG22 THR 102 1HG2 THR 102 112.583 20.898 7.377 735 HG23 THR 102 2HG2 THR 102 113.541 22.157 6.599 736 H SER 103 H SER 103 112.824 20.811 11.136 737 HA SER 103 HA SER 103 113.064 18.109 9.970 738 HB2 SER 103 1HB SER 103 114.769 18.367 11.761 739 HB3 SER 103 2HB SER 103 113.484 18.771 12.894 740 HG SER 103 HG SER 103 113.448 16.408 11.336 741 H ASP 104 H ASP 104 111.291 16.829 10.204 742 HA ASP 104 HA ASP 104 109.174 17.554 12.068 743 HB2 ASP 104 1HB ASP 104 107.440 17.664 10.355 744 HB3 ASP 104 2HB ASP 104 108.657 18.905 10.066 745 H TYR 105 H TYR 105 107.899 15.833 12.631 746 HA TYR 105 HA TYR 105 108.697 13.209 11.518 747 HB2 TYR 105 1HB TYR 105 107.585 13.845 14.253 748 HB3 TYR 105 2HB TYR 105 108.128 12.277 13.690 749 HD1 TYR 105 HD1 TYR 105 109.248 15.730 14.504 750 HD2 TYR 105 HD2 TYR 105 110.420 11.653 13.830 751 HE1 TYR 105 HE1 TYR 105 111.526 16.248 15.332 752 HE2 TYR 105 HE2 TYR 105 112.699 12.171 14.657 753 HH TYR 105 HH TYR 105 114.111 13.819 15.239 754 H GLY 106 H GLY 106 107.094 11.658 11.099 755 HA2 GLY 106 1HA GLY 106 104.291 12.418 11.576 756 HA3 GLY 106 2HA GLY 106 104.787 11.988 9.938 757 H PHE 107 H PHE 107 102.828 10.523 11.328 758 HA PHE 107 HA PHE 107 104.222 8.065 12.192 759 HB2 PHE 107 1HB PHE 107 101.329 8.898 12.450 760 HB3 PHE 107 2HB PHE 107 101.993 7.377 13.018 761 HD1 PHE 107 HD1 PHE 107 101.792 11.003 13.585 762 HD2 PHE 107 HD2 PHE 107 103.431 7.291 14.997 763 HE1 PHE 107 HE1 PHE 107 102.379 12.082 15.738 764 HE2 PHE 107 HE2 PHE 107 104.019 8.371 17.150 765 HZ PHE 107 HZ PHE 107 103.494 10.767 17.521 766 H SER 108 H SER 108 104.323 6.358 10.854 767 HA SER 108 HA SER 108 102.527 6.351 8.484 768 HB2 SER 108 1HB SER 108 105.261 5.090 8.796 769 HB3 SER 108 2HB SER 108 104.270 5.092 7.339 770 HG SER 108 HG SER 108 105.357 6.879 6.985 771 H TYR 109 H TYR 109 101.498 4.495 7.886 772 HA TYR 109 HA TYR 109 101.748 2.136 9.655 773 HB2 TYR 109 1HB TYR 109 99.736 3.362 10.310 774 HB3 TYR 109 2HB TYR 109 99.195 3.401 8.645 775 HD1 TYR 109 HD1 TYR 109 99.712 1.262 11.613 776 HD2 TYR 109 HD2 TYR 109 98.165 1.472 7.613 777 HE1 TYR 109 HE1 TYR 109 98.533 -0.890 11.958 778 HE2 TYR 109 HE2 TYR 109 96.985 -0.682 7.957 779 HH TYR 109 HH TYR 109 97.018 -2.311 11.112 780 H GLY 110 H GLY 110 101.669 0.154 8.565 781 HA2 GLY 110 1HA GLY 110 101.025 0.212 5.697 782 HA3 GLY 110 2HA GLY 110 102.644 -0.288 6.169 783 H ALA 111 H ALA 111 100.870 -1.899 4.742 784 HA ALA 111 HA ALA 111 100.777 -4.174 6.585 785 HB1 ALA 111 1HB ALA 111 98.441 -3.216 4.922 786 HB2 ALA 111 2HB ALA 111 98.489 -3.480 6.665 787 HB3 ALA 111 3HB ALA 111 98.552 -4.856 5.563 788 H GLY 112 H GLY 112 101.022 -6.203 5.526 789 HA2 GLY 112 1HA GLY 112 101.502 -6.141 2.632 790 HA3 GLY 112 2HA GLY 112 102.878 -6.506 3.661 791 H LEU 113 H LEU 113 102.061 -8.225 1.741 792 HA LEU 113 HA LEU 113 100.784 -10.483 3.172 793 HB2 LEU 113 1HB LEU 113 99.791 -9.671 0.962 794 HB3 LEU 113 2HB LEU 113 101.285 -10.212 0.199 795 HG LEU 113 HG LEU 113 100.762 -12.459 1.501 796 HD11 LEU 113 1HD1 LEU 113 98.129 -12.679 1.277 797 HD12 LEU 113 2HD1 LEU 113 98.178 -10.934 1.514 798 HD13 LEU 113 3HD1 LEU 113 98.847 -12.009 2.740 799 HD21 LEU 113 3HD2 LEU 113 100.730 -11.833 -1.059 800 HD22 LEU 113 1HD2 LEU 113 98.979 -11.920 -0.858 801 HD23 LEU 113 2HD2 LEU 113 99.977 -13.334 -0.517 802 H GLN 114 H GLN 114 101.966 -12.517 3.182 803 HA GLN 114 HA GLN 114 104.740 -12.341 2.182 804 HB2 GLN 114 1HB GLN 114 104.716 -11.587 4.558 805 HB3 GLN 114 2HB GLN 114 104.079 -13.166 5.015 806 HG2 GLN 114 1HG GLN 114 106.052 -14.265 4.057 807 HG3 GLN 114 2HG GLN 114 106.685 -12.705 3.541 808 HE21 GLN 114 1HE2 GLN 114 108.340 -14.141 5.186 809 HE22 GLN 114 2HE2 GLN 114 108.350 -13.493 6.756 810 H PHE 115 H PHE 115 105.474 -14.135 1.303 811 HA PHE 115 HA PHE 115 104.343 -16.723 2.146 812 HB2 PHE 115 1HB PHE 115 103.268 -16.137 0.011 813 HB3 PHE 115 2HB PHE 115 104.842 -15.858 -0.711 814 HD1 PHE 115 HD1 PHE 115 102.629 -18.461 0.764 815 HD2 PHE 115 HD2 PHE 115 106.121 -17.655 -1.603 816 HE1 PHE 115 HE1 PHE 115 102.739 -20.851 0.111 817 HE2 PHE 115 HE2 PHE 115 106.231 -20.044 -2.255 818 HZ PHE 115 HZ PHE 115 104.539 -21.643 -1.398 819 H ASN 116 H ASN 116 106.038 -17.882 2.929 820 HA ASN 116 HA ASN 116 108.716 -17.332 1.785 821 HB2 ASN 116 1HB ASN 116 109.624 -17.356 4.069 822 HB3 ASN 116 2HB ASN 116 108.480 -16.040 3.816 823 HD21 ASN 116 1HD2 ASN 116 106.321 -16.254 4.812 824 HD22 ASN 116 2HD2 ASN 116 106.066 -17.346 6.087 825 HA PRO 117 HA PRO 117 109.430 -21.647 2.872 826 HB2 PRO 117 1HB PRO 117 110.897 -22.290 0.624 827 HB3 PRO 117 2HB PRO 117 109.140 -22.486 0.736 828 HG2 PRO 117 1HG PRO 117 110.622 -20.680 -0.905 829 HG3 PRO 117 2HG PRO 117 108.872 -20.918 -0.828 830 HD2 PRO 117 1HD PRO 117 110.521 -18.818 0.457 831 HD3 PRO 117 2HD PRO 117 108.785 -18.809 0.061 832 H MET 118 H MET 118 111.763 -22.710 2.940 833 HA MET 118 HA MET 118 113.503 -21.030 4.335 834 HB2 MET 118 1HB MET 118 114.108 -23.578 2.818 835 HB3 MET 118 2HB MET 118 115.198 -22.818 3.978 836 HG2 MET 118 1HG MET 118 113.373 -22.980 5.700 837 HG3 MET 118 2HG MET 118 112.429 -23.912 4.539 838 HE1 MET 118 3HE MET 118 114.148 -27.083 3.931 839 HE2 MET 118 1HE MET 118 115.083 -25.794 3.164 840 HE3 MET 118 2HE MET 118 113.327 -25.694 3.225 841 H GLU 119 H GLU 119 115.727 -20.413 3.728 842 HA GLU 119 HA GLU 119 117.311 -19.430 2.417 843 HB2 GLU 119 1HB GLU 119 115.926 -20.892 0.154 844 HB3 GLU 119 2HB GLU 119 117.521 -20.155 0.077 845 HG2 GLU 119 1HG GLU 119 116.725 -22.361 1.987 846 HG3 GLU 119 2HG GLU 119 117.653 -22.586 0.510 847 H ASN 120 H ASN 120 117.298 -18.251 -0.023 848 HA ASN 120 HA ASN 120 116.255 -15.730 0.562 849 HB2 ASN 120 1HB ASN 120 117.274 -16.877 -2.035 850 HB3 ASN 120 2HB ASN 120 116.969 -15.165 -1.746 851 HD21 ASN 120 1HD2 ASN 120 119.601 -16.311 -2.333 852 HD22 ASN 120 2HD2 ASN 120 120.577 -16.023 -0.975 853 H VAL 121 H VAL 121 114.488 -18.343 -0.629 854 HA VAL 121 HA VAL 121 113.128 -16.983 -2.754 855 HB VAL 121 HB VAL 121 112.319 -19.632 -1.553 856 HG11 VAL 121 1HG1 VAL 121 111.843 -18.174 -4.135 857 HG12 VAL 121 2HG1 VAL 121 110.697 -19.056 -3.129 858 HG13 VAL 121 3HG1 VAL 121 111.835 -19.938 -4.137 859 HG21 VAL 121 3HG2 VAL 121 113.825 -20.722 -3.151 860 HG22 VAL 121 1HG2 VAL 121 114.758 -19.662 -2.092 861 HG23 VAL 121 2HG2 VAL 121 114.376 -19.151 -3.736 862 H ALA 122 H ALA 122 112.741 -16.042 0.231 863 HA ALA 122 HA ALA 122 109.798 -16.297 0.317 864 HB1 ALA 122 1HB ALA 122 110.831 -16.952 2.385 865 HB2 ALA 122 2HB ALA 122 110.113 -15.363 2.651 866 HB3 ALA 122 3HB ALA 122 111.851 -15.513 2.396 867 H LEU 123 H LEU 123 108.506 -14.526 0.029 868 HA LEU 123 HA LEU 123 109.871 -11.955 -0.524 869 HB2 LEU 123 1HB LEU 123 107.941 -13.525 -2.201 870 HB3 LEU 123 2HB LEU 123 107.902 -11.771 -2.288 871 HG LEU 123 HG LEU 123 109.324 -12.784 -4.041 872 HD11 LEU 123 1HD1 LEU 123 110.956 -11.150 -3.933 873 HD12 LEU 123 2HD1 LEU 123 111.223 -11.379 -2.205 874 HD13 LEU 123 3HD1 LEU 123 109.787 -10.524 -2.770 875 HD21 LEU 123 3HD2 LEU 123 110.086 -14.647 -2.336 876 HD22 LEU 123 1HD2 LEU 123 111.372 -13.496 -1.974 877 HD23 LEU 123 2HD2 LEU 123 111.177 -14.112 -3.614 878 H ASP 124 H ASP 124 108.773 -10.095 0.023 879 HA ASP 124 HA ASP 124 106.044 -10.366 1.115 880 HB2 ASP 124 1HB ASP 124 107.681 -10.363 2.997 881 HB3 ASP 124 2HB ASP 124 108.258 -8.788 2.449 882 H PHE 125 H PHE 125 104.689 -8.669 0.626 883 HA PHE 125 HA PHE 125 105.895 -6.284 -0.664 884 HB2 PHE 125 1HB PHE 125 103.411 -7.767 -1.540 885 HB3 PHE 125 2HB PHE 125 103.957 -6.238 -2.200 886 HD1 PHE 125 HD1 PHE 125 106.042 -6.134 -3.552 887 HD2 PHE 125 HD2 PHE 125 104.409 -9.856 -2.168 888 HE1 PHE 125 HE1 PHE 125 107.448 -7.359 -5.188 889 HE2 PHE 125 HE2 PHE 125 105.815 -11.082 -3.803 890 HZ PHE 125 HZ PHE 125 107.335 -9.832 -5.314 891 H SER 126 H SER 126 105.123 -4.352 0.102 892 HA SER 126 HA SER 126 102.685 -4.398 1.759 893 HB2 SER 126 1HB SER 126 105.309 -3.281 2.762 894 HB3 SER 126 2HB SER 126 103.775 -3.306 3.620 895 HG SER 126 HG SER 126 105.612 -5.322 3.153 896 H TYR 127 H TYR 127 101.705 -2.376 2.078 897 HA TYR 127 HA TYR 127 102.819 -0.129 0.507 898 HB2 TYR 127 1HB TYR 127 100.574 0.623 0.097 899 HB3 TYR 127 2HB TYR 127 100.699 -1.050 -0.404 900 HD1 TYR 127 HD2 TYR 127 99.521 -2.820 0.816 901 HD2 TYR 127 HD1 TYR 127 99.236 1.294 2.016 902 HE1 TYR 127 HE2 TYR 127 97.571 -3.370 2.246 903 HE2 TYR 127 HE1 TYR 127 97.286 0.743 3.447 904 HH TYR 127 HH TYR 127 95.855 -2.491 3.432 905 H GLU 128 H GLU 128 102.928 1.854 1.515 906 HA GLU 128 HA GLU 128 102.246 1.910 4.397 907 HB2 GLU 128 1HB GLU 128 104.690 1.522 3.943 908 HB3 GLU 128 2HB GLU 128 104.732 3.086 3.135 909 HG2 GLU 128 1HG GLU 128 103.908 4.157 5.225 910 HG3 GLU 128 2HG GLU 128 103.967 2.592 6.024 911 H GLN 129 H GLN 129 101.317 3.755 5.125 912 HA GLN 129 HA GLN 129 100.973 5.969 3.185 913 HB2 GLN 129 1HB GLN 129 98.905 4.626 3.624 914 HB3 GLN 129 2HB GLN 129 99.022 5.086 5.323 915 HG2 GLN 129 1HG GLN 129 97.531 6.664 4.360 916 HG3 GLN 129 2HG GLN 129 99.067 7.516 4.500 917 HE21 GLN 129 1HE2 GLN 129 99.662 8.600 2.625 918 HE22 GLN 129 2HE2 GLN 129 99.188 8.164 1.055 919 H SER 130 H SER 130 101.663 7.887 3.823 920 HA SER 130 HA SER 130 102.159 8.373 6.695 921 HB2 SER 130 1HB SER 130 104.069 8.645 4.980 922 HB3 SER 130 2HB SER 130 103.194 10.069 4.428 923 HG SER 130 HG SER 130 104.715 10.580 6.058 924 H ARG 131 H ARG 131 101.434 10.413 7.562 925 HA ARG 131 HA ARG 131 98.678 10.655 6.630 926 HB2 ARG 131 1HB ARG 131 99.213 10.028 8.996 927 HB3 ARG 131 2HB ARG 131 99.928 11.626 9.214 928 HG2 ARG 131 1HG ARG 131 97.791 12.691 8.674 929 HG3 ARG 131 2HG ARG 131 97.061 11.113 8.366 930 HD2 ARG 131 1HD ARG 131 96.438 11.767 10.600 931 HD3 ARG 131 2HD ARG 131 97.625 10.475 10.736 932 HE ARG 131 HE ARG 131 99.206 12.625 10.869 933 HH11 ARG 131 1HH1 ARG 131 96.171 12.002 12.518 934 HH12 ARG 131 2HH1 ARG 131 96.598 12.976 13.884 935 HH21 ARG 131 1HH2 ARG 131 99.702 13.866 12.655 936 HH22 ARG 131 2HH2 ARG 131 98.574 14.019 13.959 937 H ILE 132 H ILE 132 97.611 12.852 6.654 938 HA ILE 132 HA ILE 132 99.355 13.895 4.590 939 HB ILE 132 HB ILE 132 97.174 13.007 3.993 940 HG12 ILE 132 1HG1 ILE 132 97.031 15.969 3.493 941 HG13 ILE 132 2HG1 ILE 132 98.345 15.015 2.808 942 HG21 ILE 132 1HG2 ILE 132 96.134 14.016 6.210 943 HG22 ILE 132 2HG2 ILE 132 95.147 13.801 4.767 944 HG23 ILE 132 3HG2 ILE 132 95.793 15.392 5.162 945 HD11 ILE 132 3HD1 ILE 132 96.540 15.117 1.184 946 HD12 ILE 132 1HD1 ILE 132 95.376 14.570 2.391 947 HD13 ILE 132 2HD1 ILE 132 96.631 13.472 1.818 948 H ARG 133 H ARG 133 100.653 15.321 5.570 949 HA ARG 133 HA ARG 133 99.609 17.982 6.156 950 HB2 ARG 133 1HB ARG 133 101.924 16.748 6.874 951 HB3 ARG 133 2HB ARG 133 102.461 17.541 5.398 952 HG2 ARG 133 1HG ARG 133 102.891 19.120 7.114 953 HG3 ARG 133 2HG ARG 133 101.390 19.682 6.380 954 HD2 ARG 133 1HD ARG 133 100.108 18.478 8.135 955 HD3 ARG 133 2HD ARG 133 101.627 18.010 8.893 956 HE ARG 133 HE ARG 133 101.828 20.716 8.729 957 HH11 ARG 133 1HH1 ARG 133 99.344 18.614 10.041 958 HH12 ARG 133 2HH1 ARG 133 98.835 19.781 11.217 959 HH21 ARG 133 1HH2 ARG 133 101.130 22.179 10.259 960 HH22 ARG 133 2HH2 ARG 133 99.836 21.775 11.338 961 H SER 134 H SER 134 101.036 19.652 4.493 962 HA SER 134 HA SER 134 99.523 19.642 2.172 963 HB2 SER 134 1HB SER 134 100.766 21.599 3.033 964 HB3 SER 134 2HB SER 134 102.273 20.847 2.522 965 HG SER 134 HG SER 134 100.058 21.530 0.871 966 H VAL 135 H VAL 135 102.364 17.702 2.804 967 HA VAL 135 HA VAL 135 102.044 16.627 0.060 968 HB VAL 135 HB VAL 135 104.286 17.595 0.405 969 HG11 VAL 135 1HG1 VAL 135 104.250 17.142 2.921 970 HG12 VAL 135 2HG1 VAL 135 105.774 16.816 2.096 971 HG13 VAL 135 3HG1 VAL 135 104.703 15.484 2.529 972 HG21 VAL 135 3HG2 VAL 135 105.556 15.662 -0.319 973 HG22 VAL 135 1HG2 VAL 135 103.932 15.536 -0.997 974 HG23 VAL 135 2HG2 VAL 135 104.381 14.564 0.407 975 H ASP 136 H ASP 136 101.420 14.539 -0.086 976 HA ASP 136 HA ASP 136 101.256 12.957 2.417 977 HB2 ASP 136 1HB ASP 136 99.066 13.636 1.402 978 HB3 ASP 136 2HB ASP 136 99.501 12.719 -0.038 979 H VAL 137 H VAL 137 101.940 10.763 2.360 980 HA VAL 137 HA VAL 137 103.645 10.201 -0.019 981 HB VAL 137 HB VAL 137 104.067 9.133 2.769 982 HG11 VAL 137 1HG1 VAL 137 104.991 7.805 0.886 983 HG12 VAL 137 2HG1 VAL 137 106.258 8.506 1.893 984 HG13 VAL 137 3HG1 VAL 137 105.866 9.234 0.336 985 HG21 VAL 137 3HG2 VAL 137 105.872 10.778 2.968 986 HG22 VAL 137 1HG2 VAL 137 104.349 11.618 2.676 987 HG23 VAL 137 2HG2 VAL 137 105.506 11.406 1.362 988 H GLY 138 H GLY 138 103.293 8.430 -1.177 989 HA2 GLY 138 1HA GLY 138 101.899 6.147 0.105 990 HA3 GLY 138 2HA GLY 138 101.626 6.594 -1.582 991 H THR 139 H THR 139 103.251 4.395 0.252 992 HA THR 139 HA THR 139 105.532 4.262 -1.644 993 HB THR 139 HB THR 139 105.626 3.566 1.297 994 HG1 THR 139 HG1 THR 139 105.451 5.784 1.031 995 HG21 THR 139 3HG2 THR 139 107.770 3.815 -0.832 996 HG22 THR 139 1HG2 THR 139 107.197 2.310 -0.115 997 HG23 THR 139 2HG2 THR 139 108.062 3.485 0.875 998 H TRP 140 H TRP 140 105.847 2.360 -2.601 999 HA TRP 140 HA TRP 140 104.504 -0.039 -1.475 1000 HB2 TRP 140 1HB TRP 140 103.634 0.715 -3.694 1001 HB3 TRP 140 2HB TRP 140 105.243 0.499 -4.357 1002 HD1 TRP 140 HD1 TRP 140 105.933 -1.876 -5.082 1003 HE1 TRP 140 HE1 TRP 140 104.751 -4.165 -5.096 1004 HE3 TRP 140 HE3 TRP 140 101.822 -0.762 -2.265 1005 HZ2 TRP 140 HZ2 TRP 140 102.371 -5.369 -4.050 1006 HZ3 TRP 140 HZ3 TRP 140 100.118 -2.495 -1.791 1007 HH2 TRP 140 HH2 TRP 140 100.384 -4.793 -2.677 1008 H ILE 141 H ILE 141 105.826 -1.740 -0.954 1009 HA ILE 141 HA ILE 141 108.667 -1.540 -1.786 1010 HB ILE 141 HB ILE 141 109.298 -2.375 0.429 1011 HG12 ILE 141 1HG1 ILE 141 107.237 -2.024 2.155 1012 HG13 ILE 141 2HG1 ILE 141 106.330 -2.546 0.743 1013 HG21 ILE 141 1HG2 ILE 141 107.822 0.194 0.073 1014 HG22 ILE 141 2HG2 ILE 141 109.511 -0.102 0.479 1015 HG23 ILE 141 3HG2 ILE 141 108.270 -0.265 1.715 1016 HD11 ILE 141 3HD1 ILE 141 108.745 -4.164 1.357 1017 HD12 ILE 141 1HD1 ILE 141 107.128 -4.678 0.870 1018 HD13 ILE 141 2HD1 ILE 141 107.448 -4.246 2.546 1019 H ALA 142 H ALA 142 109.685 -3.392 -2.333 1020 HA ALA 142 HA ALA 142 108.309 -5.963 -1.843 1021 HB1 ALA 142 1HB ALA 142 109.130 -6.724 -4.085 1022 HB2 ALA 142 2HB ALA 142 109.620 -5.063 -4.425 1023 HB3 ALA 142 3HB ALA 142 107.916 -5.449 -4.185 1024 H GLY 143 H GLY 143 109.632 -7.411 -0.871 1025 HA2 GLY 143 1HA GLY 143 112.555 -6.966 -1.032 1026 HA3 GLY 143 2HA GLY 143 111.760 -7.109 0.531 1027 H VAL 144 H VAL 144 113.839 -8.762 -0.569 1028 HA VAL 144 HA VAL 144 112.468 -11.380 -0.515 1029 HB VAL 144 HB VAL 144 113.237 -10.886 -2.806 1030 HG11 VAL 144 1HG1 VAL 144 116.013 -10.727 -1.602 1031 HG12 VAL 144 2HG1 VAL 144 115.072 -9.324 -2.108 1032 HG13 VAL 144 3HG1 VAL 144 115.581 -10.523 -3.300 1033 HG21 VAL 144 3HG2 VAL 144 115.183 -12.872 -1.648 1034 HG22 VAL 144 1HG2 VAL 144 114.315 -12.944 -3.180 1035 HG23 VAL 144 2HG2 VAL 144 113.452 -13.209 -1.666 1036 H GLY 145 H GLY 145 113.443 -12.923 0.809 1037 HA2 GLY 145 1HA GLY 145 116.011 -12.328 2.050 1038 HA3 GLY 145 2HA GLY 145 114.618 -12.217 3.115 1039 H TYR 146 H TYR 146 116.365 -13.892 3.950 1040 HA TYR 146 HA TYR 146 115.141 -16.523 3.485 1041 HB2 TYR 146 1HB TYR 146 117.268 -17.636 3.506 1042 HB3 TYR 146 2HB TYR 146 117.290 -16.422 2.245 1043 HD1 TYR 146 HD1 TYR 146 118.614 -14.333 2.542 1044 HD2 TYR 146 HD2 TYR 146 118.732 -17.536 5.403 1045 HE1 TYR 146 HE1 TYR 146 120.687 -13.385 3.517 1046 HE2 TYR 146 HE2 TYR 146 120.806 -16.588 6.378 1047 HH TYR 146 HH TYR 146 122.765 -14.973 5.314 1048 H ARG 147 H ARG 147 115.682 -18.049 5.291 1049 HA ARG 147 HA ARG 147 115.850 -16.593 7.863 1050 HB2 ARG 147 1HB ARG 147 114.272 -18.311 8.760 1051 HB3 ARG 147 2HB ARG 147 113.560 -17.252 7.547 1052 HG2 ARG 147 1HG ARG 147 114.017 -19.011 5.821 1053 HG3 ARG 147 2HG ARG 147 114.561 -20.080 7.109 1054 HD2 ARG 147 1HD ARG 147 111.804 -18.843 6.890 1055 HD3 ARG 147 2HD ARG 147 112.208 -20.522 6.539 1056 HE ARG 147 HE ARG 147 112.889 -19.597 9.215 1057 HH11 ARG 147 1HH1 ARG 147 110.509 -21.234 7.222 1058 HH12 ARG 147 2HH1 ARG 147 109.765 -22.015 8.576 1059 HH21 ARG 147 1HH2 ARG 147 111.890 -20.630 10.920 1060 HH22 ARG 147 2HH2 ARG 147 110.538 -21.676 10.643 1061 H PHE 148 H PHE 148 116.782 -17.681 9.614 1062 HA PHE 148 HA PHE 148 118.701 -18.610 10.449 1063 HB2 PHE 148 1HB PHE 148 118.547 -20.936 10.771 1064 HB3 PHE 148 2HB PHE 148 116.909 -20.323 10.740 1065 HD1 PHE 148 HD1 PHE 148 115.390 -20.898 8.901 1066 HD2 PHE 148 HD2 PHE 148 119.423 -22.367 9.016 1067 HE1 PHE 148 HE1 PHE 148 114.832 -22.567 7.154 1068 HE2 PHE 148 HE2 PHE 148 118.867 -24.037 7.269 1069 HZ PHE 148 HZ PHE 148 116.570 -24.137 6.339 Start of MODEL 2 1 H1 ALA 1 3H ALA 1 118.552 -19.557 17.661 2 H2 ALA 1 2H ALA 1 117.818 -20.952 17.025 3 H3 ALA 1 HT3 ALA 1 117.561 -20.518 18.648 4 HA ALA 1 HA ALA 1 115.616 -19.838 17.623 5 HB1 ALA 1 2HB ALA 1 116.006 -17.264 17.343 6 HB2 ALA 1 3HB ALA 1 117.637 -17.628 17.904 7 HB3 ALA 1 1HB ALA 1 116.250 -17.998 18.927 8 H THR 2 H THR 2 114.586 -18.584 15.826 9 HA THR 2 HA THR 2 116.103 -18.870 13.294 10 HB THR 2 HB THR 2 113.141 -19.336 13.692 11 HG1 THR 2 HG1 THR 2 113.657 -21.486 13.535 12 HG21 THR 2 3HG2 THR 2 115.026 -19.497 11.346 13 HG22 THR 2 1HG2 THR 2 113.481 -18.655 11.456 14 HG23 THR 2 2HG2 THR 2 113.522 -20.416 11.374 15 H SER 3 H SER 3 115.804 -17.311 11.738 16 HA SER 3 HA SER 3 114.023 -15.064 12.185 17 HB2 SER 3 1HB SER 3 115.768 -13.386 12.344 18 HB3 SER 3 2HB SER 3 116.006 -14.564 13.632 19 HG SER 3 HG SER 3 117.963 -14.212 12.599 20 H THR 4 H THR 4 114.362 -13.402 10.367 21 HA THR 4 HA THR 4 115.555 -14.642 7.969 22 HB THR 4 HB THR 4 113.108 -15.091 7.985 23 HG1 THR 4 HG1 THR 4 114.016 -13.270 6.020 24 HG21 THR 4 3HG2 THR 4 112.054 -12.629 7.161 25 HG22 THR 4 1HG2 THR 4 112.962 -12.257 8.626 26 HG23 THR 4 2HG2 THR 4 111.697 -13.483 8.658 27 H VAL 5 H VAL 5 116.204 -13.210 6.356 28 HA VAL 5 HA VAL 5 116.350 -10.359 7.176 29 HB VAL 5 HB VAL 5 118.482 -11.936 5.710 30 HG11 VAL 5 1HG1 VAL 5 118.238 -9.072 6.641 31 HG12 VAL 5 2HG1 VAL 5 118.628 -9.667 5.026 32 HG13 VAL 5 3HG1 VAL 5 119.806 -9.816 6.328 33 HG21 VAL 5 3HG2 VAL 5 119.788 -11.675 7.792 34 HG22 VAL 5 1HG2 VAL 5 118.312 -12.594 8.088 35 HG23 VAL 5 2HG2 VAL 5 118.404 -10.898 8.562 36 H THR 6 H THR 6 115.446 -9.014 5.746 37 HA THR 6 HA THR 6 115.203 -9.901 2.929 38 HB THR 6 HB THR 6 113.080 -8.403 4.480 39 HG1 THR 6 HG1 THR 6 113.070 -10.453 5.249 40 HG21 THR 6 3HG2 THR 6 111.736 -8.693 2.532 41 HG22 THR 6 1HG2 THR 6 112.888 -9.822 1.818 42 HG23 THR 6 2HG2 THR 6 113.295 -8.111 1.951 43 H GLY 7 H GLY 7 115.665 -8.412 1.419 44 HA2 GLY 7 1HA GLY 7 115.948 -5.579 2.275 45 HA3 GLY 7 2HA GLY 7 117.032 -6.333 1.100 46 H GLY 8 H GLY 8 114.958 -4.073 0.915 47 HA2 GLY 8 1HA GLY 8 113.670 -5.077 -1.530 48 HA3 GLY 8 2HA GLY 8 112.626 -4.485 -0.244 49 H TYR 9 H TYR 9 112.445 -3.349 -2.643 50 HA TYR 9 HA TYR 9 113.792 -0.724 -2.352 51 HB2 TYR 9 1HB TYR 9 114.443 -1.999 -4.397 52 HB3 TYR 9 2HB TYR 9 112.760 -2.014 -4.884 53 HD1 TYR 9 HD1 TYR 9 115.701 0.158 -4.258 54 HD2 TYR 9 HD2 TYR 9 111.752 -0.108 -5.923 55 HE1 TYR 9 HE1 TYR 9 116.020 2.355 -5.364 56 HE2 TYR 9 HE2 TYR 9 112.071 2.088 -7.030 57 HH TYR 9 HH TYR 9 115.021 3.526 -7.442 58 H ALA 10 H ALA 10 112.483 0.995 -2.148 59 HA ALA 10 HA ALA 10 109.567 0.551 -2.390 60 HB1 ALA 10 1HB ALA 10 109.220 1.819 -0.489 61 HB2 ALA 10 2HB ALA 10 110.728 2.713 -0.681 62 HB3 ALA 10 3HB ALA 10 110.757 1.053 -0.087 63 H GLN 11 H GLN 11 108.394 1.943 -3.590 64 HA GLN 11 HA GLN 11 109.765 4.346 -4.675 65 HB2 GLN 11 1HB GLN 11 107.637 2.605 -5.954 66 HB3 GLN 11 2HB GLN 11 108.239 4.120 -6.629 67 HG2 GLN 11 1HG GLN 11 110.498 3.204 -6.760 68 HG3 GLN 11 2HG GLN 11 109.964 1.709 -5.998 69 HE21 GLN 11 1HE2 GLN 11 111.168 1.713 -8.596 70 HE22 GLN 11 2HE2 GLN 11 109.989 1.251 -9.728 71 H SER 12 H SER 12 108.797 6.262 -4.263 72 HA SER 12 HA SER 12 106.131 6.196 -2.964 73 HB2 SER 12 1HB SER 12 108.014 6.981 -1.528 74 HB3 SER 12 2HB SER 12 108.324 8.265 -2.692 75 HG SER 12 HG SER 12 106.908 8.771 -0.842 76 H ASP 13 H ASP 13 104.551 7.566 -3.687 77 HA ASP 13 HA ASP 13 104.831 8.313 -6.458 78 HB2 ASP 13 1HB ASP 13 102.436 8.845 -6.320 79 HB3 ASP 13 2HB ASP 13 102.777 7.250 -5.651 80 H ALA 14 H ALA 14 104.729 10.307 -7.362 81 HA ALA 14 HA ALA 14 105.397 12.536 -5.558 82 HB1 ALA 14 1HB ALA 14 106.939 11.741 -7.483 83 HB2 ALA 14 2HB ALA 14 106.641 13.471 -7.306 84 HB3 ALA 14 3HB ALA 14 105.780 12.548 -8.539 85 H GLN 15 H GLN 15 104.315 14.435 -5.595 86 HA GLN 15 HA GLN 15 101.756 14.544 -7.007 87 HB2 GLN 15 1HB GLN 15 102.062 15.226 -4.575 88 HB3 GLN 15 2HB GLN 15 102.984 16.608 -5.162 89 HG2 GLN 15 1HG GLN 15 100.724 17.353 -4.839 90 HG3 GLN 15 2HG GLN 15 100.975 17.226 -6.578 91 HE21 GLN 15 1HE2 GLN 15 98.923 16.583 -7.333 92 HE22 GLN 15 2HE2 GLN 15 98.087 15.222 -6.761 93 H GLY 16 H GLY 16 101.244 16.395 -8.401 94 HA2 GLY 16 1HA GLY 16 103.046 16.719 -10.465 95 HA3 GLY 16 2HA GLY 16 101.710 17.820 -10.153 96 H GLN 17 H GLN 17 104.317 18.475 -11.204 97 HA GLN 17 HA GLN 17 105.940 20.072 -11.017 98 HB2 GLN 17 1HB GLN 17 104.023 21.365 -9.934 99 HB3 GLN 17 2HB GLN 17 104.740 20.923 -8.387 100 HG2 GLN 17 1HG GLN 17 106.827 22.033 -8.986 101 HG3 GLN 17 2HG GLN 17 106.214 22.376 -10.600 102 HE21 GLN 17 1HE2 GLN 17 107.048 24.558 -9.160 103 HE22 GLN 17 2HE2 GLN 17 105.722 25.453 -8.593 104 H MET 18 H MET 18 105.703 17.458 -8.986 105 HA MET 18 HA MET 18 108.396 17.968 -7.882 106 HB2 MET 18 1HB MET 18 106.147 16.495 -6.483 107 HB3 MET 18 2HB MET 18 107.775 16.738 -5.858 108 HG2 MET 18 1HG MET 18 105.762 18.923 -6.478 109 HG3 MET 18 2HG MET 18 106.226 18.370 -4.871 110 HE1 MET 18 3HE MET 18 109.465 17.913 -5.291 111 HE2 MET 18 1HE MET 18 108.464 18.408 -3.922 112 HE3 MET 18 2HE MET 18 109.832 19.400 -4.421 113 H ASN 19 H ASN 19 109.379 15.784 -7.143 114 HA ASN 19 HA ASN 19 108.916 13.834 -9.326 115 HB2 ASN 19 1HB ASN 19 111.290 13.257 -9.098 116 HB3 ASN 19 2HB ASN 19 111.084 14.970 -9.461 117 HD21 ASN 19 1HD2 ASN 19 111.497 16.521 -7.717 118 HD22 ASN 19 2HD2 ASN 19 112.354 16.062 -6.325 119 H LYS 20 H LYS 20 109.732 11.597 -8.755 120 HA LYS 20 HA LYS 20 108.382 10.736 -6.337 121 HB2 LYS 20 1HB LYS 20 109.807 9.192 -8.517 122 HB3 LYS 20 2HB LYS 20 108.922 8.456 -7.181 123 HG2 LYS 20 1HG LYS 20 106.877 9.684 -7.903 124 HG3 LYS 20 2HG LYS 20 107.772 10.304 -9.292 125 HD2 LYS 20 1HD LYS 20 108.225 7.950 -9.996 126 HD3 LYS 20 2HD LYS 20 107.202 7.392 -8.671 127 HE2 LYS 20 1HE LYS 20 105.338 8.801 -9.632 128 HE3 LYS 20 2HE LYS 20 106.366 9.087 -11.036 129 HZ1 LYS 20 3HZ LYS 20 106.458 6.734 -11.445 130 HZ2 LYS 20 1HZ LYS 20 104.834 7.216 -11.349 131 HZ3 LYS 20 2HZ LYS 20 105.559 6.409 -10.040 132 H MET 21 H MET 21 109.510 8.921 -5.050 133 HA MET 21 HA MET 21 112.341 9.674 -4.543 134 HB2 MET 21 1HB MET 21 110.223 9.118 -2.448 135 HB3 MET 21 2HB MET 21 111.917 9.474 -2.134 136 HG2 MET 21 1HG MET 21 109.935 11.334 -3.481 137 HG3 MET 21 2HG MET 21 110.531 11.486 -1.831 138 HE1 MET 21 3HE MET 21 112.781 11.451 -1.201 139 HE2 MET 21 1HE MET 21 114.009 12.502 -1.915 140 HE3 MET 21 2HE MET 21 113.927 10.802 -2.369 141 H GLY 22 H GLY 22 113.638 7.997 -3.547 142 HA2 GLY 22 1HA GLY 22 112.502 5.272 -3.910 143 HA3 GLY 22 2HA GLY 22 114.140 5.695 -4.403 144 H GLY 23 H GLY 23 113.041 3.758 -2.338 145 HA2 GLY 23 1HA GLY 23 114.724 4.687 -0.096 146 HA3 GLY 23 2HA GLY 23 113.095 4.102 0.213 147 H PHE 24 H PHE 24 115.868 3.126 0.959 148 HA PHE 24 HA PHE 24 115.629 0.356 -0.070 149 HB2 PHE 24 1HB PHE 24 117.932 1.734 1.327 150 HB3 PHE 24 2HB PHE 24 117.920 0.057 0.813 151 HD1 PHE 24 HD2 PHE 24 118.104 -0.536 -1.556 152 HD2 PHE 24 HD1 PHE 24 118.128 3.564 -0.270 153 HE1 PHE 24 HE2 PHE 24 118.946 0.159 -3.782 154 HE2 PHE 24 HE1 PHE 24 118.970 4.257 -2.498 155 HZ PHE 24 HZ PHE 24 119.380 2.555 -4.252 156 H ASN 25 H ASN 25 115.040 -1.248 1.319 157 HA ASN 25 HA ASN 25 114.640 -0.482 4.161 158 HB2 ASN 25 1HB ASN 25 112.945 -2.288 2.426 159 HB3 ASN 25 2HB ASN 25 112.677 -1.968 4.137 160 HD21 ASN 25 1HD2 ASN 25 110.682 -1.326 2.209 161 HD22 ASN 25 2HD2 ASN 25 110.541 0.364 2.117 162 H LEU 26 H LEU 26 115.465 -1.775 5.676 163 HA LEU 26 HA LEU 26 116.345 -4.504 4.903 164 HB2 LEU 26 1HB LEU 26 118.142 -2.821 5.542 165 HB3 LEU 26 2HB LEU 26 117.451 -2.834 7.160 166 HG LEU 26 HG LEU 26 118.085 -5.479 5.905 167 HD11 LEU 26 1HD1 LEU 26 120.050 -3.765 5.613 168 HD12 LEU 26 2HD1 LEU 26 120.390 -5.369 6.263 169 HD13 LEU 26 3HD1 LEU 26 120.259 -3.988 7.350 170 HD21 LEU 26 3HD2 LEU 26 117.919 -4.265 8.646 171 HD22 LEU 26 1HD2 LEU 26 118.910 -5.705 8.419 172 HD23 LEU 26 2HD2 LEU 26 117.192 -5.751 8.041 173 H LYS 27 H LYS 27 115.631 -6.206 6.176 174 HA LYS 27 HA LYS 27 113.632 -5.481 8.249 175 HB2 LYS 27 1HB LYS 27 113.586 -7.914 6.454 176 HB3 LYS 27 2HB LYS 27 112.329 -7.392 7.568 177 HG2 LYS 27 1HG LYS 27 113.248 -5.851 5.121 178 HG3 LYS 27 2HG LYS 27 111.772 -6.809 5.226 179 HD2 LYS 27 1HD LYS 27 111.059 -5.361 7.158 180 HD3 LYS 27 2HD LYS 27 112.462 -4.343 6.831 181 HE2 LYS 27 1HE LYS 27 110.763 -3.265 5.624 182 HE3 LYS 27 2HE LYS 27 111.541 -4.262 4.395 183 HZ1 LYS 27 3HZ LYS 27 109.104 -4.987 5.930 184 HZ2 LYS 27 1HZ LYS 27 109.856 -5.959 4.760 185 HZ3 LYS 27 2HZ LYS 27 109.143 -4.484 4.309 186 H TYR 28 H TYR 28 113.662 -6.582 10.169 187 HA TYR 28 HA TYR 28 115.303 -9.032 10.354 188 HB2 TYR 28 1HB TYR 28 116.487 -7.119 11.413 189 HB3 TYR 28 2HB TYR 28 115.101 -6.868 12.458 190 HD1 TYR 28 HD1 TYR 28 114.615 -8.414 14.292 191 HD2 TYR 28 HD2 TYR 28 118.000 -9.003 11.715 192 HE1 TYR 28 HE1 TYR 28 115.559 -10.042 15.905 193 HE2 TYR 28 HE2 TYR 28 118.944 -10.633 13.329 194 HH TYR 28 HH TYR 28 118.140 -10.861 16.390 195 H ARG 29 H ARG 29 114.205 -10.724 11.275 196 HA ARG 29 HA ARG 29 111.673 -10.131 12.682 197 HB2 ARG 29 1HB ARG 29 111.267 -10.545 10.232 198 HB3 ARG 29 2HB ARG 29 111.941 -12.158 10.460 199 HG2 ARG 29 1HG ARG 29 110.215 -12.579 12.220 200 HG3 ARG 29 2HG ARG 29 109.489 -11.020 11.826 201 HD2 ARG 29 1HD ARG 29 109.872 -13.329 9.901 202 HD3 ARG 29 2HD ARG 29 108.343 -12.831 10.618 203 HE ARG 29 HE ARG 29 109.087 -10.563 9.426 204 HH11 ARG 29 1HH1 ARG 29 109.153 -13.840 8.166 205 HH12 ARG 29 2HH1 ARG 29 108.938 -13.320 6.528 206 HH21 ARG 29 1HH2 ARG 29 108.810 -9.957 7.299 207 HH22 ARG 29 2HH2 ARG 29 108.745 -11.149 6.046 208 H TYR 30 H TYR 30 111.113 -11.624 14.272 209 HA TYR 30 HA TYR 30 112.969 -13.912 14.631 210 HB2 TYR 30 1HB TYR 30 112.730 -12.127 16.460 211 HB3 TYR 30 2HB TYR 30 111.119 -12.774 16.714 212 HD1 TYR 30 HD1 TYR 30 114.729 -13.416 17.016 213 HD2 TYR 30 HD2 TYR 30 110.788 -14.982 17.700 214 HE1 TYR 30 HE1 TYR 30 115.685 -15.184 18.469 215 HE2 TYR 30 HE2 TYR 30 111.743 -16.747 19.158 216 HH TYR 30 HH TYR 30 114.901 -16.642 20.342 217 H GLU 31 H GLU 31 112.090 -15.985 14.894 218 HA GLU 31 HA GLU 31 109.399 -16.227 13.768 219 HB2 GLU 31 1HB GLU 31 111.334 -17.539 12.850 220 HB3 GLU 31 2HB GLU 31 111.386 -18.421 14.378 221 HG2 GLU 31 1HG GLU 31 109.012 -19.083 14.045 222 HG3 GLU 31 2HG GLU 31 109.024 -18.274 12.486 223 H GLU 32 H GLU 32 107.680 -16.826 14.850 224 HA GLU 32 HA GLU 32 107.950 -17.948 17.558 225 HB2 GLU 32 1HB GLU 32 106.259 -15.581 16.741 226 HB3 GLU 32 2HB GLU 32 106.072 -16.446 18.267 227 HG2 GLU 32 1HG GLU 32 108.635 -15.136 17.322 228 HG3 GLU 32 2HG GLU 32 107.527 -14.442 18.498 229 H ASP 33 H ASP 33 106.135 -19.093 18.317 230 HA ASP 33 HA ASP 33 104.874 -20.663 16.277 231 HB2 ASP 33 1HB ASP 33 104.510 -20.628 19.281 232 HB3 ASP 33 2HB ASP 33 103.824 -21.837 18.197 233 H ASN 34 H ASN 34 102.409 -21.210 16.883 234 HA ASN 34 HA ASN 34 100.889 -19.114 15.868 235 HB2 ASN 34 1HB ASN 34 99.983 -21.467 17.535 236 HB3 ASN 34 2HB ASN 34 98.928 -20.442 16.564 237 HD21 ASN 34 1HD2 ASN 34 100.464 -20.117 14.226 238 HD22 ASN 34 2HD2 ASN 34 100.686 -21.630 13.487 239 H SER 35 H SER 35 101.701 -19.805 19.250 240 HA SER 35 HA SER 35 99.495 -18.099 20.149 241 HB2 SER 35 1HB SER 35 100.092 -20.365 21.172 242 HB3 SER 35 2HB SER 35 101.446 -19.534 21.927 243 HG SER 35 HG SER 35 98.789 -18.565 22.069 244 HA PRO 36 HA PRO 36 102.822 -15.141 21.202 245 HB2 PRO 36 1HB PRO 36 105.507 -15.800 20.644 246 HB3 PRO 36 2HB PRO 36 104.709 -15.894 22.221 247 HG2 PRO 36 1HG PRO 36 105.680 -18.035 20.700 248 HG3 PRO 36 2HG PRO 36 104.667 -18.125 22.149 249 HD2 PRO 36 1HD PRO 36 103.867 -18.327 19.288 250 HD3 PRO 36 2HD PRO 36 103.157 -19.125 20.709 251 H LEU 37 H LEU 37 103.188 -13.375 19.931 252 HA LEU 37 HA LEU 37 103.005 -13.721 17.075 253 HB2 LEU 37 1HB LEU 37 103.322 -11.187 18.700 254 HB3 LEU 37 2HB LEU 37 102.854 -11.283 17.003 255 HG LEU 37 HG LEU 37 101.299 -12.521 19.297 256 HD11 LEU 37 1HD1 LEU 37 100.837 -9.999 17.676 257 HD12 LEU 37 2HD1 LEU 37 101.169 -10.092 19.405 258 HD13 LEU 37 3HD1 LEU 37 99.648 -10.714 18.765 259 HD21 LEU 37 3HD2 LEU 37 100.781 -13.780 17.373 260 HD22 LEU 37 1HD2 LEU 37 100.925 -12.383 16.308 261 HD23 LEU 37 2HD2 LEU 37 99.532 -12.535 17.377 262 H GLY 38 H GLY 38 104.443 -12.845 15.517 263 HA2 GLY 38 1HA GLY 38 107.255 -13.158 16.272 264 HA3 GLY 38 2HA GLY 38 106.616 -13.056 14.632 265 H VAL 39 H VAL 39 108.821 -11.482 16.065 266 HA VAL 39 HA VAL 39 107.587 -8.786 16.029 267 HB VAL 39 HB VAL 39 109.615 -8.071 17.290 268 HG11 VAL 39 1HG1 VAL 39 108.147 -10.360 18.622 269 HG12 VAL 39 2HG1 VAL 39 107.434 -8.767 18.358 270 HG13 VAL 39 3HG1 VAL 39 108.845 -8.938 19.401 271 HG21 VAL 39 3HG2 VAL 39 111.000 -9.830 18.348 272 HG22 VAL 39 1HG2 VAL 39 111.151 -9.873 16.592 273 HG23 VAL 39 2HG2 VAL 39 110.143 -11.058 17.422 274 H ILE 40 H ILE 40 108.070 -7.442 14.414 275 HA ILE 40 HA ILE 40 110.511 -7.990 12.823 276 HB ILE 40 HB ILE 40 108.433 -8.743 11.703 277 HG12 ILE 40 1HG1 ILE 40 110.493 -7.904 10.498 278 HG13 ILE 40 2HG1 ILE 40 109.006 -7.928 9.574 279 HG21 ILE 40 1HG2 ILE 40 107.667 -5.840 11.931 280 HG22 ILE 40 2HG2 ILE 40 106.784 -7.252 12.512 281 HG23 ILE 40 3HG2 ILE 40 106.920 -6.949 10.781 282 HD11 ILE 40 3HD1 ILE 40 109.319 -5.768 9.063 283 HD12 ILE 40 1HD1 ILE 40 110.785 -5.744 10.030 284 HD13 ILE 40 2HD1 ILE 40 109.246 -5.312 10.757 285 H GLY 41 H GLY 41 111.718 -6.272 12.275 286 HA2 GLY 41 1HA GLY 41 110.666 -3.564 12.762 287 HA3 GLY 41 2HA GLY 41 112.187 -4.044 13.522 288 H SER 42 H SER 42 111.547 -2.019 11.369 289 HA SER 42 HA SER 42 113.602 -2.920 9.463 290 HB2 SER 42 1HB SER 42 112.291 -2.376 7.544 291 HB3 SER 42 2HB SER 42 111.286 -3.412 8.552 292 HG SER 42 HG SER 42 111.068 -0.709 7.946 293 H PHE 43 H PHE 43 114.654 -1.223 8.359 294 HA PHE 43 HA PHE 43 113.908 1.521 9.186 295 HB2 PHE 43 1HB PHE 43 116.269 2.140 9.349 296 HB3 PHE 43 2HB PHE 43 115.805 0.958 10.552 297 HD1 PHE 43 HD1 PHE 43 117.775 1.579 7.503 298 HD2 PHE 43 HD2 PHE 43 116.732 -1.291 10.525 299 HE1 PHE 43 HE1 PHE 43 119.696 0.164 6.824 300 HE2 PHE 43 HE2 PHE 43 118.651 -2.706 9.842 301 HZ PHE 43 HZ PHE 43 120.135 -1.977 7.992 302 H THR 44 H THR 44 114.124 3.071 7.676 303 HA THR 44 HA THR 44 114.823 2.177 4.944 304 HB THR 44 HB THR 44 112.498 3.942 5.752 305 HG1 THR 44 HG1 THR 44 111.816 1.980 6.226 306 HG21 THR 44 3HG2 THR 44 113.568 2.965 3.108 307 HG22 THR 44 1HG2 THR 44 113.120 4.606 3.577 308 HG23 THR 44 2HG2 THR 44 111.868 3.396 3.298 309 H TYR 45 H TYR 45 116.040 3.508 3.778 310 HA TYR 45 HA TYR 45 116.432 6.299 4.720 311 HB2 TYR 45 1HB TYR 45 118.343 4.519 3.193 312 HB3 TYR 45 2HB TYR 45 118.625 6.206 3.574 313 HD1 TYR 45 HD1 TYR 45 118.931 6.901 5.968 314 HD2 TYR 45 HD2 TYR 45 118.729 2.781 4.774 315 HE1 TYR 45 HE1 TYR 45 119.960 6.227 8.122 316 HE2 TYR 45 HE2 TYR 45 119.753 2.107 6.930 317 HH TYR 45 HH TYR 45 120.315 4.438 9.507 318 H THR 46 H THR 46 115.968 7.898 3.248 319 HA THR 46 HA THR 46 114.973 6.987 0.614 320 HB THR 46 HB THR 46 114.300 9.536 2.097 321 HG1 THR 46 HG1 THR 46 113.490 7.788 3.220 322 HG21 THR 46 3HG2 THR 46 112.450 9.637 0.465 323 HG22 THR 46 1HG2 THR 46 113.049 8.164 -0.301 324 HG23 THR 46 2HG2 THR 46 114.015 9.638 -0.349 325 H GLU 47 H GLU 47 115.565 8.060 -1.259 326 HA GLU 47 HA GLU 47 117.574 10.189 -1.047 327 HB2 GLU 47 1HB GLU 47 117.998 7.610 -2.576 328 HB3 GLU 47 2HB GLU 47 119.060 9.019 -2.637 329 HG2 GLU 47 1HG GLU 47 118.392 7.443 -0.134 330 HG3 GLU 47 2HG GLU 47 119.891 7.309 -1.045 331 H LYS 48 H LYS 48 117.916 11.329 -3.022 332 HA LYS 48 HA LYS 48 115.921 10.860 -5.147 333 HB2 LYS 48 1HB LYS 48 115.168 12.717 -3.659 334 HB3 LYS 48 2HB LYS 48 116.669 13.570 -4.020 335 HG2 LYS 48 1HG LYS 48 116.105 13.642 -6.392 336 HG3 LYS 48 2HG LYS 48 114.652 12.685 -6.106 337 HD2 LYS 48 1HD LYS 48 113.985 14.998 -6.250 338 HD3 LYS 48 2HD LYS 48 113.850 14.510 -4.562 339 HE2 LYS 48 1HE LYS 48 114.940 16.732 -4.821 340 HE3 LYS 48 2HE LYS 48 116.000 15.554 -4.050 341 HZ1 LYS 48 3HZ LYS 48 116.848 17.010 -6.017 342 HZ2 LYS 48 1HZ LYS 48 116.074 15.841 -6.970 343 HZ3 LYS 48 2HZ LYS 48 117.309 15.380 -5.899 344 H SER 49 H SER 49 116.711 11.078 -7.183 345 HA SER 49 HA SER 49 118.212 11.255 -8.886 346 HB2 SER 49 1HB SER 49 119.447 13.396 -7.141 347 HB3 SER 49 2HB SER 49 119.779 13.141 -8.849 348 HG SER 49 HG SER 49 118.128 14.432 -9.091 349 H ARG 50 H ARG 50 120.635 12.049 -6.393 350 HA ARG 50 HA ARG 50 122.427 10.882 -5.583 351 HB2 ARG 50 1HB ARG 50 120.640 9.181 -5.028 352 HB3 ARG 50 2HB ARG 50 121.034 8.377 -6.546 353 HG2 ARG 50 1HG ARG 50 123.393 8.146 -5.793 354 HG3 ARG 50 2HG ARG 50 122.954 8.894 -4.259 355 HD2 ARG 50 1HD ARG 50 121.284 7.078 -3.893 356 HD3 ARG 50 2HD ARG 50 121.844 6.306 -5.375 357 HE ARG 50 HE ARG 50 123.630 5.490 -4.176 358 HH11 ARG 50 1HH1 ARG 50 122.426 8.314 -2.472 359 HH12 ARG 50 2HH1 ARG 50 123.528 8.109 -1.151 360 HH21 ARG 50 1HH2 ARG 50 125.025 5.278 -2.449 361 HH22 ARG 50 2HH2 ARG 50 124.980 6.412 -1.139 362 H THR 51 H THR 51 122.907 12.092 -7.839 363 HA THR 51 HA THR 51 124.509 10.151 -9.404 364 HB THR 51 HB THR 51 123.180 12.649 -10.482 365 HG1 THR 51 HG1 THR 51 121.552 11.422 -10.941 366 HG21 THR 51 3HG2 THR 51 125.122 12.207 -11.763 367 HG22 THR 51 1HG2 THR 51 123.813 11.448 -12.669 368 HG23 THR 51 2HG2 THR 51 124.884 10.462 -11.673 369 H ALA 52 H ALA 52 126.607 10.729 -9.801 370 HA ALA 52 HA ALA 52 127.791 12.712 -8.138 371 HB1 ALA 52 1HB ALA 52 128.975 10.662 -8.868 372 HB2 ALA 52 2HB ALA 52 129.879 12.123 -9.264 373 HB3 ALA 52 3HB ALA 52 128.982 11.271 -10.522 374 H SER 53 H SER 53 126.956 14.736 -8.591 375 HA SER 53 HA SER 53 127.895 15.941 -11.097 376 HB2 SER 53 1HB SER 53 125.531 15.264 -11.464 377 HB3 SER 53 2HB SER 53 125.062 16.246 -10.081 378 HG SER 53 HG SER 53 125.260 17.969 -11.280 379 H SER 54 H SER 54 128.343 18.122 -10.967 380 HA SER 54 HA SER 54 129.103 19.200 -8.495 381 HB2 SER 54 1HB SER 54 129.988 19.923 -10.703 382 HB3 SER 54 2HB SER 54 128.450 20.717 -11.027 383 HG SER 54 HG SER 54 128.825 22.096 -9.334 384 H GLY 55 H GLY 55 126.002 19.282 -10.114 385 HA2 GLY 55 1HA GLY 55 124.994 21.627 -8.843 386 HA3 GLY 55 2HA GLY 55 124.043 20.414 -9.687 387 H ASP 56 H ASP 56 125.151 18.261 -7.858 388 HA ASP 56 HA ASP 56 124.510 17.209 -5.923 389 HB2 ASP 56 1HB ASP 56 124.461 20.054 -4.881 390 HB3 ASP 56 2HB ASP 56 124.408 18.606 -3.881 391 H TYR 57 H TYR 57 122.537 17.090 -7.544 392 HA TYR 57 HA TYR 57 120.192 18.528 -7.164 393 HB2 TYR 57 1HB TYR 57 120.493 15.612 -7.881 394 HB3 TYR 57 2HB TYR 57 119.038 16.564 -8.101 395 HD1 TYR 57 HD1 TYR 57 119.055 18.492 -9.729 396 HD2 TYR 57 HD2 TYR 57 122.287 15.675 -9.438 397 HE1 TYR 57 HE1 TYR 57 119.877 19.203 -11.959 398 HE2 TYR 57 HE2 TYR 57 123.108 16.387 -11.667 399 HH TYR 57 HH TYR 57 122.285 17.453 -13.674 400 H ASN 58 H ASN 58 121.459 15.820 -5.278 401 HA ASN 58 HA ASN 58 119.130 15.229 -3.811 402 HB2 ASN 58 1HB ASN 58 120.630 14.187 -2.192 403 HB3 ASN 58 2HB ASN 58 121.139 13.794 -3.830 404 HD21 ASN 58 1HD2 ASN 58 122.960 13.683 -1.612 405 HD22 ASN 58 2HD2 ASN 58 124.128 14.895 -1.827 406 H LYS 59 H LYS 59 118.222 16.096 -1.996 407 HA LYS 59 HA LYS 59 119.569 18.378 -0.711 408 HB2 LYS 59 1HB LYS 59 116.750 18.388 -1.804 409 HB3 LYS 59 2HB LYS 59 117.407 19.626 -0.733 410 HG2 LYS 59 1HG LYS 59 119.220 20.049 -2.394 411 HG3 LYS 59 2HG LYS 59 118.453 18.892 -3.481 412 HD2 LYS 59 1HD LYS 59 116.368 20.265 -3.409 413 HD3 LYS 59 2HD LYS 59 117.228 21.459 -2.436 414 HE2 LYS 59 1HE LYS 59 118.927 21.637 -4.285 415 HE3 LYS 59 2HE LYS 59 117.888 20.603 -5.266 416 HZ1 LYS 59 3HZ LYS 59 117.700 23.233 -5.277 417 HZ2 LYS 59 1HZ LYS 59 116.634 22.906 -3.998 418 HZ3 LYS 59 2HZ LYS 59 116.357 22.221 -5.529 419 H ASN 60 H ASN 60 116.390 16.753 -0.526 420 HA ASN 60 HA ASN 60 116.653 16.767 2.401 421 HB2 ASN 60 1HB ASN 60 114.256 16.288 0.619 422 HB3 ASN 60 2HB ASN 60 114.221 16.289 2.381 423 HD21 ASN 60 1HD2 ASN 60 115.770 18.474 3.066 424 HD22 ASN 60 2HD2 ASN 60 115.114 19.895 2.408 425 H GLN 61 H GLN 61 116.557 14.954 3.640 426 HA GLN 61 HA GLN 61 116.402 12.340 2.246 427 HB2 GLN 61 1HB GLN 61 118.261 13.142 4.501 428 HB3 GLN 61 2HB GLN 61 118.072 11.499 3.886 429 HG2 GLN 61 1HG GLN 61 118.819 12.207 1.669 430 HG3 GLN 61 2HG GLN 61 118.931 13.879 2.216 431 HE21 GLN 61 1HE2 GLN 61 121.205 12.495 1.161 432 HE22 GLN 61 2HE2 GLN 61 122.328 12.284 2.416 433 H TYR 62 H TYR 62 115.412 10.656 3.430 434 HA TYR 62 HA TYR 62 113.967 11.516 5.872 435 HB2 TYR 62 1HB TYR 62 112.913 9.756 3.658 436 HB3 TYR 62 2HB TYR 62 112.066 10.172 5.134 437 HD1 TYR 62 HD1 TYR 62 113.202 11.364 1.848 438 HD2 TYR 62 HD2 TYR 62 111.119 12.404 5.457 439 HE1 TYR 62 HE1 TYR 62 112.283 13.382 0.736 440 HE2 TYR 62 HE2 TYR 62 110.200 14.423 4.345 441 HH TYR 62 HH TYR 62 110.986 15.926 2.328 442 H TYR 63 H TYR 63 113.878 10.108 7.523 443 HA TYR 63 HA TYR 63 114.947 7.381 7.126 444 HB2 TYR 63 1HB TYR 63 116.722 8.758 8.097 445 HB3 TYR 63 2HB TYR 63 115.636 9.286 9.368 446 HD1 TYR 63 HD1 TYR 63 117.426 6.344 7.968 447 HD2 TYR 63 HD2 TYR 63 115.288 7.969 11.318 448 HE1 TYR 63 HE1 TYR 63 118.125 4.408 9.353 449 HE2 TYR 63 HE2 TYR 63 115.988 6.037 12.703 450 HH TYR 63 HH TYR 63 116.968 3.259 11.622 451 H GLY 64 H GLY 64 113.694 5.835 8.034 452 HA2 GLY 64 1HA GLY 64 111.767 6.636 10.132 453 HA3 GLY 64 2HA GLY 64 111.189 5.810 8.692 454 H ILE 65 H ILE 65 111.212 5.070 11.602 455 HA ILE 65 HA ILE 65 112.368 2.365 11.224 456 HB ILE 65 HB ILE 65 112.156 3.877 13.844 457 HG12 ILE 65 1HG1 ILE 65 114.625 3.105 12.258 458 HG13 ILE 65 2HG1 ILE 65 113.929 4.725 12.270 459 HG21 ILE 65 1HG2 ILE 65 113.397 1.972 14.758 460 HG22 ILE 65 2HG2 ILE 65 113.445 1.214 13.165 461 HG23 ILE 65 3HG2 ILE 65 111.906 1.404 14.005 462 HD11 ILE 65 3HD1 ILE 65 114.244 4.863 14.704 463 HD12 ILE 65 1HD1 ILE 65 115.779 4.524 13.906 464 HD13 ILE 65 2HD1 ILE 65 114.908 3.230 14.723 465 H THR 66 H THR 66 110.900 0.760 11.364 466 HA THR 66 HA THR 66 108.277 1.371 12.610 467 HB THR 66 HB THR 66 107.213 -0.034 10.921 468 HG1 THR 66 HG1 THR 66 108.751 -1.441 10.337 469 HG21 THR 66 3HG2 THR 66 108.828 2.343 10.101 470 HG22 THR 66 1HG2 THR 66 107.081 2.120 10.120 471 HG23 THR 66 2HG2 THR 66 108.048 1.400 8.834 472 H ALA 67 H ALA 67 107.193 -0.374 13.594 473 HA ALA 67 HA ALA 67 108.587 -2.952 13.785 474 HB1 ALA 67 1HB ALA 67 108.606 -3.019 16.133 475 HB2 ALA 67 2HB ALA 67 107.452 -1.692 16.273 476 HB3 ALA 67 3HB ALA 67 109.116 -1.365 15.788 477 H GLY 68 H GLY 68 107.111 -4.714 14.233 478 HA2 GLY 68 1HA GLY 68 104.281 -4.090 14.472 479 HA3 GLY 68 2HA GLY 68 104.778 -4.664 12.892 480 HA PRO 69 HA PRO 69 104.319 -8.498 15.418 481 HB2 PRO 69 1HB PRO 69 101.673 -8.930 15.785 482 HB3 PRO 69 2HB PRO 69 102.640 -7.984 16.931 483 HG2 PRO 69 1HG PRO 69 100.620 -7.089 15.011 484 HG3 PRO 69 2HG PRO 69 101.205 -6.309 16.486 485 HD2 PRO 69 1HD PRO 69 101.973 -5.748 13.771 486 HD3 PRO 69 2HD PRO 69 102.544 -4.958 15.256 487 H ALA 70 H ALA 70 104.686 -10.015 13.970 488 HA ALA 70 HA ALA 70 103.226 -10.345 11.500 489 HB1 ALA 70 1HB ALA 70 105.693 -10.866 11.864 490 HB2 ALA 70 2HB ALA 70 104.748 -12.121 11.061 491 HB3 ALA 70 3HB ALA 70 105.161 -12.284 12.768 492 H TYR 71 H TYR 71 101.560 -11.751 11.111 493 HA TYR 71 HA TYR 71 100.942 -13.773 13.190 494 HB2 TYR 71 1HB TYR 71 99.090 -12.513 11.160 495 HB3 TYR 71 2HB TYR 71 98.646 -13.756 12.314 496 HD1 TYR 71 HD1 TYR 71 98.692 -13.217 14.781 497 HD2 TYR 71 HD2 TYR 71 99.133 -10.213 11.743 498 HE1 TYR 71 HE1 TYR 71 98.134 -11.458 16.440 499 HE2 TYR 71 HE2 TYR 71 98.578 -8.455 13.402 500 HH TYR 71 HH TYR 71 98.740 -8.801 16.572 501 H ARG 72 H ARG 72 101.012 -15.882 12.543 502 HA ARG 72 HA ARG 72 102.177 -16.269 9.880 503 HB2 ARG 72 1HB ARG 72 102.131 -18.054 12.319 504 HB3 ARG 72 2HB ARG 72 102.921 -18.451 10.793 505 HG2 ARG 72 1HG ARG 72 104.323 -16.420 11.000 506 HG3 ARG 72 2HG ARG 72 103.560 -16.065 12.551 507 HD2 ARG 72 1HD ARG 72 105.634 -17.197 13.019 508 HD3 ARG 72 2HD ARG 72 104.328 -18.331 13.350 509 HE ARG 72 HE ARG 72 105.325 -18.531 10.658 510 HH11 ARG 72 1HH1 ARG 72 105.899 -19.589 13.954 511 HH12 ARG 72 2HH1 ARG 72 106.759 -21.007 13.455 512 HH21 ARG 72 1HH2 ARG 72 106.441 -20.370 10.075 513 HH22 ARG 72 2HH2 ARG 72 107.064 -21.443 11.285 514 H ILE 73 H ILE 73 100.746 -16.691 8.362 515 HA ILE 73 HA ILE 73 98.592 -18.630 8.831 516 HB ILE 73 HB ILE 73 99.238 -17.065 6.322 517 HG12 ILE 73 1HG1 ILE 73 98.679 -15.523 8.152 518 HG13 ILE 73 2HG1 ILE 73 97.367 -15.590 6.982 519 HG21 ILE 73 1HG2 ILE 73 97.891 -18.835 5.646 520 HG22 ILE 73 2HG2 ILE 73 96.686 -17.608 6.033 521 HG23 ILE 73 3HG2 ILE 73 97.029 -18.902 7.182 522 HD11 ILE 73 3HD1 ILE 73 97.469 -17.057 9.637 523 HD12 ILE 73 1HD1 ILE 73 96.165 -17.198 8.458 524 HD13 ILE 73 2HD1 ILE 73 96.465 -15.659 9.256 525 H ASN 74 H ASN 74 98.700 -20.700 8.101 526 HA ASN 74 HA ASN 74 101.223 -21.794 7.474 527 HB2 ASN 74 1HB ASN 74 98.462 -22.973 7.083 528 HB3 ASN 74 2HB ASN 74 99.972 -23.881 7.018 529 HD21 ASN 74 1HD2 ASN 74 101.391 -22.777 9.181 530 HD22 ASN 74 2HD2 ASN 74 100.555 -23.093 10.623 531 H ASP 75 H ASP 75 98.503 -20.847 5.396 532 HA ASP 75 HA ASP 75 99.779 -21.725 2.969 533 HB2 ASP 75 1HB ASP 75 97.514 -19.770 3.446 534 HB3 ASP 75 2HB ASP 75 98.018 -20.358 1.863 535 H TRP 76 H TRP 76 99.777 -19.681 1.236 536 HA TRP 76 HA TRP 76 101.937 -17.975 2.186 537 HB2 TRP 76 1HB TRP 76 102.157 -17.294 -0.120 538 HB3 TRP 76 2HB TRP 76 102.046 -19.039 -0.034 539 HD1 TRP 76 HD1 TRP 76 99.598 -20.102 -0.708 540 HE1 TRP 76 HE1 TRP 76 97.907 -19.287 -2.472 541 HE3 TRP 76 HE3 TRP 76 101.200 -15.291 -1.308 542 HZ2 TRP 76 HZ2 TRP 76 97.311 -16.906 -3.948 543 HZ3 TRP 76 HZ3 TRP 76 100.057 -13.775 -2.896 544 HH2 TRP 76 HH2 TRP 76 98.118 -14.573 -4.216 545 H ALA 77 H ALA 77 99.777 -17.372 3.636 546 HA ALA 77 HA ALA 77 98.658 -14.898 2.466 547 HB1 ALA 77 1HB ALA 77 96.837 -16.375 2.561 548 HB2 ALA 77 2HB ALA 77 96.687 -15.412 4.033 549 HB3 ALA 77 3HB ALA 77 97.347 -17.046 4.112 550 H SER 78 H SER 78 101.089 -15.203 4.255 551 HA SER 78 HA SER 78 100.235 -14.757 6.968 552 HB2 SER 78 1HB SER 78 102.462 -15.787 6.220 553 HB3 SER 78 2HB SER 78 102.965 -14.144 5.836 554 HG SER 78 HG SER 78 101.835 -14.785 8.340 555 H ILE 79 H ILE 79 100.467 -12.751 8.164 556 HA ILE 79 HA ILE 79 100.326 -10.374 6.392 557 HB ILE 79 HB ILE 79 98.043 -11.129 6.924 558 HG12 ILE 79 1HG1 ILE 79 97.278 -8.978 8.002 559 HG13 ILE 79 2HG1 ILE 79 98.975 -8.577 8.267 560 HG21 ILE 79 1HG2 ILE 79 98.808 -10.612 9.811 561 HG22 ILE 79 2HG2 ILE 79 98.612 -12.215 9.099 562 HG23 ILE 79 3HG2 ILE 79 97.230 -11.126 9.213 563 HD11 ILE 79 3HD1 ILE 79 97.850 -7.669 6.119 564 HD12 ILE 79 1HD1 ILE 79 97.968 -9.326 5.526 565 HD13 ILE 79 2HD1 ILE 79 99.429 -8.438 5.957 566 H TYR 80 H TYR 80 101.555 -8.777 7.013 567 HA TYR 80 HA TYR 80 102.371 -8.593 9.863 568 HB2 TYR 80 1HB TYR 80 103.851 -7.684 7.384 569 HB3 TYR 80 2HB TYR 80 104.391 -7.448 9.036 570 HD1 TYR 80 HD1 TYR 80 103.400 -10.168 6.651 571 HD2 TYR 80 HD2 TYR 80 105.831 -9.004 9.996 572 HE1 TYR 80 HE1 TYR 80 104.560 -12.360 6.572 573 HE2 TYR 80 HE2 TYR 80 106.983 -11.194 9.921 574 HH TYR 80 HH TYR 80 106.135 -13.683 8.911 575 H GLY 81 H GLY 81 101.775 -6.724 10.881 576 HA2 GLY 81 1HA GLY 81 101.131 -4.374 9.151 577 HA3 GLY 81 2HA GLY 81 100.258 -4.741 10.640 578 H VAL 82 H VAL 82 102.099 -2.423 9.728 579 HA VAL 82 HA VAL 82 103.863 -2.468 12.098 580 HB VAL 82 HB VAL 82 105.721 -1.591 10.728 581 HG11 VAL 82 1HG1 VAL 82 106.161 -3.746 9.470 582 HG12 VAL 82 2HG1 VAL 82 104.536 -4.260 9.925 583 HG13 VAL 82 3HG1 VAL 82 105.746 -3.954 11.171 584 HG21 VAL 82 3HG2 VAL 82 105.569 -1.748 8.269 585 HG22 VAL 82 1HG2 VAL 82 104.358 -0.634 8.900 586 HG23 VAL 82 2HG2 VAL 82 103.887 -2.259 8.402 587 H VAL 83 H VAL 83 104.413 -0.493 12.942 588 HA VAL 83 HA VAL 83 103.459 1.928 11.564 589 HB VAL 83 HB VAL 83 101.809 1.390 13.320 590 HG11 VAL 83 1HG1 VAL 83 104.116 1.660 15.266 591 HG12 VAL 83 2HG1 VAL 83 103.416 0.119 14.774 592 HG13 VAL 83 3HG1 VAL 83 102.435 1.290 15.657 593 HG21 VAL 83 3HG2 VAL 83 102.396 3.760 12.815 594 HG22 VAL 83 1HG2 VAL 83 103.599 3.710 14.105 595 HG23 VAL 83 2HG2 VAL 83 101.885 3.536 14.488 596 H GLY 84 H GLY 84 104.886 3.680 11.760 597 HA2 GLY 84 1HA GLY 84 107.228 3.346 13.491 598 HA3 GLY 84 2HA GLY 84 107.514 3.409 11.757 599 H VAL 85 H VAL 85 108.766 5.249 13.097 600 HA VAL 85 HA VAL 85 107.184 7.736 12.712 601 HB VAL 85 HB VAL 85 109.619 7.331 14.475 602 HG11 VAL 85 1HG1 VAL 85 109.636 9.590 13.850 603 HG12 VAL 85 2HG1 VAL 85 108.682 9.619 15.332 604 HG13 VAL 85 3HG1 VAL 85 107.877 9.679 13.763 605 HG21 VAL 85 3HG2 VAL 85 106.657 7.371 15.036 606 HG22 VAL 85 1HG2 VAL 85 107.811 7.879 16.270 607 HG23 VAL 85 2HG2 VAL 85 107.875 6.239 15.624 608 H GLY 86 H GLY 86 107.839 8.960 11.042 609 HA2 GLY 86 1HA GLY 86 110.589 8.519 9.982 610 HA3 GLY 86 2HA GLY 86 109.187 8.785 8.949 611 H TYR 87 H TYR 87 111.763 10.339 9.399 612 HA TYR 87 HA TYR 87 110.423 12.952 9.621 613 HB2 TYR 87 1HB TYR 87 112.134 13.863 11.009 614 HB3 TYR 87 2HB TYR 87 111.522 12.417 11.782 615 HD1 TYR 87 HD1 TYR 87 114.389 13.974 10.090 616 HD2 TYR 87 HD2 TYR 87 112.918 10.419 11.999 617 HE1 TYR 87 HE1 TYR 87 116.705 13.103 10.253 618 HE2 TYR 87 HE2 TYR 87 115.234 9.548 12.163 619 HH TYR 87 HH TYR 87 117.359 9.862 11.570 620 H GLY 88 H GLY 88 111.449 14.661 8.546 621 HA2 GLY 88 1HA GLY 88 113.466 13.838 6.525 622 HA3 GLY 88 2HA GLY 88 112.088 14.857 6.119 623 H LYS 89 H LYS 89 115.105 15.268 6.087 624 HA LYS 89 HA LYS 89 115.018 17.928 7.310 625 HB2 LYS 89 1HB LYS 89 117.111 17.650 8.488 626 HB3 LYS 89 2HB LYS 89 115.986 16.403 9.013 627 HG2 LYS 89 1HG LYS 89 117.064 14.820 7.398 628 HG3 LYS 89 2HG LYS 89 118.252 16.069 7.024 629 HD2 LYS 89 1HD LYS 89 118.760 16.156 9.521 630 HD3 LYS 89 2HD LYS 89 117.796 14.686 9.676 631 HE2 LYS 89 1HE LYS 89 120.129 14.941 7.762 632 HE3 LYS 89 2HE LYS 89 120.284 14.296 9.396 633 HZ1 LYS 89 3HZ LYS 89 119.903 12.405 8.179 634 HZ2 LYS 89 1HZ LYS 89 118.861 13.174 7.083 635 HZ3 LYS 89 2HZ LYS 89 118.319 12.802 8.649 636 H PHE 90 H PHE 90 116.543 19.422 6.464 637 HA PHE 90 HA PHE 90 117.566 18.663 3.809 638 HB2 PHE 90 1HB PHE 90 116.104 20.627 3.918 639 HB3 PHE 90 2HB PHE 90 117.182 21.378 5.078 640 HD1 PHE 90 HD1 PHE 90 119.336 22.307 4.370 641 HD2 PHE 90 HD2 PHE 90 116.663 20.466 1.555 642 HE1 PHE 90 HE1 PHE 90 120.618 23.307 2.497 643 HE2 PHE 90 HE2 PHE 90 117.945 21.465 -0.315 644 HZ PHE 90 HZ PHE 90 119.923 22.887 0.154 645 H GLN 91 H GLN 91 119.696 18.624 3.347 646 HA GLN 91 HA GLN 91 121.574 19.195 5.543 647 HB2 GLN 91 1HB GLN 91 121.619 16.937 4.486 648 HB3 GLN 91 2HB GLN 91 122.055 17.699 2.955 649 HG2 GLN 91 1HG GLN 91 124.083 18.634 3.973 650 HG3 GLN 91 2HG GLN 91 123.643 17.934 5.527 651 HE21 GLN 91 1HE2 GLN 91 126.092 17.174 4.558 652 HE22 GLN 91 2HE2 GLN 91 126.045 15.585 3.964 653 H THR 92 H THR 92 122.878 20.913 5.462 654 HA THR 92 HA THR 92 123.043 22.434 2.928 655 HB THR 92 HB THR 92 123.602 23.406 5.740 656 HG1 THR 92 HG1 THR 92 121.281 23.321 4.162 657 HG21 THR 92 3HG2 THR 92 123.257 24.789 3.067 658 HG22 THR 92 1HG2 THR 92 124.720 24.728 4.049 659 HG23 THR 92 2HG2 THR 92 123.317 25.633 4.615 660 H THR 93 H THR 93 124.985 22.801 1.994 661 HA THR 93 HA THR 93 127.464 22.583 3.442 662 HB THR 93 HB THR 93 126.896 20.498 1.324 663 HG1 THR 93 HG1 THR 93 126.987 20.365 4.150 664 HG21 THR 93 3HG2 THR 93 129.216 20.854 3.240 665 HG22 THR 93 1HG2 THR 93 129.253 21.266 1.527 666 HG23 THR 93 2HG2 THR 93 129.052 19.586 2.026 667 H GLU 94 H GLU 94 126.391 22.023 0.080 668 HA GLU 94 HA GLU 94 128.556 23.328 -1.121 669 HB2 GLU 94 1HB GLU 94 126.961 21.782 -2.270 670 HB3 GLU 94 2HB GLU 94 125.762 23.074 -2.251 671 HG2 GLU 94 1HG GLU 94 127.359 24.531 -3.488 672 HG3 GLU 94 2HG GLU 94 128.487 23.185 -3.571 673 H TYR 95 H TYR 95 125.407 24.581 -0.083 674 HA TYR 95 HA TYR 95 126.471 27.267 -0.047 675 HB2 TYR 95 1HB TYR 95 125.476 26.531 -2.442 676 HB3 TYR 95 2HB TYR 95 123.998 27.083 -1.681 677 HD1 TYR 95 HD1 TYR 95 127.576 28.229 -1.824 678 HD2 TYR 95 HD2 TYR 95 123.426 29.260 -2.218 679 HE1 TYR 95 HE1 TYR 95 128.207 30.568 -2.351 680 HE2 TYR 95 HE2 TYR 95 124.056 31.601 -2.744 681 HH TYR 95 HH TYR 95 127.299 32.515 -3.440 682 HA PRO 96 HA PRO 96 123.192 27.356 2.983 683 HB2 PRO 96 1HB PRO 96 123.304 29.930 3.781 684 HB3 PRO 96 2HB PRO 96 124.628 28.795 4.108 685 HG2 PRO 96 1HG PRO 96 124.476 30.991 2.154 686 HG3 PRO 96 2HG PRO 96 125.881 30.298 2.975 687 HD2 PRO 96 1HD PRO 96 125.008 29.744 0.323 688 HD3 PRO 96 2HD PRO 96 126.316 28.938 1.213 689 H THR 97 H THR 97 121.025 28.033 3.320 690 HA THR 97 HA THR 97 119.847 29.802 1.272 691 HB THR 97 HB THR 97 119.494 27.495 0.533 692 HG1 THR 97 HG1 THR 97 117.226 28.807 1.602 693 HG21 THR 97 3HG2 THR 97 118.311 27.165 3.297 694 HG22 THR 97 1HG2 THR 97 119.632 26.252 2.569 695 HG23 THR 97 2HG2 THR 97 117.985 26.046 1.975 696 H TYR 98 H TYR 98 117.922 30.848 1.894 697 HA TYR 98 HA TYR 98 117.803 31.591 4.631 698 HB2 TYR 98 1HB TYR 98 115.832 32.050 2.391 699 HB3 TYR 98 2HB TYR 98 115.765 32.827 3.961 700 HD1 TYR 98 HD1 TYR 98 117.515 32.646 0.734 701 HD2 TYR 98 HD2 TYR 98 117.372 34.568 4.574 702 HE1 TYR 98 HE1 TYR 98 119.024 34.429 -0.102 703 HE2 TYR 98 HE2 TYR 98 118.880 36.350 3.737 704 HH TYR 98 HH TYR 98 119.919 37.194 1.959 705 H LYS 99 H LYS 99 115.880 29.383 2.644 706 HA LYS 99 HA LYS 99 114.164 28.773 4.951 707 HB2 LYS 99 1HB LYS 99 113.973 27.977 2.037 708 HB3 LYS 99 2HB LYS 99 112.832 27.481 3.287 709 HG2 LYS 99 1HG LYS 99 112.234 29.793 3.735 710 HG3 LYS 99 2HG LYS 99 113.470 30.367 2.617 711 HD2 LYS 99 1HD LYS 99 111.363 30.442 1.449 712 HD3 LYS 99 2HD LYS 99 112.283 29.092 0.786 713 HE2 LYS 99 1HE LYS 99 109.918 28.478 1.232 714 HE3 LYS 99 2HE LYS 99 111.043 27.517 2.191 715 HZ1 LYS 99 3HZ LYS 99 109.882 30.013 3.256 716 HZ2 LYS 99 1HZ LYS 99 110.552 28.707 4.105 717 HZ3 LYS 99 2HZ LYS 99 109.035 28.544 3.359 718 H HIS 100 H HIS 100 114.187 26.837 5.987 719 HA HIS 100 HA HIS 100 116.018 24.742 4.972 720 HB2 HIS 100 1HB HIS 100 117.003 26.129 6.833 721 HB3 HIS 100 2HB HIS 100 115.720 25.534 7.868 722 HD1 HIS 100 HD1 HIS 100 118.462 24.076 5.646 723 HD2 HIS 100 HD2 HIS 100 116.456 23.239 9.203 724 HE1 HIS 100 HE1 HIS 100 119.552 22.008 6.612 725 H ASP 101 H ASP 101 115.055 22.831 4.789 726 HA ASP 101 HA ASP 101 112.378 22.331 5.433 727 HB2 ASP 101 1HB ASP 101 113.845 21.055 3.800 728 HB3 ASP 101 2HB ASP 101 114.500 20.201 5.198 729 H THR 102 H THR 102 115.302 21.819 7.313 730 HA THR 102 HA THR 102 115.700 21.020 9.401 731 HB THR 102 HB THR 102 114.614 23.222 9.833 732 HG1 THR 102 HG1 THR 102 114.857 22.820 11.881 733 HG21 THR 102 3HG2 THR 102 112.326 23.114 10.897 734 HG22 THR 102 1HG2 THR 102 112.170 21.482 10.251 735 HG23 THR 102 2HG2 THR 102 112.338 22.853 9.154 736 H SER 103 H SER 103 114.105 20.136 11.493 737 HA SER 103 HA SER 103 113.439 17.510 10.367 738 HB2 SER 103 1HB SER 103 115.110 17.652 12.193 739 HB3 SER 103 2HB SER 103 113.870 18.321 13.247 740 HG SER 103 HG SER 103 114.356 15.757 12.568 741 H ASP 104 H ASP 104 111.432 16.905 10.102 742 HA ASP 104 HA ASP 104 109.405 17.685 12.095 743 HB2 ASP 104 1HB ASP 104 109.019 17.665 9.087 744 HB3 ASP 104 2HB ASP 104 107.727 17.860 10.269 745 H TYR 105 H TYR 105 107.947 16.034 12.582 746 HA TYR 105 HA TYR 105 108.771 13.373 11.589 747 HB2 TYR 105 1HB TYR 105 107.416 14.126 14.179 748 HB3 TYR 105 2HB TYR 105 107.927 12.514 13.713 749 HD1 TYR 105 HD1 TYR 105 110.322 11.922 13.662 750 HD2 TYR 105 HD2 TYR 105 108.984 15.800 14.941 751 HE1 TYR 105 HE1 TYR 105 112.545 12.357 14.667 752 HE2 TYR 105 HE2 TYR 105 111.209 16.233 15.946 753 HH TYR 105 HH TYR 105 113.383 13.946 16.655 754 H GLY 106 H GLY 106 107.228 11.813 11.081 755 HA2 GLY 106 1HA GLY 106 104.391 12.572 11.182 756 HA3 GLY 106 2HA GLY 106 105.076 12.081 9.633 757 H PHE 107 H PHE 107 102.989 10.621 10.769 758 HA PHE 107 HA PHE 107 104.294 8.227 11.917 759 HB2 PHE 107 1HB PHE 107 101.389 9.049 11.827 760 HB3 PHE 107 2HB PHE 107 101.983 7.542 12.500 761 HD1 PHE 107 HD1 PHE 107 103.379 7.562 14.564 762 HD2 PHE 107 HD2 PHE 107 101.546 11.123 13.015 763 HE1 PHE 107 HE1 PHE 107 103.734 8.692 16.743 764 HE2 PHE 107 HE2 PHE 107 101.898 12.253 15.194 765 HZ PHE 107 HZ PHE 107 102.992 11.038 17.058 766 H SER 108 H SER 108 104.559 6.468 10.676 767 HA SER 108 HA SER 108 102.985 6.291 8.158 768 HB2 SER 108 1HB SER 108 105.702 5.119 8.800 769 HB3 SER 108 2HB SER 108 104.842 4.963 7.270 770 HG SER 108 HG SER 108 106.374 6.690 7.283 771 H TYR 109 H TYR 109 101.881 4.442 7.696 772 HA TYR 109 HA TYR 109 102.253 2.094 9.439 773 HB2 TYR 109 1HB TYR 109 100.374 3.418 10.360 774 HB3 TYR 109 2HB TYR 109 99.573 3.338 8.802 775 HD1 TYR 109 HD1 TYR 109 100.643 1.397 11.760 776 HD2 TYR 109 HD2 TYR 109 98.415 1.346 8.090 777 HE1 TYR 109 HE1 TYR 109 99.591 -0.749 12.428 778 HE2 TYR 109 HE2 TYR 109 97.363 -0.799 8.756 779 HH TYR 109 HH TYR 109 96.948 -2.140 10.617 780 H GLY 110 H GLY 110 101.827 0.110 8.395 781 HA2 GLY 110 1HA GLY 110 100.663 0.110 5.736 782 HA3 GLY 110 2HA GLY 110 102.396 -0.182 5.758 783 H ALA 111 H ALA 111 101.075 -2.124 4.684 784 HA ALA 111 HA ALA 111 101.350 -4.305 6.587 785 HB1 ALA 111 1HB ALA 111 98.765 -3.907 5.063 786 HB2 ALA 111 2HB ALA 111 98.967 -3.665 6.798 787 HB3 ALA 111 3HB ALA 111 99.158 -5.276 6.104 788 H GLY 112 H GLY 112 101.667 -6.349 5.574 789 HA2 GLY 112 1HA GLY 112 101.808 -6.360 2.638 790 HA3 GLY 112 2HA GLY 112 103.300 -6.645 3.525 791 H LEU 113 H LEU 113 102.220 -8.473 1.727 792 HA LEU 113 HA LEU 113 101.287 -10.678 3.469 793 HB2 LEU 113 1HB LEU 113 100.905 -10.376 0.480 794 HB3 LEU 113 2HB LEU 113 100.291 -11.690 1.482 795 HG LEU 113 HG LEU 113 99.547 -8.769 1.820 796 HD11 LEU 113 1HD1 LEU 113 97.283 -9.684 1.023 797 HD12 LEU 113 2HD1 LEU 113 98.177 -11.095 0.459 798 HD13 LEU 113 3HD1 LEU 113 98.533 -9.500 -0.206 799 HD21 LEU 113 3HD2 LEU 113 98.787 -11.330 3.217 800 HD22 LEU 113 1HD2 LEU 113 97.666 -9.971 3.177 801 HD23 LEU 113 2HD2 LEU 113 99.252 -9.784 3.925 802 H GLN 114 H GLN 114 102.298 -12.792 3.111 803 HA GLN 114 HA GLN 114 104.951 -12.530 1.786 804 HB2 GLN 114 1HB GLN 114 105.046 -12.523 4.290 805 HB3 GLN 114 2HB GLN 114 104.354 -14.146 4.265 806 HG2 GLN 114 1HG GLN 114 106.231 -14.945 2.900 807 HG3 GLN 114 2HG GLN 114 106.920 -13.327 2.878 808 HE21 GLN 114 1HE2 GLN 114 108.588 -15.232 3.883 809 HE22 GLN 114 2HE2 GLN 114 108.678 -15.146 5.575 810 H PHE 115 H PHE 115 105.578 -14.081 0.443 811 HA PHE 115 HA PHE 115 104.213 -16.708 0.543 812 HB2 PHE 115 1HB PHE 115 103.576 -15.470 -1.509 813 HB3 PHE 115 2HB PHE 115 105.272 -15.245 -1.894 814 HD1 PHE 115 HD1 PHE 115 106.692 -17.278 -2.418 815 HD2 PHE 115 HD2 PHE 115 102.414 -17.448 -2.094 816 HE1 PHE 115 HE1 PHE 115 106.684 -19.428 -3.654 817 HE2 PHE 115 HE2 PHE 115 102.404 -19.602 -3.324 818 HZ PHE 115 HZ PHE 115 104.540 -20.592 -4.106 819 H ASN 116 H ASN 116 105.736 -18.103 1.381 820 HA ASN 116 HA ASN 116 108.586 -17.408 0.902 821 HB2 ASN 116 1HB ASN 116 107.816 -16.870 3.165 822 HB3 ASN 116 2HB ASN 116 107.325 -18.545 3.395 823 HD21 ASN 116 1HD2 ASN 116 109.195 -20.197 3.048 824 HD22 ASN 116 2HD2 ASN 116 110.730 -19.735 3.607 825 HA PRO 117 HA PRO 117 109.263 -21.838 0.636 826 HB2 PRO 117 1HB PRO 117 111.074 -21.695 -1.473 827 HB3 PRO 117 2HB PRO 117 109.339 -22.008 -1.660 828 HG2 PRO 117 1HG PRO 117 110.784 -19.747 -2.547 829 HG3 PRO 117 2HG PRO 117 109.037 -20.014 -2.614 830 HD2 PRO 117 1HD PRO 117 110.618 -18.467 -0.608 831 HD3 PRO 117 2HD PRO 117 108.947 -18.212 -1.173 832 H MET 118 H MET 118 111.603 -22.882 0.699 833 HA MET 118 HA MET 118 113.055 -21.658 2.781 834 HB2 MET 118 1HB MET 118 113.892 -23.805 0.819 835 HB3 MET 118 2HB MET 118 114.782 -23.381 2.283 836 HG2 MET 118 1HG MET 118 112.705 -23.869 3.611 837 HG3 MET 118 2HG MET 118 111.954 -24.462 2.129 838 HE1 MET 118 3HE MET 118 113.711 -27.471 1.052 839 HE2 MET 118 1HE MET 118 114.790 -26.099 0.773 840 HE3 MET 118 2HE MET 118 113.049 -25.908 0.581 841 H GLU 119 H GLU 119 115.202 -20.806 2.775 842 HA GLU 119 HA GLU 119 117.029 -19.662 2.031 843 HB2 GLU 119 1HB GLU 119 116.267 -20.822 -0.664 844 HB3 GLU 119 2HB GLU 119 117.814 -20.078 -0.272 845 HG2 GLU 119 1HG GLU 119 118.146 -21.762 1.520 846 HG3 GLU 119 2HG GLU 119 116.648 -22.544 1.035 847 H ASN 120 H ASN 120 117.481 -18.201 -0.318 848 HA ASN 120 HA ASN 120 116.346 -15.749 0.340 849 HB2 ASN 120 1HB ASN 120 118.508 -16.222 -0.886 850 HB3 ASN 120 2HB ASN 120 117.529 -16.439 -2.337 851 HD21 ASN 120 1HD2 ASN 120 118.600 -14.482 -3.250 852 HD22 ASN 120 2HD2 ASN 120 118.107 -12.940 -2.745 853 H VAL 121 H VAL 121 114.803 -18.225 -1.355 854 HA VAL 121 HA VAL 121 113.678 -16.643 -3.462 855 HB VAL 121 HB VAL 121 112.848 -19.436 -2.652 856 HG11 VAL 121 1HG1 VAL 121 111.339 -18.724 -4.294 857 HG12 VAL 121 2HG1 VAL 121 112.589 -19.471 -5.278 858 HG13 VAL 121 3HG1 VAL 121 112.537 -17.716 -5.100 859 HG21 VAL 121 3HG2 VAL 121 115.132 -18.537 -4.439 860 HG22 VAL 121 1HG2 VAL 121 114.514 -20.188 -4.377 861 HG23 VAL 121 2HG2 VAL 121 115.266 -19.472 -2.950 862 H ALA 122 H ALA 122 112.926 -16.025 -0.467 863 HA ALA 122 HA ALA 122 109.998 -16.343 -0.738 864 HB1 ALA 122 1HB ALA 122 109.915 -15.886 1.663 865 HB2 ALA 122 2HB ALA 122 111.652 -15.590 1.686 866 HB3 ALA 122 3HB ALA 122 111.040 -17.207 1.344 867 H LEU 123 H LEU 123 108.648 -14.535 -0.717 868 HA LEU 123 HA LEU 123 110.020 -11.923 -0.987 869 HB2 LEU 123 1HB LEU 123 107.845 -12.980 -2.808 870 HB3 LEU 123 2HB LEU 123 108.636 -11.410 -2.927 871 HG LEU 123 HG LEU 123 110.053 -14.080 -3.174 872 HD11 LEU 123 1HD1 LEU 123 109.231 -12.047 -5.270 873 HD12 LEU 123 2HD1 LEU 123 108.573 -13.674 -5.087 874 HD13 LEU 123 3HD1 LEU 123 110.254 -13.453 -5.572 875 HD21 LEU 123 3HD2 LEU 123 110.925 -11.193 -3.372 876 HD22 LEU 123 1HD2 LEU 123 111.841 -12.486 -4.147 877 HD23 LEU 123 2HD2 LEU 123 111.627 -12.484 -2.397 878 H ASP 124 H ASP 124 108.782 -10.098 -0.486 879 HA ASP 124 HA ASP 124 106.081 -10.560 0.608 880 HB2 ASP 124 1HB ASP 124 107.733 -10.523 2.478 881 HB3 ASP 124 2HB ASP 124 108.207 -8.899 1.981 882 H PHE 125 H PHE 125 104.638 -8.932 0.212 883 HA PHE 125 HA PHE 125 105.663 -6.520 -1.186 884 HB2 PHE 125 1HB PHE 125 104.498 -8.102 -2.712 885 HB3 PHE 125 2HB PHE 125 103.068 -7.982 -1.706 886 HD1 PHE 125 HD1 PHE 125 105.289 -6.169 -4.045 887 HD2 PHE 125 HD2 PHE 125 101.615 -6.061 -1.821 888 HE1 PHE 125 HE1 PHE 125 104.559 -4.189 -5.346 889 HE2 PHE 125 HE2 PHE 125 100.887 -4.079 -3.123 890 HZ PHE 125 HZ PHE 125 102.359 -3.143 -4.885 891 H SER 126 H SER 126 105.016 -4.598 -0.302 892 HA SER 126 HA SER 126 102.756 -4.636 1.593 893 HB2 SER 126 1HB SER 126 104.838 -5.058 2.888 894 HB3 SER 126 2HB SER 126 105.492 -3.542 2.278 895 HG SER 126 HG SER 126 104.130 -2.451 3.513 896 H TYR 127 H TYR 127 101.833 -2.602 2.014 897 HA TYR 127 HA TYR 127 102.830 -0.353 0.366 898 HB2 TYR 127 1HB TYR 127 100.571 0.344 -0.038 899 HB3 TYR 127 2HB TYR 127 100.729 -1.329 -0.530 900 HD1 TYR 127 HD1 TYR 127 99.703 -3.139 0.844 901 HD2 TYR 127 HD2 TYR 127 99.117 1.020 1.746 902 HE1 TYR 127 HE1 TYR 127 97.771 -3.723 2.285 903 HE2 TYR 127 HE2 TYR 127 97.185 0.434 3.187 904 HH TYR 127 HH TYR 127 95.756 -2.668 3.172 905 H GLU 128 H GLU 128 102.849 1.652 1.350 906 HA GLU 128 HA GLU 128 102.114 1.730 4.218 907 HB2 GLU 128 1HB GLU 128 104.633 2.841 2.953 908 HB3 GLU 128 2HB GLU 128 104.153 3.049 4.637 909 HG2 GLU 128 1HG GLU 128 104.160 0.576 4.914 910 HG3 GLU 128 2HG GLU 128 104.724 0.412 3.257 911 H GLN 129 H GLN 129 101.388 3.717 4.981 912 HA GLN 129 HA GLN 129 100.941 5.816 2.945 913 HB2 GLN 129 1HB GLN 129 98.881 4.469 3.365 914 HB3 GLN 129 2HB GLN 129 98.956 4.955 5.059 915 HG2 GLN 129 1HG GLN 129 98.804 7.315 4.416 916 HG3 GLN 129 2HG GLN 129 98.786 6.866 2.714 917 HE21 GLN 129 1HE2 GLN 129 96.633 8.339 3.544 918 HE22 GLN 129 2HE2 GLN 129 95.249 7.367 3.695 919 H SER 130 H SER 130 101.476 7.781 3.539 920 HA SER 130 HA SER 130 101.991 8.385 6.371 921 HB2 SER 130 1HB SER 130 103.333 10.180 5.674 922 HB3 SER 130 2HB SER 130 103.669 8.950 4.464 923 HG SER 130 HG SER 130 102.782 11.382 4.072 924 H ARG 131 H ARG 131 100.974 10.280 7.306 925 HA ARG 131 HA ARG 131 98.161 10.048 6.558 926 HB2 ARG 131 1HB ARG 131 98.947 9.554 8.886 927 HB3 ARG 131 2HB ARG 131 99.404 11.250 9.048 928 HG2 ARG 131 1HG ARG 131 97.062 11.913 8.574 929 HG3 ARG 131 2HG ARG 131 96.612 10.209 8.478 930 HD2 ARG 131 1HD ARG 131 97.439 9.905 10.815 931 HD3 ARG 131 2HD ARG 131 97.742 11.638 10.900 932 HE ARG 131 HE ARG 131 95.436 12.008 11.021 933 HH11 ARG 131 1HH1 ARG 131 96.046 8.611 10.380 934 HH12 ARG 131 2HH1 ARG 131 94.409 8.153 10.709 935 HH21 ARG 131 1HH2 ARG 131 93.344 11.357 11.431 936 HH22 ARG 131 2HH2 ARG 131 92.899 9.689 11.297 937 H ILE 132 H ILE 132 96.753 12.082 6.661 938 HA ILE 132 HA ILE 132 98.153 13.252 4.400 939 HB ILE 132 HB ILE 132 95.203 13.241 5.074 940 HG12 ILE 132 1HG1 ILE 132 96.738 11.509 3.117 941 HG13 ILE 132 2HG1 ILE 132 96.268 10.978 4.731 942 HG21 ILE 132 1HG2 ILE 132 94.903 13.778 2.688 943 HG22 ILE 132 2HG2 ILE 132 96.651 13.830 2.472 944 HG23 ILE 132 3HG2 ILE 132 95.853 15.029 3.487 945 HD11 ILE 132 3HD1 ILE 132 94.399 11.861 2.513 946 HD12 ILE 132 1HD1 ILE 132 93.888 11.469 4.156 947 HD13 ILE 132 2HD1 ILE 132 94.595 10.220 3.130 948 H ARG 133 H ARG 133 99.323 14.876 5.319 949 HA ARG 133 HA ARG 133 97.922 17.387 5.813 950 HB2 ARG 133 1HB ARG 133 100.840 16.776 5.230 951 HB3 ARG 133 2HB ARG 133 100.197 18.369 5.635 952 HG2 ARG 133 1HG ARG 133 99.364 17.447 7.795 953 HG3 ARG 133 2HG ARG 133 100.122 15.904 7.399 954 HD2 ARG 133 1HD ARG 133 102.315 17.129 7.179 955 HD3 ARG 133 2HD ARG 133 101.509 18.565 7.802 956 HE ARG 133 HE ARG 133 101.290 16.163 9.441 957 HH11 ARG 133 1HH1 ARG 133 103.003 19.179 8.899 958 HH12 ARG 133 2HH1 ARG 133 103.638 19.222 10.510 959 HH21 ARG 133 1HH2 ARG 133 102.134 16.275 11.501 960 HH22 ARG 133 2HH2 ARG 133 103.151 17.599 11.964 961 H SER 134 H SER 134 99.030 19.161 4.083 962 HA SER 134 HA SER 134 97.480 18.853 1.802 963 HB2 SER 134 1HB SER 134 98.438 21.002 2.572 964 HB3 SER 134 2HB SER 134 100.026 20.468 2.031 965 HG SER 134 HG SER 134 97.686 20.934 0.497 966 H VAL 135 H VAL 135 100.605 17.409 2.414 967 HA VAL 135 HA VAL 135 100.492 16.272 -0.322 968 HB VAL 135 HB VAL 135 102.901 16.467 1.508 969 HG11 VAL 135 1HG1 VAL 135 102.551 15.522 -1.354 970 HG12 VAL 135 2HG1 VAL 135 103.018 14.534 0.032 971 HG13 VAL 135 3HG1 VAL 135 104.112 15.778 -0.574 972 HG21 VAL 135 3HG2 VAL 135 103.706 18.195 0.018 973 HG22 VAL 135 1HG2 VAL 135 102.089 18.659 0.548 974 HG23 VAL 135 2HG2 VAL 135 102.330 17.975 -1.060 975 H ASP 136 H ASP 136 100.106 14.129 -0.465 976 HA ASP 136 HA ASP 136 100.154 12.526 2.031 977 HB2 ASP 136 1HB ASP 136 97.895 12.892 1.066 978 HB3 ASP 136 2HB ASP 136 98.433 12.137 -0.431 979 H VAL 137 H VAL 137 101.145 10.477 1.984 980 HA VAL 137 HA VAL 137 102.833 10.061 -0.439 981 HB VAL 137 HB VAL 137 103.451 9.103 2.356 982 HG11 VAL 137 1HG1 VAL 137 104.433 7.890 0.360 983 HG12 VAL 137 2HG1 VAL 137 105.616 8.595 1.460 984 HG13 VAL 137 3HG1 VAL 137 105.238 9.402 -0.061 985 HG21 VAL 137 3HG2 VAL 137 105.015 10.947 2.515 986 HG22 VAL 137 1HG2 VAL 137 103.438 11.627 2.114 987 HG23 VAL 137 2HG2 VAL 137 104.665 11.446 0.861 988 H GLY 138 H GLY 138 102.747 8.199 -1.528 989 HA2 GLY 138 1HA GLY 138 101.494 5.851 -0.215 990 HA3 GLY 138 2HA GLY 138 101.224 6.233 -1.917 991 H THR 139 H THR 139 102.910 4.154 -0.046 992 HA THR 139 HA THR 139 105.234 4.120 -1.891 993 HB THR 139 HB THR 139 105.292 3.398 1.044 994 HG1 THR 139 HG1 THR 139 106.236 5.358 1.338 995 HG21 THR 139 3HG2 THR 139 107.290 3.445 -1.201 996 HG22 THR 139 1HG2 THR 139 107.028 2.208 0.029 997 HG23 THR 139 2HG2 THR 139 107.827 3.721 0.457 998 H TRP 140 H TRP 140 105.649 2.230 -2.858 999 HA TRP 140 HA TRP 140 104.322 -0.213 -1.811 1000 HB2 TRP 140 1HB TRP 140 105.123 0.508 -4.634 1001 HB3 TRP 140 2HB TRP 140 104.549 -1.075 -4.145 1002 HD1 TRP 140 HD1 TRP 140 101.978 -1.109 -3.111 1003 HE1 TRP 140 HE1 TRP 140 99.932 0.268 -3.860 1004 HE3 TRP 140 HE3 TRP 140 104.329 2.671 -5.611 1005 HZ2 TRP 140 HZ2 TRP 140 99.366 2.663 -5.326 1006 HZ3 TRP 140 HZ3 TRP 140 103.017 4.484 -6.672 1007 HH2 TRP 140 HH2 TRP 140 100.543 4.486 -6.534 1008 H ILE 141 H ILE 141 105.634 -1.940 -1.304 1009 HA ILE 141 HA ILE 141 108.538 -1.578 -1.789 1010 HB ILE 141 HB ILE 141 107.231 -2.673 0.717 1011 HG12 ILE 141 1HG1 ILE 141 108.726 -0.061 0.359 1012 HG13 ILE 141 2HG1 ILE 141 106.966 -0.177 0.352 1013 HG21 ILE 141 1HG2 ILE 141 110.121 -1.917 0.206 1014 HG22 ILE 141 2HG2 ILE 141 109.514 -3.568 0.080 1015 HG23 ILE 141 3HG2 ILE 141 109.463 -2.726 1.627 1016 HD11 ILE 141 3HD1 ILE 141 108.737 -1.130 2.623 1017 HD12 ILE 141 1HD1 ILE 141 106.975 -1.095 2.608 1018 HD13 ILE 141 2HD1 ILE 141 107.884 0.414 2.599 1019 H ALA 142 H ALA 142 109.573 -3.296 -2.618 1020 HA ALA 142 HA ALA 142 108.305 -5.968 -2.368 1021 HB1 ALA 142 1HB ALA 142 110.086 -5.209 -4.671 1022 HB2 ALA 142 2HB ALA 142 108.357 -4.861 -4.721 1023 HB3 ALA 142 3HB ALA 142 108.916 -6.525 -4.562 1024 H GLY 143 H GLY 143 109.548 -7.367 -1.252 1025 HA2 GLY 143 1HA GLY 143 112.473 -6.883 -1.158 1026 HA3 GLY 143 2HA GLY 143 111.548 -7.132 0.317 1027 H VAL 144 H VAL 144 113.760 -8.680 -0.686 1028 HA VAL 144 HA VAL 144 112.459 -11.325 -0.858 1029 HB VAL 144 HB VAL 144 113.311 -10.702 -3.084 1030 HG11 VAL 144 1HG1 VAL 144 116.006 -10.489 -1.711 1031 HG12 VAL 144 2HG1 VAL 144 115.059 -9.123 -2.297 1032 HG13 VAL 144 3HG1 VAL 144 115.698 -10.306 -3.438 1033 HG21 VAL 144 3HG2 VAL 144 113.593 -13.072 -1.957 1034 HG22 VAL 144 1HG2 VAL 144 115.310 -12.680 -2.031 1035 HG23 VAL 144 2HG2 VAL 144 114.353 -12.738 -3.512 1036 H GLY 145 H GLY 145 113.435 -12.927 0.414 1037 HA2 GLY 145 1HA GLY 145 115.921 -12.324 1.802 1038 HA3 GLY 145 2HA GLY 145 114.484 -12.312 2.811 1039 H TYR 146 H TYR 146 116.216 -13.977 3.647 1040 HA TYR 146 HA TYR 146 115.274 -16.650 2.831 1041 HB2 TYR 146 1HB TYR 146 117.482 -17.560 3.097 1042 HB3 TYR 146 2HB TYR 146 117.567 -16.229 1.963 1043 HD1 TYR 146 HD1 TYR 146 118.623 -14.079 2.631 1044 HD2 TYR 146 HD2 TYR 146 118.608 -17.510 5.218 1045 HE1 TYR 146 HE1 TYR 146 120.412 -13.052 4.007 1046 HE2 TYR 146 HE2 TYR 146 120.398 -16.482 6.591 1047 HH TYR 146 HH TYR 146 121.321 -13.193 6.243 1048 H ARG 147 H ARG 147 115.666 -18.284 4.580 1049 HA ARG 147 HA ARG 147 115.298 -17.053 7.252 1050 HB2 ARG 147 1HB ARG 147 114.076 -19.575 6.104 1051 HB3 ARG 147 2HB ARG 147 113.902 -19.043 7.777 1052 HG2 ARG 147 1HG ARG 147 112.911 -16.905 6.948 1053 HG3 ARG 147 2HG ARG 147 112.977 -17.548 5.308 1054 HD2 ARG 147 1HD ARG 147 111.441 -18.738 7.635 1055 HD3 ARG 147 2HD ARG 147 110.745 -17.898 6.254 1056 HE ARG 147 HE ARG 147 112.068 -19.860 5.021 1057 HH11 ARG 147 1HH1 ARG 147 110.003 -20.033 7.854 1058 HH12 ARG 147 2HH1 ARG 147 109.523 -21.664 7.527 1059 HH21 ARG 147 1HH2 ARG 147 111.414 -21.959 4.652 1060 HH22 ARG 147 2HH2 ARG 147 110.313 -22.741 5.737 1061 H PHE 148 H PHE 148 116.231 -18.121 9.041 1062 HA PHE 148 HA PHE 148 117.933 -19.211 10.128 1063 HB2 PHE 148 1HB PHE 148 116.585 -21.170 9.426 1064 HB3 PHE 148 2HB PHE 148 117.522 -21.258 7.946 1065 HD1 PHE 148 HD1 PHE 148 119.837 -22.048 7.966 1066 HD2 PHE 148 HD2 PHE 148 117.525 -21.818 11.578 1067 HE1 PHE 148 HE1 PHE 148 121.510 -23.463 9.126 1068 HE2 PHE 148 HE2 PHE 148 119.199 -23.234 12.740 1069 HZ PHE 148 HZ PHE 148 121.193 -24.056 11.513 Start of MODEL 3 1 H1 ALA 1 3H ALA 1 114.897 -18.221 17.253 2 H2 ALA 1 2H ALA 1 116.421 -17.723 17.814 3 H3 ALA 1 HT3 ALA 1 115.438 -18.716 18.781 4 HA ALA 1 HA ALA 1 117.350 -19.838 17.591 5 HB1 ALA 1 2HB ALA 1 114.484 -20.764 17.242 6 HB2 ALA 1 3HB ALA 1 115.555 -21.127 18.597 7 HB3 ALA 1 1HB ALA 1 115.893 -21.797 17.000 8 H THR 2 H THR 2 114.511 -18.959 15.625 9 HA THR 2 HA THR 2 116.224 -19.094 13.206 10 HB THR 2 HB THR 2 113.254 -19.661 13.363 11 HG1 THR 2 HG1 THR 2 114.001 -21.482 14.114 12 HG21 THR 2 3HG2 THR 2 113.600 -20.476 11.057 13 HG22 THR 2 1HG2 THR 2 115.295 -19.997 11.146 14 HG23 THR 2 2HG2 THR 2 114.029 -18.772 11.203 15 H SER 3 H SER 3 116.054 -17.431 11.745 16 HA SER 3 HA SER 3 114.060 -15.344 12.113 17 HB2 SER 3 1HB SER 3 115.635 -13.558 12.489 18 HB3 SER 3 2HB SER 3 115.924 -14.791 13.712 19 HG SER 3 HG SER 3 117.683 -13.796 12.119 20 H THR 4 H THR 4 114.277 -13.655 10.378 21 HA THR 4 HA THR 4 115.741 -14.633 8.012 22 HB THR 4 HB THR 4 113.434 -15.462 7.837 23 HG1 THR 4 HG1 THR 4 113.911 -15.080 5.843 24 HG21 THR 4 3HG2 THR 4 112.736 -12.531 8.114 25 HG22 THR 4 1HG2 THR 4 112.232 -13.854 9.164 26 HG23 THR 4 2HG2 THR 4 111.612 -13.750 7.516 27 H VAL 5 H VAL 5 116.138 -13.048 6.412 28 HA VAL 5 HA VAL 5 115.788 -10.245 7.303 29 HB VAL 5 HB VAL 5 118.086 -10.986 7.803 30 HG11 VAL 5 1HG1 VAL 5 118.140 -12.707 5.944 31 HG12 VAL 5 2HG1 VAL 5 119.592 -11.715 6.085 32 HG13 VAL 5 3HG1 VAL 5 118.412 -11.375 4.821 33 HG21 VAL 5 3HG2 VAL 5 118.129 -9.156 5.396 34 HG22 VAL 5 1HG2 VAL 5 119.195 -9.127 6.799 35 HG23 VAL 5 2HG2 VAL 5 117.508 -8.639 6.963 36 H THR 6 H THR 6 115.071 -8.882 5.774 37 HA THR 6 HA THR 6 115.060 -9.817 2.962 38 HB THR 6 HB THR 6 112.792 -8.376 4.354 39 HG1 THR 6 HG1 THR 6 112.962 -11.069 3.492 40 HG21 THR 6 3HG2 THR 6 112.946 -9.722 1.642 41 HG22 THR 6 1HG2 THR 6 113.060 -7.981 1.901 42 HG23 THR 6 2HG2 THR 6 111.571 -8.836 2.301 43 H GLY 7 H GLY 7 115.563 -8.316 1.452 44 HA2 GLY 7 1HA GLY 7 115.672 -5.469 2.287 45 HA3 GLY 7 2HA GLY 7 116.917 -6.191 1.262 46 H GLY 8 H GLY 8 114.804 -4.016 0.768 47 HA2 GLY 8 1HA GLY 8 113.855 -5.101 -1.780 48 HA3 GLY 8 2HA GLY 8 112.620 -4.638 -0.620 49 H TYR 9 H TYR 9 112.429 -3.430 -2.886 50 HA TYR 9 HA TYR 9 113.668 -0.755 -2.574 51 HB2 TYR 9 1HB TYR 9 112.734 -2.121 -5.106 52 HB3 TYR 9 2HB TYR 9 113.394 -0.499 -5.002 53 HD1 TYR 9 HD1 TYR 9 114.146 -4.094 -4.896 54 HD2 TYR 9 HD2 TYR 9 115.788 -0.134 -4.642 55 HE1 TYR 9 HE1 TYR 9 116.427 -5.021 -5.190 56 HE2 TYR 9 HE2 TYR 9 118.068 -1.061 -4.936 57 HH TYR 9 HH TYR 9 118.606 -4.574 -5.188 58 H ALA 10 H ALA 10 112.315 0.936 -2.457 59 HA ALA 10 HA ALA 10 109.415 0.422 -2.747 60 HB1 ALA 10 1HB ALA 10 110.552 1.008 -0.429 61 HB2 ALA 10 2HB ALA 10 108.998 1.707 -0.875 62 HB3 ALA 10 3HB ALA 10 110.474 2.652 -1.062 63 H GLN 11 H GLN 11 108.257 1.757 -4.038 64 HA GLN 11 HA GLN 11 109.568 4.239 -5.011 65 HB2 GLN 11 1HB GLN 11 107.726 2.428 -6.597 66 HB3 GLN 11 2HB GLN 11 108.486 3.910 -7.173 67 HG2 GLN 11 1HG GLN 11 109.942 1.400 -6.292 68 HG3 GLN 11 2HG GLN 11 109.727 1.937 -7.955 69 HE21 GLN 11 1HE2 GLN 11 112.120 1.753 -5.806 70 HE22 GLN 11 2HE2 GLN 11 112.957 3.197 -6.118 71 H SER 12 H SER 12 108.361 6.060 -4.767 72 HA SER 12 HA SER 12 105.570 5.701 -3.815 73 HB2 SER 12 1HB SER 12 105.863 7.639 -2.431 74 HB3 SER 12 2HB SER 12 107.235 6.575 -2.134 75 HG SER 12 HG SER 12 108.273 7.882 -3.874 76 H ASP 13 H ASP 13 103.994 6.993 -4.636 77 HA ASP 13 HA ASP 13 104.488 7.947 -7.313 78 HB2 ASP 13 1HB ASP 13 102.449 6.673 -6.689 79 HB3 ASP 13 2HB ASP 13 101.942 8.026 -5.685 80 H ALA 14 H ALA 14 104.874 9.944 -7.931 81 HA ALA 14 HA ALA 14 104.576 12.133 -5.983 82 HB1 ALA 14 1HB ALA 14 106.792 12.126 -6.732 83 HB2 ALA 14 2HB ALA 14 106.032 13.335 -7.767 84 HB3 ALA 14 3HB ALA 14 106.332 11.711 -8.384 85 H GLN 15 H GLN 15 103.408 13.952 -6.447 86 HA GLN 15 HA GLN 15 101.482 13.741 -8.637 87 HB2 GLN 15 1HB GLN 15 100.773 14.373 -6.312 88 HB3 GLN 15 2HB GLN 15 101.707 15.860 -6.483 89 HG2 GLN 15 1HG GLN 15 100.354 16.528 -8.407 90 HG3 GLN 15 2HG GLN 15 99.459 15.014 -8.330 91 HE21 GLN 15 1HE2 GLN 15 97.923 17.274 -8.176 92 HE22 GLN 15 2HE2 GLN 15 97.387 17.542 -6.587 93 H GLY 16 H GLY 16 101.163 15.496 -10.150 94 HA2 GLY 16 1HA GLY 16 103.475 16.280 -11.464 95 HA3 GLY 16 2HA GLY 16 101.908 17.050 -11.680 96 H GLN 17 H GLN 17 105.025 17.408 -10.660 97 HA GLN 17 HA GLN 17 105.385 20.010 -10.412 98 HB2 GLN 17 1HB GLN 17 105.281 20.633 -8.029 99 HB3 GLN 17 2HB GLN 17 103.682 20.336 -8.678 100 HG2 GLN 17 1HG GLN 17 103.907 17.960 -7.762 101 HG3 GLN 17 2HG GLN 17 105.343 18.525 -6.909 102 HE21 GLN 17 1HE2 GLN 17 104.594 18.623 -4.754 103 HE22 GLN 17 2HE2 GLN 17 103.246 19.531 -4.265 104 H MET 18 H MET 18 105.891 17.106 -8.448 105 HA MET 18 HA MET 18 108.807 17.501 -8.766 106 HB2 MET 18 1HB MET 18 107.335 16.434 -6.346 107 HB3 MET 18 2HB MET 18 109.083 16.377 -6.559 108 HG2 MET 18 1HG MET 18 109.063 18.876 -6.841 109 HG3 MET 18 2HG MET 18 107.353 18.860 -6.410 110 HE1 MET 18 3HE MET 18 110.894 18.313 -5.582 111 HE2 MET 18 1HE MET 18 110.486 16.727 -4.914 112 HE3 MET 18 2HE MET 18 111.019 18.025 -3.847 113 H ASN 19 H ASN 19 109.997 15.372 -8.448 114 HA ASN 19 HA ASN 19 108.667 13.389 -10.138 115 HB2 ASN 19 1HB ASN 19 111.536 13.582 -9.197 116 HB3 ASN 19 2HB ASN 19 110.915 12.407 -10.354 117 HD21 ASN 19 1HD2 ASN 19 109.237 14.015 -11.941 118 HD22 ASN 19 2HD2 ASN 19 110.168 15.200 -12.723 119 H LYS 20 H LYS 20 108.930 11.080 -9.642 120 HA LYS 20 HA LYS 20 107.897 10.384 -7.132 121 HB2 LYS 20 1HB LYS 20 109.425 8.636 -9.076 122 HB3 LYS 20 2HB LYS 20 108.374 8.065 -7.778 123 HG2 LYS 20 1HG LYS 20 106.505 9.402 -8.846 124 HG3 LYS 20 2HG LYS 20 107.574 9.657 -10.225 125 HD2 LYS 20 1HD LYS 20 106.781 6.937 -9.144 126 HD3 LYS 20 2HD LYS 20 106.045 7.712 -10.547 127 HE2 LYS 20 1HE LYS 20 107.664 6.400 -11.579 128 HE3 LYS 20 2HE LYS 20 108.549 7.911 -11.367 129 HZ1 LYS 20 3HZ LYS 20 109.109 5.373 -10.279 130 HZ2 LYS 20 1HZ LYS 20 108.816 6.462 -9.010 131 HZ3 LYS 20 2HZ LYS 20 110.017 6.806 -10.160 132 H MET 21 H MET 21 109.030 8.701 -5.666 133 HA MET 21 HA MET 21 111.850 9.527 -5.209 134 HB2 MET 21 1HB MET 21 109.692 9.228 -3.106 135 HB3 MET 21 2HB MET 21 111.399 9.529 -2.783 136 HG2 MET 21 1HG MET 21 111.227 11.610 -4.185 137 HG3 MET 21 2HG MET 21 109.488 11.340 -4.282 138 HE1 MET 21 3HE MET 21 112.316 12.888 -1.542 139 HE2 MET 21 1HE MET 21 112.445 11.254 -2.200 140 HE3 MET 21 2HE MET 21 111.933 11.498 -0.532 141 H GLY 22 H GLY 22 113.078 7.968 -3.858 142 HA2 GLY 22 1HA GLY 22 112.039 5.205 -4.189 143 HA3 GLY 22 2HA GLY 22 113.681 5.645 -4.656 144 H GLY 23 H GLY 23 112.791 3.697 -2.648 145 HA2 GLY 23 1HA GLY 23 114.331 4.757 -0.385 146 HA3 GLY 23 2HA GLY 23 112.723 4.121 -0.072 147 H PHE 24 H PHE 24 115.506 3.259 0.728 148 HA PHE 24 HA PHE 24 115.399 0.467 -0.263 149 HB2 PHE 24 1HB PHE 24 117.623 1.956 1.144 150 HB3 PHE 24 2HB PHE 24 117.686 0.272 0.660 151 HD1 PHE 24 HD1 PHE 24 117.768 -0.334 -1.751 152 HD2 PHE 24 HD2 PHE 24 117.939 3.747 -0.422 153 HE1 PHE 24 HE1 PHE 24 118.620 0.355 -3.977 154 HE2 PHE 24 HE2 PHE 24 118.792 4.435 -2.647 155 HZ PHE 24 HZ PHE 24 119.133 2.740 -4.424 156 H ASN 25 H ASN 25 114.892 -1.159 1.176 157 HA ASN 25 HA ASN 25 114.493 -0.342 4.005 158 HB2 ASN 25 1HB ASN 25 112.687 -2.112 2.347 159 HB3 ASN 25 2HB ASN 25 112.442 -1.658 4.029 160 HD21 ASN 25 1HD2 ASN 25 110.495 -1.037 2.038 161 HD22 ASN 25 2HD2 ASN 25 110.449 0.648 1.836 162 H LEU 26 H LEU 26 115.256 -1.687 5.511 163 HA LEU 26 HA LEU 26 115.951 -4.464 4.728 164 HB2 LEU 26 1HB LEU 26 117.347 -2.737 6.793 165 HB3 LEU 26 2HB LEU 26 117.781 -4.384 6.345 166 HG LEU 26 HG LEU 26 117.791 -2.021 4.445 167 HD11 LEU 26 1HD1 LEU 26 120.316 -2.472 4.557 168 HD12 LEU 26 2HD1 LEU 26 119.973 -3.409 6.010 169 HD13 LEU 26 3HD1 LEU 26 119.596 -1.687 5.963 170 HD21 LEU 26 3HD2 LEU 26 118.568 -4.936 4.187 171 HD22 LEU 26 1HD2 LEU 26 119.154 -3.703 3.070 172 HD23 LEU 26 2HD2 LEU 26 117.425 -4.028 3.197 173 H LYS 27 H LYS 27 115.286 -6.090 6.165 174 HA LYS 27 HA LYS 27 113.680 -5.206 8.481 175 HB2 LYS 27 1HB LYS 27 112.765 -7.088 6.295 176 HB3 LYS 27 2HB LYS 27 111.899 -6.792 7.802 177 HG2 LYS 27 1HG LYS 27 111.800 -4.369 7.228 178 HG3 LYS 27 2HG LYS 27 112.552 -4.736 5.675 179 HD2 LYS 27 1HD LYS 27 110.668 -6.300 5.179 180 HD3 LYS 27 2HD LYS 27 109.893 -5.790 6.679 181 HE2 LYS 27 1HE LYS 27 110.233 -3.372 5.694 182 HE3 LYS 27 2HE LYS 27 110.343 -4.227 4.155 183 HZ1 LYS 27 3HZ LYS 27 108.116 -4.567 6.088 184 HZ2 LYS 27 1HZ LYS 27 108.208 -5.191 4.512 185 HZ3 LYS 27 2HZ LYS 27 108.064 -3.515 4.754 186 H TYR 28 H TYR 28 113.701 -6.536 10.207 187 HA TYR 28 HA TYR 28 114.953 -9.208 9.916 188 HB2 TYR 28 1HB TYR 28 115.119 -7.349 12.294 189 HB3 TYR 28 2HB TYR 28 115.819 -8.954 12.190 190 HD1 TYR 28 HD1 TYR 28 117.691 -9.377 10.544 191 HD2 TYR 28 HD2 TYR 28 116.225 -5.437 11.426 192 HE1 TYR 28 HE1 TYR 28 119.761 -8.394 9.598 193 HE2 TYR 28 HE2 TYR 28 118.295 -4.455 10.478 194 HH TYR 28 HH TYR 28 120.856 -5.506 10.180 195 H ARG 29 H ARG 29 113.828 -10.898 10.811 196 HA ARG 29 HA ARG 29 111.454 -10.268 12.446 197 HB2 ARG 29 1HB ARG 29 110.764 -10.508 10.065 198 HB3 ARG 29 2HB ARG 29 111.422 -12.144 10.074 199 HG2 ARG 29 1HG ARG 29 109.902 -12.700 11.977 200 HG3 ARG 29 2HG ARG 29 109.181 -11.099 11.827 201 HD2 ARG 29 1HD ARG 29 109.251 -13.208 9.649 202 HD3 ARG 29 2HD ARG 29 107.850 -12.801 10.633 203 HE ARG 29 HE ARG 29 109.052 -10.599 9.145 204 HH11 ARG 29 1HH1 ARG 29 106.511 -13.020 9.239 205 HH12 ARG 29 2HH1 ARG 29 105.547 -12.196 8.061 206 HH21 ARG 29 1HH2 ARG 29 107.768 -9.588 7.630 207 HH22 ARG 29 2HH2 ARG 29 106.253 -10.280 7.159 208 H TYR 30 H TYR 30 110.910 -11.801 13.960 209 HA TYR 30 HA TYR 30 112.792 -14.060 14.255 210 HB2 TYR 30 1HB TYR 30 110.935 -12.762 16.257 211 HB3 TYR 30 2HB TYR 30 111.982 -14.131 16.591 212 HD1 TYR 30 HD1 TYR 30 114.466 -13.834 16.563 213 HD2 TYR 30 HD2 TYR 30 111.757 -10.520 16.210 214 HE1 TYR 30 HE1 TYR 30 116.306 -12.271 17.132 215 HE2 TYR 30 HE2 TYR 30 113.596 -8.957 16.782 216 HH TYR 30 HH TYR 30 116.575 -10.011 18.056 217 H GLU 31 H GLU 31 112.022 -16.164 14.462 218 HA GLU 31 HA GLU 31 109.324 -16.555 13.394 219 HB2 GLU 31 1HB GLU 31 111.292 -17.750 12.402 220 HB3 GLU 31 2HB GLU 31 111.471 -18.621 13.926 221 HG2 GLU 31 1HG GLU 31 109.134 -19.445 13.695 222 HG3 GLU 31 2HG GLU 31 109.028 -18.644 12.134 223 H GLU 32 H GLU 32 107.669 -17.104 14.609 224 HA GLU 32 HA GLU 32 108.070 -18.411 17.191 225 HB2 GLU 32 1HB GLU 32 106.722 -15.720 16.892 226 HB3 GLU 32 2HB GLU 32 106.708 -16.702 18.358 227 HG2 GLU 32 1HG GLU 32 109.203 -16.664 18.360 228 HG3 GLU 32 2HG GLU 32 109.159 -15.582 16.977 229 H ASP 33 H ASP 33 106.145 -19.268 18.105 230 HA ASP 33 HA ASP 33 104.444 -20.396 16.089 231 HB2 ASP 33 1HB ASP 33 104.383 -20.621 19.106 232 HB3 ASP 33 2HB ASP 33 103.396 -21.578 18.006 233 H ASN 34 H ASN 34 101.989 -20.612 16.972 234 HA ASN 34 HA ASN 34 100.779 -18.254 16.141 235 HB2 ASN 34 1HB ASN 34 99.779 -20.556 16.151 236 HB3 ASN 34 2HB ASN 34 99.483 -20.352 17.879 237 HD21 ASN 34 1HD2 ASN 34 97.433 -19.559 18.334 238 HD22 ASN 34 2HD2 ASN 34 96.518 -18.570 17.303 239 H SER 35 H SER 35 101.429 -19.296 19.515 240 HA SER 35 HA SER 35 99.575 -17.307 20.520 241 HB2 SER 35 1HB SER 35 101.310 -19.396 21.784 242 HB3 SER 35 2HB SER 35 100.555 -18.147 22.767 243 HG SER 35 HG SER 35 98.644 -18.998 22.378 244 HA PRO 36 HA PRO 36 103.207 -14.638 21.188 245 HB2 PRO 36 1HB PRO 36 105.765 -15.364 20.645 246 HB3 PRO 36 2HB PRO 36 104.983 -15.726 22.194 247 HG2 PRO 36 1HG PRO 36 105.666 -17.522 19.982 248 HG3 PRO 36 2HG PRO 36 105.406 -17.879 21.696 249 HD2 PRO 36 1HD PRO 36 103.559 -18.269 19.546 250 HD3 PRO 36 2HD PRO 36 103.291 -18.564 21.270 251 H LEU 37 H LEU 37 103.200 -13.072 19.677 252 HA LEU 37 HA LEU 37 103.064 -13.743 16.881 253 HB2 LEU 37 1HB LEU 37 103.138 -11.026 18.215 254 HB3 LEU 37 2HB LEU 37 102.675 -11.353 16.546 255 HG LEU 37 HG LEU 37 101.255 -12.474 18.982 256 HD11 LEU 37 1HD1 LEU 37 100.666 -10.132 17.157 257 HD12 LEU 37 2HD1 LEU 37 100.791 -10.134 18.917 258 HD13 LEU 37 3HD1 LEU 37 99.415 -10.908 18.130 259 HD21 LEU 37 3HD2 LEU 37 99.501 -12.985 17.202 260 HD22 LEU 37 1HD2 LEU 37 100.970 -13.957 17.111 261 HD23 LEU 37 2HD2 LEU 37 100.733 -12.609 15.999 262 H GLY 38 H GLY 38 104.390 -12.725 15.218 263 HA2 GLY 38 1HA GLY 38 107.210 -12.994 15.909 264 HA3 GLY 38 2HA GLY 38 106.540 -12.825 14.289 265 H VAL 39 H VAL 39 108.748 -11.323 15.793 266 HA VAL 39 HA VAL 39 107.548 -8.618 15.857 267 HB VAL 39 HB VAL 39 110.227 -9.549 16.925 268 HG11 VAL 39 1HG1 VAL 39 110.258 -7.372 18.044 269 HG12 VAL 39 2HG1 VAL 39 108.686 -6.971 17.353 270 HG13 VAL 39 3HG1 VAL 39 110.092 -7.141 16.303 271 HG21 VAL 39 3HG2 VAL 39 108.320 -10.547 18.153 272 HG22 VAL 39 1HG2 VAL 39 107.631 -8.940 18.376 273 HG23 VAL 39 2HG2 VAL 39 109.165 -9.356 19.140 274 H ILE 40 H ILE 40 107.925 -7.283 14.203 275 HA ILE 40 HA ILE 40 110.256 -7.833 12.448 276 HB ILE 40 HB ILE 40 107.629 -6.518 11.692 277 HG12 ILE 40 1HG1 ILE 40 108.664 -9.267 10.942 278 HG13 ILE 40 2HG1 ILE 40 107.453 -8.983 12.194 279 HG21 ILE 40 1HG2 ILE 40 109.906 -7.516 9.957 280 HG22 ILE 40 2HG2 ILE 40 109.687 -5.827 10.418 281 HG23 ILE 40 3HG2 ILE 40 108.475 -6.634 9.424 282 HD11 ILE 40 3HD1 ILE 40 106.061 -7.789 10.467 283 HD12 ILE 40 1HD1 ILE 40 106.282 -9.508 10.142 284 HD13 ILE 40 2HD1 ILE 40 107.221 -8.316 9.248 285 H GLY 41 H GLY 41 111.680 -6.232 12.191 286 HA2 GLY 41 1HA GLY 41 110.874 -3.469 12.903 287 HA3 GLY 41 2HA GLY 41 112.442 -4.128 13.379 288 H SER 42 H SER 42 111.392 -1.955 11.359 289 HA SER 42 HA SER 42 113.112 -2.835 9.114 290 HB2 SER 42 1HB SER 42 110.683 -3.134 8.564 291 HB3 SER 42 2HB SER 42 110.471 -1.401 8.791 292 HG SER 42 HG SER 42 110.911 -1.629 6.664 293 H PHE 43 H PHE 43 114.387 -1.316 8.229 294 HA PHE 43 HA PHE 43 114.104 1.476 9.194 295 HB2 PHE 43 1HB PHE 43 116.629 -0.030 8.484 296 HB3 PHE 43 2HB PHE 43 116.549 1.667 8.920 297 HD1 PHE 43 HD1 PHE 43 115.983 2.335 11.247 298 HD2 PHE 43 HD2 PHE 43 116.519 -1.776 10.129 299 HE1 PHE 43 HE1 PHE 43 116.212 1.715 13.638 300 HE2 PHE 43 HE2 PHE 43 116.749 -2.398 12.519 301 HZ PHE 43 HZ PHE 43 116.595 -0.652 14.273 302 H THR 44 H THR 44 113.926 3.000 7.621 303 HA THR 44 HA THR 44 114.507 2.177 4.829 304 HB THR 44 HB THR 44 112.511 3.356 4.093 305 HG1 THR 44 HG1 THR 44 111.551 4.698 5.367 306 HG21 THR 44 3HG2 THR 44 111.565 1.656 6.386 307 HG22 THR 44 1HG2 THR 44 112.457 0.926 5.048 308 HG23 THR 44 2HG2 THR 44 110.930 1.757 4.743 309 H TYR 45 H TYR 45 115.462 3.652 3.547 310 HA TYR 45 HA TYR 45 115.811 6.415 4.582 311 HB2 TYR 45 1HB TYR 45 117.780 4.868 2.889 312 HB3 TYR 45 2HB TYR 45 118.004 6.470 3.561 313 HD1 TYR 45 HD1 TYR 45 117.954 2.863 4.259 314 HD2 TYR 45 HD2 TYR 45 118.521 6.779 5.935 315 HE1 TYR 45 HE1 TYR 45 118.970 1.851 6.282 316 HE2 TYR 45 HE2 TYR 45 119.536 5.764 7.958 317 HH TYR 45 HH TYR 45 120.829 3.341 8.347 318 H THR 46 H THR 46 115.325 8.047 3.110 319 HA THR 46 HA THR 46 114.277 7.111 0.498 320 HB THR 46 HB THR 46 113.546 9.649 1.966 321 HG1 THR 46 HG1 THR 46 111.681 8.471 2.552 322 HG21 THR 46 3HG2 THR 46 112.288 8.126 -0.334 323 HG22 THR 46 1HG2 THR 46 113.127 9.672 -0.447 324 HG23 THR 46 2HG2 THR 46 111.600 9.560 0.428 325 H GLU 47 H GLU 47 114.786 8.216 -1.385 326 HA GLU 47 HA GLU 47 116.710 10.428 -1.190 327 HB2 GLU 47 1HB GLU 47 117.990 8.281 -1.374 328 HB3 GLU 47 2HB GLU 47 117.193 7.993 -2.921 329 HG2 GLU 47 1HG GLU 47 118.078 10.170 -3.747 330 HG3 GLU 47 2HG GLU 47 118.935 10.374 -2.227 331 H LYS 48 H LYS 48 116.644 11.842 -2.899 332 HA LYS 48 HA LYS 48 114.897 11.189 -5.178 333 HB2 LYS 48 1HB LYS 48 113.813 13.344 -5.072 334 HB3 LYS 48 2HB LYS 48 113.620 12.539 -3.519 335 HG2 LYS 48 1HG LYS 48 115.571 13.851 -2.651 336 HG3 LYS 48 2HG LYS 48 115.616 14.726 -4.184 337 HD2 LYS 48 1HD LYS 48 113.170 15.318 -3.773 338 HD3 LYS 48 2HD LYS 48 113.394 14.706 -2.133 339 HE2 LYS 48 1HE LYS 48 114.901 16.398 -1.563 340 HE3 LYS 48 2HE LYS 48 115.328 16.720 -3.244 341 HZ1 LYS 48 3HZ LYS 48 113.916 18.457 -2.341 342 HZ2 LYS 48 1HZ LYS 48 112.711 17.321 -1.977 343 HZ3 LYS 48 2HZ LYS 48 113.122 17.632 -3.596 344 H SER 49 H SER 49 115.480 12.138 -7.137 345 HA SER 49 HA SER 49 118.191 13.336 -7.152 346 HB2 SER 49 1HB SER 49 118.444 12.396 -9.381 347 HB3 SER 49 2HB SER 49 117.977 11.123 -8.259 348 HG SER 49 HG SER 49 116.639 10.924 -9.995 349 H ARG 50 H ARG 50 118.569 15.189 -8.265 350 HA ARG 50 HA ARG 50 116.376 16.374 -9.832 351 HB2 ARG 50 1HB ARG 50 116.275 17.280 -7.508 352 HB3 ARG 50 2HB ARG 50 117.920 17.884 -7.709 353 HG2 ARG 50 1HG ARG 50 117.177 19.217 -9.663 354 HG3 ARG 50 2HG ARG 50 115.527 18.650 -9.407 355 HD2 ARG 50 1HD ARG 50 115.592 19.626 -7.109 356 HD3 ARG 50 2HD ARG 50 117.186 20.284 -7.470 357 HE ARG 50 HE ARG 50 116.183 21.893 -8.817 358 HH11 ARG 50 1HH1 ARG 50 113.782 19.483 -7.948 359 HH12 ARG 50 2HH1 ARG 50 112.466 20.426 -8.566 360 HH21 ARG 50 1HH2 ARG 50 114.450 23.060 -9.596 361 HH22 ARG 50 2HH2 ARG 50 112.841 22.426 -9.489 362 H THR 51 H THR 51 117.046 17.745 -11.484 363 HA THR 51 HA THR 51 119.592 17.289 -12.606 364 HB THR 51 HB THR 51 117.723 19.604 -13.168 365 HG1 THR 51 HG1 THR 51 116.637 18.253 -14.432 366 HG21 THR 51 3HG2 THR 51 119.919 18.260 -14.764 367 HG22 THR 51 1HG2 THR 51 119.908 19.919 -14.168 368 HG23 THR 51 2HG2 THR 51 118.784 19.431 -15.437 369 H ALA 52 H ALA 52 121.423 18.627 -12.758 370 HA ALA 52 HA ALA 52 122.193 19.888 -10.379 371 HB1 ALA 52 1HB ALA 52 123.687 18.961 -12.233 372 HB2 ALA 52 2HB ALA 52 124.199 20.481 -11.500 373 HB3 ALA 52 3HB ALA 52 123.408 20.485 -13.076 374 H SER 53 H SER 53 121.938 21.876 -9.597 375 HA SER 53 HA SER 53 121.524 24.192 -11.242 376 HB2 SER 53 1HB SER 53 119.264 23.112 -11.315 377 HB3 SER 53 2HB SER 53 119.187 23.256 -9.562 378 HG SER 53 HG SER 53 118.503 25.052 -11.319 379 H SER 54 H SER 54 120.600 26.023 -9.623 380 HA SER 54 HA SER 54 122.554 26.429 -7.647 381 HB2 SER 54 1HB SER 54 121.239 28.346 -6.973 382 HB3 SER 54 2HB SER 54 121.201 28.219 -8.728 383 HG SER 54 HG SER 54 119.126 28.551 -7.584 384 H GLY 55 H GLY 55 119.442 24.811 -7.471 385 HA2 GLY 55 1HA GLY 55 119.164 24.903 -4.634 386 HA3 GLY 55 2HA GLY 55 118.303 23.830 -5.726 387 H ASP 56 H ASP 56 121.195 22.980 -6.656 388 HA ASP 56 HA ASP 56 122.654 21.277 -6.192 389 HB2 ASP 56 1HB ASP 56 122.066 21.927 -3.294 390 HB3 ASP 56 2HB ASP 56 123.455 21.038 -3.913 391 H TYR 57 H TYR 57 122.781 19.240 -4.493 392 HA TYR 57 HA TYR 57 120.844 17.455 -5.376 393 HB2 TYR 57 1HB TYR 57 121.728 15.910 -3.753 394 HB3 TYR 57 2HB TYR 57 123.043 16.822 -4.469 395 HD1 TYR 57 HD2 TYR 57 124.310 18.451 -3.153 396 HD2 TYR 57 HD1 TYR 57 121.085 16.202 -1.421 397 HE1 TYR 57 HE2 TYR 57 125.072 19.106 -0.885 398 HE2 TYR 57 HE1 TYR 57 121.848 16.858 0.847 399 HH TYR 57 HH TYR 57 124.662 19.004 1.291 400 H ASN 58 H ASN 58 119.723 16.027 -3.461 401 HA ASN 58 HA ASN 58 117.349 17.324 -2.876 402 HB2 ASN 58 1HB ASN 58 116.898 15.468 -1.326 403 HB3 ASN 58 2HB ASN 58 117.592 14.890 -2.840 404 HD21 ASN 58 1HD2 ASN 58 119.502 13.665 -2.695 405 HD22 ASN 58 2HD2 ASN 58 120.408 13.482 -1.271 406 H LYS 59 H LYS 59 116.595 18.589 -1.293 407 HA LYS 59 HA LYS 59 118.364 20.068 0.311 408 HB2 LYS 59 1HB LYS 59 115.369 19.708 0.531 409 HB3 LYS 59 2HB LYS 59 116.300 20.930 1.401 410 HG2 LYS 59 1HG LYS 59 117.120 21.810 -0.784 411 HG3 LYS 59 2HG LYS 59 116.076 20.649 -1.609 412 HD2 LYS 59 1HD LYS 59 114.110 21.639 -0.428 413 HD3 LYS 59 2HD LYS 59 115.181 22.863 0.258 414 HE2 LYS 59 1HE LYS 59 114.214 23.865 -1.682 415 HE3 LYS 59 2HE LYS 59 115.857 23.419 -2.141 416 HZ1 LYS 59 3HZ LYS 59 114.750 22.495 -3.863 417 HZ2 LYS 59 1HZ LYS 59 113.312 22.278 -2.990 418 HZ3 LYS 59 2HZ LYS 59 114.604 21.194 -2.781 419 H ASN 60 H ASN 60 116.375 17.230 1.053 420 HA ASN 60 HA ASN 60 117.837 16.912 3.569 421 HB2 ASN 60 1HB ASN 60 115.802 16.691 4.892 422 HB3 ASN 60 2HB ASN 60 115.870 18.281 4.140 423 HD21 ASN 60 1HD2 ASN 60 113.382 17.852 4.757 424 HD22 ASN 60 2HD2 ASN 60 112.440 17.229 3.488 425 H GLN 61 H GLN 61 117.131 14.857 4.696 426 HA GLN 61 HA GLN 61 116.403 12.752 2.741 427 HB2 GLN 61 1HB GLN 61 118.510 12.625 4.917 428 HB3 GLN 61 2HB GLN 61 117.981 11.253 3.940 429 HG2 GLN 61 1HG GLN 61 118.713 12.377 1.900 430 HG3 GLN 61 2HG GLN 61 119.166 13.808 2.822 431 HE21 GLN 61 1HE2 GLN 61 121.075 12.391 1.227 432 HE22 GLN 61 2HE2 GLN 61 122.213 11.678 2.264 433 H TYR 62 H TYR 62 115.407 10.823 3.758 434 HA TYR 62 HA TYR 62 113.996 11.549 6.270 435 HB2 TYR 62 1HB TYR 62 112.968 9.896 3.965 436 HB3 TYR 62 2HB TYR 62 112.099 10.259 5.443 437 HD1 TYR 62 HD1 TYR 62 113.301 11.577 2.230 438 HD2 TYR 62 HD2 TYR 62 111.163 12.484 5.844 439 HE1 TYR 62 HE1 TYR 62 112.420 13.648 1.189 440 HE2 TYR 62 HE2 TYR 62 110.282 14.555 4.803 441 HH TYR 62 HH TYR 62 109.846 15.362 2.404 442 H TYR 63 H TYR 63 114.022 10.136 7.893 443 HA TYR 63 HA TYR 63 115.051 7.401 7.388 444 HB2 TYR 63 1HB TYR 63 115.451 9.084 9.869 445 HB3 TYR 63 2HB TYR 63 116.060 7.461 9.607 446 HD1 TYR 63 HD1 TYR 63 117.868 7.064 7.928 447 HD2 TYR 63 HD2 TYR 63 116.562 11.013 8.995 448 HE1 TYR 63 HE1 TYR 63 119.938 8.013 6.948 449 HE2 TYR 63 HE2 TYR 63 118.632 11.963 8.016 450 HH TYR 63 HH TYR 63 120.363 11.448 6.523 451 H GLY 64 H GLY 64 113.686 5.804 8.037 452 HA2 GLY 64 1HA GLY 64 111.508 6.525 9.924 453 HA3 GLY 64 2HA GLY 64 111.186 5.639 8.438 454 H ILE 65 H ILE 65 111.153 5.121 11.525 455 HA ILE 65 HA ILE 65 112.303 2.392 11.305 456 HB ILE 65 HB ILE 65 112.061 4.070 13.819 457 HG12 ILE 65 1HG1 ILE 65 114.545 3.229 12.294 458 HG13 ILE 65 2HG1 ILE 65 113.833 4.842 12.211 459 HG21 ILE 65 1HG2 ILE 65 111.835 1.610 14.139 460 HG22 ILE 65 2HG2 ILE 65 113.314 2.243 14.862 461 HG23 ILE 65 3HG2 ILE 65 113.382 1.385 13.323 462 HD11 ILE 65 3HD1 ILE 65 114.853 3.488 14.727 463 HD12 ILE 65 1HD1 ILE 65 114.121 5.090 14.654 464 HD13 ILE 65 2HD1 ILE 65 115.665 4.790 13.855 465 H THR 66 H THR 66 110.793 0.840 11.404 466 HA THR 66 HA THR 66 108.191 1.484 12.682 467 HB THR 66 HB THR 66 107.087 0.124 11.000 468 HG1 THR 66 HG1 THR 66 108.734 -1.330 10.586 469 HG21 THR 66 3HG2 THR 66 106.983 2.165 10.013 470 HG22 THR 66 1HG2 THR 66 108.148 1.478 8.885 471 HG23 THR 66 2HG2 THR 66 108.703 2.481 10.222 472 H ALA 67 H ALA 67 107.122 -0.225 13.725 473 HA ALA 67 HA ALA 67 108.461 -2.824 13.864 474 HB1 ALA 67 1HB ALA 67 107.651 -1.274 16.339 475 HB2 ALA 67 2HB ALA 67 109.314 -1.497 15.793 476 HB3 ALA 67 3HB ALA 67 108.358 -2.889 16.301 477 H GLY 68 H GLY 68 106.992 -4.548 14.242 478 HA2 GLY 68 1HA GLY 68 104.271 -4.021 15.037 479 HA3 GLY 68 2HA GLY 68 104.420 -4.257 13.305 480 HA PRO 69 HA PRO 69 104.392 -8.485 15.218 481 HB2 PRO 69 1HB PRO 69 101.802 -9.044 15.742 482 HB3 PRO 69 2HB PRO 69 102.820 -8.150 16.888 483 HG2 PRO 69 1HG PRO 69 100.618 -7.199 15.218 484 HG3 PRO 69 2HG PRO 69 101.315 -6.491 16.682 485 HD2 PRO 69 1HD PRO 69 101.838 -5.771 13.925 486 HD3 PRO 69 2HD PRO 69 102.448 -4.995 15.403 487 H ALA 70 H ALA 70 104.665 -9.902 13.632 488 HA ALA 70 HA ALA 70 102.979 -10.071 11.287 489 HB1 ALA 70 1HB ALA 70 105.574 -10.689 11.723 490 HB2 ALA 70 2HB ALA 70 104.618 -11.393 10.423 491 HB3 ALA 70 3HB ALA 70 104.854 -12.283 11.928 492 H TYR 71 H TYR 71 101.351 -11.536 10.919 493 HA TYR 71 HA TYR 71 100.848 -13.590 12.993 494 HB2 TYR 71 1HB TYR 71 99.054 -11.876 12.749 495 HB3 TYR 71 2HB TYR 71 98.888 -12.327 11.066 496 HD1 TYR 71 HD1 TYR 71 98.409 -13.439 14.559 497 HD2 TYR 71 HD2 TYR 71 97.711 -14.328 10.415 498 HE1 TYR 71 HE1 TYR 71 96.799 -15.212 15.210 499 HE2 TYR 71 HE2 TYR 71 96.102 -16.098 11.065 500 HH TYR 71 HH TYR 71 95.073 -16.514 14.392 501 H ARG 72 H ARG 72 100.800 -15.709 12.301 502 HA ARG 72 HA ARG 72 101.857 -16.065 9.585 503 HB2 ARG 72 1HB ARG 72 103.118 -16.943 11.547 504 HB3 ARG 72 2HB ARG 72 101.775 -18.037 11.875 505 HG2 ARG 72 1HG ARG 72 102.037 -18.982 9.576 506 HG3 ARG 72 2HG ARG 72 103.460 -17.961 9.355 507 HD2 ARG 72 1HD ARG 72 103.120 -20.054 11.523 508 HD3 ARG 72 2HD ARG 72 104.095 -20.238 10.068 509 HE ARG 72 HE ARG 72 104.844 -18.856 12.451 510 HH11 ARG 72 1HH1 ARG 72 105.232 -18.726 8.963 511 HH12 ARG 72 2HH1 ARG 72 106.735 -17.874 9.063 512 HH21 ARG 72 1HH2 ARG 72 106.785 -17.760 12.515 513 HH22 ARG 72 2HH2 ARG 72 107.604 -17.336 11.050 514 H ILE 73 H ILE 73 100.450 -16.532 8.060 515 HA ILE 73 HA ILE 73 98.167 -18.286 8.622 516 HB ILE 73 HB ILE 73 98.902 -16.768 6.103 517 HG12 ILE 73 1HG1 ILE 73 96.734 -16.217 8.153 518 HG13 ILE 73 2HG1 ILE 73 98.291 -15.399 8.144 519 HG21 ILE 73 1HG2 ILE 73 96.516 -18.453 6.897 520 HG22 ILE 73 2HG2 ILE 73 97.541 -18.630 5.476 521 HG23 ILE 73 3HG2 ILE 73 96.435 -17.264 5.598 522 HD11 ILE 73 3HD1 ILE 73 96.979 -15.318 5.513 523 HD12 ILE 73 1HD1 ILE 73 97.656 -14.010 6.483 524 HD13 ILE 73 2HD1 ILE 73 96.016 -14.572 6.787 525 H ASN 74 H ASN 74 98.092 -20.366 7.976 526 HA ASN 74 HA ASN 74 100.517 -21.710 7.491 527 HB2 ASN 74 1HB ASN 74 97.664 -22.655 7.167 528 HB3 ASN 74 2HB ASN 74 99.078 -23.706 7.153 529 HD21 ASN 74 1HD2 ASN 74 96.930 -23.808 9.152 530 HD22 ASN 74 2HD2 ASN 74 97.639 -23.443 10.650 531 H ASP 75 H ASP 75 98.096 -20.484 5.260 532 HA ASP 75 HA ASP 75 99.091 -22.103 3.061 533 HB2 ASP 75 1HB ASP 75 96.669 -21.588 3.358 534 HB3 ASP 75 2HB ASP 75 97.026 -19.896 3.024 535 H TRP 76 H TRP 76 101.056 -20.322 4.165 536 HA TRP 76 HA TRP 76 102.618 -18.765 3.518 537 HB2 TRP 76 1HB TRP 76 101.668 -19.741 0.824 538 HB3 TRP 76 2HB TRP 76 103.098 -18.760 1.070 539 HD1 TRP 76 HD1 TRP 76 105.043 -19.914 2.667 540 HE1 TRP 76 HE1 TRP 76 105.763 -22.385 2.786 541 HE3 TRP 76 HE3 TRP 76 100.933 -22.128 0.600 542 HZ2 TRP 76 HZ2 TRP 76 104.729 -24.965 2.096 543 HZ3 TRP 76 HZ3 TRP 76 100.825 -24.588 0.344 544 HH2 TRP 76 HH2 TRP 76 102.714 -26.010 1.087 545 H ALA 77 H ALA 77 100.186 -17.654 4.190 546 HA ALA 77 HA ALA 77 99.855 -15.421 2.278 547 HB1 ALA 77 1HB ALA 77 97.815 -16.515 2.115 548 HB2 ALA 77 2HB ALA 77 97.490 -15.344 3.392 549 HB3 ALA 77 3HB ALA 77 97.835 -17.024 3.804 550 H SER 78 H SER 78 101.705 -15.434 4.640 551 HA SER 78 HA SER 78 100.196 -14.686 6.972 552 HB2 SER 78 1HB SER 78 103.181 -14.591 6.466 553 HB3 SER 78 2HB SER 78 102.397 -14.421 8.033 554 HG SER 78 HG SER 78 102.806 -16.538 7.944 555 H ILE 79 H ILE 79 100.250 -12.660 8.045 556 HA ILE 79 HA ILE 79 100.811 -10.384 6.239 557 HB ILE 79 HB ILE 79 98.428 -10.976 6.032 558 HG12 ILE 79 1HG1 ILE 79 98.674 -8.480 7.723 559 HG13 ILE 79 2HG1 ILE 79 99.276 -8.561 6.066 560 HG21 ILE 79 1HG2 ILE 79 98.285 -10.424 9.009 561 HG22 ILE 79 2HG2 ILE 79 98.206 -12.028 8.281 562 HG23 ILE 79 3HG2 ILE 79 96.937 -10.848 7.955 563 HD11 ILE 79 3HD1 ILE 79 96.432 -9.272 6.819 564 HD12 ILE 79 1HD1 ILE 79 97.084 -9.018 5.201 565 HD13 ILE 79 2HD1 ILE 79 96.914 -7.656 6.308 566 H TYR 80 H TYR 80 101.759 -8.724 7.214 567 HA TYR 80 HA TYR 80 101.665 -8.565 10.173 568 HB2 TYR 80 1HB TYR 80 103.981 -7.967 10.237 569 HB3 TYR 80 2HB TYR 80 103.829 -9.479 9.367 570 HD1 TYR 80 HD1 TYR 80 104.082 -9.508 6.873 571 HD2 TYR 80 HD2 TYR 80 104.857 -5.995 9.218 572 HE1 TYR 80 HE1 TYR 80 105.336 -8.520 4.975 573 HE2 TYR 80 HE2 TYR 80 106.112 -5.007 7.321 574 HH TYR 80 HH TYR 80 106.441 -6.753 4.226 575 H GLY 81 H GLY 81 101.591 -6.520 11.050 576 HA2 GLY 81 1HA GLY 81 101.436 -4.251 9.130 577 HA3 GLY 81 2HA GLY 81 100.257 -4.443 10.426 578 H VAL 82 H VAL 82 102.450 -2.369 9.794 579 HA VAL 82 HA VAL 82 103.729 -2.405 12.459 580 HB VAL 82 HB VAL 82 105.837 -1.625 11.415 581 HG11 VAL 82 1HG1 VAL 82 106.283 -3.874 10.153 582 HG12 VAL 82 2HG1 VAL 82 104.662 -4.300 10.698 583 HG13 VAL 82 3HG1 VAL 82 105.918 -3.917 11.876 584 HG21 VAL 82 3HG2 VAL 82 104.458 -2.348 8.811 585 HG22 VAL 82 1HG2 VAL 82 106.127 -1.810 8.990 586 HG23 VAL 82 2HG2 VAL 82 104.802 -0.704 9.346 587 H VAL 83 H VAL 83 104.308 -0.385 13.278 588 HA VAL 83 HA VAL 83 103.393 1.987 11.761 589 HB VAL 83 HB VAL 83 103.179 1.598 14.762 590 HG11 VAL 83 1HG1 VAL 83 102.065 3.737 14.754 591 HG12 VAL 83 2HG1 VAL 83 102.065 3.790 12.991 592 HG13 VAL 83 3HG1 VAL 83 103.582 3.932 13.879 593 HG21 VAL 83 3HG2 VAL 83 101.225 1.250 12.509 594 HG22 VAL 83 1HG2 VAL 83 100.642 1.857 14.060 595 HG23 VAL 83 2HG2 VAL 83 101.426 0.280 13.966 596 H GLY 84 H GLY 84 104.833 3.751 11.852 597 HA2 GLY 84 1HA GLY 84 107.201 3.473 13.556 598 HA3 GLY 84 2HA GLY 84 107.455 3.472 11.815 599 H VAL 85 H VAL 85 108.737 5.359 13.048 600 HA VAL 85 HA VAL 85 107.139 7.827 12.627 601 HB VAL 85 HB VAL 85 109.546 7.497 14.439 602 HG11 VAL 85 1HG1 VAL 85 107.644 9.783 13.863 603 HG12 VAL 85 2HG1 VAL 85 109.385 9.747 13.587 604 HG13 VAL 85 3HG1 VAL 85 108.755 9.765 15.234 605 HG21 VAL 85 3HG2 VAL 85 107.491 6.325 15.271 606 HG22 VAL 85 1HG2 VAL 85 106.623 7.857 15.172 607 HG23 VAL 85 2HG2 VAL 85 107.972 7.680 16.292 608 H GLY 86 H GLY 86 107.862 9.153 11.074 609 HA2 GLY 86 1HA GLY 86 110.563 8.627 9.941 610 HA3 GLY 86 2HA GLY 86 109.182 9.189 9.002 611 H TYR 87 H TYR 87 111.997 10.251 9.908 612 HA TYR 87 HA TYR 87 111.073 12.966 10.663 613 HB2 TYR 87 1HB TYR 87 113.664 11.589 11.380 614 HB3 TYR 87 2HB TYR 87 113.269 13.255 11.749 615 HD1 TYR 87 HD1 TYR 87 111.375 13.742 13.353 616 HD2 TYR 87 HD2 TYR 87 112.943 9.789 12.742 617 HE1 TYR 87 HE1 TYR 87 110.357 13.008 15.491 618 HE2 TYR 87 HE2 TYR 87 111.922 9.055 14.880 619 HH TYR 87 HH TYR 87 111.126 9.986 16.950 620 H GLY 88 H GLY 88 111.850 14.652 9.498 621 HA2 GLY 88 1HA GLY 88 113.621 14.043 7.216 622 HA3 GLY 88 2HA GLY 88 112.552 15.440 7.335 623 H LYS 89 H LYS 89 115.654 14.860 7.141 624 HA LYS 89 HA LYS 89 116.425 16.863 9.188 625 HB2 LYS 89 1HB LYS 89 117.178 14.554 9.779 626 HB3 LYS 89 2HB LYS 89 118.104 14.517 8.276 627 HG2 LYS 89 1HG LYS 89 119.332 16.552 9.013 628 HG3 LYS 89 2HG LYS 89 118.456 16.500 10.544 629 HD2 LYS 89 1HD LYS 89 119.354 14.188 10.915 630 HD3 LYS 89 2HD LYS 89 120.339 14.386 9.465 631 HE2 LYS 89 1HE LYS 89 121.634 14.934 11.494 632 HE3 LYS 89 2HE LYS 89 121.434 16.353 10.465 633 HZ1 LYS 89 3HZ LYS 89 119.769 17.204 11.858 634 HZ2 LYS 89 1HZ LYS 89 120.988 16.669 12.911 635 HZ3 LYS 89 2HZ LYS 89 119.586 15.736 12.693 636 H PHE 90 H PHE 90 117.538 18.548 8.474 637 HA PHE 90 HA PHE 90 118.383 18.590 5.654 638 HB2 PHE 90 1HB PHE 90 116.809 20.341 6.458 639 HB3 PHE 90 2HB PHE 90 118.026 20.875 7.600 640 HD1 PHE 90 HD1 PHE 90 117.136 20.628 4.017 641 HD2 PHE 90 HD2 PHE 90 119.900 22.217 6.897 642 HE1 PHE 90 HE1 PHE 90 118.097 22.109 2.276 643 HE2 PHE 90 HE2 PHE 90 120.862 23.700 5.155 644 HZ PHE 90 HZ PHE 90 119.958 23.645 2.846 645 H GLN 91 H GLN 91 120.479 19.199 5.075 646 HA GLN 91 HA GLN 91 122.459 18.777 7.204 647 HB2 GLN 91 1HB GLN 91 122.720 18.764 4.188 648 HB3 GLN 91 2HB GLN 91 124.050 18.478 5.312 649 HG2 GLN 91 1HG GLN 91 122.892 16.536 6.239 650 HG3 GLN 91 2HG GLN 91 121.503 16.841 5.203 651 HE21 GLN 91 1HE2 GLN 91 122.931 14.362 5.096 652 HE22 GLN 91 2HE2 GLN 91 123.707 14.259 3.589 653 H THR 92 H THR 92 123.995 20.251 7.739 654 HA THR 92 HA THR 92 123.352 23.004 7.215 655 HB THR 92 HB THR 92 125.727 21.861 8.701 656 HG1 THR 92 HG1 THR 92 123.057 22.388 9.428 657 HG21 THR 92 3HG2 THR 92 124.429 24.575 8.515 658 HG22 THR 92 1HG2 THR 92 126.131 24.155 8.324 659 HG23 THR 92 2HG2 THR 92 125.387 24.116 9.922 660 H THR 93 H THR 93 124.513 24.518 6.102 661 HA THR 93 HA THR 93 126.168 23.593 3.943 662 HB THR 93 HB THR 93 126.069 26.492 4.658 663 HG1 THR 93 HG1 THR 93 123.971 25.959 5.066 664 HG21 THR 93 3HG2 THR 93 126.171 24.785 2.214 665 HG22 THR 93 1HG2 THR 93 127.035 26.277 2.588 666 HG23 THR 93 2HG2 THR 93 125.348 26.339 2.082 667 H GLU 94 H GLU 94 128.260 25.171 3.617 668 HA GLU 94 HA GLU 94 130.247 24.156 5.242 669 HB2 GLU 94 1HB GLU 94 130.583 25.274 3.035 670 HB3 GLU 94 2HB GLU 94 130.343 26.829 3.831 671 HG2 GLU 94 1HG GLU 94 132.227 26.294 5.370 672 HG3 GLU 94 2HG GLU 94 132.496 24.798 4.486 673 H TYR 95 H TYR 95 128.355 27.108 5.697 674 HA TYR 95 HA TYR 95 129.939 28.062 7.883 675 HB2 TYR 95 1HB TYR 95 127.303 28.792 6.681 676 HB3 TYR 95 2HB TYR 95 127.704 29.405 8.275 677 HD1 TYR 95 HD1 TYR 95 129.278 29.057 4.882 678 HD2 TYR 95 HD2 TYR 95 128.749 31.472 8.394 679 HE1 TYR 95 HE1 TYR 95 130.609 30.869 3.835 680 HE2 TYR 95 HE2 TYR 95 130.080 33.285 7.348 681 HH TYR 95 HH TYR 95 130.712 34.033 5.096 682 HA PRO 96 HA PRO 96 127.831 25.527 10.914 683 HB2 PRO 96 1HB PRO 96 128.929 26.445 13.178 684 HB3 PRO 96 2HB PRO 96 129.926 25.645 11.944 685 HG2 PRO 96 1HG PRO 96 129.700 28.518 12.614 686 HG3 PRO 96 2HG PRO 96 131.092 27.596 12.022 687 HD2 PRO 96 1HD PRO 96 129.352 29.210 10.465 688 HD3 PRO 96 2HD PRO 96 130.610 28.107 9.864 689 H THR 97 H THR 97 125.652 26.398 10.535 690 HA THR 97 HA THR 97 124.777 28.218 12.708 691 HB THR 97 HB THR 97 123.576 28.037 9.937 692 HG1 THR 97 HG1 THR 97 125.340 29.895 11.142 693 HG21 THR 97 3HG2 THR 97 122.615 30.299 10.864 694 HG22 THR 97 1HG2 THR 97 122.977 29.588 12.436 695 HG23 THR 97 2HG2 THR 97 121.863 28.776 11.338 696 H TYR 98 H TYR 98 123.259 27.423 14.005 697 HA TYR 98 HA TYR 98 122.293 24.754 13.697 698 HB2 TYR 98 1HB TYR 98 121.421 26.936 15.592 699 HB3 TYR 98 2HB TYR 98 120.989 25.242 15.723 700 HD1 TYR 98 HD1 TYR 98 122.805 23.537 16.160 701 HD2 TYR 98 HD2 TYR 98 123.487 27.772 16.401 702 HE1 TYR 98 HE1 TYR 98 124.870 23.130 17.473 703 HE2 TYR 98 HE2 TYR 98 125.552 27.363 17.713 704 HH TYR 98 HH TYR 98 126.238 24.588 19.240 705 H LYS 99 H LYS 99 120.946 27.932 13.007 706 HA LYS 99 HA LYS 99 118.227 27.298 12.944 707 HB2 LYS 99 1HB LYS 99 119.779 29.315 11.309 708 HB3 LYS 99 2HB LYS 99 118.019 29.262 11.426 709 HG2 LYS 99 1HG LYS 99 118.212 29.495 13.903 710 HG3 LYS 99 2HG LYS 99 119.960 29.667 13.722 711 HD2 LYS 99 1HD LYS 99 119.569 31.632 12.229 712 HD3 LYS 99 2HD LYS 99 117.840 31.495 12.558 713 HE2 LYS 99 1HE LYS 99 119.978 31.900 14.672 714 HE3 LYS 99 2HE LYS 99 118.940 33.173 14.028 715 HZ1 LYS 99 3HZ LYS 99 117.045 31.606 14.709 716 HZ2 LYS 99 1HZ LYS 99 117.833 32.494 15.922 717 HZ3 LYS 99 2HZ LYS 99 118.208 30.854 15.692 718 H HIS 100 H HIS 100 120.718 26.843 10.478 719 HA HIS 100 HA HIS 100 119.104 26.374 8.256 720 HB2 HIS 100 1HB HIS 100 121.776 25.243 9.048 721 HB3 HIS 100 2HB HIS 100 121.012 24.853 7.519 722 HD1 HIS 100 HD1 HIS 100 119.874 27.880 7.196 723 HD2 HIS 100 HD2 HIS 100 123.838 26.729 7.780 724 HE1 HIS 100 HE1 HIS 100 121.304 29.765 6.299 725 H ASP 101 H ASP 101 120.000 24.184 10.884 726 HA ASP 101 HA ASP 101 118.955 21.829 9.664 727 HB2 ASP 101 1HB ASP 101 119.481 22.484 12.571 728 HB3 ASP 101 2HB ASP 101 119.092 20.880 11.957 729 H THR 102 H THR 102 116.939 21.057 9.581 730 HA THR 102 HA THR 102 114.857 22.299 11.281 731 HB THR 102 HB THR 102 114.520 21.504 8.379 732 HG1 THR 102 HG1 THR 102 115.829 23.423 8.876 733 HG21 THR 102 3HG2 THR 102 112.348 22.612 8.608 734 HG22 THR 102 1HG2 THR 102 112.706 23.003 10.290 735 HG23 THR 102 2HG2 THR 102 112.495 21.322 9.802 736 H SER 103 H SER 103 113.331 20.907 12.112 737 HA SER 103 HA SER 103 113.592 18.045 11.389 738 HB2 SER 103 1HB SER 103 114.747 18.532 13.536 739 HB3 SER 103 2HB SER 103 113.232 19.154 14.180 740 HG SER 103 HG SER 103 112.572 17.172 14.442 741 H ASP 104 H ASP 104 111.750 16.998 11.040 742 HA ASP 104 HA ASP 104 109.255 17.876 12.269 743 HB2 ASP 104 1HB ASP 104 109.450 19.125 10.089 744 HB3 ASP 104 2HB ASP 104 109.461 17.568 9.265 745 H TYR 105 H TYR 105 107.745 16.180 12.431 746 HA TYR 105 HA TYR 105 108.748 13.529 11.558 747 HB2 TYR 105 1HB TYR 105 108.043 12.591 13.642 748 HB3 TYR 105 2HB TYR 105 109.098 13.950 13.970 749 HD1 TYR 105 HD1 TYR 105 105.666 12.650 14.172 750 HD2 TYR 105 HD2 TYR 105 108.227 16.001 14.986 751 HE1 TYR 105 HE1 TYR 105 103.918 13.632 15.633 752 HE2 TYR 105 HE2 TYR 105 106.480 16.982 16.448 753 HH TYR 105 HH TYR 105 103.258 15.641 16.610 754 H GLY 106 H GLY 106 107.253 11.965 11.026 755 HA2 GLY 106 1HA GLY 106 104.398 12.681 11.046 756 HA3 GLY 106 2HA GLY 106 105.143 12.201 9.521 757 H PHE 107 H PHE 107 103.057 10.679 10.462 758 HA PHE 107 HA PHE 107 104.303 8.345 11.787 759 HB2 PHE 107 1HB PHE 107 101.397 9.072 11.391 760 HB3 PHE 107 2HB PHE 107 101.973 7.612 12.175 761 HD1 PHE 107 HD1 PHE 107 103.136 7.748 14.371 762 HD2 PHE 107 HD2 PHE 107 101.389 11.199 12.502 763 HE1 PHE 107 HE1 PHE 107 103.231 8.966 16.530 764 HE2 PHE 107 HE2 PHE 107 101.486 12.416 14.659 765 HZ PHE 107 HZ PHE 107 102.406 11.300 16.674 766 H SER 108 H SER 108 104.680 6.531 10.646 767 HA SER 108 HA SER 108 103.429 6.305 7.960 768 HB2 SER 108 1HB SER 108 105.998 5.080 8.991 769 HB3 SER 108 2HB SER 108 105.347 4.901 7.365 770 HG SER 108 HG SER 108 106.088 6.817 6.903 771 H TYR 109 H TYR 109 102.361 4.461 7.397 772 HA TYR 109 HA TYR 109 102.294 2.235 9.353 773 HB2 TYR 109 1HB TYR 109 100.257 3.648 9.547 774 HB3 TYR 109 2HB TYR 109 99.932 3.374 7.846 775 HD1 TYR 109 HD1 TYR 109 99.931 1.904 11.213 776 HD2 TYR 109 HD2 TYR 109 99.127 1.202 7.053 777 HE1 TYR 109 HE1 TYR 109 98.691 -0.162 11.802 778 HE2 TYR 109 HE2 TYR 109 97.885 -0.863 7.641 779 HH TYR 109 HH TYR 109 98.154 -2.448 10.385 780 H GLY 110 H GLY 110 102.342 0.179 8.417 781 HA2 GLY 110 1HA GLY 110 101.974 -0.017 5.511 782 HA3 GLY 110 2HA GLY 110 103.559 -0.437 6.151 783 H ALA 111 H ALA 111 101.694 -2.142 4.743 784 HA ALA 111 HA ALA 111 101.771 -4.345 6.667 785 HB1 ALA 111 1HB ALA 111 99.509 -5.001 6.405 786 HB2 ALA 111 2HB ALA 111 99.257 -3.881 5.066 787 HB3 ALA 111 3HB ALA 111 99.445 -3.265 6.708 788 H GLY 112 H GLY 112 101.914 -6.403 5.658 789 HA2 GLY 112 1HA GLY 112 101.946 -6.484 2.735 790 HA3 GLY 112 2HA GLY 112 103.493 -6.736 3.529 791 H LEU 113 H LEU 113 102.395 -8.602 1.862 792 HA LEU 113 HA LEU 113 101.458 -10.767 3.642 793 HB2 LEU 113 1HB LEU 113 101.261 -10.582 0.625 794 HB3 LEU 113 2HB LEU 113 100.607 -11.871 1.635 795 HG LEU 113 HG LEU 113 99.794 -8.955 1.818 796 HD11 LEU 113 1HD1 LEU 113 97.736 -9.630 0.728 797 HD12 LEU 113 2HD1 LEU 113 98.252 -11.317 0.706 798 HD13 LEU 113 3HD1 LEU 113 99.087 -10.126 -0.293 799 HD21 LEU 113 3HD2 LEU 113 99.433 -9.958 3.943 800 HD22 LEU 113 1HD2 LEU 113 98.922 -11.486 3.224 801 HD23 LEU 113 2HD2 LEU 113 97.873 -10.072 3.130 802 H GLN 114 H GLN 114 102.537 -12.884 3.412 803 HA GLN 114 HA GLN 114 105.158 -12.710 2.049 804 HB2 GLN 114 1HB GLN 114 105.436 -12.113 4.450 805 HB3 GLN 114 2HB GLN 114 104.779 -13.691 4.885 806 HG2 GLN 114 1HG GLN 114 106.593 -14.810 3.678 807 HG3 GLN 114 2HG GLN 114 107.233 -13.254 3.158 808 HE21 GLN 114 1HE2 GLN 114 108.992 -14.832 4.549 809 HE22 GLN 114 2HE2 GLN 114 109.205 -14.257 6.131 810 H PHE 115 H PHE 115 105.809 -14.511 1.068 811 HA PHE 115 HA PHE 115 104.757 -17.092 2.003 812 HB2 PHE 115 1HB PHE 115 104.509 -17.906 -0.291 813 HB3 PHE 115 2HB PHE 115 103.409 -16.590 0.049 814 HD1 PHE 115 HD1 PHE 115 103.822 -14.335 -0.939 815 HD2 PHE 115 HD2 PHE 115 106.198 -17.761 -1.975 816 HE1 PHE 115 HE1 PHE 115 104.623 -13.164 -2.974 817 HE2 PHE 115 HE2 PHE 115 107.002 -16.588 -4.007 818 HZ PHE 115 HZ PHE 115 106.211 -14.291 -4.508 819 H ASN 116 H ASN 116 106.430 -18.433 2.412 820 HA ASN 116 HA ASN 116 109.081 -17.510 1.449 821 HB2 ASN 116 1HB ASN 116 108.613 -16.844 3.756 822 HB3 ASN 116 2HB ASN 116 108.312 -18.524 4.183 823 HD21 ASN 116 1HD2 ASN 116 110.660 -16.208 4.415 824 HD22 ASN 116 2HD2 ASN 116 112.039 -17.197 4.408 825 HA PRO 117 HA PRO 117 110.103 -21.897 1.365 826 HB2 PRO 117 1HB PRO 117 111.568 -21.831 -0.972 827 HB3 PRO 117 2HB PRO 117 109.827 -22.160 -0.915 828 HG2 PRO 117 1HG PRO 117 111.162 -19.898 -2.031 829 HG3 PRO 117 2HG PRO 117 109.430 -20.252 -2.000 830 HD2 PRO 117 1HD PRO 117 111.007 -18.488 -0.205 831 HD3 PRO 117 2HD PRO 117 109.270 -18.443 -0.595 832 H MET 118 H MET 118 112.495 -22.789 1.130 833 HA MET 118 HA MET 118 114.114 -21.394 2.954 834 HB2 MET 118 1HB MET 118 114.840 -23.542 0.950 835 HB3 MET 118 2HB MET 118 115.898 -22.990 2.249 836 HG2 MET 118 1HG MET 118 114.141 -23.606 3.902 837 HG3 MET 118 2HG MET 118 113.160 -24.245 2.583 838 HE1 MET 118 3HE MET 118 113.886 -27.539 3.825 839 HE2 MET 118 1HE MET 118 112.939 -26.058 4.007 840 HE3 MET 118 2HE MET 118 114.255 -26.409 5.124 841 H GLU 119 H GLU 119 116.160 -20.379 2.653 842 HA GLU 119 HA GLU 119 117.781 -19.120 1.660 843 HB2 GLU 119 1HB GLU 119 116.778 -20.407 -0.894 844 HB3 GLU 119 2HB GLU 119 118.295 -19.533 -0.719 845 HG2 GLU 119 1HG GLU 119 118.992 -21.136 1.046 846 HG3 GLU 119 2HG GLU 119 117.514 -22.046 0.771 847 H ASN 120 H ASN 120 117.859 -17.674 -0.694 848 HA ASN 120 HA ASN 120 116.563 -15.319 0.017 849 HB2 ASN 120 1HB ASN 120 117.801 -16.157 -2.601 850 HB3 ASN 120 2HB ASN 120 117.313 -14.510 -2.212 851 HD21 ASN 120 1HD2 ASN 120 120.055 -15.229 -2.756 852 HD22 ASN 120 2HD2 ASN 120 120.944 -15.002 -1.328 853 H VAL 121 H VAL 121 115.119 -17.968 -1.489 854 HA VAL 121 HA VAL 121 113.621 -16.569 -3.490 855 HB VAL 121 HB VAL 121 113.134 -19.395 -2.532 856 HG11 VAL 121 1HG1 VAL 121 112.433 -17.779 -4.968 857 HG12 VAL 121 2HG1 VAL 121 111.418 -18.872 -4.030 858 HG13 VAL 121 3HG1 VAL 121 112.630 -19.525 -5.125 859 HG21 VAL 121 3HG2 VAL 121 115.061 -18.476 -4.693 860 HG22 VAL 121 1HG2 VAL 121 114.729 -20.143 -4.226 861 HG23 VAL 121 2HG2 VAL 121 115.549 -19.061 -3.101 862 H ALA 122 H ALA 122 113.156 -15.987 -0.422 863 HA ALA 122 HA ALA 122 110.241 -16.460 -0.395 864 HB1 ALA 122 1HB ALA 122 110.381 -15.943 1.981 865 HB2 ALA 122 2HB ALA 122 112.075 -15.478 1.812 866 HB3 ALA 122 3HB ALA 122 111.594 -17.161 1.589 867 H LEU 123 H LEU 123 108.797 -14.716 -0.311 868 HA LEU 123 HA LEU 123 110.032 -12.102 -0.999 869 HB2 LEU 123 1HB LEU 123 107.638 -13.360 -2.348 870 HB3 LEU 123 2HB LEU 123 108.380 -11.816 -2.754 871 HG LEU 123 HG LEU 123 109.777 -14.504 -2.924 872 HD11 LEU 123 1HD1 LEU 123 108.299 -12.809 -4.918 873 HD12 LEU 123 2HD1 LEU 123 108.281 -14.562 -4.716 874 HD13 LEU 123 3HD1 LEU 123 109.676 -13.773 -5.453 875 HD21 LEU 123 3HD2 LEU 123 111.419 -12.821 -2.551 876 HD22 LEU 123 1HD2 LEU 123 110.574 -11.662 -3.578 877 HD23 LEU 123 2HD2 LEU 123 111.392 -13.047 -4.301 878 H ASP 124 H ASP 124 108.969 -10.272 -0.400 879 HA ASP 124 HA ASP 124 106.380 -10.554 1.004 880 HB2 ASP 124 1HB ASP 124 108.744 -8.872 1.875 881 HB3 ASP 124 2HB ASP 124 107.144 -8.821 2.609 882 H PHE 125 H PHE 125 104.874 -9.043 0.448 883 HA PHE 125 HA PHE 125 105.776 -6.722 -1.173 884 HB2 PHE 125 1HB PHE 125 103.236 -8.335 -1.470 885 HB3 PHE 125 2HB PHE 125 103.603 -6.861 -2.346 886 HD1 PHE 125 HD2 PHE 125 105.263 -6.845 -4.145 887 HD2 PHE 125 HD1 PHE 125 104.347 -10.440 -1.979 888 HE1 PHE 125 HE2 PHE 125 106.408 -8.186 -5.886 889 HE2 PHE 125 HE1 PHE 125 105.494 -11.781 -3.722 890 HZ PHE 125 HZ PHE 125 106.524 -10.654 -5.676 891 H SER 126 H SER 126 105.092 -4.746 -0.430 892 HA SER 126 HA SER 126 102.983 -4.706 1.632 893 HB2 SER 126 1HB SER 126 105.756 -3.554 2.004 894 HB3 SER 126 2HB SER 126 104.404 -3.345 3.111 895 HG SER 126 HG SER 126 106.084 -5.462 2.763 896 H TYR 127 H TYR 127 102.009 -2.699 1.983 897 HA TYR 127 HA TYR 127 102.704 -0.544 0.074 898 HB2 TYR 127 1HB TYR 127 99.999 -1.109 1.303 899 HB3 TYR 127 2HB TYR 127 100.374 0.113 0.103 900 HD1 TYR 127 HD1 TYR 127 100.825 -0.528 -2.243 901 HD2 TYR 127 HD2 TYR 127 99.714 -3.431 0.723 902 HE1 TYR 127 HE1 TYR 127 100.308 -2.162 -4.036 903 HE2 TYR 127 HE2 TYR 127 99.197 -5.064 -1.071 904 HH TYR 127 HH TYR 127 99.294 -5.484 -3.255 905 H GLU 128 H GLU 128 102.956 1.498 0.950 906 HA GLU 128 HA GLU 128 102.642 1.733 3.894 907 HB2 GLU 128 1HB GLU 128 105.029 1.484 3.166 908 HB3 GLU 128 2HB GLU 128 104.852 2.983 2.252 909 HG2 GLU 128 1HG GLU 128 104.175 4.144 4.347 910 HG3 GLU 128 2HG GLU 128 104.463 2.656 5.237 911 H GLN 129 H GLN 129 101.896 3.654 4.686 912 HA GLN 129 HA GLN 129 101.085 5.704 2.711 913 HB2 GLN 129 1HB GLN 129 99.468 4.485 4.953 914 HB3 GLN 129 2HB GLN 129 99.031 6.004 4.171 915 HG2 GLN 129 1HG GLN 129 99.434 3.374 2.716 916 HG3 GLN 129 2HG GLN 129 97.863 4.038 3.171 917 HE21 GLN 129 1HE2 GLN 129 99.662 3.725 0.487 918 HE22 GLN 129 2HE2 GLN 129 99.316 5.191 -0.297 919 H SER 130 H SER 130 101.558 7.717 3.216 920 HA SER 130 HA SER 130 102.242 8.397 6.012 921 HB2 SER 130 1HB SER 130 103.988 8.822 4.150 922 HB3 SER 130 2HB SER 130 102.909 10.107 3.620 923 HG SER 130 HG SER 130 104.685 10.431 5.353 924 H ARG 131 H ARG 131 101.356 10.391 6.820 925 HA ARG 131 HA ARG 131 98.517 10.178 6.191 926 HB2 ARG 131 1HB ARG 131 99.976 11.327 8.585 927 HB3 ARG 131 2HB ARG 131 98.222 11.197 8.437 928 HG2 ARG 131 1HG ARG 131 98.466 8.733 8.133 929 HG3 ARG 131 2HG ARG 131 100.201 8.900 8.413 930 HD2 ARG 131 1HD ARG 131 99.658 9.971 10.631 931 HD3 ARG 131 2HD ARG 131 97.969 9.552 10.353 932 HE ARG 131 HE ARG 131 99.776 7.310 10.113 933 HH11 ARG 131 1HH1 ARG 131 97.855 9.183 12.376 934 HH12 ARG 131 2HH1 ARG 131 97.743 7.882 13.514 935 HH21 ARG 131 1HH2 ARG 131 99.601 5.672 11.615 936 HH22 ARG 131 2HH2 ARG 131 98.722 5.918 13.087 937 H ILE 132 H ILE 132 97.141 12.260 6.321 938 HA ILE 132 HA ILE 132 98.394 13.180 3.872 939 HB ILE 132 HB ILE 132 95.502 13.366 4.748 940 HG12 ILE 132 1HG1 ILE 132 96.737 11.367 2.843 941 HG13 ILE 132 2HG1 ILE 132 96.506 11.010 4.551 942 HG21 ILE 132 1HG2 ILE 132 96.959 13.875 2.155 943 HG22 ILE 132 2HG2 ILE 132 95.785 14.901 2.975 944 HG23 ILE 132 3HG2 ILE 132 95.252 13.433 2.157 945 HD11 ILE 132 3HD1 ILE 132 94.545 10.170 3.581 946 HD12 ILE 132 1HD1 ILE 132 94.426 11.504 2.433 947 HD13 ILE 132 2HD1 ILE 132 94.048 11.769 4.136 948 H ARG 133 H ARG 133 99.606 14.907 4.355 949 HA ARG 133 HA ARG 133 98.286 17.460 4.846 950 HB2 ARG 133 1HB ARG 133 101.053 16.785 3.791 951 HB3 ARG 133 2HB ARG 133 100.475 18.408 4.165 952 HG2 ARG 133 1HG ARG 133 100.080 17.691 6.520 953 HG3 ARG 133 2HG ARG 133 100.776 16.117 6.127 954 HD2 ARG 133 1HD ARG 133 102.863 17.318 5.377 955 HD3 ARG 133 2HD ARG 133 102.166 18.804 6.017 956 HE ARG 133 HE ARG 133 102.004 17.147 8.140 957 HH11 ARG 133 1HH1 ARG 133 104.690 17.865 5.996 958 HH12 ARG 133 2HH1 ARG 133 105.876 17.569 7.222 959 HH21 ARG 133 1HH2 ARG 133 103.578 16.781 9.676 960 HH22 ARG 133 2HH2 ARG 133 105.254 16.963 9.279 961 H SER 134 H SER 134 99.042 19.045 2.773 962 HA SER 134 HA SER 134 97.121 18.514 0.841 963 HB2 SER 134 1HB SER 134 98.171 20.724 1.207 964 HB3 SER 134 2HB SER 134 99.649 20.128 0.461 965 HG SER 134 HG SER 134 97.108 20.594 -0.670 966 H VAL 135 H VAL 135 100.300 17.077 1.050 967 HA VAL 135 HA VAL 135 99.680 15.666 -1.484 968 HB VAL 135 HB VAL 135 102.097 15.174 -1.651 969 HG11 VAL 135 1HG1 VAL 135 101.434 18.121 -1.367 970 HG12 VAL 135 2HG1 VAL 135 101.151 17.139 -2.805 971 HG13 VAL 135 3HG1 VAL 135 102.799 17.461 -2.266 972 HG21 VAL 135 3HG2 VAL 135 103.632 16.540 -0.184 973 HG22 VAL 135 1HG2 VAL 135 102.746 15.282 0.680 974 HG23 VAL 135 2HG2 VAL 135 102.226 16.964 0.794 975 H ASP 136 H ASP 136 99.299 13.547 -1.322 976 HA ASP 136 HA ASP 136 99.936 12.152 1.214 977 HB2 ASP 136 1HB ASP 136 97.513 12.381 0.790 978 HB3 ASP 136 2HB ASP 136 97.715 11.593 -0.772 979 H VAL 137 H VAL 137 100.951 10.076 1.078 980 HA VAL 137 HA VAL 137 102.103 9.609 -1.638 981 HB VAL 137 HB VAL 137 104.074 8.708 -0.590 982 HG11 VAL 137 1HG1 VAL 137 103.182 11.374 0.533 983 HG12 VAL 137 2HG1 VAL 137 104.086 11.093 -0.956 984 HG13 VAL 137 3HG1 VAL 137 104.842 10.784 0.607 985 HG21 VAL 137 3HG2 VAL 137 104.187 9.143 2.013 986 HG22 VAL 137 1HG2 VAL 137 103.461 7.660 1.395 987 HG23 VAL 137 2HG2 VAL 137 102.431 8.998 1.905 988 H GLY 138 H GLY 138 102.143 7.638 -2.543 989 HA2 GLY 138 1HA GLY 138 101.140 5.347 -0.952 990 HA3 GLY 138 2HA GLY 138 100.710 5.572 -2.650 991 H THR 139 H THR 139 102.671 3.759 -0.772 992 HA THR 139 HA THR 139 104.870 3.753 -2.761 993 HB THR 139 HB THR 139 105.176 3.275 0.204 994 HG1 THR 139 HG1 THR 139 104.870 5.395 0.091 995 HG21 THR 139 3HG2 THR 139 107.551 3.360 -0.286 996 HG22 THR 139 1HG2 THR 139 107.225 3.753 -1.974 997 HG23 THR 139 2HG2 THR 139 106.802 2.162 -1.342 998 H TRP 140 H TRP 140 105.427 1.845 -3.577 999 HA TRP 140 HA TRP 140 104.200 -0.592 -2.415 1000 HB2 TRP 140 1HB TRP 140 105.124 0.029 -5.223 1001 HB3 TRP 140 2HB TRP 140 104.641 -1.567 -4.687 1002 HD1 TRP 140 HD1 TRP 140 102.992 1.914 -4.259 1003 HE1 TRP 140 HE1 TRP 140 100.539 1.728 -5.028 1004 HE3 TRP 140 HE3 TRP 140 102.899 -2.975 -5.732 1005 HZ2 TRP 140 HZ2 TRP 140 98.770 -0.238 -6.127 1006 HZ3 TRP 140 HZ3 TRP 140 100.822 -3.976 -6.636 1007 HH2 TRP 140 HH2 TRP 140 98.760 -2.618 -6.835 1008 H ILE 141 H ILE 141 105.554 -2.182 -1.681 1009 HA ILE 141 HA ILE 141 108.463 -1.784 -2.109 1010 HB ILE 141 HB ILE 141 107.101 -2.806 0.400 1011 HG12 ILE 141 1HG1 ILE 141 108.507 -0.159 -0.043 1012 HG13 ILE 141 2HG1 ILE 141 106.755 -0.347 -0.065 1013 HG21 ILE 141 1HG2 ILE 141 109.981 -2.006 -0.102 1014 HG22 ILE 141 2HG2 ILE 141 109.406 -3.672 -0.078 1015 HG23 ILE 141 3HG2 ILE 141 109.320 -2.688 1.382 1016 HD11 ILE 141 3HD1 ILE 141 107.554 0.378 2.162 1017 HD12 ILE 141 1HD1 ILE 141 108.560 -1.067 2.261 1018 HD13 ILE 141 2HD1 ILE 141 106.804 -1.217 2.234 1019 H ALA 142 H ALA 142 109.554 -3.515 -2.843 1020 HA ALA 142 HA ALA 142 108.354 -6.204 -2.475 1021 HB1 ALA 142 1HB ALA 142 108.847 -6.827 -4.663 1022 HB2 ALA 142 2HB ALA 142 110.073 -5.573 -4.852 1023 HB3 ALA 142 3HB ALA 142 108.363 -5.145 -4.886 1024 H GLY 143 H GLY 143 109.689 -7.578 -1.410 1025 HA2 GLY 143 1HA GLY 143 112.588 -6.957 -1.382 1026 HA3 GLY 143 2HA GLY 143 111.708 -7.209 0.119 1027 H VAL 144 H VAL 144 113.962 -8.663 -0.894 1028 HA VAL 144 HA VAL 144 112.800 -11.376 -1.106 1029 HB VAL 144 HB VAL 144 114.861 -12.012 -2.339 1030 HG11 VAL 144 1HG1 VAL 144 114.337 -10.402 -4.390 1031 HG12 VAL 144 2HG1 VAL 144 112.984 -9.916 -3.371 1032 HG13 VAL 144 3HG1 VAL 144 113.163 -11.601 -3.858 1033 HG21 VAL 144 3HG2 VAL 144 116.345 -10.225 -3.191 1034 HG22 VAL 144 1HG2 VAL 144 116.344 -10.257 -1.428 1035 HG23 VAL 144 2HG2 VAL 144 115.418 -9.026 -2.288 1036 H GLY 145 H GLY 145 113.634 -12.898 0.328 1037 HA2 GLY 145 1HA GLY 145 115.996 -12.242 1.906 1038 HA3 GLY 145 2HA GLY 145 114.480 -12.289 2.794 1039 H TYR 146 H TYR 146 116.203 -13.917 3.738 1040 HA TYR 146 HA TYR 146 115.239 -16.576 2.968 1041 HB2 TYR 146 1HB TYR 146 117.434 -17.540 3.011 1042 HB3 TYR 146 2HB TYR 146 117.439 -16.210 1.872 1043 HD1 TYR 146 HD1 TYR 146 118.597 -14.081 2.440 1044 HD2 TYR 146 HD2 TYR 146 118.785 -17.527 4.997 1045 HE1 TYR 146 HE1 TYR 146 120.544 -13.100 3.621 1046 HE2 TYR 146 HE2 TYR 146 120.731 -16.545 6.178 1047 HH TYR 146 HH TYR 146 121.571 -13.377 6.015 1048 H ARG 147 H ARG 147 115.684 -18.187 4.704 1049 HA ARG 147 HA ARG 147 115.732 -16.908 7.379 1050 HB2 ARG 147 1HB ARG 147 113.457 -17.669 6.671 1051 HB3 ARG 147 2HB ARG 147 114.088 -19.311 6.555 1052 HG2 ARG 147 1HG ARG 147 114.698 -19.281 8.924 1053 HG3 ARG 147 2HG ARG 147 114.154 -17.609 9.062 1054 HD2 ARG 147 1HD ARG 147 112.375 -19.007 9.885 1055 HD3 ARG 147 2HD ARG 147 111.871 -18.375 8.320 1056 HE ARG 147 HE ARG 147 113.184 -20.979 8.282 1057 HH11 ARG 147 1HH1 ARG 147 110.128 -19.252 8.299 1058 HH12 ARG 147 2HH1 ARG 147 109.244 -20.607 7.681 1059 HH21 ARG 147 1HH2 ARG 147 111.994 -22.689 7.488 1060 HH22 ARG 147 2HH2 ARG 147 110.288 -22.528 7.230 1061 H PHE 148 H PHE 148 116.689 -18.098 9.065 1062 HA PHE 148 HA PHE 148 118.322 -19.428 9.976 1063 HB2 PHE 148 1HB PHE 148 116.623 -21.158 9.461 1064 HB3 PHE 148 2HB PHE 148 117.369 -21.394 7.893 1065 HD1 PHE 148 HD1 PHE 148 119.529 -22.529 7.684 1066 HD2 PHE 148 HD2 PHE 148 117.679 -21.936 11.515 1067 HE1 PHE 148 HE1 PHE 148 121.083 -24.178 8.690 1068 HE2 PHE 148 HE2 PHE 148 119.233 -23.584 12.522 1069 HZ PHE 148 HZ PHE 148 120.936 -24.706 11.110 Start of MODEL 4 1 H1 ALA 1 3H ALA 1 114.053 -23.143 12.219 2 H2 ALA 1 2H ALA 1 112.806 -23.434 11.104 3 H3 ALA 1 HT3 ALA 1 112.453 -23.301 12.759 4 HA ALA 1 HA ALA 1 113.313 -21.162 10.901 5 HB1 ALA 1 2HB ALA 1 111.198 -20.237 11.284 6 HB2 ALA 1 3HB ALA 1 110.986 -21.106 12.804 7 HB3 ALA 1 1HB ALA 1 110.842 -21.964 11.270 8 H THR 2 H THR 2 114.005 -19.220 11.797 9 HA THR 2 HA THR 2 114.254 -18.995 14.698 10 HB THR 2 HB THR 2 116.711 -18.415 14.432 11 HG1 THR 2 HG1 THR 2 117.694 -19.247 12.575 12 HG21 THR 2 3HG2 THR 2 115.983 -21.265 13.717 13 HG22 THR 2 1HG2 THR 2 115.810 -20.590 15.337 14 HG23 THR 2 2HG2 THR 2 117.408 -20.718 14.603 15 H SER 3 H SER 3 115.450 -17.504 11.676 16 HA SER 3 HA SER 3 113.965 -15.080 12.206 17 HB2 SER 3 1HB SER 3 115.847 -13.593 12.412 18 HB3 SER 3 2HB SER 3 116.030 -14.854 13.629 19 HG SER 3 HG SER 3 117.822 -14.198 11.966 20 H THR 4 H THR 4 114.084 -13.573 10.411 21 HA THR 4 HA THR 4 115.195 -14.763 7.930 22 HB THR 4 HB THR 4 113.281 -13.918 6.703 23 HG1 THR 4 HG1 THR 4 111.579 -12.939 7.851 24 HG21 THR 4 3HG2 THR 4 111.453 -15.269 7.826 25 HG22 THR 4 1HG2 THR 4 112.573 -15.534 9.162 26 HG23 THR 4 2HG2 THR 4 112.962 -16.138 7.551 27 H VAL 5 H VAL 5 115.839 -13.277 6.319 28 HA VAL 5 HA VAL 5 116.181 -10.474 7.225 29 HB VAL 5 HB VAL 5 118.209 -12.103 5.670 30 HG11 VAL 5 1HG1 VAL 5 119.657 -10.121 6.088 31 HG12 VAL 5 2HG1 VAL 5 118.278 -9.295 6.815 32 HG13 VAL 5 3HG1 VAL 5 118.249 -9.721 5.105 33 HG21 VAL 5 3HG2 VAL 5 118.056 -11.263 8.575 34 HG22 VAL 5 1HG2 VAL 5 119.571 -11.728 7.802 35 HG23 VAL 5 2HG2 VAL 5 118.252 -12.892 7.931 36 H THR 6 H THR 6 115.334 -9.035 5.833 37 HA THR 6 HA THR 6 114.948 -9.873 3.015 38 HB THR 6 HB THR 6 112.971 -8.291 4.669 39 HG1 THR 6 HG1 THR 6 112.838 -10.968 3.748 40 HG21 THR 6 3HG2 THR 6 112.682 -7.689 2.408 41 HG22 THR 6 1HG2 THR 6 111.521 -8.994 2.641 42 HG23 THR 6 2HG2 THR 6 113.058 -9.314 1.835 43 H GLY 7 H GLY 7 115.399 -8.371 1.490 44 HA2 GLY 7 1HA GLY 7 115.787 -5.560 2.371 45 HA3 GLY 7 2HA GLY 7 116.873 -6.329 1.208 46 H GLY 8 H GLY 8 114.852 -4.022 0.992 47 HA2 GLY 8 1HA GLY 8 113.551 -5.010 -1.454 48 HA3 GLY 8 2HA GLY 8 112.519 -4.389 -0.175 49 H TYR 9 H TYR 9 112.448 -3.310 -2.645 50 HA TYR 9 HA TYR 9 113.779 -0.680 -2.334 51 HB2 TYR 9 1HB TYR 9 112.768 -1.982 -4.870 52 HB3 TYR 9 2HB TYR 9 113.579 -0.432 -4.752 53 HD1 TYR 9 HD1 TYR 9 113.977 -4.084 -4.666 54 HD2 TYR 9 HD2 TYR 9 115.996 -0.303 -4.375 55 HE1 TYR 9 HE1 TYR 9 116.160 -5.226 -4.954 56 HE2 TYR 9 HE2 TYR 9 118.178 -1.447 -4.663 57 HH TYR 9 HH TYR 9 119.196 -3.374 -5.123 58 H ALA 10 H ALA 10 112.478 1.064 -2.217 59 HA ALA 10 HA ALA 10 109.559 0.619 -2.447 60 HB1 ALA 10 1HB ALA 10 110.711 2.805 -0.761 61 HB2 ALA 10 2HB ALA 10 110.760 1.152 -0.150 62 HB3 ALA 10 3HB ALA 10 109.213 1.895 -0.556 63 H GLN 11 H GLN 11 108.397 2.002 -3.666 64 HA GLN 11 HA GLN 11 109.756 4.420 -4.732 65 HB2 GLN 11 1HB GLN 11 107.692 2.646 -6.069 66 HB3 GLN 11 2HB GLN 11 108.292 4.172 -6.726 67 HG2 GLN 11 1HG GLN 11 110.568 3.284 -6.797 68 HG3 GLN 11 2HG GLN 11 110.030 1.781 -6.055 69 HE21 GLN 11 1HE2 GLN 11 111.303 1.816 -8.622 70 HE22 GLN 11 2HE2 GLN 11 110.161 1.343 -9.787 71 H SER 12 H SER 12 108.722 6.323 -4.370 72 HA SER 12 HA SER 12 106.019 6.183 -3.150 73 HB2 SER 12 1HB SER 12 108.181 8.252 -2.694 74 HB3 SER 12 2HB SER 12 106.604 8.207 -1.918 75 HG SER 12 HG SER 12 107.611 7.012 -0.503 76 H ASP 13 H ASP 13 104.490 7.677 -3.787 77 HA ASP 13 HA ASP 13 104.751 8.420 -6.558 78 HB2 ASP 13 1HB ASP 13 102.489 8.802 -4.586 79 HB3 ASP 13 2HB ASP 13 102.384 9.139 -6.311 80 H ALA 14 H ALA 14 104.723 10.415 -7.468 81 HA ALA 14 HA ALA 14 105.654 12.577 -5.712 82 HB1 ALA 14 1HB ALA 14 106.230 13.555 -8.096 83 HB2 ALA 14 2HB ALA 14 106.075 11.868 -8.586 84 HB3 ALA 14 3HB ALA 14 107.255 12.324 -7.357 85 H GLN 15 H GLN 15 104.732 14.545 -5.639 86 HA GLN 15 HA GLN 15 102.063 14.877 -6.781 87 HB2 GLN 15 1HB GLN 15 102.560 15.501 -4.402 88 HB3 GLN 15 2HB GLN 15 103.647 16.753 -5.002 89 HG2 GLN 15 1HG GLN 15 101.800 17.827 -6.194 90 HG3 GLN 15 2HG GLN 15 100.701 16.551 -5.683 91 HE21 GLN 15 1HE2 GLN 15 99.946 19.088 -4.974 92 HE22 GLN 15 2HE2 GLN 15 100.210 19.363 -3.322 93 H GLY 16 H GLY 16 101.543 16.808 -8.060 94 HA2 GLY 16 1HA GLY 16 103.111 17.009 -10.319 95 HA3 GLY 16 2HA GLY 16 101.924 18.215 -9.849 96 H GLN 17 H GLN 17 104.617 18.391 -11.116 97 HA GLN 17 HA GLN 17 106.474 19.702 -11.112 98 HB2 GLN 17 1HB GLN 17 105.004 21.186 -8.920 99 HB3 GLN 17 2HB GLN 17 106.450 21.759 -9.746 100 HG2 GLN 17 1HG GLN 17 105.287 21.731 -11.890 101 HG3 GLN 17 2HG GLN 17 103.849 21.058 -11.130 102 HE21 GLN 17 1HE2 GLN 17 103.772 23.549 -12.542 103 HE22 GLN 17 2HE2 GLN 17 103.465 24.786 -11.422 104 H MET 18 H MET 18 106.439 17.293 -9.505 105 HA MET 18 HA MET 18 108.896 17.895 -8.051 106 HB2 MET 18 1HB MET 18 106.612 16.401 -6.734 107 HB3 MET 18 2HB MET 18 108.231 16.600 -6.072 108 HG2 MET 18 1HG MET 18 107.921 19.070 -6.122 109 HG3 MET 18 2HG MET 18 106.266 18.826 -6.682 110 HE1 MET 18 3HE MET 18 104.989 20.009 -4.360 111 HE2 MET 18 1HE MET 18 106.644 20.550 -4.666 112 HE3 MET 18 2HE MET 18 106.144 20.111 -3.034 113 H ASN 19 H ASN 19 109.964 15.772 -7.357 114 HA ASN 19 HA ASN 19 109.588 13.809 -9.538 115 HB2 ASN 19 1HB ASN 19 112.006 14.430 -7.825 116 HB3 ASN 19 2HB ASN 19 111.935 13.157 -9.043 117 HD21 ASN 19 1HD2 ASN 19 113.743 15.449 -9.162 118 HD22 ASN 19 2HD2 ASN 19 113.323 16.343 -10.542 119 H LYS 20 H LYS 20 109.673 11.582 -9.082 120 HA LYS 20 HA LYS 20 108.443 10.745 -6.659 121 HB2 LYS 20 1HB LYS 20 109.906 9.101 -8.743 122 HB3 LYS 20 2HB LYS 20 108.819 8.468 -7.506 123 HG2 LYS 20 1HG LYS 20 107.021 9.980 -8.455 124 HG3 LYS 20 2HG LYS 20 108.111 10.311 -9.800 125 HD2 LYS 20 1HD LYS 20 107.193 7.542 -8.979 126 HD3 LYS 20 2HD LYS 20 106.498 8.475 -10.303 127 HE2 LYS 20 1HE LYS 20 108.812 8.600 -11.313 128 HE3 LYS 20 2HE LYS 20 109.342 7.457 -10.077 129 HZ1 LYS 20 3HZ LYS 20 106.950 6.611 -11.392 130 HZ2 LYS 20 1HZ LYS 20 108.408 5.774 -11.161 131 HZ3 LYS 20 2HZ LYS 20 108.233 6.825 -12.486 132 H MET 21 H MET 21 109.452 8.956 -5.265 133 HA MET 21 HA MET 21 112.283 9.675 -4.685 134 HB2 MET 21 1HB MET 21 110.025 9.249 -2.718 135 HB3 MET 21 2HB MET 21 111.724 9.412 -2.276 136 HG2 MET 21 1HG MET 21 111.771 11.636 -3.394 137 HG3 MET 21 2HG MET 21 110.045 11.479 -3.724 138 HE1 MET 21 3HE MET 21 111.147 14.124 -1.567 139 HE2 MET 21 1HE MET 21 109.401 13.976 -1.335 140 HE3 MET 21 2HE MET 21 110.114 13.651 -2.913 141 H GLY 22 H GLY 22 113.529 8.045 -3.607 142 HA2 GLY 22 1HA GLY 22 112.478 5.295 -3.996 143 HA3 GLY 22 2HA GLY 22 114.101 5.754 -4.508 144 H GLY 23 H GLY 23 113.004 3.830 -2.404 145 HA2 GLY 23 1HA GLY 23 114.711 4.766 -0.186 146 HA3 GLY 23 2HA GLY 23 113.065 4.238 0.145 147 H PHE 24 H PHE 24 115.789 3.182 0.931 148 HA PHE 24 HA PHE 24 115.456 0.401 -0.054 149 HB2 PHE 24 1HB PHE 24 117.883 1.724 1.174 150 HB3 PHE 24 2HB PHE 24 117.786 0.055 0.643 151 HD1 PHE 24 HD1 PHE 24 118.032 3.566 -0.410 152 HD2 PHE 24 HD2 PHE 24 117.799 -0.511 -1.740 153 HE1 PHE 24 HE1 PHE 24 118.750 4.266 -2.678 154 HE2 PHE 24 HE2 PHE 24 118.520 0.188 -4.008 155 HZ PHE 24 HZ PHE 24 118.993 2.576 -4.478 156 H ASN 25 H ASN 25 115.050 -1.198 1.467 157 HA ASN 25 HA ASN 25 115.026 -0.347 4.306 158 HB2 ASN 25 1HB ASN 25 112.869 -1.403 4.625 159 HB3 ASN 25 2HB ASN 25 112.750 -0.185 3.357 160 HD21 ASN 25 1HD2 ASN 25 110.955 -2.488 3.645 161 HD22 ASN 25 2HD2 ASN 25 111.149 -3.436 2.249 162 H LEU 26 H LEU 26 115.590 -1.802 5.793 163 HA LEU 26 HA LEU 26 116.144 -4.581 4.918 164 HB2 LEU 26 1HB LEU 26 118.219 -3.254 5.375 165 HB3 LEU 26 2HB LEU 26 117.650 -3.008 7.027 166 HG LEU 26 HG LEU 26 117.466 -5.563 7.176 167 HD11 LEU 26 1HD1 LEU 26 119.028 -6.753 5.599 168 HD12 LEU 26 2HD1 LEU 26 119.132 -5.263 4.661 169 HD13 LEU 26 3HD1 LEU 26 117.588 -6.101 4.816 170 HD21 LEU 26 3HD2 LEU 26 119.223 -4.485 8.379 171 HD22 LEU 26 1HD2 LEU 26 120.096 -4.096 6.898 172 HD23 LEU 26 2HD2 LEU 26 120.010 -5.767 7.454 173 H LYS 27 H LYS 27 115.334 -6.204 6.261 174 HA LYS 27 HA LYS 27 113.781 -5.272 8.611 175 HB2 LYS 27 1HB LYS 27 112.906 -7.243 6.488 176 HB3 LYS 27 2HB LYS 27 112.010 -6.860 7.958 177 HG2 LYS 27 1HG LYS 27 111.771 -4.542 7.274 178 HG3 LYS 27 2HG LYS 27 112.798 -4.814 5.866 179 HD2 LYS 27 1HD LYS 27 110.515 -4.881 5.104 180 HD3 LYS 27 2HD LYS 27 111.122 -6.536 5.086 181 HE2 LYS 27 1HE LYS 27 108.852 -6.391 6.084 182 HE3 LYS 27 2HE LYS 27 110.043 -6.985 7.239 183 HZ1 LYS 27 3HZ LYS 27 109.440 -4.107 7.064 184 HZ2 LYS 27 1HZ LYS 27 110.077 -4.985 8.367 185 HZ3 LYS 27 2HZ LYS 27 108.435 -5.142 7.962 186 H TYR 28 H TYR 28 113.802 -6.540 10.375 187 HA TYR 28 HA TYR 28 115.101 -9.198 10.196 188 HB2 TYR 28 1HB TYR 28 115.160 -7.242 12.502 189 HB3 TYR 28 2HB TYR 28 115.859 -8.851 12.510 190 HD1 TYR 28 HD1 TYR 28 117.801 -9.359 10.978 191 HD2 TYR 28 HD2 TYR 28 116.302 -5.378 11.576 192 HE1 TYR 28 HE1 TYR 28 119.914 -8.426 10.073 193 HE2 TYR 28 HE2 TYR 28 118.414 -4.446 10.672 194 HH TYR 28 HH TYR 28 121.132 -6.559 9.809 195 H ARG 29 H ARG 29 114.009 -10.879 11.135 196 HA ARG 29 HA ARG 29 111.525 -10.267 12.609 197 HB2 ARG 29 1HB ARG 29 110.997 -10.715 10.214 198 HB3 ARG 29 2HB ARG 29 111.748 -12.301 10.380 199 HG2 ARG 29 1HG ARG 29 110.139 -12.854 12.190 200 HG3 ARG 29 2HG ARG 29 109.359 -11.291 11.951 201 HD2 ARG 29 1HD ARG 29 108.917 -11.916 9.577 202 HD3 ARG 29 2HD ARG 29 109.602 -13.506 9.898 203 HE ARG 29 HE ARG 29 107.410 -12.678 11.637 204 HH11 ARG 29 1HH1 ARG 29 108.349 -14.507 8.790 205 HH12 ARG 29 2HH1 ARG 29 106.924 -15.489 8.830 206 HH21 ARG 29 1HH2 ARG 29 105.595 -13.976 11.635 207 HH22 ARG 29 2HH2 ARG 29 105.384 -15.189 10.418 208 H TYR 30 H TYR 30 110.971 -11.713 14.198 209 HA TYR 30 HA TYR 30 112.898 -13.900 14.721 210 HB2 TYR 30 1HB TYR 30 111.043 -12.448 16.618 211 HB3 TYR 30 2HB TYR 30 112.134 -13.750 17.054 212 HD1 TYR 30 HD1 TYR 30 114.569 -13.387 17.112 213 HD2 TYR 30 HD2 TYR 30 111.840 -10.202 16.189 214 HE1 TYR 30 HE1 TYR 30 116.373 -11.730 17.498 215 HE2 TYR 30 HE2 TYR 30 113.644 -8.544 16.578 216 HH TYR 30 HH TYR 30 115.732 -8.235 17.284 217 H GLU 31 H GLU 31 112.123 -15.975 15.113 218 HA GLU 31 HA GLU 31 109.424 -16.454 14.089 219 HB2 GLU 31 1HB GLU 31 111.686 -18.365 14.717 220 HB3 GLU 31 2HB GLU 31 110.141 -18.820 13.995 221 HG2 GLU 31 1HG GLU 31 112.104 -16.839 12.812 222 HG3 GLU 31 2HG GLU 31 111.901 -18.502 12.278 223 H GLU 32 H GLU 32 107.787 -16.699 15.392 224 HA GLU 32 HA GLU 32 108.144 -18.044 17.980 225 HB2 GLU 32 1HB GLU 32 106.721 -15.433 17.500 226 HB3 GLU 32 2HB GLU 32 106.375 -16.452 18.896 227 HG2 GLU 32 1HG GLU 32 108.028 -14.911 19.638 228 HG3 GLU 32 2HG GLU 32 108.881 -16.425 19.369 229 H ASP 33 H ASP 33 106.279 -19.051 18.811 230 HA ASP 33 HA ASP 33 104.788 -20.406 16.774 231 HB2 ASP 33 1HB ASP 33 104.617 -20.528 19.793 232 HB3 ASP 33 2HB ASP 33 103.773 -21.614 18.692 233 H ASN 34 H ASN 34 102.334 -20.826 17.518 234 HA ASN 34 HA ASN 34 100.886 -18.622 16.681 235 HB2 ASN 34 1HB ASN 34 99.987 -20.958 18.373 236 HB3 ASN 34 2HB ASN 34 98.899 -19.819 17.581 237 HD21 ASN 34 1HD2 ASN 34 98.993 -22.662 16.965 238 HD22 ASN 34 2HD2 ASN 34 99.507 -22.812 15.353 239 H SER 35 H SER 35 101.895 -19.401 20.004 240 HA SER 35 HA SER 35 99.867 -17.578 21.062 241 HB2 SER 35 1HB SER 35 100.597 -19.903 22.025 242 HB3 SER 35 2HB SER 35 101.877 -18.962 22.783 243 HG SER 35 HG SER 35 99.070 -18.706 23.036 244 HA PRO 36 HA PRO 36 103.388 -14.748 21.670 245 HB2 PRO 36 1HB PRO 36 105.982 -15.589 20.900 246 HB3 PRO 36 2HB PRO 36 105.348 -15.486 22.550 247 HG2 PRO 36 1HG PRO 36 106.065 -17.813 21.189 248 HG3 PRO 36 2HG PRO 36 105.153 -17.708 22.705 249 HD2 PRO 36 1HD PRO 36 104.144 -18.120 19.931 250 HD3 PRO 36 2HD PRO 36 103.505 -18.758 21.462 251 H LEU 37 H LEU 37 103.512 -13.105 20.229 252 HA LEU 37 HA LEU 37 103.142 -13.695 17.432 253 HB2 LEU 37 1HB LEU 37 103.436 -11.022 18.821 254 HB3 LEU 37 2HB LEU 37 102.847 -11.283 17.181 255 HG LEU 37 HG LEU 37 101.542 -12.392 19.683 256 HD11 LEU 37 1HD1 LEU 37 99.853 -10.697 19.375 257 HD12 LEU 37 2HD1 LEU 37 100.585 -10.170 17.860 258 HD13 LEU 37 3HD1 LEU 37 101.416 -9.883 19.390 259 HD21 LEU 37 3HD2 LEU 37 99.650 -12.785 18.020 260 HD22 LEU 37 1HD2 LEU 37 101.061 -13.821 17.811 261 HD23 LEU 37 2HD2 LEU 37 100.816 -12.442 16.742 262 H GLY 38 H GLY 38 104.390 -12.696 15.707 263 HA2 GLY 38 1HA GLY 38 107.249 -12.990 16.189 264 HA3 GLY 38 2HA GLY 38 106.465 -12.774 14.626 265 H VAL 39 H VAL 39 108.788 -11.327 16.025 266 HA VAL 39 HA VAL 39 107.632 -8.596 16.098 267 HB VAL 39 HB VAL 39 110.292 -9.567 17.181 268 HG11 VAL 39 1HG1 VAL 39 110.266 -7.183 16.543 269 HG12 VAL 39 2HG1 VAL 39 110.321 -7.363 18.298 270 HG13 VAL 39 3HG1 VAL 39 108.805 -6.940 17.500 271 HG21 VAL 39 3HG2 VAL 39 108.628 -10.531 18.576 272 HG22 VAL 39 1HG2 VAL 39 107.593 -9.107 18.462 273 HG23 VAL 39 2HG2 VAL 39 109.085 -9.041 19.400 274 H ILE 40 H ILE 40 108.036 -7.292 14.420 275 HA ILE 40 HA ILE 40 110.398 -7.883 12.717 276 HB ILE 40 HB ILE 40 107.756 -6.672 11.848 277 HG12 ILE 40 1HG1 ILE 40 108.883 -9.401 11.167 278 HG13 ILE 40 2HG1 ILE 40 107.707 -9.149 12.456 279 HG21 ILE 40 1HG2 ILE 40 108.672 -6.865 9.604 280 HG22 ILE 40 2HG2 ILE 40 110.124 -7.651 10.222 281 HG23 ILE 40 3HG2 ILE 40 109.812 -5.956 10.596 282 HD11 ILE 40 3HD1 ILE 40 107.218 -8.193 9.627 283 HD12 ILE 40 1HD1 ILE 40 106.049 -8.375 10.933 284 HD13 ILE 40 2HD1 ILE 40 106.754 -9.800 10.175 285 H GLY 41 H GLY 41 111.757 -6.236 12.333 286 HA2 GLY 41 1HA GLY 41 110.876 -3.478 12.944 287 HA3 GLY 41 2HA GLY 41 112.425 -4.077 13.543 288 H SER 42 H SER 42 111.561 -1.964 11.444 289 HA SER 42 HA SER 42 113.397 -2.892 9.320 290 HB2 SER 42 1HB SER 42 110.965 -3.199 8.671 291 HB3 SER 42 2HB SER 42 110.801 -1.450 8.765 292 HG SER 42 HG SER 42 112.039 -1.231 7.028 293 H PHE 43 H PHE 43 114.709 -1.366 8.483 294 HA PHE 43 HA PHE 43 114.345 1.436 9.404 295 HB2 PHE 43 1HB PHE 43 116.905 -0.042 8.763 296 HB3 PHE 43 2HB PHE 43 116.795 1.658 9.179 297 HD1 PHE 43 HD1 PHE 43 116.144 2.341 11.485 298 HD2 PHE 43 HD2 PHE 43 116.802 -1.769 10.421 299 HE1 PHE 43 HE1 PHE 43 116.324 1.749 13.887 300 HE2 PHE 43 HE2 PHE 43 116.979 -2.362 12.824 301 HZ PHE 43 HZ PHE 43 116.743 -0.603 14.555 302 H THR 44 H THR 44 114.208 2.969 7.821 303 HA THR 44 HA THR 44 114.815 2.117 5.042 304 HB THR 44 HB THR 44 112.427 3.763 5.898 305 HG1 THR 44 HG1 THR 44 111.315 1.811 5.258 306 HG21 THR 44 3HG2 THR 44 113.413 2.644 3.270 307 HG22 THR 44 1HG2 THR 44 113.030 4.321 3.663 308 HG23 THR 44 2HG2 THR 44 111.736 3.133 3.512 309 H TYR 45 H TYR 45 115.832 3.545 3.788 310 HA TYR 45 HA TYR 45 116.090 6.348 4.722 311 HB2 TYR 45 1HB TYR 45 118.149 4.732 3.208 312 HB3 TYR 45 2HB TYR 45 118.319 6.395 3.729 313 HD1 TYR 45 HD1 TYR 45 118.756 6.937 6.080 314 HD2 TYR 45 HD2 TYR 45 118.344 2.870 4.760 315 HE1 TYR 45 HE1 TYR 45 119.750 6.143 8.207 316 HE2 TYR 45 HE2 TYR 45 119.335 2.077 6.889 317 HH TYR 45 HH TYR 45 120.640 4.351 9.265 318 H THR 46 H THR 46 115.439 7.850 3.190 319 HA THR 46 HA THR 46 114.989 6.839 0.433 320 HB THR 46 HB THR 46 113.195 8.857 1.774 321 HG1 THR 46 HG1 THR 46 113.116 6.905 2.941 322 HG21 THR 46 3HG2 THR 46 112.695 6.944 -0.515 323 HG22 THR 46 1HG2 THR 46 113.286 8.591 -0.743 324 HG23 THR 46 2HG2 THR 46 111.702 8.316 -0.022 325 H GLU 47 H GLU 47 115.324 8.263 -1.247 326 HA GLU 47 HA GLU 47 116.501 10.886 -0.565 327 HB2 GLU 47 1HB GLU 47 117.628 8.872 -2.527 328 HB3 GLU 47 2HB GLU 47 118.230 10.512 -2.289 329 HG2 GLU 47 1HG GLU 47 118.103 8.375 -0.144 330 HG3 GLU 47 2HG GLU 47 119.556 8.845 -1.016 331 H LYS 48 H LYS 48 116.337 12.460 -2.206 332 HA LYS 48 HA LYS 48 114.324 11.870 -4.300 333 HB2 LYS 48 1HB LYS 48 113.595 13.475 -2.522 334 HB3 LYS 48 2HB LYS 48 114.916 14.541 -3.004 335 HG2 LYS 48 1HG LYS 48 113.994 14.595 -5.316 336 HG3 LYS 48 2HG LYS 48 112.635 13.611 -4.771 337 HD2 LYS 48 1HD LYS 48 112.105 15.381 -3.076 338 HD3 LYS 48 2HD LYS 48 113.369 16.383 -3.791 339 HE2 LYS 48 1HE LYS 48 112.203 16.272 -5.978 340 HE3 LYS 48 2HE LYS 48 110.918 15.322 -5.230 341 HZ1 LYS 48 3HZ LYS 48 110.065 17.414 -5.044 342 HZ2 LYS 48 1HZ LYS 48 111.580 18.155 -4.881 343 HZ3 LYS 48 2HZ LYS 48 110.901 17.320 -3.569 344 H SER 49 H SER 49 114.697 12.659 -6.381 345 HA SER 49 HA SER 49 117.344 12.653 -7.279 346 HB2 SER 49 1HB SER 49 114.928 13.883 -8.627 347 HB3 SER 49 2HB SER 49 116.444 13.460 -9.414 348 HG SER 49 HG SER 49 116.035 11.280 -8.630 349 H ARG 50 H ARG 50 118.841 14.198 -7.680 350 HA ARG 50 HA ARG 50 118.775 16.617 -6.233 351 HB2 ARG 50 1HB ARG 50 120.559 15.737 -8.512 352 HB3 ARG 50 2HB ARG 50 120.848 17.156 -7.505 353 HG2 ARG 50 1HG ARG 50 120.853 15.676 -5.493 354 HG3 ARG 50 2HG ARG 50 120.704 14.279 -6.560 355 HD2 ARG 50 1HD ARG 50 122.975 16.287 -6.554 356 HD3 ARG 50 2HD ARG 50 123.054 14.629 -5.965 357 HE ARG 50 HE ARG 50 122.180 14.535 -8.623 358 HH11 ARG 50 1HH1 ARG 50 125.084 15.479 -6.889 359 HH12 ARG 50 2HH1 ARG 50 126.122 15.103 -8.224 360 HH21 ARG 50 1HH2 ARG 50 123.567 14.070 -10.305 361 HH22 ARG 50 2HH2 ARG 50 125.273 14.315 -10.132 362 H THR 51 H THR 51 117.995 15.867 -9.593 363 HA THR 51 HA THR 51 118.061 18.563 -10.518 364 HB THR 51 HB THR 51 116.560 16.218 -11.702 365 HG1 THR 51 HG1 THR 51 118.675 15.634 -11.522 366 HG21 THR 51 3HG2 THR 51 117.716 18.706 -12.990 367 HG22 THR 51 1HG2 THR 51 116.014 18.500 -12.577 368 HG23 THR 51 2HG2 THR 51 116.760 17.454 -13.783 369 H ALA 52 H ALA 52 116.653 20.131 -10.198 370 HA ALA 52 HA ALA 52 113.801 19.466 -9.831 371 HB1 ALA 52 1HB ALA 52 113.565 20.779 -7.948 372 HB2 ALA 52 2HB ALA 52 114.953 21.790 -8.347 373 HB3 ALA 52 3HB ALA 52 115.201 20.173 -7.689 374 H SER 53 H SER 53 112.354 21.033 -10.653 375 HA SER 53 HA SER 53 113.195 22.366 -12.982 376 HB2 SER 53 1HB SER 53 110.842 21.651 -12.463 377 HB3 SER 53 2HB SER 53 110.738 23.002 -11.339 378 HG SER 53 HG SER 53 109.964 23.669 -13.328 379 H SER 54 H SER 54 112.290 23.717 -9.804 380 HA SER 54 HA SER 54 113.541 26.266 -10.568 381 HB2 SER 54 1HB SER 54 111.533 25.445 -8.506 382 HB3 SER 54 2HB SER 54 112.497 26.889 -8.234 383 HG SER 54 HG SER 54 110.928 27.700 -9.434 384 H GLY 55 H GLY 55 113.763 23.666 -8.194 385 HA2 GLY 55 1HA GLY 55 115.635 24.973 -6.485 386 HA3 GLY 55 2HA GLY 55 115.229 23.264 -6.467 387 H ASP 56 H ASP 56 115.992 23.069 -9.389 388 HA ASP 56 HA ASP 56 117.792 22.427 -10.616 389 HB2 ASP 56 1HB ASP 56 119.421 24.263 -8.842 390 HB3 ASP 56 2HB ASP 56 119.881 23.630 -10.417 391 H TYR 57 H TYR 57 119.631 22.818 -7.574 392 HA TYR 57 HA TYR 57 119.907 19.870 -7.495 393 HB2 TYR 57 1HB TYR 57 121.737 22.008 -6.396 394 HB3 TYR 57 2HB TYR 57 121.989 20.280 -6.256 395 HD1 TYR 57 HD1 TYR 57 122.415 18.920 -8.340 396 HD2 TYR 57 HD2 TYR 57 122.348 23.215 -8.348 397 HE1 TYR 57 HE1 TYR 57 123.611 18.933 -10.510 398 HE2 TYR 57 HE2 TYR 57 123.544 23.229 -10.521 399 HH TYR 57 HH TYR 57 123.956 20.389 -12.409 400 H ASN 58 H ASN 58 119.020 18.846 -5.813 401 HA ASN 58 HA ASN 58 118.533 20.345 -3.314 402 HB2 ASN 58 1HB ASN 58 116.536 18.600 -4.773 403 HB3 ASN 58 2HB ASN 58 116.315 19.234 -3.145 404 HD21 ASN 58 1HD2 ASN 58 114.568 19.898 -5.362 405 HD22 ASN 58 2HD2 ASN 58 114.737 21.560 -5.662 406 H LYS 59 H LYS 59 118.485 19.086 -1.429 407 HA LYS 59 HA LYS 59 119.122 16.221 -1.713 408 HB2 LYS 59 1HB LYS 59 121.239 17.497 -1.365 409 HB3 LYS 59 2HB LYS 59 120.581 18.106 0.155 410 HG2 LYS 59 1HG LYS 59 120.306 15.762 0.945 411 HG3 LYS 59 2HG LYS 59 121.058 15.194 -0.546 412 HD2 LYS 59 1HD LYS 59 123.079 16.568 0.018 413 HD3 LYS 59 2HD LYS 59 122.333 16.948 1.572 414 HE2 LYS 59 1HE LYS 59 122.140 14.443 1.962 415 HE3 LYS 59 2HE LYS 59 123.167 14.226 0.545 416 HZ1 LYS 59 3HZ LYS 59 124.646 14.264 2.316 417 HZ2 LYS 59 1HZ LYS 59 123.826 15.512 3.118 418 HZ3 LYS 59 2HZ LYS 59 124.723 15.851 1.715 419 H ASN 60 H ASN 60 117.699 15.084 -0.590 420 HA ASN 60 HA ASN 60 116.647 16.187 1.947 421 HB2 ASN 60 1HB ASN 60 115.005 16.303 0.010 422 HB3 ASN 60 2HB ASN 60 115.018 14.541 0.009 423 HD21 ASN 60 1HD2 ASN 60 113.377 13.654 1.256 424 HD22 ASN 60 2HD2 ASN 60 112.682 14.387 2.621 425 H GLN 61 H GLN 61 116.866 14.844 3.639 426 HA GLN 61 HA GLN 61 117.567 12.016 3.081 427 HB2 GLN 61 1HB GLN 61 119.351 13.383 4.171 428 HB3 GLN 61 2HB GLN 61 118.254 13.672 5.521 429 HG2 GLN 61 1HG GLN 61 118.101 11.260 5.941 430 HG3 GLN 61 2HG GLN 61 119.145 10.938 4.560 431 HE21 GLN 61 1HE2 GLN 61 120.037 9.941 6.954 432 HE22 GLN 61 2HE2 GLN 61 121.323 10.869 7.558 433 H TYR 62 H TYR 62 116.280 10.463 3.905 434 HA TYR 62 HA TYR 62 114.221 11.261 5.890 435 HB2 TYR 62 1HB TYR 62 113.348 10.864 3.566 436 HB3 TYR 62 2HB TYR 62 113.931 9.217 3.695 437 HD1 TYR 62 HD1 TYR 62 112.817 7.591 5.141 438 HD2 TYR 62 HD2 TYR 62 111.416 11.640 4.836 439 HE1 TYR 62 HE1 TYR 62 110.685 6.935 6.225 440 HE2 TYR 62 HE2 TYR 62 109.284 10.984 5.919 441 HH TYR 62 HH TYR 62 108.392 9.262 7.330 442 H TYR 63 H TYR 63 114.034 9.989 7.638 443 HA TYR 63 HA TYR 63 115.312 7.323 7.613 444 HB2 TYR 63 1HB TYR 63 116.850 8.894 8.700 445 HB3 TYR 63 2HB TYR 63 115.572 9.414 9.779 446 HD1 TYR 63 HD1 TYR 63 117.732 6.548 8.833 447 HD2 TYR 63 HD2 TYR 63 115.044 8.185 11.754 448 HE1 TYR 63 HE1 TYR 63 118.370 4.754 10.424 449 HE2 TYR 63 HE2 TYR 63 115.681 6.394 13.346 450 HH TYR 63 HH TYR 63 118.364 4.533 13.040 451 H GLY 64 H GLY 64 113.924 5.785 8.312 452 HA2 GLY 64 1HA GLY 64 111.812 6.580 10.227 453 HA3 GLY 64 2HA GLY 64 111.388 5.716 8.756 454 H ILE 65 H ILE 65 111.322 5.111 11.756 455 HA ILE 65 HA ILE 65 112.503 2.397 11.526 456 HB ILE 65 HB ILE 65 112.092 3.998 14.070 457 HG12 ILE 65 1HG1 ILE 65 114.674 3.228 12.676 458 HG13 ILE 65 2HG1 ILE 65 113.951 4.834 12.595 459 HG21 ILE 65 1HG2 ILE 65 113.309 2.151 15.127 460 HG22 ILE 65 2HG2 ILE 65 113.465 1.339 13.569 461 HG23 ILE 65 3HG2 ILE 65 111.875 1.532 14.306 462 HD11 ILE 65 3HD1 ILE 65 114.094 5.036 15.044 463 HD12 ILE 65 1HD1 ILE 65 115.686 4.730 14.350 464 HD13 ILE 65 2HD1 ILE 65 114.805 3.426 15.143 465 H THR 66 H THR 66 110.993 0.843 11.481 466 HA THR 66 HA THR 66 108.308 1.451 12.593 467 HB THR 66 HB THR 66 108.723 -0.362 10.231 468 HG1 THR 66 HG1 THR 66 108.588 2.459 10.307 469 HG21 THR 66 3HG2 THR 66 106.546 0.002 11.681 470 HG22 THR 66 1HG2 THR 66 106.434 -0.086 9.921 471 HG23 THR 66 2HG2 THR 66 106.411 1.482 10.728 472 H ALA 67 H ALA 67 107.222 -0.247 13.615 473 HA ALA 67 HA ALA 67 108.530 -2.854 13.749 474 HB1 ALA 67 1HB ALA 67 108.246 -2.831 16.276 475 HB2 ALA 67 2HB ALA 67 108.011 -1.088 16.147 476 HB3 ALA 67 3HB ALA 67 109.541 -1.811 15.650 477 H GLY 68 H GLY 68 107.060 -4.559 14.286 478 HA2 GLY 68 1HA GLY 68 104.362 -3.964 15.092 479 HA3 GLY 68 2HA GLY 68 104.476 -4.276 13.370 480 HA PRO 69 HA PRO 69 104.404 -8.397 15.502 481 HB2 PRO 69 1HB PRO 69 101.752 -8.943 15.798 482 HB3 PRO 69 2HB PRO 69 102.707 -8.087 17.023 483 HG2 PRO 69 1HG PRO 69 100.619 -7.077 15.274 484 HG3 PRO 69 2HG PRO 69 101.325 -6.352 16.726 485 HD2 PRO 69 1HD PRO 69 101.919 -5.763 13.941 486 HD3 PRO 69 2HD PRO 69 102.475 -4.912 15.397 487 H ALA 70 H ALA 70 104.777 -9.934 14.097 488 HA ALA 70 HA ALA 70 103.435 -10.215 11.559 489 HB1 ALA 70 1HB ALA 70 104.889 -12.190 11.304 490 HB2 ALA 70 2HB ALA 70 105.425 -12.003 12.972 491 HB3 ALA 70 3HB ALA 70 105.813 -10.765 11.781 492 H TYR 71 H TYR 71 101.831 -11.593 11.051 493 HA TYR 71 HA TYR 71 100.733 -13.358 13.126 494 HB2 TYR 71 1HB TYR 71 99.204 -11.781 11.955 495 HB3 TYR 71 2HB TYR 71 99.593 -12.569 10.439 496 HD1 TYR 71 HD1 TYR 71 97.929 -12.971 13.719 497 HD2 TYR 71 HD2 TYR 71 98.608 -14.683 9.839 498 HE1 TYR 71 HE1 TYR 71 96.119 -14.617 14.129 499 HE2 TYR 71 HE2 TYR 71 96.799 -16.331 10.249 500 HH TYR 71 HH TYR 71 94.579 -16.245 11.908 501 H ARG 72 H ARG 72 100.174 -15.576 12.506 502 HA ARG 72 HA ARG 72 102.633 -16.609 11.301 503 HB2 ARG 72 1HB ARG 72 102.107 -17.118 13.673 504 HB3 ARG 72 2HB ARG 72 100.656 -17.966 13.146 505 HG2 ARG 72 1HG ARG 72 102.285 -19.665 13.430 506 HG3 ARG 72 2HG ARG 72 102.225 -19.401 11.690 507 HD2 ARG 72 1HD ARG 72 104.187 -17.884 11.879 508 HD3 ARG 72 2HD ARG 72 104.258 -18.224 13.604 509 HE ARG 72 HE ARG 72 104.296 -20.664 12.197 510 HH11 ARG 72 1HH1 ARG 72 106.379 -17.890 12.727 511 HH12 ARG 72 2HH1 ARG 72 107.829 -18.808 12.497 512 HH21 ARG 72 1HH2 ARG 72 106.196 -21.795 11.911 513 HH22 ARG 72 2HH2 ARG 72 107.725 -20.992 12.040 514 H ILE 73 H ILE 73 102.726 -18.088 9.746 515 HA ILE 73 HA ILE 73 100.558 -18.057 7.889 516 HB ILE 73 HB ILE 73 102.104 -19.340 6.443 517 HG12 ILE 73 1HG1 ILE 73 104.032 -19.154 8.782 518 HG13 ILE 73 2HG1 ILE 73 103.209 -20.636 8.305 519 HG21 ILE 73 1HG2 ILE 73 103.281 -16.959 7.898 520 HG22 ILE 73 2HG2 ILE 73 102.194 -16.915 6.512 521 HG23 ILE 73 3HG2 ILE 73 103.824 -17.550 6.325 522 HD11 ILE 73 3HD1 ILE 73 104.193 -20.195 5.955 523 HD12 ILE 73 1HD1 ILE 73 105.284 -20.784 7.211 524 HD13 ILE 73 2HD1 ILE 73 105.278 -19.074 6.777 525 H ASN 74 H ASN 74 98.979 -19.459 7.619 526 HA ASN 74 HA ASN 74 99.100 -22.166 8.651 527 HB2 ASN 74 1HB ASN 74 97.141 -20.851 6.746 528 HB3 ASN 74 2HB ASN 74 96.946 -22.445 7.473 529 HD21 ASN 74 1HD2 ASN 74 97.723 -21.996 10.121 530 HD22 ASN 74 2HD2 ASN 74 96.690 -20.856 10.837 531 H ASP 75 H ASP 75 99.275 -20.548 5.499 532 HA ASP 75 HA ASP 75 101.139 -22.467 4.470 533 HB2 ASP 75 1HB ASP 75 98.257 -22.575 3.646 534 HB3 ASP 75 2HB ASP 75 99.504 -22.903 2.447 535 H TRP 76 H TRP 76 102.316 -20.492 4.219 536 HA TRP 76 HA TRP 76 103.043 -18.599 3.140 537 HB2 TRP 76 1HB TRP 76 101.470 -19.608 0.778 538 HB3 TRP 76 2HB TRP 76 102.900 -18.600 0.763 539 HD1 TRP 76 HD1 TRP 76 102.404 -21.543 -0.644 540 HE1 TRP 76 HE1 TRP 76 104.182 -23.359 -0.221 541 HE3 TRP 76 HE3 TRP 76 104.609 -19.662 3.567 542 HZ2 TRP 76 HZ2 TRP 76 106.262 -23.941 1.654 543 HZ3 TRP 76 HZ3 TRP 76 106.480 -20.867 4.647 544 HH2 TRP 76 HH2 TRP 76 107.311 -23.000 3.700 545 H ALA 77 H ALA 77 101.053 -18.020 4.747 546 HA ALA 77 HA ALA 77 99.157 -16.318 3.247 547 HB1 ALA 77 1HB ALA 77 98.727 -18.113 5.618 548 HB2 ALA 77 2HB ALA 77 97.822 -18.038 4.106 549 HB3 ALA 77 3HB ALA 77 97.653 -16.749 5.300 550 H SER 78 H SER 78 101.782 -15.390 4.413 551 HA SER 78 HA SER 78 101.353 -14.831 7.196 552 HB2 SER 78 1HB SER 78 103.587 -15.221 5.805 553 HB3 SER 78 2HB SER 78 103.514 -13.472 5.634 554 HG SER 78 HG SER 78 104.619 -14.405 7.559 555 H ILE 79 H ILE 79 101.035 -12.871 8.207 556 HA ILE 79 HA ILE 79 100.411 -10.557 6.449 557 HB ILE 79 HB ILE 79 98.769 -11.427 8.846 558 HG12 ILE 79 1HG1 ILE 79 98.023 -11.436 5.907 559 HG13 ILE 79 2HG1 ILE 79 98.501 -12.877 6.804 560 HG21 ILE 79 1HG2 ILE 79 98.931 -8.955 8.394 561 HG22 ILE 79 2HG2 ILE 79 97.297 -9.601 8.234 562 HG23 ILE 79 3HG2 ILE 79 98.255 -9.255 6.794 563 HD11 ILE 79 3HD1 ILE 79 96.060 -11.148 7.212 564 HD12 ILE 79 1HD1 ILE 79 96.637 -12.245 8.466 565 HD13 ILE 79 2HD1 ILE 79 96.134 -12.883 6.901 566 H TYR 80 H TYR 80 101.467 -8.786 7.057 567 HA TYR 80 HA TYR 80 102.393 -8.571 9.872 568 HB2 TYR 80 1HB TYR 80 103.699 -7.504 7.363 569 HB3 TYR 80 2HB TYR 80 104.239 -7.180 8.990 570 HD1 TYR 80 HD1 TYR 80 103.442 -10.429 9.481 571 HD2 TYR 80 HD2 TYR 80 106.118 -8.112 7.054 572 HE1 TYR 80 HE1 TYR 80 104.968 -12.373 9.308 573 HE2 TYR 80 HE2 TYR 80 107.647 -10.049 6.890 574 HH TYR 80 HH TYR 80 106.746 -13.174 7.679 575 H GLY 81 H GLY 81 101.691 -6.785 10.943 576 HA2 GLY 81 1HA GLY 81 100.957 -4.403 9.304 577 HA3 GLY 81 2HA GLY 81 100.133 -4.822 10.809 578 H VAL 82 H VAL 82 101.970 -2.460 9.915 579 HA VAL 82 HA VAL 82 103.696 -2.548 12.300 580 HB VAL 82 HB VAL 82 105.648 -1.841 10.991 581 HG11 VAL 82 1HG1 VAL 82 105.280 -4.244 11.435 582 HG12 VAL 82 2HG1 VAL 82 106.082 -3.993 9.884 583 HG13 VAL 82 3HG1 VAL 82 104.362 -4.374 9.934 584 HG21 VAL 82 3HG2 VAL 82 105.495 -2.128 8.473 585 HG22 VAL 82 1HG2 VAL 82 104.607 -0.742 9.110 586 HG23 VAL 82 2HG2 VAL 82 103.743 -2.213 8.661 587 H VAL 83 H VAL 83 104.416 -0.545 13.055 588 HA VAL 83 HA VAL 83 103.383 1.864 11.699 589 HB VAL 83 HB VAL 83 102.842 2.827 13.927 590 HG11 VAL 83 1HG1 VAL 83 101.462 0.366 12.900 591 HG12 VAL 83 2HG1 VAL 83 100.920 2.044 12.868 592 HG13 VAL 83 3HG1 VAL 83 100.877 1.135 14.377 593 HG21 VAL 83 3HG2 VAL 83 103.347 -0.006 14.893 594 HG22 VAL 83 1HG2 VAL 83 102.671 1.299 15.868 595 HG23 VAL 83 2HG2 VAL 83 104.331 1.405 15.284 596 H GLY 84 H GLY 84 104.826 3.624 11.791 597 HA2 GLY 84 1HA GLY 84 107.250 3.302 13.410 598 HA3 GLY 84 2HA GLY 84 107.448 3.355 11.663 599 H VAL 85 H VAL 85 108.743 5.215 13.042 600 HA VAL 85 HA VAL 85 107.160 7.689 12.587 601 HB VAL 85 HB VAL 85 109.493 7.308 14.492 602 HG11 VAL 85 1HG1 VAL 85 109.470 9.568 13.736 603 HG12 VAL 85 2HG1 VAL 85 108.626 9.591 15.284 604 HG13 VAL 85 3HG1 VAL 85 107.708 9.644 13.780 605 HG21 VAL 85 3HG2 VAL 85 107.869 7.458 16.279 606 HG22 VAL 85 1HG2 VAL 85 107.339 6.182 15.183 607 HG23 VAL 85 2HG2 VAL 85 106.563 7.765 15.133 608 H GLY 86 H GLY 86 107.878 8.859 10.917 609 HA2 GLY 86 1HA GLY 86 110.709 8.498 10.062 610 HA3 GLY 86 2HA GLY 86 109.377 8.642 8.922 611 H TYR 87 H TYR 87 111.826 10.337 9.407 612 HA TYR 87 HA TYR 87 110.361 12.893 9.411 613 HB2 TYR 87 1HB TYR 87 111.938 13.962 10.842 614 HB3 TYR 87 2HB TYR 87 111.348 12.531 11.659 615 HD1 TYR 87 HD1 TYR 87 114.239 14.137 10.055 616 HD2 TYR 87 HD2 TYR 87 112.821 10.623 12.077 617 HE1 TYR 87 HE1 TYR 87 116.578 13.396 10.406 618 HE2 TYR 87 HE2 TYR 87 115.160 9.881 12.427 619 HH TYR 87 HH TYR 87 117.411 10.898 12.549 620 H GLY 88 H GLY 88 111.426 14.602 8.326 621 HA2 GLY 88 1HA GLY 88 113.532 13.715 6.427 622 HA3 GLY 88 2HA GLY 88 112.148 14.672 5.908 623 H LYS 89 H LYS 89 115.123 15.210 5.905 624 HA LYS 89 HA LYS 89 114.920 17.904 7.074 625 HB2 LYS 89 1HB LYS 89 116.087 16.437 8.719 626 HB3 LYS 89 2HB LYS 89 117.312 16.099 7.497 627 HG2 LYS 89 1HG LYS 89 117.783 18.537 7.333 628 HG3 LYS 89 2HG LYS 89 116.622 18.826 8.630 629 HD2 LYS 89 1HD LYS 89 117.964 17.295 10.094 630 HD3 LYS 89 2HD LYS 89 119.172 17.198 8.813 631 HE2 LYS 89 1HE LYS 89 119.878 18.907 10.377 632 HE3 LYS 89 2HE LYS 89 119.362 19.702 8.889 633 HZ1 LYS 89 3HZ LYS 89 117.371 20.373 9.850 634 HZ2 LYS 89 1HZ LYS 89 118.503 20.622 11.087 635 HZ3 LYS 89 2HZ LYS 89 117.487 19.263 11.128 636 H PHE 90 H PHE 90 115.956 19.493 5.882 637 HA PHE 90 HA PHE 90 117.212 18.614 3.375 638 HB2 PHE 90 1HB PHE 90 116.297 21.321 4.348 639 HB3 PHE 90 2HB PHE 90 117.126 21.062 2.824 640 HD1 PHE 90 HD1 PHE 90 116.022 19.776 1.002 641 HD2 PHE 90 HD2 PHE 90 113.984 20.758 4.652 642 HE1 PHE 90 HE1 PHE 90 113.848 19.265 -0.074 643 HE2 PHE 90 HE2 PHE 90 111.809 20.248 3.576 644 HZ PHE 90 HZ PHE 90 111.742 19.500 1.212 645 H GLN 91 H GLN 91 119.345 18.691 3.045 646 HA GLN 91 HA GLN 91 121.027 20.004 5.105 647 HB2 GLN 91 1HB GLN 91 121.559 17.520 3.461 648 HB3 GLN 91 2HB GLN 91 122.732 18.285 4.537 649 HG2 GLN 91 1HG GLN 91 121.248 17.941 6.451 650 HG3 GLN 91 2HG GLN 91 120.015 17.253 5.397 651 HE21 GLN 91 1HE2 GLN 91 121.140 15.774 7.589 652 HE22 GLN 91 2HE2 GLN 91 122.029 14.478 6.949 653 H THR 92 H THR 92 122.857 21.112 4.459 654 HA THR 92 HA THR 92 122.758 22.190 1.759 655 HB THR 92 HB THR 92 124.465 23.748 2.550 656 HG1 THR 92 HG1 THR 92 125.639 22.361 3.858 657 HG21 THR 92 3HG2 THR 92 122.148 23.259 4.434 658 HG22 THR 92 1HG2 THR 92 122.245 24.420 3.111 659 HG23 THR 92 2HG2 THR 92 123.205 24.661 4.571 660 H THR 93 H THR 93 124.698 22.320 0.419 661 HA THR 93 HA THR 93 126.504 19.999 0.789 662 HB THR 93 HB THR 93 125.000 19.488 -1.015 663 HG1 THR 93 HG1 THR 93 126.651 19.684 -2.795 664 HG21 THR 93 3HG2 THR 93 125.283 21.141 -3.090 665 HG22 THR 93 1HG2 THR 93 125.560 22.314 -1.804 666 HG23 THR 93 2HG2 THR 93 124.049 21.411 -1.858 667 H GLU 94 H GLU 94 126.244 23.387 -0.051 668 HA GLU 94 HA GLU 94 129.195 23.489 -0.334 669 HB2 GLU 94 1HB GLU 94 127.118 25.205 -1.715 670 HB3 GLU 94 2HB GLU 94 128.865 25.440 -1.817 671 HG2 GLU 94 1HG GLU 94 129.091 23.138 -2.733 672 HG3 GLU 94 2HG GLU 94 127.339 22.976 -2.704 673 H TYR 95 H TYR 95 130.206 25.438 0.442 674 HA TYR 95 HA TYR 95 129.479 26.185 2.985 675 HB2 TYR 95 1HB TYR 95 131.698 26.575 2.077 676 HB3 TYR 95 2HB TYR 95 131.079 27.830 1.029 677 HD1 TYR 95 HD1 TYR 95 130.402 30.009 1.936 678 HD2 TYR 95 HD2 TYR 95 131.979 26.915 4.465 679 HE1 TYR 95 HE1 TYR 95 130.760 31.670 3.743 680 HE2 TYR 95 HE2 TYR 95 132.339 28.577 6.271 681 HH TYR 95 HH TYR 95 132.657 31.027 6.477 682 HA PRO 96 HA PRO 96 127.181 30.087 1.504 683 HB2 PRO 96 1HB PRO 96 126.252 29.673 -1.239 684 HB3 PRO 96 2HB PRO 96 127.210 31.006 -0.573 685 HG2 PRO 96 1HG PRO 96 128.193 29.184 -2.308 686 HG3 PRO 96 2HG PRO 96 129.184 30.033 -1.109 687 HD2 PRO 96 1HD PRO 96 128.086 27.241 -1.002 688 HD3 PRO 96 2HD PRO 96 129.678 27.842 -0.494 689 H THR 97 H THR 97 125.619 29.318 2.888 690 HA THR 97 HA THR 97 123.503 27.584 1.744 691 HB THR 97 HB THR 97 123.182 26.674 3.983 692 HG1 THR 97 HG1 THR 97 124.687 27.290 5.606 693 HG21 THR 97 3HG2 THR 97 126.146 26.604 3.404 694 HG22 THR 97 1HG2 THR 97 124.974 25.778 2.377 695 HG23 THR 97 2HG2 THR 97 125.135 25.324 4.074 696 H TYR 98 H TYR 98 121.384 27.826 2.760 697 HA TYR 98 HA TYR 98 120.854 30.622 3.590 698 HB2 TYR 98 1HB TYR 98 119.065 28.735 2.051 699 HB3 TYR 98 2HB TYR 98 118.650 30.365 2.547 700 HD1 TYR 98 HD1 TYR 98 119.907 32.315 1.554 701 HD2 TYR 98 HD2 TYR 98 120.325 28.299 0.085 702 HE1 TYR 98 HE1 TYR 98 120.878 33.187 -0.556 703 HE2 TYR 98 HE2 TYR 98 121.297 29.172 -2.023 704 HH TYR 98 HH TYR 98 120.968 32.017 -3.158 705 H LYS 99 H LYS 99 119.254 30.957 5.167 706 HA LYS 99 HA LYS 99 119.226 29.210 7.333 707 HB2 LYS 99 1HB LYS 99 118.631 31.625 7.415 708 HB3 LYS 99 2HB LYS 99 117.092 31.238 6.643 709 HG2 LYS 99 1HG LYS 99 116.571 29.690 8.521 710 HG3 LYS 99 2HG LYS 99 118.073 30.176 9.309 711 HD2 LYS 99 1HD LYS 99 117.263 32.549 9.265 712 HD3 LYS 99 2HD LYS 99 115.720 31.963 8.643 713 HE2 LYS 99 1HE LYS 99 115.409 32.130 10.994 714 HE3 LYS 99 2HE LYS 99 115.663 30.414 10.688 715 HZ1 LYS 99 3HZ LYS 99 117.105 30.801 12.408 716 HZ2 LYS 99 1HZ LYS 99 117.485 32.375 11.899 717 HZ3 LYS 99 2HZ LYS 99 118.134 31.037 11.078 718 H HIS 100 H HIS 100 117.107 29.309 4.529 719 HA HIS 100 HA HIS 100 114.856 27.992 5.416 720 HB2 HIS 100 1HB HIS 100 116.233 27.614 2.759 721 HB3 HIS 100 2HB HIS 100 114.564 27.220 3.114 722 HD1 HIS 100 HD1 HIS 100 113.106 29.430 3.960 723 HD2 HIS 100 HD2 HIS 100 116.563 30.144 1.744 724 HE1 HIS 100 HE1 HIS 100 112.910 31.792 3.070 725 H ASP 101 H ASP 101 115.168 26.375 6.882 726 HA ASP 101 HA ASP 101 116.065 23.809 5.743 727 HB2 ASP 101 1HB ASP 101 117.861 24.722 7.225 728 HB3 ASP 101 2HB ASP 101 116.703 24.745 8.554 729 H THR 102 H THR 102 114.744 22.066 6.329 730 HA THR 102 HA THR 102 112.435 22.749 8.068 731 HB THR 102 HB THR 102 112.270 21.195 5.481 732 HG1 THR 102 HG1 THR 102 112.468 23.182 4.753 733 HG21 THR 102 3HG2 THR 102 110.586 20.636 7.208 734 HG22 THR 102 1HG2 THR 102 109.856 21.446 5.821 735 HG23 THR 102 2HG2 THR 102 110.146 22.342 7.314 736 H SER 103 H SER 103 111.882 21.266 9.518 737 HA SER 103 HA SER 103 112.662 18.466 9.088 738 HB2 SER 103 1HB SER 103 113.510 18.234 11.330 739 HB3 SER 103 2HB SER 103 114.345 19.592 10.585 740 HG SER 103 HG SER 103 112.174 19.628 12.413 741 H ASP 104 H ASP 104 111.131 17.010 9.758 742 HA ASP 104 HA ASP 104 109.088 17.716 11.658 743 HB2 ASP 104 1HB ASP 104 107.187 17.508 10.104 744 HB3 ASP 104 2HB ASP 104 108.212 18.882 9.690 745 H TYR 105 H TYR 105 107.811 15.968 12.280 746 HA TYR 105 HA TYR 105 108.772 13.324 11.371 747 HB2 TYR 105 1HB TYR 105 107.410 14.087 13.958 748 HB3 TYR 105 2HB TYR 105 108.022 12.498 13.543 749 HD1 TYR 105 HD1 TYR 105 108.960 15.979 14.385 750 HD2 TYR 105 HD2 TYR 105 110.358 11.965 13.757 751 HE1 TYR 105 HE1 TYR 105 111.153 16.591 15.367 752 HE2 TYR 105 HE2 TYR 105 112.553 12.577 14.738 753 HH TYR 105 HH TYR 105 113.216 15.910 15.823 754 H GLY 106 H GLY 106 107.236 11.681 10.952 755 HA2 GLY 106 1HA GLY 106 104.396 12.441 11.006 756 HA3 GLY 106 2HA GLY 106 105.100 11.907 9.481 757 H PHE 107 H PHE 107 102.970 10.568 10.773 758 HA PHE 107 HA PHE 107 104.210 8.166 11.946 759 HB2 PHE 107 1HB PHE 107 102.331 9.227 13.146 760 HB3 PHE 107 2HB PHE 107 101.313 8.999 11.740 761 HD1 PHE 107 HD1 PHE 107 103.110 7.284 14.484 762 HD2 PHE 107 HD2 PHE 107 100.310 6.872 11.253 763 HE1 PHE 107 HE1 PHE 107 102.457 5.048 15.336 764 HE2 PHE 107 HE2 PHE 107 99.658 4.635 12.104 765 HZ PHE 107 HZ PHE 107 100.731 3.724 14.146 766 H SER 108 H SER 108 104.535 6.419 10.690 767 HA SER 108 HA SER 108 103.025 6.243 8.137 768 HB2 SER 108 1HB SER 108 105.671 4.990 8.907 769 HB3 SER 108 2HB SER 108 104.878 4.850 7.341 770 HG SER 108 HG SER 108 106.489 6.536 7.479 771 H TYR 109 H TYR 109 101.884 4.447 7.634 772 HA TYR 109 HA TYR 109 101.968 2.158 9.522 773 HB2 TYR 109 1HB TYR 109 99.922 3.500 9.860 774 HB3 TYR 109 2HB TYR 109 99.532 3.327 8.158 775 HD1 TYR 109 HD1 TYR 109 98.719 1.201 7.265 776 HD2 TYR 109 HD2 TYR 109 99.672 1.652 11.427 777 HE1 TYR 109 HE1 TYR 109 97.514 -0.908 7.770 778 HE2 TYR 109 HE2 TYR 109 98.471 -0.457 11.933 779 HH TYR 109 HH TYR 109 97.706 -2.710 9.725 780 H GLY 110 H GLY 110 101.923 0.107 8.554 781 HA2 GLY 110 1HA GLY 110 101.623 0.007 5.629 782 HA3 GLY 110 2HA GLY 110 103.166 -0.480 6.316 783 H ALA 111 H ALA 111 101.447 -2.109 4.771 784 HA ALA 111 HA ALA 111 101.280 -4.349 6.645 785 HB1 ALA 111 1HB ALA 111 98.966 -3.147 6.224 786 HB2 ALA 111 2HB ALA 111 99.067 -4.907 6.239 787 HB3 ALA 111 3HB ALA 111 99.021 -4.039 4.704 788 H GLY 112 H GLY 112 101.558 -6.388 5.630 789 HA2 GLY 112 1HA GLY 112 101.971 -6.443 2.734 790 HA3 GLY 112 2HA GLY 112 103.402 -6.707 3.720 791 H LEU 113 H LEU 113 102.481 -8.580 1.910 792 HA LEU 113 HA LEU 113 101.652 -10.790 3.693 793 HB2 LEU 113 1HB LEU 113 100.852 -10.452 0.789 794 HB3 LEU 113 2HB LEU 113 100.403 -11.791 1.845 795 HG LEU 113 HG LEU 113 99.675 -8.890 2.347 796 HD11 LEU 113 1HD1 LEU 113 98.484 -9.722 0.391 797 HD12 LEU 113 2HD1 LEU 113 97.367 -9.668 1.756 798 HD13 LEU 113 3HD1 LEU 113 98.057 -11.207 1.243 799 HD21 LEU 113 3HD2 LEU 113 98.082 -9.991 3.984 800 HD22 LEU 113 1HD2 LEU 113 99.787 -10.131 4.416 801 HD23 LEU 113 2HD2 LEU 113 98.944 -11.505 3.700 802 H GLN 114 H GLN 114 102.640 -12.879 3.172 803 HA GLN 114 HA GLN 114 104.970 -12.620 1.346 804 HB2 GLN 114 1HB GLN 114 104.920 -13.816 4.116 805 HB3 GLN 114 2HB GLN 114 106.239 -14.039 2.966 806 HG2 GLN 114 1HG GLN 114 106.567 -11.609 2.849 807 HG3 GLN 114 2HG GLN 114 105.231 -11.361 3.971 808 HE21 GLN 114 1HE2 GLN 114 108.056 -10.601 4.419 809 HE22 GLN 114 2HE2 GLN 114 108.564 -11.458 5.794 810 H PHE 115 H PHE 115 105.548 -14.321 0.168 811 HA PHE 115 HA PHE 115 104.211 -16.918 0.656 812 HB2 PHE 115 1HB PHE 115 103.470 -15.833 -1.483 813 HB3 PHE 115 2HB PHE 115 105.142 -15.821 -2.009 814 HD1 PHE 115 HD2 PHE 115 102.176 -17.892 -1.369 815 HD2 PHE 115 HD1 PHE 115 106.272 -17.893 -2.662 816 HE1 PHE 115 HE2 PHE 115 101.889 -20.184 -2.273 817 HE2 PHE 115 HE1 PHE 115 105.986 -20.186 -3.566 818 HZ PHE 115 HZ PHE 115 103.796 -21.332 -3.370 819 H ASN 116 H ASN 116 105.750 -18.299 1.451 820 HA ASN 116 HA ASN 116 108.577 -17.545 0.936 821 HB2 ASN 116 1HB ASN 116 107.477 -17.252 3.255 822 HB3 ASN 116 2HB ASN 116 107.630 -19.003 3.372 823 HD21 ASN 116 1HD2 ASN 116 109.884 -19.902 3.148 824 HD22 ASN 116 2HD2 ASN 116 111.203 -18.926 3.588 825 HA PRO 117 HA PRO 117 109.428 -21.939 0.573 826 HB2 PRO 117 1HB PRO 117 111.175 -21.720 -1.564 827 HB3 PRO 117 2HB PRO 117 109.439 -22.034 -1.735 828 HG2 PRO 117 1HG PRO 117 110.881 -19.727 -2.549 829 HG3 PRO 117 2HG PRO 117 109.141 -20.027 -2.666 830 HD2 PRO 117 1HD PRO 117 110.639 -18.489 -0.601 831 HD3 PRO 117 2HD PRO 117 108.961 -18.291 -1.164 832 H MET 118 H MET 118 111.812 -22.889 0.569 833 HA MET 118 HA MET 118 113.248 -21.610 2.636 834 HB2 MET 118 1HB MET 118 114.113 -23.762 0.693 835 HB3 MET 118 2HB MET 118 115.018 -23.290 2.132 836 HG2 MET 118 1HG MET 118 112.974 -23.808 3.504 837 HG3 MET 118 2HG MET 118 112.221 -24.453 2.047 838 HE1 MET 118 3HE MET 118 114.224 -27.426 1.018 839 HE2 MET 118 1HE MET 118 115.014 -25.889 0.641 840 HE3 MET 118 2HE MET 118 113.260 -26.030 0.542 841 H GLU 119 H GLU 119 115.327 -20.650 2.606 842 HA GLU 119 HA GLU 119 117.107 -19.451 1.842 843 HB2 GLU 119 1HB GLU 119 116.413 -20.686 -0.838 844 HB3 GLU 119 2HB GLU 119 117.923 -19.873 -0.445 845 HG2 GLU 119 1HG GLU 119 118.312 -21.515 1.377 846 HG3 GLU 119 2HG GLU 119 116.852 -22.365 0.892 847 H ASN 120 H ASN 120 117.508 -18.013 -0.524 848 HA ASN 120 HA ASN 120 116.270 -15.600 0.101 849 HB2 ASN 120 1HB ASN 120 117.647 -16.420 -2.454 850 HB3 ASN 120 2HB ASN 120 117.323 -14.766 -1.941 851 HD21 ASN 120 1HD2 ASN 120 117.989 -14.902 0.798 852 HD22 ASN 120 2HD2 ASN 120 119.639 -15.268 0.954 853 H VAL 121 H VAL 121 114.838 -18.155 -1.579 854 HA VAL 121 HA VAL 121 113.672 -16.637 -3.713 855 HB VAL 121 HB VAL 121 112.929 -19.448 -2.877 856 HG11 VAL 121 1HG1 VAL 121 111.414 -18.808 -4.539 857 HG12 VAL 121 2HG1 VAL 121 112.701 -19.515 -5.507 858 HG13 VAL 121 3HG1 VAL 121 112.582 -17.763 -5.343 859 HG21 VAL 121 3HG2 VAL 121 114.646 -20.217 -4.483 860 HG22 VAL 121 1HG2 VAL 121 115.381 -19.308 -3.161 861 HG23 VAL 121 2HG2 VAL 121 115.157 -18.549 -4.736 862 H ALA 122 H ALA 122 112.882 -16.032 -0.722 863 HA ALA 122 HA ALA 122 109.966 -16.398 -1.030 864 HB1 ALA 122 1HB ALA 122 110.648 -17.230 1.079 865 HB2 ALA 122 2HB ALA 122 110.017 -15.619 1.424 866 HB3 ALA 122 3HB ALA 122 111.759 -15.883 1.340 867 H LEU 123 H LEU 123 108.584 -14.634 -1.035 868 HA LEU 123 HA LEU 123 109.926 -12.015 -1.434 869 HB2 LEU 123 1HB LEU 123 107.655 -13.202 -3.044 870 HB3 LEU 123 2HB LEU 123 108.294 -11.569 -3.230 871 HG LEU 123 HG LEU 123 110.603 -12.843 -3.489 872 HD11 LEU 123 1HD1 LEU 123 110.063 -15.087 -3.142 873 HD12 LEU 123 2HD1 LEU 123 109.985 -14.979 -4.900 874 HD13 LEU 123 3HD1 LEU 123 108.501 -14.941 -3.948 875 HD21 LEU 123 3HD2 LEU 123 110.344 -12.721 -5.871 876 HD22 LEU 123 1HD2 LEU 123 109.328 -11.447 -5.197 877 HD23 LEU 123 2HD2 LEU 123 108.599 -12.952 -5.758 878 H ASP 124 H ASP 124 108.827 -10.186 -0.812 879 HA ASP 124 HA ASP 124 106.248 -10.549 0.588 880 HB2 ASP 124 1HB ASP 124 108.175 -10.433 2.197 881 HB3 ASP 124 2HB ASP 124 108.535 -8.827 1.571 882 H PHE 125 H PHE 125 104.754 -8.982 0.179 883 HA PHE 125 HA PHE 125 105.648 -6.590 -1.341 884 HB2 PHE 125 1HB PHE 125 104.324 -8.217 -2.695 885 HB3 PHE 125 2HB PHE 125 103.000 -8.028 -1.561 886 HD1 PHE 125 HD1 PHE 125 101.673 -5.971 -1.504 887 HD2 PHE 125 HD2 PHE 125 104.925 -6.458 -4.268 888 HE1 PHE 125 HE1 PHE 125 100.864 -4.018 -2.800 889 HE2 PHE 125 HE2 PHE 125 104.115 -4.504 -5.565 890 HZ PHE 125 HZ PHE 125 102.085 -3.286 -4.831 891 H SER 126 H SER 126 105.074 -4.637 -0.462 892 HA SER 126 HA SER 126 103.010 -4.624 1.646 893 HB2 SER 126 1HB SER 126 105.815 -3.544 2.000 894 HB3 SER 126 2HB SER 126 104.493 -3.364 3.147 895 HG SER 126 HG SER 126 106.183 -5.352 2.964 896 H TYR 127 H TYR 127 102.096 -2.590 2.070 897 HA TYR 127 HA TYR 127 102.946 -0.364 0.321 898 HB2 TYR 127 1HB TYR 127 100.656 0.275 -0.009 899 HB3 TYR 127 2HB TYR 127 100.835 -1.403 -0.483 900 HD1 TYR 127 HD2 TYR 127 99.786 -3.195 0.821 901 HD2 TYR 127 HD1 TYR 127 99.371 0.928 1.952 902 HE1 TYR 127 HE2 TYR 127 97.925 -3.801 2.343 903 HE2 TYR 127 HE1 TYR 127 97.510 0.322 3.474 904 HH TYR 127 HH TYR 127 96.594 -1.527 4.612 905 H GLU 128 H GLU 128 102.876 1.679 1.268 906 HA GLU 128 HA GLU 128 102.214 1.784 4.146 907 HB2 GLU 128 1HB GLU 128 104.753 2.815 2.856 908 HB3 GLU 128 2HB GLU 128 104.264 3.135 4.519 909 HG2 GLU 128 1HG GLU 128 105.725 1.292 4.701 910 HG3 GLU 128 2HG GLU 128 104.118 0.581 4.781 911 H GLN 129 H GLN 129 101.499 3.773 4.890 912 HA GLN 129 HA GLN 129 101.129 5.888 2.852 913 HB2 GLN 129 1HB GLN 129 99.023 4.591 3.188 914 HB3 GLN 129 2HB GLN 129 99.052 5.059 4.890 915 HG2 GLN 129 1HG GLN 129 99.099 7.460 4.173 916 HG3 GLN 129 2HG GLN 129 98.898 6.924 2.506 917 HE21 GLN 129 1HE2 GLN 129 96.764 7.333 1.945 918 HE22 GLN 129 2HE2 GLN 129 95.416 6.956 2.907 919 H SER 130 H SER 130 101.623 7.849 3.458 920 HA SER 130 HA SER 130 102.122 8.435 6.304 921 HB2 SER 130 1HB SER 130 103.904 8.917 4.484 922 HB3 SER 130 2HB SER 130 102.844 10.233 3.995 923 HG SER 130 HG SER 130 103.725 9.819 6.661 924 H ARG 131 H ARG 131 101.167 10.378 7.187 925 HA ARG 131 HA ARG 131 98.387 10.310 6.305 926 HB2 ARG 131 1HB ARG 131 97.858 11.102 8.547 927 HB3 ARG 131 2HB ARG 131 98.950 9.725 8.646 928 HG2 ARG 131 1HG ARG 131 100.865 11.348 8.856 929 HG3 ARG 131 2HG ARG 131 99.677 12.651 8.955 930 HD2 ARG 131 1HD ARG 131 98.638 11.495 10.909 931 HD3 ARG 131 2HD ARG 131 99.927 10.299 10.847 932 HE ARG 131 HE ARG 131 101.333 12.579 11.015 933 HH11 ARG 131 1HH1 ARG 131 98.556 11.507 12.879 934 HH12 ARG 131 2HH1 ARG 131 99.035 12.395 14.287 935 HH21 ARG 131 1HH2 ARG 131 101.894 13.700 12.858 936 HH22 ARG 131 2HH2 ARG 131 100.901 13.621 14.274 937 H ILE 132 H ILE 132 97.079 12.425 6.383 938 HA ILE 132 HA ILE 132 98.623 13.442 4.147 939 HB ILE 132 HB ILE 132 95.655 13.620 4.710 940 HG12 ILE 132 1HG1 ILE 132 97.130 11.786 2.799 941 HG13 ILE 132 2HG1 ILE 132 96.663 11.292 4.425 942 HG21 ILE 132 1HG2 ILE 132 95.580 14.010 2.198 943 HG22 ILE 132 2HG2 ILE 132 97.327 14.230 2.255 944 HG23 ILE 132 3HG2 ILE 132 96.271 15.335 3.131 945 HD11 ILE 132 3HD1 ILE 132 94.868 12.054 2.122 946 HD12 ILE 132 1HD1 ILE 132 94.285 12.036 3.787 947 HD13 ILE 132 2HD1 ILE 132 94.884 10.552 3.048 948 H ARG 133 H ARG 133 99.817 15.095 4.821 949 HA ARG 133 HA ARG 133 98.547 17.663 5.372 950 HB2 ARG 133 1HB ARG 133 101.373 16.941 4.521 951 HB3 ARG 133 2HB ARG 133 100.821 18.559 4.954 952 HG2 ARG 133 1HG ARG 133 100.190 17.706 7.208 953 HG3 ARG 133 2HG ARG 133 100.855 16.132 6.771 954 HD2 ARG 133 1HD ARG 133 103.048 17.285 6.296 955 HD3 ARG 133 2HD ARG 133 102.355 18.755 6.972 956 HE ARG 133 HE ARG 133 102.620 17.850 9.084 957 HH11 ARG 133 1HH1 ARG 133 102.905 15.251 6.742 958 HH12 ARG 133 2HH1 ARG 133 103.395 14.094 7.937 959 HH21 ARG 133 1HH2 ARG 133 103.257 16.319 10.575 960 HH22 ARG 133 2HH2 ARG 133 103.592 14.693 10.078 961 H SER 134 H SER 134 99.544 19.346 3.486 962 HA SER 134 HA SER 134 97.785 19.028 1.363 963 HB2 SER 134 1HB SER 134 98.965 20.838 0.277 964 HB3 SER 134 2HB SER 134 98.910 21.149 2.009 965 HG SER 134 HG SER 134 101.009 21.424 0.967 966 H VAL 135 H VAL 135 100.866 17.427 1.734 967 HA VAL 135 HA VAL 135 100.372 16.199 -0.917 968 HB VAL 135 HB VAL 135 102.543 17.364 -0.828 969 HG11 VAL 135 1HG1 VAL 135 103.339 15.389 1.319 970 HG12 VAL 135 2HG1 VAL 135 102.786 17.022 1.694 971 HG13 VAL 135 3HG1 VAL 135 104.248 16.785 0.736 972 HG21 VAL 135 3HG2 VAL 135 103.181 14.431 -0.676 973 HG22 VAL 135 1HG2 VAL 135 103.754 15.636 -1.829 974 HG23 VAL 135 2HG2 VAL 135 102.104 15.023 -1.941 975 H ASP 136 H ASP 136 99.962 14.055 -0.941 976 HA ASP 136 HA ASP 136 100.036 12.609 1.637 977 HB2 ASP 136 1HB ASP 136 98.231 11.223 0.750 978 HB3 ASP 136 2HB ASP 136 97.781 12.922 0.681 979 H VAL 137 H VAL 137 100.981 10.505 1.731 980 HA VAL 137 HA VAL 137 102.762 10.011 -0.606 981 HB VAL 137 HB VAL 137 103.228 9.144 2.247 982 HG11 VAL 137 1HG1 VAL 137 104.386 7.786 0.592 983 HG12 VAL 137 2HG1 VAL 137 105.553 8.834 1.399 984 HG13 VAL 137 3HG1 VAL 137 104.984 9.233 -0.221 985 HG21 VAL 137 3HG2 VAL 137 103.279 11.595 2.140 986 HG22 VAL 137 1HG2 VAL 137 104.329 11.531 0.722 987 HG23 VAL 137 2HG2 VAL 137 104.925 10.978 2.287 988 H GLY 138 H GLY 138 102.621 8.169 -1.678 989 HA2 GLY 138 1HA GLY 138 101.431 5.809 -0.334 990 HA3 GLY 138 2HA GLY 138 101.135 6.173 -2.036 991 H THR 139 H THR 139 102.867 4.138 -0.176 992 HA THR 139 HA THR 139 105.189 4.135 -2.025 993 HB THR 139 HB THR 139 105.254 3.423 0.913 994 HG1 THR 139 HG1 THR 139 105.029 5.602 0.789 995 HG21 THR 139 3HG2 THR 139 107.653 3.338 0.592 996 HG22 THR 139 1HG2 THR 139 107.493 3.887 -1.076 997 HG23 THR 139 2HG2 THR 139 106.899 2.293 -0.610 998 H TRP 140 H TRP 140 105.636 2.242 -2.981 999 HA TRP 140 HA TRP 140 104.320 -0.210 -1.942 1000 HB2 TRP 140 1HB TRP 140 105.158 0.486 -4.764 1001 HB3 TRP 140 2HB TRP 140 104.519 -1.067 -4.262 1002 HD1 TRP 140 HD1 TRP 140 103.514 2.351 -5.359 1003 HE1 TRP 140 HE1 TRP 140 100.944 2.551 -5.377 1004 HE3 TRP 140 HE3 TRP 140 102.281 -1.947 -2.894 1005 HZ2 TRP 140 HZ2 TRP 140 98.663 1.078 -4.465 1006 HZ3 TRP 140 HZ3 TRP 140 99.909 -2.525 -2.485 1007 HH2 TRP 140 HH2 TRP 140 98.099 -1.021 -3.264 1008 H ILE 141 H ILE 141 105.643 -1.959 -1.477 1009 HA ILE 141 HA ILE 141 108.542 -1.583 -1.982 1010 HB ILE 141 HB ILE 141 107.279 -2.704 0.535 1011 HG12 ILE 141 1HG1 ILE 141 108.731 -0.075 0.126 1012 HG13 ILE 141 2HG1 ILE 141 106.979 -0.225 0.241 1013 HG21 ILE 141 1HG2 ILE 141 109.538 -3.604 -0.139 1014 HG22 ILE 141 2HG2 ILE 141 109.536 -2.743 1.401 1015 HG23 ILE 141 3HG2 ILE 141 110.158 -1.954 -0.048 1016 HD11 ILE 141 3HD1 ILE 141 109.051 -0.749 2.367 1017 HD12 ILE 141 1HD1 ILE 141 107.441 -1.454 2.476 1018 HD13 ILE 141 2HD1 ILE 141 107.634 0.298 2.446 1019 H ALA 142 H ALA 142 109.582 -3.290 -2.805 1020 HA ALA 142 HA ALA 142 108.306 -5.964 -2.606 1021 HB1 ALA 142 1HB ALA 142 108.231 -5.125 -4.930 1022 HB2 ALA 142 2HB ALA 142 109.316 -6.507 -4.783 1023 HB3 ALA 142 3HB ALA 142 109.977 -4.876 -4.893 1024 H GLY 143 H GLY 143 109.546 -7.413 -1.527 1025 HA2 GLY 143 1HA GLY 143 112.452 -6.866 -1.304 1026 HA3 GLY 143 2HA GLY 143 111.478 -7.188 0.123 1027 H VAL 144 H VAL 144 113.761 -8.638 -0.842 1028 HA VAL 144 HA VAL 144 112.542 -11.306 -1.240 1029 HB VAL 144 HB VAL 144 115.192 -10.308 -2.334 1030 HG11 VAL 144 1HG1 VAL 144 115.228 -12.486 -3.501 1031 HG12 VAL 144 2HG1 VAL 144 113.736 -12.946 -2.679 1032 HG13 VAL 144 3HG1 VAL 144 115.214 -12.700 -1.751 1033 HG21 VAL 144 3HG2 VAL 144 114.146 -10.418 -4.517 1034 HG22 VAL 144 1HG2 VAL 144 113.133 -9.415 -3.482 1035 HG23 VAL 144 2HG2 VAL 144 112.666 -11.080 -3.825 1036 H GLY 145 H GLY 145 113.346 -12.922 0.127 1037 HA2 GLY 145 1HA GLY 145 115.637 -12.343 1.829 1038 HA3 GLY 145 2HA GLY 145 114.085 -12.384 2.650 1039 H TYR 146 H TYR 146 115.764 -14.056 3.618 1040 HA TYR 146 HA TYR 146 114.761 -16.680 2.760 1041 HB2 TYR 146 1HB TYR 146 116.913 -17.708 2.998 1042 HB3 TYR 146 2HB TYR 146 117.068 -16.376 1.875 1043 HD1 TYR 146 HD2 TYR 146 118.347 -14.368 2.473 1044 HD2 TYR 146 HD1 TYR 146 117.953 -17.667 5.196 1045 HE1 TYR 146 HE2 TYR 146 120.202 -13.458 3.845 1046 HE2 TYR 146 HE1 TYR 146 119.808 -16.755 6.568 1047 HH TYR 146 HH TYR 146 120.865 -13.708 6.436 1048 H ARG 147 H ARG 147 115.025 -18.321 4.505 1049 HA ARG 147 HA ARG 147 114.809 -17.069 7.185 1050 HB2 ARG 147 1HB ARG 147 112.646 -17.917 6.268 1051 HB3 ARG 147 2HB ARG 147 113.357 -19.529 6.184 1052 HG2 ARG 147 1HG ARG 147 113.741 -19.525 8.598 1053 HG3 ARG 147 2HG ARG 147 113.121 -17.878 8.716 1054 HD2 ARG 147 1HD ARG 147 111.330 -19.361 9.346 1055 HD3 ARG 147 2HD ARG 147 110.947 -18.713 7.754 1056 HE ARG 147 HE ARG 147 112.359 -21.264 7.793 1057 HH11 ARG 147 1HH1 ARG 147 109.253 -19.651 7.541 1058 HH12 ARG 147 2HH1 ARG 147 108.486 -21.023 6.815 1059 HH21 ARG 147 1HH2 ARG 147 111.318 -23.000 6.855 1060 HH22 ARG 147 2HH2 ARG 147 109.641 -22.896 6.433 1061 H PHE 148 H PHE 148 115.663 -18.212 8.945 1062 HA PHE 148 HA PHE 148 117.208 -19.514 10.028 1063 HB2 PHE 148 1HB PHE 148 115.642 -21.292 9.288 1064 HB3 PHE 148 2HB PHE 148 116.593 -21.488 7.830 1065 HD1 PHE 148 HD1 PHE 148 116.609 -21.860 11.519 1066 HD2 PHE 148 HD2 PHE 148 118.640 -22.737 7.835 1067 HE1 PHE 148 HE1 PHE 148 118.075 -23.467 12.709 1068 HE2 PHE 148 HE2 PHE 148 120.106 -24.343 9.027 1069 HZ PHE 148 HZ PHE 148 119.823 -24.708 11.465 Start of MODEL 5 1 H1 ALA 1 3H ALA 1 119.625 -19.211 17.464 2 H2 ALA 1 2H ALA 1 119.051 -20.804 17.323 3 H3 ALA 1 HT3 ALA 1 118.954 -19.992 18.813 4 HA ALA 1 HA ALA 1 116.796 -20.078 17.711 5 HB1 ALA 1 2HB ALA 1 116.956 -18.222 19.126 6 HB2 ALA 1 3HB ALA 1 116.557 -17.469 17.583 7 HB3 ALA 1 1HB ALA 1 118.224 -17.470 18.159 8 H THR 2 H THR 2 115.547 -18.669 16.020 9 HA THR 2 HA THR 2 117.042 -18.700 13.460 10 HB THR 2 HB THR 2 114.972 -19.440 12.369 11 HG1 THR 2 HG1 THR 2 113.400 -20.274 14.089 12 HG21 THR 2 3HG2 THR 2 114.889 -21.731 13.372 13 HG22 THR 2 1HG2 THR 2 115.861 -21.137 14.718 14 HG23 THR 2 2HG2 THR 2 116.534 -21.159 13.090 15 H SER 3 H SER 3 116.127 -17.275 11.799 16 HA SER 3 HA SER 3 114.404 -15.112 12.592 17 HB2 SER 3 1HB SER 3 116.036 -13.332 12.538 18 HB3 SER 3 2HB SER 3 116.567 -14.524 13.719 19 HG SER 3 HG SER 3 118.335 -14.281 12.520 20 H THR 4 H THR 4 114.260 -13.451 10.830 21 HA THR 4 HA THR 4 115.074 -14.531 8.195 22 HB THR 4 HB THR 4 112.421 -13.207 8.809 23 HG1 THR 4 HG1 THR 4 112.162 -15.170 9.612 24 HG21 THR 4 3HG2 THR 4 113.356 -14.691 6.341 25 HG22 THR 4 1HG2 THR 4 113.402 -12.934 6.498 26 HG23 THR 4 2HG2 THR 4 111.858 -13.784 6.539 27 H VAL 5 H VAL 5 115.818 -13.052 6.746 28 HA VAL 5 HA VAL 5 115.746 -10.194 7.542 29 HB VAL 5 HB VAL 5 118.055 -9.968 6.689 30 HG11 VAL 5 1HG1 VAL 5 117.791 -12.116 8.812 31 HG12 VAL 5 2HG1 VAL 5 117.586 -10.390 9.105 32 HG13 VAL 5 3HG1 VAL 5 119.154 -11.018 8.596 33 HG21 VAL 5 3HG2 VAL 5 118.207 -11.795 5.133 34 HG22 VAL 5 1HG2 VAL 5 117.796 -12.971 6.381 35 HG23 VAL 5 2HG2 VAL 5 119.352 -12.144 6.428 36 H THR 6 H THR 6 115.086 -8.852 5.970 37 HA THR 6 HA THR 6 114.999 -9.878 3.192 38 HB THR 6 HB THR 6 112.807 -8.305 4.567 39 HG1 THR 6 HG1 THR 6 113.222 -11.038 4.070 40 HG21 THR 6 3HG2 THR 6 113.223 -9.391 1.794 41 HG22 THR 6 1HG2 THR 6 112.659 -7.794 2.286 42 HG23 THR 6 2HG2 THR 6 111.594 -9.191 2.439 43 H GLY 7 H GLY 7 115.444 -8.414 1.598 44 HA2 GLY 7 1HA GLY 7 115.781 -5.578 2.371 45 HA3 GLY 7 2HA GLY 7 117.060 -6.412 1.480 46 H GLY 8 H GLY 8 115.140 -4.127 0.763 47 HA2 GLY 8 1HA GLY 8 114.518 -5.057 -1.907 48 HA3 GLY 8 2HA GLY 8 113.097 -4.829 -0.898 49 H TYR 9 H TYR 9 112.632 -3.293 -2.672 50 HA TYR 9 HA TYR 9 113.835 -0.644 -2.137 51 HB2 TYR 9 1HB TYR 9 113.880 -0.133 -4.476 52 HB3 TYR 9 2HB TYR 9 114.765 -1.623 -4.219 53 HD1 TYR 9 HD1 TYR 9 111.758 -0.088 -5.669 54 HD2 TYR 9 HD2 TYR 9 113.904 -3.758 -5.055 55 HE1 TYR 9 HE1 TYR 9 110.347 -1.199 -7.381 56 HE2 TYR 9 HE2 TYR 9 112.493 -4.870 -6.765 57 HH TYR 9 HH TYR 9 109.665 -3.339 -8.091 58 H ALA 10 H ALA 10 112.449 1.141 -2.717 59 HA ALA 10 HA ALA 10 109.580 0.462 -2.837 60 HB1 ALA 10 1HB ALA 10 110.417 2.700 -1.052 61 HB2 ALA 10 2HB ALA 10 110.706 1.062 -0.482 62 HB3 ALA 10 3HB ALA 10 109.070 1.572 -0.899 63 H GLN 11 H GLN 11 108.272 1.962 -3.823 64 HA GLN 11 HA GLN 11 109.563 4.425 -4.863 65 HB2 GLN 11 1HB GLN 11 107.454 2.770 -6.277 66 HB3 GLN 11 2HB GLN 11 108.229 4.228 -6.889 67 HG2 GLN 11 1HG GLN 11 109.612 1.596 -6.286 68 HG3 GLN 11 2HG GLN 11 109.252 2.233 -7.888 69 HE21 GLN 11 1HE2 GLN 11 111.852 1.776 -6.053 70 HE22 GLN 11 2HE2 GLN 11 112.747 3.180 -6.385 71 H SER 12 H SER 12 108.477 6.279 -4.392 72 HA SER 12 HA SER 12 105.745 5.998 -3.252 73 HB2 SER 12 1HB SER 12 107.812 8.095 -2.562 74 HB3 SER 12 2HB SER 12 106.233 7.884 -1.818 75 HG SER 12 HG SER 12 108.445 6.100 -1.779 76 H ASP 13 H ASP 13 104.196 7.432 -3.867 77 HA ASP 13 HA ASP 13 104.555 8.523 -6.510 78 HB2 ASP 13 1HB ASP 13 102.491 7.336 -5.810 79 HB3 ASP 13 2HB ASP 13 102.143 8.650 -4.689 80 H ALA 14 H ALA 14 105.095 10.506 -7.019 81 HA ALA 14 HA ALA 14 104.928 12.632 -4.979 82 HB1 ALA 14 1HB ALA 14 107.159 12.503 -5.675 83 HB2 ALA 14 2HB ALA 14 106.508 13.796 -6.681 84 HB3 ALA 14 3HB ALA 14 106.719 12.177 -7.350 85 H GLN 15 H GLN 15 103.892 14.548 -5.412 86 HA GLN 15 HA GLN 15 102.020 14.527 -7.659 87 HB2 GLN 15 1HB GLN 15 101.292 15.140 -5.337 88 HB3 GLN 15 2HB GLN 15 102.331 16.560 -5.435 89 HG2 GLN 15 1HG GLN 15 101.071 17.284 -7.469 90 HG3 GLN 15 2HG GLN 15 99.976 15.923 -7.233 91 HE21 GLN 15 1HE2 GLN 15 98.104 16.546 -6.163 92 HE22 GLN 15 2HE2 GLN 15 98.012 17.762 -4.983 93 H GLY 16 H GLY 16 101.901 16.301 -9.175 94 HA2 GLY 16 1HA GLY 16 104.314 16.772 -10.430 95 HA3 GLY 16 2HA GLY 16 102.867 17.732 -10.705 96 H GLN 17 H GLN 17 105.995 17.734 -9.660 97 HA GLN 17 HA GLN 17 106.398 20.417 -9.181 98 HB2 GLN 17 1HB GLN 17 104.907 20.110 -7.166 99 HB3 GLN 17 2HB GLN 17 106.059 18.926 -6.558 100 HG2 GLN 17 1HG GLN 17 106.626 20.981 -5.506 101 HG3 GLN 17 2HG GLN 17 107.833 20.751 -6.766 102 HE21 GLN 17 1HE2 GLN 17 108.158 22.565 -8.051 103 HE22 GLN 17 2HE2 GLN 17 107.010 23.785 -8.323 104 H MET 18 H MET 18 107.119 17.319 -7.636 105 HA MET 18 HA MET 18 109.948 17.575 -8.451 106 HB2 MET 18 1HB MET 18 108.862 16.490 -5.839 107 HB3 MET 18 2HB MET 18 110.547 16.383 -6.351 108 HG2 MET 18 1HG MET 18 110.574 18.890 -6.555 109 HG3 MET 18 2HG MET 18 108.964 18.914 -5.839 110 HE1 MET 18 3HE MET 18 108.338 17.888 -3.667 111 HE2 MET 18 1HE MET 18 109.426 17.426 -2.353 112 HE3 MET 18 2HE MET 18 109.249 16.382 -3.762 113 H ASN 19 H ASN 19 111.006 15.277 -8.222 114 HA ASN 19 HA ASN 19 109.319 13.500 -9.822 115 HB2 ASN 19 1HB ASN 19 112.269 13.409 -9.151 116 HB3 ASN 19 2HB ASN 19 111.440 12.257 -10.197 117 HD21 ASN 19 1HD2 ASN 19 113.593 14.055 -11.058 118 HD22 ASN 19 2HD2 ASN 19 112.930 15.086 -12.233 119 H LYS 20 H LYS 20 109.386 11.159 -9.388 120 HA LYS 20 HA LYS 20 108.344 10.480 -6.933 121 HB2 LYS 20 1HB LYS 20 108.643 8.167 -7.586 122 HB3 LYS 20 2HB LYS 20 108.177 9.118 -8.992 123 HG2 LYS 20 1HG LYS 20 110.594 9.273 -9.629 124 HG3 LYS 20 2HG LYS 20 110.977 8.193 -8.287 125 HD2 LYS 20 1HD LYS 20 109.334 6.539 -9.300 126 HD3 LYS 20 2HD LYS 20 109.297 7.577 -10.726 127 HE2 LYS 20 1HE LYS 20 110.960 5.933 -11.187 128 HE3 LYS 20 2HE LYS 20 111.848 7.390 -10.751 129 HZ1 LYS 20 3HZ LYS 20 111.946 6.512 -8.449 130 HZ2 LYS 20 1HZ LYS 20 112.787 5.563 -9.576 131 HZ3 LYS 20 2HZ LYS 20 111.266 5.058 -9.012 132 H MET 21 H MET 21 109.223 8.900 -5.311 133 HA MET 21 HA MET 21 112.003 9.695 -4.597 134 HB2 MET 21 1HB MET 21 109.677 9.014 -2.778 135 HB3 MET 21 2HB MET 21 111.303 9.443 -2.249 136 HG2 MET 21 1HG MET 21 111.060 11.630 -3.446 137 HG3 MET 21 2HG MET 21 109.387 11.207 -3.798 138 HE1 MET 21 3HE MET 21 111.309 11.157 0.234 139 HE2 MET 21 1HE MET 21 111.648 12.715 -0.523 140 HE3 MET 21 2HE MET 21 112.058 11.220 -1.360 141 H GLY 22 H GLY 22 113.410 8.096 -3.857 142 HA2 GLY 22 1HA GLY 22 112.462 5.313 -4.273 143 HA3 GLY 22 2HA GLY 22 114.106 5.865 -4.588 144 H GLY 23 H GLY 23 112.857 3.806 -2.686 145 HA2 GLY 23 1HA GLY 23 114.298 4.715 -0.265 146 HA3 GLY 23 2HA GLY 23 112.690 4.013 -0.143 147 H PHE 24 H PHE 24 115.455 3.191 0.808 148 HA PHE 24 HA PHE 24 115.406 0.423 -0.254 149 HB2 PHE 24 1HB PHE 24 117.604 1.907 1.202 150 HB3 PHE 24 2HB PHE 24 117.681 0.228 0.701 151 HD1 PHE 24 HD1 PHE 24 117.780 -0.351 -1.720 152 HD2 PHE 24 HD2 PHE 24 117.946 3.712 -0.338 153 HE1 PHE 24 HE1 PHE 24 118.656 0.362 -3.927 154 HE2 PHE 24 HE2 PHE 24 118.824 4.427 -2.547 155 HZ PHE 24 HZ PHE 24 119.178 2.752 -4.341 156 H ASN 25 H ASN 25 115.065 -1.268 1.183 157 HA ASN 25 HA ASN 25 114.446 -0.478 3.979 158 HB2 ASN 25 1HB ASN 25 112.899 -2.438 2.270 159 HB3 ASN 25 2HB ASN 25 112.525 -1.967 3.926 160 HD21 ASN 25 1HD2 ASN 25 112.749 0.787 3.897 161 HD22 ASN 25 2HD2 ASN 25 111.674 1.458 2.770 162 H LEU 26 H LEU 26 115.319 -1.694 5.511 163 HA LEU 26 HA LEU 26 116.284 -4.415 4.827 164 HB2 LEU 26 1HB LEU 26 117.322 -2.561 6.989 165 HB3 LEU 26 2HB LEU 26 117.952 -4.158 6.592 166 HG LEU 26 HG LEU 26 117.894 -1.806 4.680 167 HD11 LEU 26 1HD1 LEU 26 120.293 -1.665 5.052 168 HD12 LEU 26 2HD1 LEU 26 120.243 -3.059 6.130 169 HD13 LEU 26 3HD1 LEU 26 119.475 -1.545 6.609 170 HD21 LEU 26 3HD2 LEU 26 119.538 -3.352 3.451 171 HD22 LEU 26 1HD2 LEU 26 117.839 -3.825 3.412 172 HD23 LEU 26 2HD2 LEU 26 118.956 -4.633 4.513 173 H LYS 27 H LYS 27 115.726 -6.099 6.265 174 HA LYS 27 HA LYS 27 113.696 -5.374 8.305 175 HB2 LYS 27 1HB LYS 27 113.552 -7.750 6.443 176 HB3 LYS 27 2HB LYS 27 112.346 -7.260 7.625 177 HG2 LYS 27 1HG LYS 27 113.194 -5.600 5.233 178 HG3 LYS 27 2HG LYS 27 111.732 -6.583 5.309 179 HD2 LYS 27 1HD LYS 27 111.032 -5.260 7.332 180 HD3 LYS 27 2HD LYS 27 112.412 -4.196 7.046 181 HE2 LYS 27 1HE LYS 27 110.570 -3.135 5.967 182 HE3 LYS 27 2HE LYS 27 111.498 -3.893 4.673 183 HZ1 LYS 27 3HZ LYS 27 108.915 -4.689 5.823 184 HZ2 LYS 27 1HZ LYS 27 109.922 -5.883 5.160 185 HZ3 LYS 27 2HZ LYS 27 109.386 -4.592 4.194 186 H TYR 28 H TYR 28 113.774 -6.486 10.196 187 HA TYR 28 HA TYR 28 115.388 -8.963 10.312 188 HB2 TYR 28 1HB TYR 28 116.601 -7.064 11.368 189 HB3 TYR 28 2HB TYR 28 115.242 -6.829 12.448 190 HD1 TYR 28 HD1 TYR 28 118.006 -9.107 11.516 191 HD2 TYR 28 HD2 TYR 28 114.902 -8.251 14.361 192 HE1 TYR 28 HE1 TYR 28 118.986 -10.760 13.082 193 HE2 TYR 28 HE2 TYR 28 115.882 -9.906 15.926 194 HH TYR 28 HH TYR 28 117.348 -11.654 16.072 195 H ARG 29 H ARG 29 114.340 -10.660 11.271 196 HA ARG 29 HA ARG 29 111.895 -10.097 12.814 197 HB2 ARG 29 1HB ARG 29 111.255 -10.487 10.445 198 HB3 ARG 29 2HB ARG 29 112.021 -12.073 10.529 199 HG2 ARG 29 1HG ARG 29 110.502 -12.705 12.372 200 HG3 ARG 29 2HG ARG 29 109.717 -11.132 12.264 201 HD2 ARG 29 1HD ARG 29 109.164 -11.645 9.871 202 HD3 ARG 29 2HD ARG 29 109.818 -13.261 10.110 203 HE ARG 29 HE ARG 29 107.274 -12.269 11.037 204 HH11 ARG 29 1HH1 ARG 29 109.773 -14.652 11.664 205 HH12 ARG 29 2HH1 ARG 29 108.680 -15.728 12.467 206 HH21 ARG 29 1HH2 ARG 29 105.919 -13.693 12.088 207 HH22 ARG 29 2HH2 ARG 29 106.529 -15.190 12.711 208 H TYR 30 H TYR 30 111.410 -11.577 14.412 209 HA TYR 30 HA TYR 30 113.332 -13.814 14.747 210 HB2 TYR 30 1HB TYR 30 113.140 -12.046 16.561 211 HB3 TYR 30 2HB TYR 30 111.505 -12.619 16.834 212 HD1 TYR 30 HD2 TYR 30 115.084 -13.375 17.171 213 HD2 TYR 30 HD1 TYR 30 111.095 -14.805 17.861 214 HE1 TYR 30 HE2 TYR 30 115.976 -15.132 18.679 215 HE2 TYR 30 HE1 TYR 30 111.982 -16.561 19.367 216 HH TYR 30 HH TYR 30 115.384 -16.642 20.290 217 H GLU 31 H GLU 31 112.513 -15.912 15.044 218 HA GLU 31 HA GLU 31 109.808 -16.219 13.973 219 HB2 GLU 31 1HB GLU 31 111.734 -17.474 12.986 220 HB3 GLU 31 2HB GLU 31 111.866 -18.364 14.504 221 HG2 GLU 31 1HG GLU 31 109.499 -19.087 14.257 222 HG3 GLU 31 2HG GLU 31 109.431 -18.266 12.704 223 H GLU 32 H GLU 32 108.124 -16.913 15.053 224 HA GLU 32 HA GLU 32 108.433 -18.224 17.644 225 HB2 GLU 32 1HB GLU 32 106.855 -15.670 17.275 226 HB3 GLU 32 2HB GLU 32 106.850 -16.672 18.729 227 HG2 GLU 32 1HG GLU 32 109.334 -16.390 18.867 228 HG3 GLU 32 2HG GLU 32 109.244 -15.275 17.511 229 H ASP 33 H ASP 33 106.496 -19.224 18.402 230 HA ASP 33 HA ASP 33 105.181 -20.566 16.237 231 HB2 ASP 33 1HB ASP 33 104.813 -20.771 19.234 232 HB3 ASP 33 2HB ASP 33 104.079 -21.853 18.053 233 H ASN 34 H ASN 34 102.702 -21.087 16.820 234 HA ASN 34 HA ASN 34 101.241 -18.951 15.868 235 HB2 ASN 34 1HB ASN 34 100.504 -21.326 15.905 236 HB3 ASN 34 2HB ASN 34 100.177 -21.165 17.629 237 HD21 ASN 34 1HD2 ASN 34 99.277 -19.708 14.464 238 HD22 ASN 34 2HD2 ASN 34 97.720 -19.246 14.955 239 H SER 35 H SER 35 101.941 -19.700 19.294 240 HA SER 35 HA SER 35 99.826 -17.871 20.130 241 HB2 SER 35 1HB SER 35 101.613 -19.803 21.560 242 HB3 SER 35 2HB SER 35 100.712 -18.586 22.456 243 HG SER 35 HG SER 35 98.835 -19.390 21.252 244 HA PRO 36 HA PRO 36 103.238 -14.968 20.971 245 HB2 PRO 36 1HB PRO 36 105.901 -15.805 20.437 246 HB3 PRO 36 2HB PRO 36 105.134 -15.638 22.023 247 HG2 PRO 36 1HG PRO 36 105.983 -18.010 20.848 248 HG3 PRO 36 2HG PRO 36 104.916 -17.853 22.254 249 HD2 PRO 36 1HD PRO 36 104.203 -18.375 19.404 250 HD3 PRO 36 2HD PRO 36 103.425 -18.980 20.882 251 H LEU 37 H LEU 37 103.261 -13.408 19.469 252 HA LEU 37 HA LEU 37 103.274 -14.079 16.669 253 HB2 LEU 37 1HB LEU 37 103.181 -11.360 17.998 254 HB3 LEU 37 2HB LEU 37 102.782 -11.715 16.318 255 HG LEU 37 HG LEU 37 101.341 -12.886 18.717 256 HD11 LEU 37 1HD1 LEU 37 100.631 -10.619 16.833 257 HD12 LEU 37 2HD1 LEU 37 100.851 -10.524 18.581 258 HD13 LEU 37 3HD1 LEU 37 99.472 -11.395 17.911 259 HD21 LEU 37 3HD2 LEU 37 101.067 -14.407 16.935 260 HD22 LEU 37 1HD2 LEU 37 101.032 -13.125 15.724 261 HD23 LEU 37 2HD2 LEU 37 99.650 -13.367 16.793 262 H GLY 38 H GLY 38 104.625 -12.908 15.064 263 HA2 GLY 38 1HA GLY 38 107.417 -13.140 15.899 264 HA3 GLY 38 2HA GLY 38 106.829 -12.958 14.245 265 H VAL 39 H VAL 39 108.912 -11.417 15.882 266 HA VAL 39 HA VAL 39 107.616 -8.751 15.913 267 HB VAL 39 HB VAL 39 110.224 -9.619 17.191 268 HG11 VAL 39 1HG1 VAL 39 110.168 -7.460 18.281 269 HG12 VAL 39 2HG1 VAL 39 108.580 -7.107 17.602 270 HG13 VAL 39 3HG1 VAL 39 109.991 -7.192 16.548 271 HG21 VAL 39 3HG2 VAL 39 108.895 -9.340 19.322 272 HG22 VAL 39 1HG2 VAL 39 108.392 -10.712 18.334 273 HG23 VAL 39 2HG2 VAL 39 107.441 -9.227 18.330 274 H ILE 40 H ILE 40 108.109 -7.381 14.307 275 HA ILE 40 HA ILE 40 110.605 -7.872 12.774 276 HB ILE 40 HB ILE 40 109.406 -7.074 10.775 277 HG12 ILE 40 1HG1 ILE 40 106.889 -7.250 12.448 278 HG13 ILE 40 2HG1 ILE 40 107.710 -5.722 12.130 279 HG21 ILE 40 1HG2 ILE 40 108.242 -9.409 12.302 280 HG22 ILE 40 2HG2 ILE 40 109.470 -9.442 11.037 281 HG23 ILE 40 3HG2 ILE 40 107.798 -9.059 10.632 282 HD11 ILE 40 3HD1 ILE 40 107.203 -5.761 9.864 283 HD12 ILE 40 1HD1 ILE 40 105.770 -6.529 10.546 284 HD13 ILE 40 2HD1 ILE 40 107.038 -7.517 9.820 285 H GLY 41 H GLY 41 111.813 -6.160 12.223 286 HA2 GLY 41 1HA GLY 41 110.815 -3.448 12.841 287 HA3 GLY 41 2HA GLY 41 112.425 -3.956 13.359 288 H SER 42 H SER 42 111.294 -1.954 11.279 289 HA SER 42 HA SER 42 112.997 -2.846 9.018 290 HB2 SER 42 1HB SER 42 110.407 -1.308 8.767 291 HB3 SER 42 2HB SER 42 111.410 -1.926 7.460 292 HG SER 42 HG SER 42 109.732 -3.275 9.259 293 H PHE 43 H PHE 43 114.319 -1.354 8.150 294 HA PHE 43 HA PHE 43 114.141 1.431 9.166 295 HB2 PHE 43 1HB PHE 43 116.587 -0.113 8.280 296 HB3 PHE 43 2HB PHE 43 116.567 1.565 8.790 297 HD1 PHE 43 HD1 PHE 43 116.007 2.128 11.180 298 HD2 PHE 43 HD2 PHE 43 116.633 -1.905 9.843 299 HE1 PHE 43 HE1 PHE 43 116.333 1.400 13.528 300 HE2 PHE 43 HE2 PHE 43 116.960 -2.633 12.191 301 HZ PHE 43 HZ PHE 43 116.808 -0.981 14.034 302 H THR 44 H THR 44 113.893 2.992 7.653 303 HA THR 44 HA THR 44 114.287 2.239 4.808 304 HB THR 44 HB THR 44 112.074 3.976 5.925 305 HG1 THR 44 HG1 THR 44 110.867 2.238 5.916 306 HG21 THR 44 3HG2 THR 44 112.904 3.084 3.177 307 HG22 THR 44 1HG2 THR 44 112.401 4.685 3.722 308 HG23 THR 44 2HG2 THR 44 111.204 3.405 3.520 309 H TYR 45 H TYR 45 115.433 3.606 3.620 310 HA TYR 45 HA TYR 45 115.817 6.387 4.587 311 HB2 TYR 45 1HB TYR 45 117.863 5.018 4.899 312 HB3 TYR 45 2HB TYR 45 117.855 4.649 3.184 313 HD1 TYR 45 HD1 TYR 45 118.319 7.318 5.705 314 HD2 TYR 45 HD2 TYR 45 118.636 6.247 1.558 315 HE1 TYR 45 HE1 TYR 45 119.628 9.379 5.273 316 HE2 TYR 45 HE2 TYR 45 119.946 8.308 1.126 317 HH TYR 45 HH TYR 45 121.520 9.872 2.820 318 H THR 46 H THR 46 115.576 7.983 3.028 319 HA THR 46 HA THR 46 114.614 7.008 0.400 320 HB THR 46 HB THR 46 114.006 9.693 1.626 321 HG1 THR 46 HG1 THR 46 112.529 7.275 1.794 322 HG21 THR 46 3HG2 THR 46 111.909 9.151 0.117 323 HG22 THR 46 1HG2 THR 46 113.030 8.054 -0.688 324 HG23 THR 46 2HG2 THR 46 113.389 9.779 -0.611 325 H GLU 47 H GLU 47 115.199 8.070 -1.483 326 HA GLU 47 HA GLU 47 117.481 9.933 -1.307 327 HB2 GLU 47 1HB GLU 47 118.279 7.601 -1.709 328 HB3 GLU 47 2HB GLU 47 117.304 7.558 -3.177 329 HG2 GLU 47 1HG GLU 47 118.547 9.551 -4.014 330 HG3 GLU 47 2HG GLU 47 119.565 9.486 -2.583 331 H LYS 48 H LYS 48 117.478 11.537 -2.805 332 HA LYS 48 HA LYS 48 115.589 11.358 -5.069 333 HB2 LYS 48 1HB LYS 48 116.043 13.790 -3.323 334 HB3 LYS 48 2HB LYS 48 115.049 13.742 -4.778 335 HG2 LYS 48 1HG LYS 48 113.708 11.892 -3.667 336 HG3 LYS 48 2HG LYS 48 114.582 12.263 -2.180 337 HD2 LYS 48 1HD LYS 48 112.982 14.282 -3.778 338 HD3 LYS 48 2HD LYS 48 112.388 13.456 -2.340 339 HE2 LYS 48 1HE LYS 48 113.205 15.388 -1.369 340 HE3 LYS 48 2HE LYS 48 114.657 14.390 -1.296 341 HZ1 LYS 48 3HZ LYS 48 114.299 15.809 -3.787 342 HZ2 LYS 48 1HZ LYS 48 115.684 15.639 -2.822 343 HZ3 LYS 48 2HZ LYS 48 114.522 16.816 -2.439 344 H SER 49 H SER 49 116.332 12.192 -6.985 345 HA SER 49 HA SER 49 118.879 13.666 -6.978 346 HB2 SER 49 1HB SER 49 119.412 11.266 -7.339 347 HB3 SER 49 2HB SER 49 118.333 11.258 -8.730 348 HG SER 49 HG SER 49 120.014 11.953 -9.784 349 H ARG 50 H ARG 50 118.883 15.323 -8.382 350 HA ARG 50 HA ARG 50 116.587 15.587 -10.202 351 HB2 ARG 50 1HB ARG 50 117.122 17.431 -8.589 352 HB3 ARG 50 2HB ARG 50 118.646 17.672 -9.445 353 HG2 ARG 50 1HG ARG 50 117.433 18.132 -11.526 354 HG3 ARG 50 2HG ARG 50 115.896 17.834 -10.713 355 HD2 ARG 50 1HD ARG 50 116.226 20.220 -10.765 356 HD3 ARG 50 2HD ARG 50 116.480 19.686 -9.105 357 HE ARG 50 HE ARG 50 118.864 19.859 -10.776 358 HH11 ARG 50 1HH1 ARG 50 116.865 21.447 -8.367 359 HH12 ARG 50 2HH1 ARG 50 118.134 22.522 -7.877 360 HH21 ARG 50 1HH2 ARG 50 120.458 21.267 -10.103 361 HH22 ARG 50 2HH2 ARG 50 120.140 22.419 -8.849 362 H THR 51 H THR 51 119.994 16.621 -10.376 363 HA THR 51 HA THR 51 120.168 15.393 -13.067 364 HB THR 51 HB THR 51 121.522 17.271 -13.814 365 HG1 THR 51 HG1 THR 51 122.505 17.954 -11.993 366 HG21 THR 51 3HG2 THR 51 118.869 17.333 -13.644 367 HG22 THR 51 1HG2 THR 51 119.778 18.742 -14.187 368 HG23 THR 51 2HG2 THR 51 119.205 18.652 -12.522 369 H ALA 52 H ALA 52 122.427 14.955 -13.735 370 HA ALA 52 HA ALA 52 123.900 13.756 -11.545 371 HB1 ALA 52 1HB ALA 52 125.521 13.285 -13.570 372 HB2 ALA 52 2HB ALA 52 124.122 13.761 -14.531 373 HB3 ALA 52 3HB ALA 52 124.006 12.397 -13.421 374 H SER 53 H SER 53 125.204 14.948 -10.322 375 HA SER 53 HA SER 53 126.826 17.071 -11.608 376 HB2 SER 53 1HB SER 53 125.615 17.109 -8.835 377 HB3 SER 53 2HB SER 53 126.653 18.352 -9.524 378 HG SER 53 HG SER 53 125.019 18.464 -11.241 379 H SER 54 H SER 54 128.930 17.332 -10.864 380 HA SER 54 HA SER 54 130.323 15.031 -10.074 381 HB2 SER 54 1HB SER 54 131.201 17.909 -9.762 382 HB3 SER 54 2HB SER 54 132.248 16.493 -9.792 383 HG SER 54 HG SER 54 131.498 16.098 -11.916 384 H GLY 55 H GLY 55 128.987 17.687 -8.159 385 HA2 GLY 55 1HA GLY 55 130.254 16.797 -5.714 386 HA3 GLY 55 2HA GLY 55 129.098 18.107 -5.875 387 H ASP 56 H ASP 56 128.087 15.115 -7.263 388 HA ASP 56 HA ASP 56 126.516 13.566 -6.683 389 HB2 ASP 56 1HB ASP 56 127.417 14.184 -3.860 390 HB3 ASP 56 2HB ASP 56 126.446 12.803 -4.352 391 H TYR 57 H TYR 57 124.363 13.353 -5.989 392 HA TYR 57 HA TYR 57 122.830 15.711 -5.974 393 HB2 TYR 57 1HB TYR 57 120.943 14.282 -5.529 394 HB3 TYR 57 2HB TYR 57 122.005 13.488 -6.673 395 HD1 TYR 57 HD2 TYR 57 123.274 11.489 -6.035 396 HD2 TYR 57 HD1 TYR 57 120.648 13.450 -3.258 397 HE1 TYR 57 HE2 TYR 57 123.366 9.507 -4.548 398 HE2 TYR 57 HE1 TYR 57 120.744 11.470 -1.770 399 HH TYR 57 HH TYR 57 122.989 9.218 -1.848 400 H ASN 58 H ASN 58 121.473 16.571 -4.279 401 HA ASN 58 HA ASN 58 121.732 15.808 -1.563 402 HB2 ASN 58 1HB ASN 58 123.069 17.672 -0.715 403 HB3 ASN 58 2HB ASN 58 124.010 16.687 -1.830 404 HD21 ASN 58 1HD2 ASN 58 124.584 19.485 -1.247 405 HD22 ASN 58 2HD2 ASN 58 124.374 20.352 -2.690 406 H LYS 59 H LYS 59 119.707 16.248 -0.988 407 HA LYS 59 HA LYS 59 118.800 19.018 -1.146 408 HB2 LYS 59 1HB LYS 59 117.230 16.709 -2.313 409 HB3 LYS 59 2HB LYS 59 116.576 18.323 -2.036 410 HG2 LYS 59 1HG LYS 59 118.367 19.260 -3.499 411 HG3 LYS 59 2HG LYS 59 118.903 17.615 -3.845 412 HD2 LYS 59 1HD LYS 59 116.615 17.096 -4.705 413 HD3 LYS 59 2HD LYS 59 116.178 18.789 -4.468 414 HE2 LYS 59 1HE LYS 59 116.824 18.530 -6.777 415 HE3 LYS 59 2HE LYS 59 118.117 19.408 -5.961 416 HZ1 LYS 59 3HZ LYS 59 118.872 17.554 -7.415 417 HZ2 LYS 59 1HZ LYS 59 118.124 16.468 -6.346 418 HZ3 LYS 59 2HZ LYS 59 119.406 17.443 -5.806 419 H ASN 60 H ASN 60 117.128 15.939 -0.438 420 HA ASN 60 HA ASN 60 116.938 16.759 2.393 421 HB2 ASN 60 1HB ASN 60 114.650 15.795 0.661 422 HB3 ASN 60 2HB ASN 60 114.566 16.061 2.400 423 HD21 ASN 60 1HD2 ASN 60 112.974 17.509 0.408 424 HD22 ASN 60 2HD2 ASN 60 113.418 19.143 0.520 425 H GLN 61 H GLN 61 116.876 15.075 3.872 426 HA GLN 61 HA GLN 61 117.141 12.332 2.761 427 HB2 GLN 61 1HB GLN 61 118.423 13.533 5.230 428 HB3 GLN 61 2HB GLN 61 118.519 11.833 4.767 429 HG2 GLN 61 1HG GLN 61 119.624 12.429 2.671 430 HG3 GLN 61 2HG GLN 61 119.461 14.143 3.046 431 HE21 GLN 61 1HE2 GLN 61 122.024 12.941 2.599 432 HE22 GLN 61 2HE2 GLN 61 122.887 12.973 4.060 433 H TYR 62 H TYR 62 115.986 10.686 3.785 434 HA TYR 62 HA TYR 62 114.171 11.509 5.975 435 HB2 TYR 62 1HB TYR 62 113.052 11.517 3.714 436 HB3 TYR 62 2HB TYR 62 113.378 9.798 3.623 437 HD1 TYR 62 HD1 TYR 62 111.482 12.426 5.403 438 HD2 TYR 62 HD2 TYR 62 112.051 8.206 4.848 439 HE1 TYR 62 HE1 TYR 62 109.363 11.983 6.614 440 HE2 TYR 62 HE2 TYR 62 109.935 7.761 6.061 441 HH TYR 62 HH TYR 62 107.614 9.649 6.451 442 H TYR 63 H TYR 63 113.952 10.047 7.579 443 HA TYR 63 HA TYR 63 114.903 7.291 7.138 444 HB2 TYR 63 1HB TYR 63 116.758 8.620 8.115 445 HB3 TYR 63 2HB TYR 63 115.720 9.040 9.464 446 HD1 TYR 63 HD2 TYR 63 117.694 6.387 7.863 447 HD2 TYR 63 HD1 TYR 63 115.153 7.388 11.178 448 HE1 TYR 63 HE2 TYR 63 118.415 4.326 9.039 449 HE2 TYR 63 HE1 TYR 63 115.873 5.327 12.354 450 HH TYR 63 HH TYR 63 118.480 3.695 11.764 451 H GLY 64 H GLY 64 113.588 5.801 8.061 452 HA2 GLY 64 1HA GLY 64 111.773 6.676 10.226 453 HA3 GLY 64 2HA GLY 64 111.112 5.888 8.797 454 H ILE 65 H ILE 65 111.150 5.083 11.663 455 HA ILE 65 HA ILE 65 112.259 2.369 11.239 456 HB ILE 65 HB ILE 65 113.622 3.631 12.839 457 HG12 ILE 65 1HG1 ILE 65 113.135 1.136 13.044 458 HG13 ILE 65 2HG1 ILE 65 113.817 1.942 14.441 459 HG21 ILE 65 1HG2 ILE 65 111.871 5.171 13.620 460 HG22 ILE 65 2HG2 ILE 65 112.739 4.412 14.954 461 HG23 ILE 65 3HG2 ILE 65 111.126 3.851 14.522 462 HD11 ILE 65 3HD1 ILE 65 110.918 1.970 14.650 463 HD12 ILE 65 1HD1 ILE 65 112.110 1.223 15.705 464 HD13 ILE 65 2HD1 ILE 65 111.486 0.343 14.317 465 H THR 66 H THR 66 110.771 0.818 11.369 466 HA THR 66 HA THR 66 108.198 1.425 12.718 467 HB THR 66 HB THR 66 107.034 0.169 11.030 468 HG1 THR 66 HG1 THR 66 108.432 -1.416 10.528 469 HG21 THR 66 3HG2 THR 66 108.614 2.504 10.317 470 HG22 THR 66 1HG2 THR 66 106.990 2.049 9.804 471 HG23 THR 66 2HG2 THR 66 108.392 1.448 8.924 472 H ALA 67 H ALA 67 107.128 -0.340 13.710 473 HA ALA 67 HA ALA 67 108.513 -2.922 13.788 474 HB1 ALA 67 1HB ALA 67 108.786 -3.007 16.087 475 HB2 ALA 67 2HB ALA 67 107.514 -1.821 16.385 476 HB3 ALA 67 3HB ALA 67 109.092 -1.295 15.798 477 H GLY 68 H GLY 68 107.083 -4.689 14.244 478 HA2 GLY 68 1HA GLY 68 104.330 -4.203 14.942 479 HA3 GLY 68 2HA GLY 68 104.535 -4.489 13.225 480 HA PRO 69 HA PRO 69 104.519 -8.693 15.131 481 HB2 PRO 69 1HB PRO 69 101.921 -9.278 15.596 482 HB3 PRO 69 2HB PRO 69 102.910 -8.392 16.773 483 HG2 PRO 69 1HG PRO 69 100.723 -7.438 15.097 484 HG3 PRO 69 2HG PRO 69 101.423 -6.724 16.555 485 HD2 PRO 69 1HD PRO 69 101.957 -6.042 13.776 486 HD3 PRO 69 2HD PRO 69 102.514 -5.215 15.249 487 H ALA 70 H ALA 70 104.870 -10.042 13.489 488 HA ALA 70 HA ALA 70 103.224 -10.155 11.105 489 HB1 ALA 70 1HB ALA 70 104.776 -12.216 10.710 490 HB2 ALA 70 2HB ALA 70 105.696 -11.561 12.065 491 HB3 ALA 70 3HB ALA 70 105.459 -10.593 10.609 492 H TYR 71 H TYR 71 101.639 -11.649 10.657 493 HA TYR 71 HA TYR 71 101.332 -13.933 12.520 494 HB2 TYR 71 1HB TYR 71 99.191 -12.605 10.845 495 HB3 TYR 71 2HB TYR 71 98.962 -13.915 11.987 496 HD1 TYR 71 HD1 TYR 71 98.971 -13.495 14.400 497 HD2 TYR 71 HD2 TYR 71 99.530 -10.309 11.574 498 HE1 TYR 71 HE1 TYR 71 98.544 -11.830 16.189 499 HE2 TYR 71 HE2 TYR 71 99.106 -8.645 13.362 500 HH TYR 71 HH TYR 71 99.244 -8.534 15.835 501 H ARG 72 H ARG 72 101.657 -15.900 11.551 502 HA ARG 72 HA ARG 72 102.026 -15.873 8.631 503 HB2 ARG 72 1HB ARG 72 103.049 -17.712 10.782 504 HB3 ARG 72 2HB ARG 72 103.190 -18.081 9.061 505 HG2 ARG 72 1HG ARG 72 104.332 -15.877 8.735 506 HG3 ARG 72 2HG ARG 72 104.301 -15.647 10.484 507 HD2 ARG 72 1HD ARG 72 105.568 -17.774 10.754 508 HD3 ARG 72 2HD ARG 72 105.664 -17.912 9.001 509 HE ARG 72 HE ARG 72 106.682 -15.431 10.151 510 HH11 ARG 72 1HH1 ARG 72 107.478 -18.637 8.959 511 HH12 ARG 72 2HH1 ARG 72 109.128 -18.219 8.643 512 HH21 ARG 72 1HH2 ARG 72 108.816 -14.948 9.706 513 HH22 ARG 72 2HH2 ARG 72 109.875 -16.157 9.061 514 H ILE 73 H ILE 73 100.375 -16.497 7.470 515 HA ILE 73 HA ILE 73 98.705 -18.753 8.325 516 HB ILE 73 HB ILE 73 98.477 -16.955 5.892 517 HG12 ILE 73 1HG1 ILE 73 96.832 -17.017 8.440 518 HG13 ILE 73 2HG1 ILE 73 98.126 -15.862 8.139 519 HG21 ILE 73 1HG2 ILE 73 97.479 -19.196 5.575 520 HG22 ILE 73 2HG2 ILE 73 96.230 -17.956 5.691 521 HG23 ILE 73 3HG2 ILE 73 96.567 -18.999 7.072 522 HD11 ILE 73 3HD1 ILE 73 95.504 -15.425 7.511 523 HD12 ILE 73 1HD1 ILE 73 96.109 -16.033 5.972 524 HD13 ILE 73 2HD1 ILE 73 96.855 -14.623 6.718 525 H ASN 74 H ASN 74 98.885 -20.752 7.429 526 HA ASN 74 HA ASN 74 101.405 -21.441 6.381 527 HB2 ASN 74 1HB ASN 74 98.831 -23.022 6.462 528 HB3 ASN 74 2HB ASN 74 100.413 -23.700 6.083 529 HD21 ASN 74 1HD2 ASN 74 98.790 -24.461 8.400 530 HD22 ASN 74 2HD2 ASN 74 99.674 -24.031 9.784 531 H ASP 75 H ASP 75 98.368 -20.720 4.751 532 HA ASP 75 HA ASP 75 99.346 -21.779 2.220 533 HB2 ASP 75 1HB ASP 75 96.966 -22.028 2.900 534 HB3 ASP 75 2HB ASP 75 96.788 -20.276 2.816 535 H TRP 76 H TRP 76 101.141 -19.972 2.893 536 HA TRP 76 HA TRP 76 102.141 -17.947 2.449 537 HB2 TRP 76 1HB TRP 76 102.192 -17.434 0.056 538 HB3 TRP 76 2HB TRP 76 102.470 -19.129 0.391 539 HD1 TRP 76 HD1 TRP 76 100.583 -20.855 -0.351 540 HE1 TRP 76 HE1 TRP 76 98.689 -20.674 -2.088 541 HE3 TRP 76 HE3 TRP 76 100.485 -15.792 -1.029 542 HZ2 TRP 76 HZ2 TRP 76 97.314 -18.650 -3.575 543 HZ3 TRP 76 HZ3 TRP 76 98.882 -14.768 -2.610 544 HH2 TRP 76 HH2 TRP 76 97.298 -16.186 -3.884 545 H ALA 77 H ALA 77 99.452 -17.631 3.535 546 HA ALA 77 HA ALA 77 98.488 -15.214 2.148 547 HB1 ALA 77 1HB ALA 77 96.467 -15.650 3.726 548 HB2 ALA 77 2HB ALA 77 97.166 -17.259 3.901 549 HB3 ALA 77 3HB ALA 77 96.682 -16.675 2.310 550 H SER 78 H SER 78 100.827 -15.167 4.064 551 HA SER 78 HA SER 78 99.802 -14.653 6.696 552 HB2 SER 78 1HB SER 78 102.553 -14.079 5.569 553 HB3 SER 78 2HB SER 78 102.114 -14.142 7.272 554 HG SER 78 HG SER 78 101.807 -16.279 5.423 555 H ILE 79 H ILE 79 100.185 -12.612 7.860 556 HA ILE 79 HA ILE 79 100.233 -10.226 6.172 557 HB ILE 79 HB ILE 79 97.852 -10.839 6.303 558 HG12 ILE 79 1HG1 ILE 79 98.343 -8.496 8.151 559 HG13 ILE 79 2HG1 ILE 79 98.686 -8.417 6.421 560 HG21 ILE 79 1HG2 ILE 79 98.067 -10.450 9.292 561 HG22 ILE 79 2HG2 ILE 79 98.136 -12.042 8.537 562 HG23 ILE 79 3HG2 ILE 79 96.687 -11.049 8.373 563 HD11 ILE 79 3HD1 ILE 79 96.420 -8.721 5.835 564 HD12 ILE 79 1HD1 ILE 79 96.355 -7.620 7.211 565 HD13 ILE 79 2HD1 ILE 79 95.999 -9.333 7.433 566 H TYR 80 H TYR 80 101.464 -8.725 7.109 567 HA TYR 80 HA TYR 80 101.630 -8.681 10.072 568 HB2 TYR 80 1HB TYR 80 103.951 -8.146 9.963 569 HB3 TYR 80 2HB TYR 80 103.695 -9.594 9.013 570 HD1 TYR 80 HD1 TYR 80 103.823 -9.497 6.530 571 HD2 TYR 80 HD2 TYR 80 104.702 -6.085 8.986 572 HE1 TYR 80 HE1 TYR 80 104.947 -8.402 4.611 573 HE2 TYR 80 HE2 TYR 80 105.831 -4.993 7.069 574 HH TYR 80 HH TYR 80 106.491 -5.206 4.965 575 H GLY 81 H GLY 81 101.544 -6.692 11.028 576 HA2 GLY 81 1HA GLY 81 101.189 -4.357 9.209 577 HA3 GLY 81 2HA GLY 81 100.169 -4.617 10.621 578 H VAL 82 H VAL 82 102.240 -2.480 9.796 579 HA VAL 82 HA VAL 82 103.752 -2.516 12.338 580 HB VAL 82 HB VAL 82 105.757 -1.711 11.132 581 HG11 VAL 82 1HG1 VAL 82 106.194 -3.920 9.888 582 HG12 VAL 82 2HG1 VAL 82 104.562 -4.379 10.374 583 HG13 VAL 82 3HG1 VAL 82 105.785 -4.034 11.600 584 HG21 VAL 82 3HG2 VAL 82 104.044 -2.291 8.697 585 HG22 VAL 82 1HG2 VAL 82 105.789 -2.046 8.635 586 HG23 VAL 82 2HG2 VAL 82 104.736 -0.736 9.162 587 H VAL 83 H VAL 83 104.346 -0.505 13.141 588 HA VAL 83 HA VAL 83 103.421 1.881 11.672 589 HB VAL 83 HB VAL 83 101.761 1.376 13.426 590 HG11 VAL 83 1HG1 VAL 83 103.305 0.142 14.942 591 HG12 VAL 83 2HG1 VAL 83 102.394 1.396 15.785 592 HG13 VAL 83 3HG1 VAL 83 104.082 1.672 15.355 593 HG21 VAL 83 3HG2 VAL 83 101.741 3.551 14.453 594 HG22 VAL 83 1HG2 VAL 83 102.443 3.746 12.847 595 HG23 VAL 83 2HG2 VAL 83 103.487 3.718 14.266 596 H GLY 84 H GLY 84 104.828 3.655 11.847 597 HA2 GLY 84 1HA GLY 84 107.180 3.364 13.568 598 HA3 GLY 84 2HA GLY 84 107.456 3.390 11.829 599 H VAL 85 H VAL 85 108.701 5.279 13.126 600 HA VAL 85 HA VAL 85 107.110 7.730 12.600 601 HB VAL 85 HB VAL 85 107.665 7.512 14.994 602 HG11 VAL 85 1HG1 VAL 85 109.971 7.471 15.752 603 HG12 VAL 85 2HG1 VAL 85 110.558 7.555 14.091 604 HG13 VAL 85 3HG1 VAL 85 109.714 6.114 14.656 605 HG21 VAL 85 3HG2 VAL 85 108.627 9.697 15.275 606 HG22 VAL 85 1HG2 VAL 85 107.679 9.747 13.787 607 HG23 VAL 85 2HG2 VAL 85 109.435 9.607 13.709 608 H GLY 86 H GLY 86 107.867 8.954 10.984 609 HA2 GLY 86 1HA GLY 86 110.678 8.514 10.095 610 HA3 GLY 86 2HA GLY 86 109.345 8.794 8.980 611 H TYR 87 H TYR 87 111.876 10.337 9.520 612 HA TYR 87 HA TYR 87 110.575 12.961 9.820 613 HB2 TYR 87 1HB TYR 87 112.263 13.769 11.308 614 HB3 TYR 87 2HB TYR 87 111.577 12.311 11.997 615 HD1 TYR 87 HD2 TYR 87 112.902 10.257 12.169 616 HD2 TYR 87 HD1 TYR 87 114.555 13.848 10.488 617 HE1 TYR 87 HE2 TYR 87 115.181 9.301 12.367 618 HE2 TYR 87 HE1 TYR 87 116.834 12.891 10.687 619 HH TYR 87 HH TYR 87 117.522 10.152 12.539 620 H GLY 88 H GLY 88 111.857 14.728 8.976 621 HA2 GLY 88 1HA GLY 88 113.713 13.863 6.825 622 HA3 GLY 88 2HA GLY 88 112.514 15.136 6.609 623 H LYS 89 H LYS 89 115.436 15.228 6.332 624 HA LYS 89 HA LYS 89 115.963 17.452 8.212 625 HB2 LYS 89 1HB LYS 89 117.161 15.374 8.921 626 HB3 LYS 89 2HB LYS 89 117.976 15.355 7.358 627 HG2 LYS 89 1HG LYS 89 119.495 16.442 8.823 628 HG3 LYS 89 2HG LYS 89 118.735 17.747 7.911 629 HD2 LYS 89 1HD LYS 89 117.193 18.190 9.743 630 HD3 LYS 89 2HD LYS 89 117.822 16.812 10.647 631 HE2 LYS 89 1HE LYS 89 119.641 19.043 9.750 632 HE3 LYS 89 2HE LYS 89 118.734 19.157 11.258 633 HZ1 LYS 89 3HZ LYS 89 121.001 18.201 11.488 634 HZ2 LYS 89 1HZ LYS 89 120.494 16.873 10.561 635 HZ3 LYS 89 2HZ LYS 89 119.763 17.190 12.062 636 H PHE 90 H PHE 90 116.672 19.269 7.219 637 HA PHE 90 HA PHE 90 117.402 19.082 4.361 638 HB2 PHE 90 1HB PHE 90 115.491 20.564 5.116 639 HB3 PHE 90 2HB PHE 90 116.682 21.547 5.945 640 HD1 PHE 90 HD1 PHE 90 118.284 22.919 4.675 641 HD2 PHE 90 HD2 PHE 90 115.303 20.536 2.703 642 HE1 PHE 90 HE1 PHE 90 118.679 24.167 2.568 643 HE2 PHE 90 HE2 PHE 90 115.700 21.783 0.594 644 HZ PHE 90 HZ PHE 90 117.387 23.600 0.529 645 H GLN 91 H GLN 91 119.474 19.382 3.792 646 HA GLN 91 HA GLN 91 121.329 20.506 5.808 647 HB2 GLN 91 1HB GLN 91 121.725 18.150 5.089 648 HB3 GLN 91 2HB GLN 91 121.968 18.732 3.441 649 HG2 GLN 91 1HG GLN 91 123.832 20.139 4.190 650 HG3 GLN 91 2HG GLN 91 123.575 19.623 5.854 651 HE21 GLN 91 1HE2 GLN 91 126.084 19.148 4.867 652 HE22 GLN 91 2HE2 GLN 91 126.298 17.502 4.510 653 H THR 92 H THR 92 121.821 22.560 5.425 654 HA THR 92 HA THR 92 122.104 23.480 2.627 655 HB THR 92 HB THR 92 121.810 25.151 5.134 656 HG1 THR 92 HG1 THR 92 119.932 23.976 4.728 657 HG21 THR 92 3HG2 THR 92 122.009 25.707 2.189 658 HG22 THR 92 1HG2 THR 92 122.785 26.541 3.536 659 HG23 THR 92 2HG2 THR 92 121.070 26.791 3.217 660 H THR 93 H THR 93 124.020 24.320 1.918 661 HA THR 93 HA THR 93 126.374 23.880 3.549 662 HB THR 93 HB THR 93 126.151 25.172 0.818 663 HG1 THR 93 HG1 THR 93 125.535 23.203 0.365 664 HG21 THR 93 3HG2 THR 93 128.505 24.647 0.624 665 HG22 THR 93 1HG2 THR 93 128.487 23.795 2.169 666 HG23 THR 93 2HG2 THR 93 128.268 25.544 2.124 667 H GLU 94 H GLU 94 127.435 25.364 4.725 668 HA GLU 94 HA GLU 94 127.842 27.326 5.843 669 HB2 GLU 94 1HB GLU 94 128.788 27.832 3.573 670 HB3 GLU 94 2HB GLU 94 127.259 28.605 3.162 671 HG2 GLU 94 1HG GLU 94 128.739 30.341 3.913 672 HG3 GLU 94 2HG GLU 94 127.561 30.080 5.192 673 H TYR 95 H TYR 95 125.613 26.645 6.770 674 HA TYR 95 HA TYR 95 123.311 28.157 6.035 675 HB2 TYR 95 1HB TYR 95 122.312 27.248 8.053 676 HB3 TYR 95 2HB TYR 95 123.164 25.992 7.175 677 HD1 TYR 95 HD1 TYR 95 125.253 25.034 8.057 678 HD2 TYR 95 HD2 TYR 95 123.065 28.034 10.219 679 HE1 TYR 95 HE1 TYR 95 126.547 24.504 10.105 680 HE2 TYR 95 HE2 TYR 95 124.360 27.503 12.265 681 HH TYR 95 HH TYR 95 126.512 26.502 12.870 682 HA PRO 96 HA PRO 96 124.256 31.753 8.493 683 HB2 PRO 96 1HB PRO 96 121.838 32.984 8.554 684 HB3 PRO 96 2HB PRO 96 122.818 32.876 7.079 685 HG2 PRO 96 1HG PRO 96 120.361 31.445 7.804 686 HG3 PRO 96 2HG PRO 96 121.029 31.819 6.208 687 HD2 PRO 96 1HD PRO 96 121.184 29.332 7.605 688 HD3 PRO 96 2HD PRO 96 121.947 29.752 6.057 689 H THR 97 H THR 97 121.050 30.465 9.448 690 HA THR 97 HA THR 97 121.920 30.575 12.278 691 HB THR 97 HB THR 97 119.666 31.263 12.907 692 HG1 THR 97 HG1 THR 97 118.094 31.184 11.528 693 HG21 THR 97 3HG2 THR 97 119.881 33.512 12.326 694 HG22 THR 97 1HG2 THR 97 120.424 33.142 10.689 695 HG23 THR 97 2HG2 THR 97 121.518 32.914 12.054 696 H TYR 98 H TYR 98 120.722 29.112 13.691 697 HA TYR 98 HA TYR 98 120.627 26.477 12.732 698 HB2 TYR 98 1HB TYR 98 120.928 27.108 15.103 699 HB3 TYR 98 2HB TYR 98 119.257 27.633 15.163 700 HD1 TYR 98 HD1 TYR 98 117.426 26.008 15.176 701 HD2 TYR 98 HD2 TYR 98 121.531 24.749 15.027 702 HE1 TYR 98 HE1 TYR 98 116.740 23.701 15.769 703 HE2 TYR 98 HE2 TYR 98 120.842 22.441 15.621 704 HH TYR 98 HH TYR 98 119.094 21.221 16.525 705 H LYS 99 H LYS 99 118.075 28.888 13.134 706 HA LYS 99 HA LYS 99 115.826 27.279 12.850 707 HB2 LYS 99 1HB LYS 99 115.812 29.697 13.442 708 HB3 LYS 99 2HB LYS 99 116.171 30.078 11.758 709 HG2 LYS 99 1HG LYS 99 114.102 28.877 11.072 710 HG3 LYS 99 2HG LYS 99 113.725 28.603 12.773 711 HD2 LYS 99 1HD LYS 99 113.778 31.084 13.129 712 HD3 LYS 99 2HD LYS 99 113.979 31.285 11.388 713 HE2 LYS 99 1HE LYS 99 111.685 29.712 12.567 714 HE3 LYS 99 2HE LYS 99 111.581 31.447 12.268 715 HZ1 LYS 99 3HZ LYS 99 111.887 31.138 9.983 716 HZ2 LYS 99 1HZ LYS 99 110.781 29.932 10.431 717 HZ3 LYS 99 2HZ LYS 99 112.412 29.532 10.171 718 H HIS 100 H HIS 100 118.051 28.440 10.378 719 HA HIS 100 HA HIS 100 116.490 28.171 8.094 720 HB2 HIS 100 1HB HIS 100 118.803 29.104 8.206 721 HB3 HIS 100 2HB HIS 100 119.413 27.465 8.338 722 HD1 HIS 100 HD1 HIS 100 117.216 29.473 5.945 723 HD2 HIS 100 HD2 HIS 100 120.032 26.397 5.872 724 HE1 HIS 100 HE1 HIS 100 117.588 28.899 3.508 725 H ASP 101 H ASP 101 118.271 25.688 9.887 726 HA ASP 101 HA ASP 101 117.826 23.559 8.072 727 HB2 ASP 101 1HB ASP 101 119.471 23.545 9.972 728 HB3 ASP 101 2HB ASP 101 118.110 23.363 11.077 729 H THR 102 H THR 102 116.214 21.959 8.022 730 HA THR 102 HA THR 102 113.696 22.734 9.395 731 HB THR 102 HB THR 102 113.999 21.292 6.751 732 HG1 THR 102 HG1 THR 102 114.336 23.216 6.021 733 HG21 THR 102 3HG2 THR 102 111.641 22.445 8.260 734 HG22 THR 102 1HG2 THR 102 111.912 20.755 7.837 735 HG23 THR 102 2HG2 THR 102 111.568 21.936 6.572 736 H SER 103 H SER 103 112.658 21.240 10.577 737 HA SER 103 HA SER 103 113.335 18.405 10.250 738 HB2 SER 103 1HB SER 103 114.836 19.297 12.022 739 HB3 SER 103 2HB SER 103 113.418 19.820 12.924 740 HG SER 103 HG SER 103 114.169 17.181 12.189 741 H ASP 104 H ASP 104 111.603 17.122 10.428 742 HA ASP 104 HA ASP 104 109.380 17.732 12.146 743 HB2 ASP 104 1HB ASP 104 107.676 17.900 10.403 744 HB3 ASP 104 2HB ASP 104 108.856 19.194 10.223 745 H TYR 105 H TYR 105 107.730 15.978 12.060 746 HA TYR 105 HA TYR 105 108.726 13.503 10.820 747 HB2 TYR 105 1HB TYR 105 108.571 12.265 12.863 748 HB3 TYR 105 2HB TYR 105 109.627 13.639 13.119 749 HD1 TYR 105 HD1 TYR 105 108.844 15.582 14.467 750 HD2 TYR 105 HD2 TYR 105 106.499 12.008 14.047 751 HE1 TYR 105 HE1 TYR 105 107.465 16.259 16.413 752 HE2 TYR 105 HE2 TYR 105 105.120 12.684 15.993 753 HH TYR 105 HH TYR 105 105.927 15.551 17.909 754 H GLY 106 H GLY 106 107.166 11.769 10.776 755 HA2 GLY 106 1HA GLY 106 104.366 12.536 11.214 756 HA3 GLY 106 2HA GLY 106 104.850 12.025 9.596 757 H PHE 107 H PHE 107 102.922 10.558 10.892 758 HA PHE 107 HA PHE 107 104.332 8.198 11.990 759 HB2 PHE 107 1HB PHE 107 101.410 8.969 12.059 760 HB3 PHE 107 2HB PHE 107 102.075 7.491 12.727 761 HD1 PHE 107 HD1 PHE 107 103.581 7.580 14.709 762 HD2 PHE 107 HD2 PHE 107 101.603 11.076 13.186 763 HE1 PHE 107 HE1 PHE 107 104.040 8.767 16.838 764 HE2 PHE 107 HE2 PHE 107 102.063 12.263 15.314 765 HZ PHE 107 HZ PHE 107 103.280 11.109 17.140 766 H SER 108 H SER 108 104.575 6.454 10.727 767 HA SER 108 HA SER 108 102.913 6.277 8.267 768 HB2 SER 108 1HB SER 108 104.744 5.081 7.252 769 HB3 SER 108 2HB SER 108 105.373 6.571 7.944 770 HG SER 108 HG SER 108 106.666 5.302 9.011 771 H TYR 109 H TYR 109 101.942 4.354 7.726 772 HA TYR 109 HA TYR 109 102.319 2.034 9.495 773 HB2 TYR 109 1HB TYR 109 100.398 3.322 10.391 774 HB3 TYR 109 2HB TYR 109 99.613 3.208 8.828 775 HD1 TYR 109 HD1 TYR 109 98.648 1.097 8.052 776 HD2 TYR 109 HD2 TYR 109 100.580 1.400 11.878 777 HE1 TYR 109 HE1 TYR 109 97.654 -1.073 8.728 778 HE2 TYR 109 HE2 TYR 109 99.586 -0.770 12.552 779 HH TYR 109 HH TYR 109 97.156 -2.090 11.474 780 H GLY 110 H GLY 110 101.935 0.043 8.448 781 HA2 GLY 110 1HA GLY 110 100.806 0.024 5.773 782 HA3 GLY 110 2HA GLY 110 102.544 -0.241 5.819 783 H ALA 111 H ALA 111 101.152 -2.197 4.746 784 HA ALA 111 HA ALA 111 101.530 -4.367 6.652 785 HB1 ALA 111 1HB ALA 111 99.111 -3.656 6.847 786 HB2 ALA 111 2HB ALA 111 99.357 -5.340 6.385 787 HB3 ALA 111 3HB ALA 111 98.908 -4.148 5.165 788 H GLY 112 H GLY 112 101.880 -6.384 5.658 789 HA2 GLY 112 1HA GLY 112 101.988 -6.400 2.711 790 HA3 GLY 112 2HA GLY 112 103.470 -6.704 3.607 791 H LEU 113 H LEU 113 102.399 -8.510 1.797 792 HA LEU 113 HA LEU 113 101.403 -10.705 3.513 793 HB2 LEU 113 1HB LEU 113 101.056 -10.281 0.534 794 HB3 LEU 113 2HB LEU 113 100.544 -11.722 1.411 795 HG LEU 113 HG LEU 113 99.293 -9.980 2.948 796 HD11 LEU 113 1HD1 LEU 113 99.942 -8.455 0.441 797 HD12 LEU 113 2HD1 LEU 113 99.950 -7.900 2.115 798 HD13 LEU 113 3HD1 LEU 113 98.420 -8.149 1.276 799 HD21 LEU 113 3HD2 LEU 113 97.315 -10.450 1.758 800 HD22 LEU 113 1HD2 LEU 113 98.391 -11.756 1.266 801 HD23 LEU 113 2HD2 LEU 113 98.130 -10.377 0.195 802 H GLN 114 H GLN 114 102.351 -12.838 3.146 803 HA GLN 114 HA GLN 114 105.078 -12.625 1.971 804 HB2 GLN 114 1HB GLN 114 105.046 -12.632 4.471 805 HB3 GLN 114 2HB GLN 114 104.295 -14.226 4.410 806 HG2 GLN 114 1HG GLN 114 106.210 -15.113 3.169 807 HG3 GLN 114 2HG GLN 114 106.960 -13.520 3.155 808 HE21 GLN 114 1HE2 GLN 114 108.478 -15.502 4.282 809 HE22 GLN 114 2HE2 GLN 114 108.496 -15.369 5.974 810 H PHE 115 H PHE 115 105.642 -14.124 0.540 811 HA PHE 115 HA PHE 115 104.271 -16.745 0.596 812 HB2 PHE 115 1HB PHE 115 103.509 -15.434 -1.368 813 HB3 PHE 115 2HB PHE 115 105.178 -15.196 -1.847 814 HD1 PHE 115 HD1 PHE 115 106.548 -17.170 -2.587 815 HD2 PHE 115 HD2 PHE 115 102.319 -17.435 -1.884 816 HE1 PHE 115 HE1 PHE 115 106.463 -19.278 -3.890 817 HE2 PHE 115 HE2 PHE 115 102.235 -19.544 -3.184 818 HZ PHE 115 HZ PHE 115 104.307 -20.466 -4.188 819 H ASN 116 H ASN 116 105.841 -18.183 1.263 820 HA ASN 116 HA ASN 116 108.635 -17.590 0.500 821 HB2 ASN 116 1HB ASN 116 109.328 -17.837 2.845 822 HB3 ASN 116 2HB ASN 116 108.256 -16.459 2.602 823 HD21 ASN 116 1HD2 ASN 116 105.815 -17.015 3.008 824 HD22 ASN 116 2HD2 ASN 116 105.491 -18.047 4.317 825 HA PRO 117 HA PRO 117 109.143 -22.001 1.281 826 HB2 PRO 117 1HB PRO 117 110.960 -22.397 -0.796 827 HB3 PRO 117 2HB PRO 117 109.221 -22.715 -0.904 828 HG2 PRO 117 1HG PRO 117 110.718 -20.738 -2.279 829 HG3 PRO 117 2HG PRO 117 108.974 -21.024 -2.335 830 HD2 PRO 117 1HD PRO 117 110.483 -18.992 -0.785 831 HD3 PRO 117 2HD PRO 117 108.793 -18.964 -1.345 832 H MET 118 H MET 118 111.465 -23.069 1.596 833 HA MET 118 HA MET 118 112.945 -21.510 3.387 834 HB2 MET 118 1HB MET 118 113.920 -23.865 1.748 835 HB3 MET 118 2HB MET 118 114.664 -23.256 3.222 836 HG2 MET 118 1HG MET 118 111.870 -24.414 2.986 837 HG3 MET 118 2HG MET 118 113.261 -25.212 3.712 838 HE1 MET 118 3HE MET 118 114.689 -24.205 5.272 839 HE2 MET 118 1HE MET 118 114.073 -23.652 6.834 840 HE3 MET 118 2HE MET 118 114.549 -22.481 5.608 841 H GLU 119 H GLU 119 115.380 -21.098 3.086 842 HA GLU 119 HA GLU 119 117.129 -20.053 2.062 843 HB2 GLU 119 1HB GLU 119 115.796 -21.027 -0.477 844 HB3 GLU 119 2HB GLU 119 117.431 -20.383 -0.365 845 HG2 GLU 119 1HG GLU 119 117.998 -22.165 1.271 846 HG3 GLU 119 2HG GLU 119 116.389 -22.838 1.063 847 H ASN 120 H ASN 120 117.493 -18.482 -0.027 848 HA ASN 120 HA ASN 120 116.406 -16.033 0.795 849 HB2 ASN 120 1HB ASN 120 117.639 -15.077 -1.058 850 HB3 ASN 120 2HB ASN 120 118.616 -16.294 -0.244 851 HD21 ASN 120 1HD2 ASN 120 119.103 -15.512 -2.971 852 HD22 ASN 120 2HD2 ASN 120 118.764 -16.844 -3.966 853 H VAL 121 H VAL 121 114.865 -18.333 -1.092 854 HA VAL 121 HA VAL 121 114.001 -16.651 -3.249 855 HB VAL 121 HB VAL 121 112.734 -18.655 -3.981 856 HG11 VAL 121 1HG1 VAL 121 115.199 -18.198 -4.459 857 HG12 VAL 121 2HG1 VAL 121 114.691 -19.882 -4.603 858 HG13 VAL 121 3HG1 VAL 121 115.566 -19.344 -3.168 859 HG21 VAL 121 3HG2 VAL 121 112.761 -20.667 -2.745 860 HG22 VAL 121 1HG2 VAL 121 112.446 -19.441 -1.517 861 HG23 VAL 121 2HG2 VAL 121 114.068 -20.110 -1.701 862 H ALA 122 H ALA 122 112.983 -16.074 -0.348 863 HA ALA 122 HA ALA 122 110.084 -16.414 -0.866 864 HB1 ALA 122 1HB ALA 122 109.981 -15.712 1.614 865 HB2 ALA 122 2HB ALA 122 111.722 -15.994 1.631 866 HB3 ALA 122 3HB ALA 122 110.618 -17.315 1.251 867 H LEU 123 H LEU 123 108.681 -14.600 -0.758 868 HA LEU 123 HA LEU 123 110.074 -12.008 -1.101 869 HB2 LEU 123 1HB LEU 123 108.140 -13.437 -2.888 870 HB3 LEU 123 2HB LEU 123 108.064 -11.682 -2.818 871 HG LEU 123 HG LEU 123 109.496 -12.517 -4.663 872 HD11 LEU 123 1HD1 LEU 123 111.074 -10.843 -4.429 873 HD12 LEU 123 2HD1 LEU 123 111.352 -11.197 -2.724 874 HD13 LEU 123 3HD1 LEU 123 109.887 -10.350 -3.220 875 HD21 LEU 123 3HD2 LEU 123 111.592 -13.314 -2.675 876 HD22 LEU 123 1HD2 LEU 123 111.393 -13.815 -4.353 877 HD23 LEU 123 2HD2 LEU 123 110.340 -14.480 -3.106 878 H ASP 124 H ASP 124 108.957 -10.171 -0.455 879 HA ASP 124 HA ASP 124 106.278 -10.556 0.732 880 HB2 ASP 124 1HB ASP 124 108.082 -10.610 2.501 881 HB3 ASP 124 2HB ASP 124 108.474 -8.951 2.055 882 H PHE 125 H PHE 125 104.874 -8.892 0.359 883 HA PHE 125 HA PHE 125 105.961 -6.434 -0.903 884 HB2 PHE 125 1HB PHE 125 103.498 -7.975 -1.742 885 HB3 PHE 125 2HB PHE 125 103.979 -6.413 -2.378 886 HD1 PHE 125 HD1 PHE 125 106.008 -6.213 -3.802 887 HD2 PHE 125 HD2 PHE 125 104.551 -10.018 -2.440 888 HE1 PHE 125 HE1 PHE 125 107.397 -7.356 -5.509 889 HE2 PHE 125 HE2 PHE 125 105.939 -11.160 -4.148 890 HZ PHE 125 HZ PHE 125 107.363 -9.829 -5.684 891 H SER 126 H SER 126 105.146 -4.551 -0.079 892 HA SER 126 HA SER 126 102.743 -4.705 1.622 893 HB2 SER 126 1HB SER 126 104.687 -5.067 3.107 894 HB3 SER 126 2HB SER 126 105.363 -3.535 2.572 895 HG SER 126 HG SER 126 103.453 -2.533 3.365 896 H TYR 127 H TYR 127 101.711 -2.717 2.018 897 HA TYR 127 HA TYR 127 102.617 -0.459 0.325 898 HB2 TYR 127 1HB TYR 127 99.821 -1.130 1.262 899 HB3 TYR 127 2HB TYR 127 100.271 0.246 0.270 900 HD1 TYR 127 HD1 TYR 127 101.064 -0.115 -2.076 901 HD2 TYR 127 HD2 TYR 127 99.518 -3.314 0.341 902 HE1 TYR 127 HE1 TYR 127 100.742 -1.497 -4.109 903 HE2 TYR 127 HE2 TYR 127 99.199 -4.695 -1.693 904 HH TYR 127 HH TYR 127 100.532 -4.535 -4.252 905 H GLU 128 H GLU 128 102.775 1.547 1.281 906 HA GLU 128 HA GLU 128 102.329 1.664 4.207 907 HB2 GLU 128 1HB GLU 128 104.737 1.330 3.574 908 HB3 GLU 128 2HB GLU 128 104.670 2.870 2.720 909 HG2 GLU 128 1HG GLU 128 103.982 3.979 4.838 910 HG3 GLU 128 2HG GLU 128 104.149 2.442 5.674 911 H GLN 129 H GLN 129 101.538 3.572 5.003 912 HA GLN 129 HA GLN 129 100.921 5.695 3.037 913 HB2 GLN 129 1HB GLN 129 99.171 4.460 5.162 914 HB3 GLN 129 2HB GLN 129 98.825 6.039 4.456 915 HG2 GLN 129 1HG GLN 129 99.186 3.490 2.855 916 HG3 GLN 129 2HG GLN 129 97.623 4.173 3.304 917 HE21 GLN 129 1HE2 GLN 129 99.546 3.985 0.678 918 HE22 GLN 129 2HE2 GLN 129 99.257 5.503 -0.028 919 H SER 130 H SER 130 101.404 7.677 3.577 920 HA SER 130 HA SER 130 102.119 8.315 6.371 921 HB2 SER 130 1HB SER 130 102.750 10.034 3.971 922 HB3 SER 130 2HB SER 130 103.478 10.078 5.570 923 HG SER 130 HG SER 130 104.916 8.855 4.599 924 H ARG 131 H ARG 131 101.217 10.304 7.242 925 HA ARG 131 HA ARG 131 98.392 10.186 6.512 926 HB2 ARG 131 1HB ARG 131 99.794 11.291 8.961 927 HB3 ARG 131 2HB ARG 131 98.045 11.214 8.747 928 HG2 ARG 131 1HG ARG 131 98.225 8.744 8.457 929 HG3 ARG 131 2HG ARG 131 99.953 8.858 8.794 930 HD2 ARG 131 1HD ARG 131 99.372 9.944 10.991 931 HD3 ARG 131 2HD ARG 131 97.680 9.584 10.659 932 HE ARG 131 HE ARG 131 99.759 7.683 11.394 933 HH11 ARG 131 1HH1 ARG 131 96.519 8.093 10.107 934 HH12 ARG 131 2HH1 ARG 131 96.055 6.467 10.487 935 HH21 ARG 131 1HH2 ARG 131 99.105 5.602 11.859 936 HH22 ARG 131 2HH2 ARG 131 97.503 5.077 11.467 937 H ILE 132 H ILE 132 97.081 12.285 6.557 938 HA ILE 132 HA ILE 132 98.514 13.249 4.233 939 HB ILE 132 HB ILE 132 96.225 13.943 3.452 940 HG12 ILE 132 1HG1 ILE 132 95.292 12.264 5.798 941 HG13 ILE 132 2HG1 ILE 132 95.177 14.022 5.762 942 HG21 ILE 132 1HG2 ILE 132 95.814 11.785 2.667 943 HG22 ILE 132 2HG2 ILE 132 96.284 11.033 4.192 944 HG23 ILE 132 3HG2 ILE 132 97.516 11.696 3.116 945 HD11 ILE 132 3HD1 ILE 132 93.884 13.811 3.608 946 HD12 ILE 132 1HD1 ILE 132 93.060 13.147 5.018 947 HD13 ILE 132 2HD1 ILE 132 93.853 12.067 3.869 948 H ARG 133 H ARG 133 99.705 14.950 4.784 949 HA ARG 133 HA ARG 133 98.391 17.512 5.256 950 HB2 ARG 133 1HB ARG 133 100.946 16.664 5.694 951 HB3 ARG 133 2HB ARG 133 101.130 17.360 4.089 952 HG2 ARG 133 1HG ARG 133 100.225 19.499 4.880 953 HG3 ARG 133 2HG ARG 133 99.929 18.802 6.472 954 HD2 ARG 133 1HD ARG 133 102.000 20.021 6.600 955 HD3 ARG 133 2HD ARG 133 102.395 18.305 6.618 956 HE ARG 133 HE ARG 133 103.542 18.638 4.652 957 HH11 ARG 133 1HH1 ARG 133 101.168 21.210 4.930 958 HH12 ARG 133 2HH1 ARG 133 101.712 22.002 3.489 959 HH21 ARG 133 1HH2 ARG 133 104.197 19.704 2.805 960 HH22 ARG 133 2HH2 ARG 133 103.405 21.160 2.302 961 H SER 134 H SER 134 99.292 19.133 3.235 962 HA SER 134 HA SER 134 97.474 18.650 1.202 963 HB2 SER 134 1HB SER 134 98.542 20.841 1.646 964 HB3 SER 134 2HB SER 134 100.046 20.225 0.968 965 HG SER 134 HG SER 134 99.196 20.294 -0.993 966 H VAL 135 H VAL 135 100.643 17.200 1.548 967 HA VAL 135 HA VAL 135 100.167 15.830 -1.039 968 HB VAL 135 HB VAL 135 102.773 16.066 0.492 969 HG11 VAL 135 1HG1 VAL 135 102.112 14.948 -2.252 970 HG12 VAL 135 2HG1 VAL 135 102.583 14.004 -0.839 971 HG13 VAL 135 3HG1 VAL 135 103.735 15.113 -1.584 972 HG21 VAL 135 3HG2 VAL 135 101.927 18.204 -0.568 973 HG22 VAL 135 1HG2 VAL 135 101.974 17.374 -2.125 974 HG23 VAL 135 2HG2 VAL 135 103.465 17.629 -1.216 975 H ASP 136 H ASP 136 99.562 13.764 -0.913 976 HA ASP 136 HA ASP 136 99.806 12.336 1.659 977 HB2 ASP 136 1HB ASP 136 97.527 12.559 0.759 978 HB3 ASP 136 2HB ASP 136 98.036 11.782 -0.737 979 H VAL 137 H VAL 137 100.825 10.274 1.764 980 HA VAL 137 HA VAL 137 102.574 9.797 -0.598 981 HB VAL 137 HB VAL 137 103.077 8.905 2.242 982 HG11 VAL 137 1HG1 VAL 137 104.953 9.180 -0.117 983 HG12 VAL 137 2HG1 VAL 137 104.180 7.666 0.353 984 HG13 VAL 137 3HG1 VAL 137 105.312 8.457 1.452 985 HG21 VAL 137 3HG2 VAL 137 103.102 11.346 2.210 986 HG22 VAL 137 1HG2 VAL 137 104.085 11.349 0.746 987 HG23 VAL 137 2HG2 VAL 137 104.766 10.768 2.264 988 H GLY 138 H GLY 138 102.406 7.968 -1.693 989 HA2 GLY 138 1HA GLY 138 101.293 5.580 -0.331 990 HA3 GLY 138 2HA GLY 138 100.937 5.953 -2.020 991 H THR 139 H THR 139 102.854 4.041 -0.127 992 HA THR 139 HA THR 139 105.049 4.022 -2.121 993 HB THR 139 HB THR 139 105.347 3.525 0.846 994 HG1 THR 139 HG1 THR 139 105.678 5.793 -0.776 995 HG21 THR 139 3HG2 THR 139 107.279 3.707 -1.474 996 HG22 THR 139 1HG2 THR 139 107.013 2.333 -0.402 997 HG23 THR 139 2HG2 THR 139 107.789 3.793 0.211 998 H TRP 140 H TRP 140 105.544 2.087 -2.961 999 HA TRP 140 HA TRP 140 104.377 -0.331 -1.686 1000 HB2 TRP 140 1HB TRP 140 103.411 0.174 -3.899 1001 HB3 TRP 140 2HB TRP 140 105.017 0.160 -4.600 1002 HD1 TRP 140 HD1 TRP 140 102.954 -2.297 -2.421 1003 HE1 TRP 140 HE1 TRP 140 103.232 -4.659 -3.414 1004 HE3 TRP 140 HE3 TRP 140 106.063 -1.251 -6.336 1005 HZ2 TRP 140 HZ2 TRP 140 104.592 -5.940 -5.586 1006 HZ3 TRP 140 HZ3 TRP 140 106.832 -3.053 -7.847 1007 HH2 TRP 140 HH2 TRP 140 106.104 -5.393 -7.480 1008 H ILE 141 H ILE 141 105.787 -1.938 -1.124 1009 HA ILE 141 HA ILE 141 108.611 -1.604 -1.965 1010 HB ILE 141 HB ILE 141 109.287 -2.410 0.235 1011 HG12 ILE 141 1HG1 ILE 141 106.362 -2.273 1.024 1012 HG13 ILE 141 2HG1 ILE 141 107.201 -3.777 0.646 1013 HG21 ILE 141 1HG2 ILE 141 109.361 -0.179 0.537 1014 HG22 ILE 141 2HG2 ILE 141 107.923 -0.376 1.521 1015 HG23 ILE 141 3HG2 ILE 141 107.772 0.093 -0.167 1016 HD11 ILE 141 3HD1 ILE 141 107.607 -1.924 2.970 1017 HD12 ILE 141 1HD1 ILE 141 108.956 -2.910 2.402 1018 HD13 ILE 141 2HD1 ILE 141 107.470 -3.683 2.955 1019 H ALA 142 H ALA 142 109.760 -3.411 -2.480 1020 HA ALA 142 HA ALA 142 108.452 -6.038 -2.165 1021 HB1 ALA 142 1HB ALA 142 109.542 -4.815 -4.693 1022 HB2 ALA 142 2HB ALA 142 108.010 -5.651 -4.444 1023 HB3 ALA 142 3HB ALA 142 109.518 -6.566 -4.474 1024 H GLY 143 H GLY 143 109.812 -7.453 -1.220 1025 HA2 GLY 143 1HA GLY 143 112.722 -6.949 -1.394 1026 HA3 GLY 143 2HA GLY 143 111.945 -7.102 0.179 1027 H VAL 144 H VAL 144 114.048 -8.728 -0.912 1028 HA VAL 144 HA VAL 144 112.706 -11.361 -1.129 1029 HB VAL 144 HB VAL 144 115.510 -10.578 -1.987 1030 HG11 VAL 144 1HG1 VAL 144 113.916 -13.134 -2.331 1031 HG12 VAL 144 2HG1 VAL 144 115.329 -12.925 -1.300 1032 HG13 VAL 144 3HG1 VAL 144 115.494 -12.823 -3.052 1033 HG21 VAL 144 3HG2 VAL 144 113.537 -9.667 -3.368 1034 HG22 VAL 144 1HG2 VAL 144 113.195 -11.349 -3.772 1035 HG23 VAL 144 2HG2 VAL 144 114.734 -10.624 -4.237 1036 H GLY 145 H GLY 145 113.337 -12.951 0.365 1037 HA2 GLY 145 1HA GLY 145 115.148 -12.044 2.514 1038 HA3 GLY 145 2HA GLY 145 113.518 -12.572 2.897 1039 H TYR 146 H TYR 146 115.819 -13.634 3.974 1040 HA TYR 146 HA TYR 146 115.855 -16.401 2.929 1041 HB2 TYR 146 1HB TYR 146 117.968 -15.155 2.453 1042 HB3 TYR 146 2HB TYR 146 118.152 -14.873 4.172 1043 HD1 TYR 146 HD1 TYR 146 118.651 -16.773 5.705 1044 HD2 TYR 146 HD2 TYR 146 118.506 -17.256 1.442 1045 HE1 TYR 146 HE1 TYR 146 119.869 -18.925 5.904 1046 HE2 TYR 146 HE2 TYR 146 119.716 -19.410 1.641 1047 HH TYR 146 HH TYR 146 119.930 -21.166 4.219 1048 H ARG 147 H ARG 147 116.146 -18.018 4.579 1049 HA ARG 147 HA ARG 147 115.278 -17.102 7.264 1050 HB2 ARG 147 1HB ARG 147 113.529 -18.305 5.980 1051 HB3 ARG 147 2HB ARG 147 114.608 -19.689 5.839 1052 HG2 ARG 147 1HG ARG 147 114.687 -19.846 8.322 1053 HG3 ARG 147 2HG ARG 147 113.530 -18.515 8.419 1054 HD2 ARG 147 1HD ARG 147 111.924 -19.852 7.068 1055 HD3 ARG 147 2HD ARG 147 113.067 -21.192 7.074 1056 HE ARG 147 HE ARG 147 112.454 -20.274 9.724 1057 HH11 ARG 147 1HH1 ARG 147 111.233 -22.290 7.121 1058 HH12 ARG 147 2HH1 ARG 147 110.331 -23.305 8.196 1059 HH21 ARG 147 1HH2 ARG 147 111.276 -21.622 11.057 1060 HH22 ARG 147 2HH2 ARG 147 110.354 -22.931 10.396 1061 H PHE 148 H PHE 148 116.308 -17.937 9.040 1062 HA PHE 148 HA PHE 148 117.978 -20.265 8.918 1063 HB2 PHE 148 1HB PHE 148 120.111 -19.177 9.330 1064 HB3 PHE 148 2HB PHE 148 119.453 -18.671 7.787 1065 HD1 PHE 148 HD1 PHE 148 118.492 -16.384 7.528 1066 HD2 PHE 148 HD2 PHE 148 120.462 -17.637 11.133 1067 HE1 PHE 148 HE1 PHE 148 118.720 -14.016 8.226 1068 HE2 PHE 148 HE2 PHE 148 120.689 -15.269 11.830 1069 HZ PHE 148 HZ PHE 148 119.818 -13.458 10.376 Start of MODEL 6 1 H1 ALA 1 3H ALA 1 116.040 -17.097 17.551 2 H2 ALA 1 2H ALA 1 116.542 -17.711 19.053 3 H3 ALA 1 HT3 ALA 1 114.890 -17.680 18.654 4 HA ALA 1 HA ALA 1 116.904 -19.619 17.996 5 HB1 ALA 1 2HB ALA 1 114.563 -19.780 19.189 6 HB2 ALA 1 3HB ALA 1 115.095 -21.083 18.128 7 HB3 ALA 1 1HB ALA 1 113.949 -19.880 17.538 8 H THR 2 H THR 2 114.410 -17.782 16.256 9 HA THR 2 HA THR 2 115.662 -18.615 13.700 10 HB THR 2 HB THR 2 112.738 -17.957 14.094 11 HG1 THR 2 HG1 THR 2 112.426 -19.987 14.549 12 HG21 THR 2 3HG2 THR 2 114.473 -18.908 11.835 13 HG22 THR 2 1HG2 THR 2 113.224 -17.664 11.831 14 HG23 THR 2 2HG2 THR 2 112.772 -19.368 11.879 15 H SER 3 H SER 3 115.792 -17.052 12.072 16 HA SER 3 HA SER 3 114.989 -14.316 12.652 17 HB2 SER 3 1HB SER 3 117.165 -14.555 13.834 18 HB3 SER 3 2HB SER 3 117.913 -15.021 12.309 19 HG SER 3 HG SER 3 117.061 -12.960 11.504 20 H THR 4 H THR 4 115.025 -12.981 10.799 21 HA THR 4 HA THR 4 115.570 -14.412 8.251 22 HB THR 4 HB THR 4 113.684 -13.339 7.244 23 HG1 THR 4 HG1 THR 4 112.825 -11.607 8.053 24 HG21 THR 4 3HG2 THR 4 112.507 -14.075 9.900 25 HG22 THR 4 1HG2 THR 4 113.341 -15.313 8.962 26 HG23 THR 4 2HG2 THR 4 111.944 -14.479 8.279 27 H VAL 5 H VAL 5 116.239 -13.122 6.490 28 HA VAL 5 HA VAL 5 117.009 -10.332 7.126 29 HB VAL 5 HB VAL 5 118.697 -12.295 5.549 30 HG11 VAL 5 1HG1 VAL 5 119.123 -9.418 6.402 31 HG12 VAL 5 2HG1 VAL 5 118.964 -10.015 4.751 32 HG13 VAL 5 3HG1 VAL 5 120.381 -10.443 5.711 33 HG21 VAL 5 3HG2 VAL 5 120.245 -12.193 7.442 34 HG22 VAL 5 1HG2 VAL 5 118.670 -12.752 8.002 35 HG23 VAL 5 2HG2 VAL 5 119.168 -11.086 8.294 36 H THR 6 H THR 6 115.885 -9.033 5.805 37 HA THR 6 HA THR 6 115.425 -9.921 3.015 38 HB THR 6 HB THR 6 113.455 -8.389 4.725 39 HG1 THR 6 HG1 THR 6 113.169 -11.024 3.781 40 HG21 THR 6 3HG2 THR 6 113.129 -9.715 2.021 41 HG22 THR 6 1HG2 THR 6 113.422 -7.991 2.245 42 HG23 THR 6 2HG2 THR 6 111.941 -8.721 2.864 43 H GLY 7 H GLY 7 115.677 -8.410 1.451 44 HA2 GLY 7 1HA GLY 7 116.023 -5.590 2.255 45 HA3 GLY 7 2HA GLY 7 117.218 -6.354 1.203 46 H GLY 8 H GLY 8 115.129 -4.136 0.786 47 HA2 GLY 8 1HA GLY 8 114.238 -5.092 -1.823 48 HA3 GLY 8 2HA GLY 8 112.957 -4.731 -0.672 49 H TYR 9 H TYR 9 112.619 -3.303 -2.697 50 HA TYR 9 HA TYR 9 113.841 -0.657 -2.191 51 HB2 TYR 9 1HB TYR 9 114.833 -1.699 -4.216 52 HB3 TYR 9 2HB TYR 9 113.224 -1.848 -4.901 53 HD1 TYR 9 HD1 TYR 9 115.871 0.528 -3.876 54 HD2 TYR 9 HD2 TYR 9 112.102 0.044 -5.880 55 HE1 TYR 9 HE1 TYR 9 116.076 2.815 -4.812 56 HE2 TYR 9 HE2 TYR 9 112.307 2.331 -6.816 57 HH TYR 9 HH TYR 9 114.567 3.915 -7.319 58 H ALA 10 H ALA 10 112.431 1.047 -2.288 59 HA ALA 10 HA ALA 10 109.608 0.434 -2.935 60 HB1 ALA 10 1HB ALA 10 110.254 2.401 -0.786 61 HB2 ALA 10 2HB ALA 10 110.385 0.684 -0.408 62 HB3 ALA 10 3HB ALA 10 108.850 1.350 -0.967 63 H GLN 11 H GLN 11 108.413 2.070 -3.855 64 HA GLN 11 HA GLN 11 109.933 4.464 -4.734 65 HB2 GLN 11 1HB GLN 11 109.257 2.863 -6.546 66 HB3 GLN 11 2HB GLN 11 107.574 3.149 -6.104 67 HG2 GLN 11 1HG GLN 11 107.827 5.537 -6.589 68 HG3 GLN 11 2HG GLN 11 109.528 5.296 -6.971 69 HE21 GLN 11 1HE2 GLN 11 108.056 6.410 -8.983 70 HE22 GLN 11 2HE2 GLN 11 107.731 5.280 -10.208 71 H SER 12 H SER 12 109.093 6.436 -4.167 72 HA SER 12 HA SER 12 106.476 6.407 -2.768 73 HB2 SER 12 1HB SER 12 108.448 6.962 -1.348 74 HB3 SER 12 2HB SER 12 108.793 8.322 -2.410 75 HG SER 12 HG SER 12 107.540 9.167 -0.839 76 H ASP 13 H ASP 13 104.902 7.653 -3.514 77 HA ASP 13 HA ASP 13 105.263 8.953 -6.068 78 HB2 ASP 13 1HB ASP 13 103.265 7.570 -5.537 79 HB3 ASP 13 2HB ASP 13 102.790 8.769 -4.335 80 H ALA 14 H ALA 14 105.521 11.050 -6.436 81 HA ALA 14 HA ALA 14 105.410 12.895 -4.140 82 HB1 ALA 14 1HB ALA 14 107.552 12.934 -5.166 83 HB2 ALA 14 2HB ALA 14 106.729 14.390 -5.726 84 HB3 ALA 14 3HB ALA 14 106.857 12.988 -6.787 85 H GLN 15 H GLN 15 104.191 14.710 -4.155 86 HA GLN 15 HA GLN 15 102.137 14.967 -6.217 87 HB2 GLN 15 1HB GLN 15 101.586 15.154 -3.766 88 HB3 GLN 15 2HB GLN 15 102.534 16.640 -3.724 89 HG2 GLN 15 1HG GLN 15 101.086 17.651 -5.416 90 HG3 GLN 15 2HG GLN 15 100.160 16.159 -5.543 91 HE21 GLN 15 1HE2 GLN 15 98.694 18.379 -4.897 92 HE22 GLN 15 2HE2 GLN 15 98.266 18.370 -3.253 93 H GLY 16 H GLY 16 101.784 17.067 -7.281 94 HA2 GLY 16 1HA GLY 16 104.010 17.785 -8.743 95 HA3 GLY 16 2HA GLY 16 102.568 18.781 -8.610 96 H GLN 17 H GLN 17 105.269 19.665 -8.876 97 HA GLN 17 HA GLN 17 106.784 21.154 -8.057 98 HB2 GLN 17 1HB GLN 17 104.811 21.663 -5.820 99 HB3 GLN 17 2HB GLN 17 106.144 22.695 -6.318 100 HG2 GLN 17 1HG GLN 17 103.736 21.985 -8.014 101 HG3 GLN 17 2HG GLN 17 104.022 23.533 -7.226 102 HE21 GLN 17 1HE2 GLN 17 104.059 22.340 -10.221 103 HE22 GLN 17 2HE2 GLN 17 105.396 23.151 -10.883 104 H MET 18 H MET 18 106.751 18.311 -7.160 105 HA MET 18 HA MET 18 108.861 18.667 -5.187 106 HB2 MET 18 1HB MET 18 106.496 16.854 -4.663 107 HB3 MET 18 2HB MET 18 107.994 16.847 -3.735 108 HG2 MET 18 1HG MET 18 107.616 19.297 -3.260 109 HG3 MET 18 2HG MET 18 106.022 19.127 -3.992 110 HE1 MET 18 3HE MET 18 104.018 16.892 -1.955 111 HE2 MET 18 1HE MET 18 105.273 15.885 -2.687 112 HE3 MET 18 2HE MET 18 104.603 17.250 -3.578 113 H ASN 19 H ASN 19 109.848 16.369 -4.735 114 HA ASN 19 HA ASN 19 110.126 15.065 -7.382 115 HB2 ASN 19 1HB ASN 19 112.110 15.323 -5.112 116 HB3 ASN 19 2HB ASN 19 112.396 14.457 -6.619 117 HD21 ASN 19 1HD2 ASN 19 113.891 16.824 -5.690 118 HD22 ASN 19 2HD2 ASN 19 113.638 18.038 -6.848 119 H LYS 20 H LYS 20 110.193 12.843 -7.530 120 HA LYS 20 HA LYS 20 108.900 11.325 -5.440 121 HB2 LYS 20 1HB LYS 20 110.165 10.459 -8.056 122 HB3 LYS 20 2HB LYS 20 109.191 9.426 -7.007 123 HG2 LYS 20 1HG LYS 20 107.253 10.853 -7.302 124 HG3 LYS 20 2HG LYS 20 108.205 12.026 -8.211 125 HD2 LYS 20 1HD LYS 20 107.000 10.706 -9.819 126 HD3 LYS 20 2HD LYS 20 108.684 10.188 -9.887 127 HE2 LYS 20 1HE LYS 20 108.179 8.274 -8.440 128 HE3 LYS 20 2HE LYS 20 106.502 8.802 -8.303 129 HZ1 LYS 20 3HZ LYS 20 106.508 7.192 -9.978 130 HZ2 LYS 20 1HZ LYS 20 107.916 7.802 -10.700 131 HZ3 LYS 20 2HZ LYS 20 106.461 8.669 -10.814 132 H MET 21 H MET 21 109.945 9.182 -4.688 133 HA MET 21 HA MET 21 112.843 9.636 -4.205 134 HB2 MET 21 1HB MET 21 110.744 9.044 -2.113 135 HB3 MET 21 2HB MET 21 112.485 9.027 -1.826 136 HG2 MET 21 1HG MET 21 112.569 11.407 -2.648 137 HG3 MET 21 2HG MET 21 110.807 11.396 -2.697 138 HE1 MET 21 3HE MET 21 109.695 10.871 0.889 139 HE2 MET 21 1HE MET 21 110.219 9.460 -0.037 140 HE3 MET 21 2HE MET 21 109.336 10.761 -0.832 141 H GLY 22 H GLY 22 114.089 7.816 -3.761 142 HA2 GLY 22 1HA GLY 22 112.733 5.195 -4.079 143 HA3 GLY 22 2HA GLY 22 114.355 5.534 -4.688 144 H GLY 23 H GLY 23 112.991 3.813 -2.381 145 HA2 GLY 23 1HA GLY 23 114.872 4.639 -0.237 146 HA3 GLY 23 2HA GLY 23 113.238 4.072 0.083 147 H PHE 24 H PHE 24 115.995 3.082 0.825 148 HA PHE 24 HA PHE 24 115.755 0.311 -0.183 149 HB2 PHE 24 1HB PHE 24 118.048 1.701 1.218 150 HB3 PHE 24 2HB PHE 24 118.037 0.015 0.742 151 HD1 PHE 24 HD1 PHE 24 118.270 3.494 -0.419 152 HD2 PHE 24 HD2 PHE 24 118.249 -0.634 -1.606 153 HE1 PHE 24 HE1 PHE 24 119.144 4.130 -2.651 154 HE2 PHE 24 HE2 PHE 24 119.124 0.002 -3.839 155 HZ PHE 24 HZ PHE 24 119.571 2.385 -4.361 156 H ASN 25 H ASN 25 115.232 -1.306 1.242 157 HA ASN 25 HA ASN 25 114.810 -0.499 4.067 158 HB2 ASN 25 1HB ASN 25 112.694 -0.515 2.775 159 HB3 ASN 25 2HB ASN 25 112.975 -2.210 2.380 160 HD21 ASN 25 1HD2 ASN 25 112.661 -0.038 5.240 161 HD22 ASN 25 2HD2 ASN 25 111.965 -1.221 6.238 162 H LEU 26 H LEU 26 115.570 -1.838 5.555 163 HA LEU 26 HA LEU 26 116.207 -4.634 4.787 164 HB2 LEU 26 1HB LEU 26 117.656 -2.674 6.557 165 HB3 LEU 26 2HB LEU 26 117.793 -4.398 6.869 166 HG LEU 26 HG LEU 26 119.641 -3.528 5.461 167 HD11 LEU 26 1HD1 LEU 26 119.726 -5.386 4.076 168 HD12 LEU 26 2HD1 LEU 26 118.010 -5.296 3.676 169 HD13 LEU 26 3HD1 LEU 26 118.515 -5.890 5.258 170 HD21 LEU 26 3HD2 LEU 26 117.942 -1.888 4.270 171 HD22 LEU 26 1HD2 LEU 26 117.750 -3.240 3.153 172 HD23 LEU 26 2HD2 LEU 26 119.339 -2.515 3.396 173 H LYS 27 H LYS 27 115.380 -6.247 6.140 174 HA LYS 27 HA LYS 27 113.756 -5.321 8.428 175 HB2 LYS 27 1HB LYS 27 112.339 -5.419 6.384 176 HB3 LYS 27 2HB LYS 27 112.731 -7.131 6.234 177 HG2 LYS 27 1HG LYS 27 111.789 -7.517 8.506 178 HG3 LYS 27 2HG LYS 27 111.319 -5.816 8.573 179 HD2 LYS 27 1HD LYS 27 109.990 -6.163 6.473 180 HD3 LYS 27 2HD LYS 27 110.352 -7.885 6.579 181 HE2 LYS 27 1HE LYS 27 109.252 -8.016 8.760 182 HE3 LYS 27 2HE LYS 27 108.950 -6.278 8.735 183 HZ1 LYS 27 3HZ LYS 27 107.786 -8.363 6.989 184 HZ2 LYS 27 1HZ LYS 27 107.741 -6.720 6.574 185 HZ3 LYS 27 2HZ LYS 27 106.980 -7.256 7.995 186 H TYR 28 H TYR 28 113.658 -6.688 10.115 187 HA TYR 28 HA TYR 28 114.782 -9.412 9.783 188 HB2 TYR 28 1HB TYR 28 114.946 -7.613 12.208 189 HB3 TYR 28 2HB TYR 28 115.560 -9.251 12.106 190 HD1 TYR 28 HD1 TYR 28 116.065 -5.749 11.111 191 HD2 TYR 28 HD2 TYR 28 117.595 -9.754 10.842 192 HE1 TYR 28 HE1 TYR 28 118.226 -4.867 10.268 193 HE2 TYR 28 HE2 TYR 28 119.757 -8.871 10.000 194 HH TYR 28 HH TYR 28 120.200 -5.406 9.360 195 H ARG 29 H ARG 29 113.581 -11.076 10.652 196 HA ARG 29 HA ARG 29 111.071 -10.345 12.046 197 HB2 ARG 29 1HB ARG 29 111.312 -12.349 9.788 198 HB3 ARG 29 2HB ARG 29 109.842 -11.940 10.667 199 HG2 ARG 29 1HG ARG 29 110.105 -9.565 9.890 200 HG3 ARG 29 2HG ARG 29 111.460 -10.089 8.896 201 HD2 ARG 29 1HD ARG 29 108.611 -11.097 8.679 202 HD3 ARG 29 2HD ARG 29 109.410 -9.999 7.559 203 HE ARG 29 HE ARG 29 110.684 -12.597 7.973 204 HH11 ARG 29 1HH1 ARG 29 108.604 -10.648 5.918 205 HH12 ARG 29 2HH1 ARG 29 108.850 -11.670 4.542 206 HH21 ARG 29 1HH2 ARG 29 110.955 -13.869 6.170 207 HH22 ARG 29 2HH2 ARG 29 110.161 -13.469 4.683 208 H TYR 30 H TYR 30 110.412 -11.804 13.634 209 HA TYR 30 HA TYR 30 112.184 -14.136 14.074 210 HB2 TYR 30 1HB TYR 30 110.344 -12.648 15.951 211 HB3 TYR 30 2HB TYR 30 111.215 -14.112 16.372 212 HD1 TYR 30 HD1 TYR 30 113.678 -14.086 16.593 213 HD2 TYR 30 HD2 TYR 30 111.443 -10.506 15.796 214 HE1 TYR 30 HE1 TYR 30 115.641 -12.716 17.241 215 HE2 TYR 30 HE2 TYR 30 113.405 -9.136 16.445 216 HH TYR 30 HH TYR 30 116.509 -10.418 16.783 217 H GLU 31 H GLU 31 111.319 -16.188 14.225 218 HA GLU 31 HA GLU 31 108.609 -16.460 13.150 219 HB2 GLU 31 1HB GLU 31 110.769 -18.525 13.640 220 HB3 GLU 31 2HB GLU 31 109.211 -18.846 12.878 221 HG2 GLU 31 1HG GLU 31 111.277 -16.877 11.858 222 HG3 GLU 31 2HG GLU 31 110.995 -18.483 11.197 223 H GLU 32 H GLU 32 106.913 -17.053 14.303 224 HA GLU 32 HA GLU 32 107.296 -18.122 17.016 225 HB2 GLU 32 1HB GLU 32 105.618 -15.704 16.316 226 HB3 GLU 32 2HB GLU 32 105.658 -16.497 17.894 227 HG2 GLU 32 1HG GLU 32 108.056 -15.279 16.494 228 HG3 GLU 32 2HG GLU 32 107.167 -14.528 17.814 229 H ASP 33 H ASP 33 105.461 -19.147 17.904 230 HA ASP 33 HA ASP 33 103.995 -20.654 15.951 231 HB2 ASP 33 1HB ASP 33 104.882 -21.255 18.403 232 HB3 ASP 33 2HB ASP 33 103.252 -20.751 18.838 233 H ASN 34 H ASN 34 101.537 -21.052 16.717 234 HA ASN 34 HA ASN 34 100.086 -18.891 15.753 235 HB2 ASN 34 1HB ASN 34 99.301 -21.252 15.863 236 HB3 ASN 34 2HB ASN 34 99.047 -21.048 17.595 237 HD21 ASN 34 1HD2 ASN 34 98.056 -19.637 14.436 238 HD22 ASN 34 2HD2 ASN 34 96.532 -19.125 14.981 239 H SER 35 H SER 35 100.974 -19.614 19.125 240 HA SER 35 HA SER 35 98.961 -17.716 20.070 241 HB2 SER 35 1HB SER 35 99.375 -19.980 21.130 242 HB3 SER 35 2HB SER 35 100.875 -19.308 21.763 243 HG SER 35 HG SER 35 98.630 -19.144 22.922 244 HA PRO 36 HA PRO 36 102.538 -14.997 20.937 245 HB2 PRO 36 1HB PRO 36 105.141 -15.855 20.288 246 HB3 PRO 36 2HB PRO 36 104.399 -15.883 21.895 247 HG2 PRO 36 1HG PRO 36 105.152 -18.094 20.346 248 HG3 PRO 36 2HG PRO 36 104.210 -18.107 21.846 249 HD2 PRO 36 1HD PRO 36 103.258 -18.277 19.029 250 HD3 PRO 36 2HD PRO 36 102.560 -19.001 20.495 251 H LEU 37 H LEU 37 102.831 -13.292 19.598 252 HA LEU 37 HA LEU 37 102.652 -13.699 16.749 253 HB2 LEU 37 1HB LEU 37 102.995 -11.136 18.320 254 HB3 LEU 37 2HB LEU 37 102.531 -11.262 16.624 255 HG LEU 37 HG LEU 37 100.955 -12.434 18.936 256 HD11 LEU 37 1HD1 LEU 37 100.957 -9.943 18.891 257 HD12 LEU 37 2HD1 LEU 37 99.369 -10.617 18.520 258 HD13 LEU 37 3HD1 LEU 37 100.389 -9.996 17.222 259 HD21 LEU 37 3HD2 LEU 37 100.497 -12.254 15.948 260 HD22 LEU 37 1HD2 LEU 37 99.188 -12.567 17.088 261 HD23 LEU 37 2HD2 LEU 37 100.529 -13.705 16.951 262 H GLY 38 H GLY 38 104.107 -12.722 15.192 263 HA2 GLY 38 1HA GLY 38 106.897 -13.207 15.930 264 HA3 GLY 38 2HA GLY 38 106.270 -12.984 14.298 265 H VAL 39 H VAL 39 108.531 -11.612 15.827 266 HA VAL 39 HA VAL 39 107.449 -8.859 15.980 267 HB VAL 39 HB VAL 39 110.066 -9.948 17.055 268 HG11 VAL 39 1HG1 VAL 39 108.645 -7.310 17.526 269 HG12 VAL 39 2HG1 VAL 39 110.066 -7.525 16.506 270 HG13 VAL 39 3HG1 VAL 39 110.178 -7.807 18.243 271 HG21 VAL 39 3HG2 VAL 39 108.041 -10.869 18.197 272 HG22 VAL 39 1HG2 VAL 39 107.513 -9.217 18.523 273 HG23 VAL 39 2HG2 VAL 39 109.000 -9.828 19.251 274 H ILE 40 H ILE 40 107.932 -7.476 14.381 275 HA ILE 40 HA ILE 40 110.290 -8.081 12.683 276 HB ILE 40 HB ILE 40 109.021 -7.331 10.739 277 HG12 ILE 40 1HG1 ILE 40 106.573 -7.254 12.514 278 HG13 ILE 40 2HG1 ILE 40 107.478 -5.798 12.103 279 HG21 ILE 40 1HG2 ILE 40 107.785 -9.302 10.450 280 HG22 ILE 40 2HG2 ILE 40 107.245 -9.324 12.129 281 HG23 ILE 40 3HG2 ILE 40 108.911 -9.746 11.732 282 HD11 ILE 40 3HD1 ILE 40 105.470 -6.380 10.605 283 HD12 ILE 40 1HD1 ILE 40 106.468 -7.689 9.975 284 HD13 ILE 40 2HD1 ILE 40 106.993 -6.015 9.794 285 H GLY 41 H GLY 41 111.505 -6.366 12.005 286 HA2 GLY 41 1HA GLY 41 110.603 -3.640 12.642 287 HA3 GLY 41 2HA GLY 41 112.126 -4.192 13.342 288 H SER 42 H SER 42 111.446 -2.100 11.215 289 HA SER 42 HA SER 42 113.394 -3.041 9.219 290 HB2 SER 42 1HB SER 42 110.834 -3.377 8.596 291 HB3 SER 42 2HB SER 42 110.955 -1.668 8.191 292 HG SER 42 HG SER 42 111.514 -2.998 6.421 293 H PHE 43 H PHE 43 114.557 -1.457 8.213 294 HA PHE 43 HA PHE 43 114.092 1.330 9.122 295 HB2 PHE 43 1HB PHE 43 116.716 -0.040 8.501 296 HB3 PHE 43 2HB PHE 43 116.527 1.647 8.939 297 HD1 PHE 43 HD1 PHE 43 115.956 2.289 11.245 298 HD2 PHE 43 HD2 PHE 43 116.554 -1.816 10.139 299 HE1 PHE 43 HE1 PHE 43 116.147 1.674 13.640 300 HE2 PHE 43 HE2 PHE 43 116.745 -2.433 12.533 301 HZ PHE 43 HZ PHE 43 116.542 -0.689 14.284 302 H THR 44 H THR 44 113.881 2.822 7.527 303 HA THR 44 HA THR 44 114.629 2.023 4.767 304 HB THR 44 HB THR 44 112.205 3.656 5.554 305 HG1 THR 44 HG1 THR 44 111.534 1.718 6.063 306 HG21 THR 44 3HG2 THR 44 113.173 2.476 2.937 307 HG22 THR 44 1HG2 THR 44 113.029 4.188 3.335 308 HG23 THR 44 2HG2 THR 44 111.581 3.195 3.172 309 H TYR 45 H TYR 45 115.815 3.448 3.665 310 HA TYR 45 HA TYR 45 115.921 6.259 4.612 311 HB2 TYR 45 1HB TYR 45 117.984 5.019 5.211 312 HB3 TYR 45 2HB TYR 45 118.218 4.623 3.518 313 HD1 TYR 45 HD2 TYR 45 118.365 7.267 6.067 314 HD2 TYR 45 HD1 TYR 45 118.944 6.325 1.917 315 HE1 TYR 45 HE2 TYR 45 119.600 9.396 5.756 316 HE2 TYR 45 HE1 TYR 45 120.179 8.452 1.606 317 HH TYR 45 HH TYR 45 121.595 10.054 3.542 318 H THR 46 H THR 46 115.722 7.802 3.001 319 HA THR 46 HA THR 46 115.187 6.727 0.301 320 HB THR 46 HB THR 46 113.896 8.775 -0.061 321 HG1 THR 46 HG1 THR 46 115.170 10.084 1.349 322 HG21 THR 46 3HG2 THR 46 112.930 6.718 1.087 323 HG22 THR 46 1HG2 THR 46 112.063 8.227 1.371 324 HG23 THR 46 2HG2 THR 46 113.137 7.580 2.611 325 H GLU 47 H GLU 47 116.021 7.691 -1.524 326 HA GLU 47 HA GLU 47 118.086 9.752 -1.214 327 HB2 GLU 47 1HB GLU 47 119.146 7.467 -1.036 328 HB3 GLU 47 2HB GLU 47 118.587 7.149 -2.675 329 HG2 GLU 47 1HG GLU 47 119.850 9.138 -3.467 330 HG3 GLU 47 2HG GLU 47 120.445 9.390 -1.831 331 H LYS 48 H LYS 48 118.501 10.897 -3.157 332 HA LYS 48 HA LYS 48 116.857 10.168 -5.500 333 HB2 LYS 48 1HB LYS 48 115.781 12.045 -4.256 334 HB3 LYS 48 2HB LYS 48 117.251 12.994 -4.484 335 HG2 LYS 48 1HG LYS 48 117.014 12.717 -6.948 336 HG3 LYS 48 2HG LYS 48 115.496 11.864 -6.683 337 HD2 LYS 48 1HD LYS 48 114.615 13.879 -5.501 338 HD3 LYS 48 2HD LYS 48 116.103 14.731 -5.914 339 HE2 LYS 48 1HE LYS 48 114.299 15.223 -7.540 340 HE3 LYS 48 2HE LYS 48 115.657 14.399 -8.304 341 HZ1 LYS 48 3HZ LYS 48 113.502 12.753 -7.212 342 HZ2 LYS 48 1HZ LYS 48 114.475 12.496 -8.578 343 HZ3 LYS 48 2HZ LYS 48 113.189 13.604 -8.648 344 H SER 49 H SER 49 117.891 10.298 -7.416 345 HA SER 49 HA SER 49 120.161 11.987 -7.865 346 HB2 SER 49 1HB SER 49 121.863 10.297 -8.114 347 HB3 SER 49 2HB SER 49 121.165 10.142 -6.505 348 HG SER 49 HG SER 49 121.101 8.431 -8.654 349 H ARG 50 H ARG 50 117.603 11.445 -9.125 350 HA ARG 50 HA ARG 50 117.818 9.815 -11.411 351 HB2 ARG 50 1HB ARG 50 116.218 12.366 -11.086 352 HB3 ARG 50 2HB ARG 50 115.942 11.111 -12.294 353 HG2 ARG 50 1HG ARG 50 115.824 10.641 -9.301 354 HG3 ARG 50 2HG ARG 50 114.410 10.952 -10.309 355 HD2 ARG 50 1HD ARG 50 115.038 8.966 -11.703 356 HD3 ARG 50 2HD ARG 50 116.330 8.621 -10.557 357 HE ARG 50 HE ARG 50 114.747 7.725 -9.153 358 HH11 ARG 50 1HH1 ARG 50 113.088 9.882 -11.371 359 HH12 ARG 50 2HH1 ARG 50 111.521 9.464 -10.761 360 HH21 ARG 50 1HH2 ARG 50 112.703 7.226 -8.411 361 HH22 ARG 50 2HH2 ARG 50 111.307 7.979 -9.108 362 H THR 51 H THR 51 118.666 13.211 -10.872 363 HA THR 51 HA THR 51 120.181 13.164 -13.415 364 HB THR 51 HB THR 51 118.702 15.548 -12.275 365 HG1 THR 51 HG1 THR 51 117.201 14.164 -13.089 366 HG21 THR 51 3HG2 THR 51 120.182 15.083 -14.881 367 HG22 THR 51 1HG2 THR 51 120.687 16.148 -13.569 368 HG23 THR 51 2HG2 THR 51 119.240 16.524 -14.501 369 H ALA 52 H ALA 52 122.229 13.965 -13.326 370 HA ALA 52 HA ALA 52 123.298 14.531 -10.673 371 HB1 ALA 52 1HB ALA 52 125.490 14.430 -11.797 372 HB2 ALA 52 2HB ALA 52 124.680 14.277 -13.356 373 HB3 ALA 52 3HB ALA 52 124.522 12.998 -12.150 374 H SER 53 H SER 53 122.569 16.585 -10.155 375 HA SER 53 HA SER 53 123.893 18.756 -11.629 376 HB2 SER 53 1HB SER 53 121.550 18.627 -12.449 377 HB3 SER 53 2HB SER 53 120.985 18.832 -10.795 378 HG SER 53 HG SER 53 121.512 20.885 -10.878 379 H SER 54 H SER 54 124.722 20.310 -10.335 380 HA SER 54 HA SER 54 125.000 19.850 -7.568 381 HB2 SER 54 1HB SER 54 126.131 21.987 -7.501 382 HB3 SER 54 2HB SER 54 126.591 21.148 -8.977 383 HG SER 54 HG SER 54 124.896 23.358 -8.597 384 H GLY 55 H GLY 55 122.589 21.659 -9.362 385 HA2 GLY 55 1HA GLY 55 121.739 23.327 -7.209 386 HA3 GLY 55 2HA GLY 55 120.852 23.018 -8.696 387 H ASP 56 H ASP 56 120.691 20.158 -8.420 388 HA ASP 56 HA ASP 56 119.216 19.746 -5.927 389 HB2 ASP 56 1HB ASP 56 117.584 20.731 -7.516 390 HB3 ASP 56 2HB ASP 56 117.896 19.398 -8.626 391 H TYR 57 H TYR 57 120.843 18.188 -5.500 392 HA TYR 57 HA TYR 57 120.294 15.624 -6.853 393 HB2 TYR 57 1HB TYR 57 122.433 16.507 -7.700 394 HB3 TYR 57 2HB TYR 57 123.028 16.634 -6.054 395 HD1 TYR 57 HD1 TYR 57 123.656 14.636 -4.786 396 HD2 TYR 57 HD2 TYR 57 122.201 14.358 -8.819 397 HE1 TYR 57 HE1 TYR 57 124.471 12.297 -4.921 398 HE2 TYR 57 HE2 TYR 57 123.013 12.020 -8.952 399 HH TYR 57 HH TYR 57 125.146 10.724 -7.351 400 H ASN 58 H ASN 58 119.691 14.116 -5.436 401 HA ASN 58 HA ASN 58 119.300 13.032 -3.449 402 HB2 ASN 58 1HB ASN 58 121.850 12.863 -3.728 403 HB3 ASN 58 2HB ASN 58 121.943 14.131 -2.509 404 HD21 ASN 58 1HD2 ASN 58 122.965 12.535 -1.028 405 HD22 ASN 58 2HD2 ASN 58 122.005 11.379 -0.239 406 H LYS 59 H LYS 59 118.096 15.524 -3.645 407 HA LYS 59 HA LYS 59 118.553 16.910 -1.108 408 HB2 LYS 59 1HB LYS 59 116.562 17.516 -3.308 409 HB3 LYS 59 2HB LYS 59 116.962 18.558 -1.944 410 HG2 LYS 59 1HG LYS 59 118.935 17.655 -4.064 411 HG3 LYS 59 2HG LYS 59 118.147 19.232 -4.027 412 HD2 LYS 59 1HD LYS 59 119.134 19.590 -1.738 413 HD3 LYS 59 2HD LYS 59 120.052 18.099 -1.961 414 HE2 LYS 59 1HE LYS 59 121.278 18.996 -3.784 415 HE3 LYS 59 2HE LYS 59 120.168 20.354 -3.967 416 HZ1 LYS 59 3HZ LYS 59 121.106 21.471 -2.268 417 HZ2 LYS 59 1HZ LYS 59 122.461 20.529 -2.661 418 HZ3 LYS 59 2HZ LYS 59 121.453 20.068 -1.374 419 H ASN 60 H ASN 60 116.887 17.250 0.434 420 HA ASN 60 HA ASN 60 115.188 16.563 1.817 421 HB2 ASN 60 1HB ASN 60 113.870 17.072 -0.315 422 HB3 ASN 60 2HB ASN 60 113.889 15.335 -0.615 423 HD21 ASN 60 1HD2 ASN 60 112.076 14.291 0.199 424 HD22 ASN 60 2HD2 ASN 60 111.184 14.794 1.552 425 H GLN 61 H GLN 61 115.796 15.015 3.193 426 HA GLN 61 HA GLN 61 116.124 12.248 2.167 427 HB2 GLN 61 1HB GLN 61 117.491 13.621 4.495 428 HB3 GLN 61 2HB GLN 61 117.663 11.912 4.089 429 HG2 GLN 61 1HG GLN 61 118.579 12.490 1.900 430 HG3 GLN 61 2HG GLN 61 118.338 14.205 2.225 431 HE21 GLN 61 1HE2 GLN 61 120.933 13.143 1.637 432 HE22 GLN 61 2HE2 GLN 61 121.891 13.282 3.032 433 H TYR 62 H TYR 62 115.192 10.571 3.337 434 HA TYR 62 HA TYR 62 113.473 11.327 5.619 435 HB2 TYR 62 1HB TYR 62 112.085 11.289 3.612 436 HB3 TYR 62 2HB TYR 62 112.668 9.684 3.218 437 HD1 TYR 62 HD1 TYR 62 110.574 11.660 5.545 438 HD2 TYR 62 HD2 TYR 62 111.772 7.730 4.294 439 HE1 TYR 62 HE1 TYR 62 108.706 10.677 6.845 440 HE2 TYR 62 HE2 TYR 62 109.906 6.745 5.595 441 HH TYR 62 HH TYR 62 107.952 7.234 6.655 442 H TYR 63 H TYR 63 113.485 9.901 7.258 443 HA TYR 63 HA TYR 63 114.538 7.182 6.780 444 HB2 TYR 63 1HB TYR 63 116.334 8.642 7.704 445 HB3 TYR 63 2HB TYR 63 115.313 8.966 9.093 446 HD1 TYR 63 HD1 TYR 63 117.271 6.383 7.308 447 HD2 TYR 63 HD2 TYR 63 115.065 7.350 10.865 448 HE1 TYR 63 HE1 TYR 63 118.171 4.356 8.417 449 HE2 TYR 63 HE2 TYR 63 115.964 5.323 11.974 450 HH TYR 63 HH TYR 63 117.711 2.893 10.223 451 H GLY 64 H GLY 64 113.405 5.607 7.834 452 HA2 GLY 64 1HA GLY 64 111.479 6.443 9.915 453 HA3 GLY 64 2HA GLY 64 110.914 5.537 8.518 454 H ILE 65 H ILE 65 111.128 5.002 11.508 455 HA ILE 65 HA ILE 65 112.344 2.303 11.251 456 HB ILE 65 HB ILE 65 112.068 3.952 13.781 457 HG12 ILE 65 1HG1 ILE 65 114.574 3.255 12.218 458 HG13 ILE 65 2HG1 ILE 65 113.781 4.828 12.160 459 HG21 ILE 65 1HG2 ILE 65 113.379 2.181 14.807 460 HG22 ILE 65 2HG2 ILE 65 113.555 1.362 13.254 461 HG23 ILE 65 3HG2 ILE 65 111.972 1.458 14.027 462 HD11 ILE 65 3HD1 ILE 65 115.255 3.536 14.432 463 HD12 ILE 65 1HD1 ILE 65 113.975 4.696 14.784 464 HD13 ILE 65 2HD1 ILE 65 115.370 5.188 13.824 465 H THR 66 H THR 66 110.859 0.705 11.350 466 HA THR 66 HA THR 66 108.268 1.286 12.683 467 HB THR 66 HB THR 66 107.195 -0.128 10.979 468 HG1 THR 66 HG1 THR 66 109.818 -0.176 9.915 469 HG21 THR 66 3HG2 THR 66 106.998 2.092 10.346 470 HG22 THR 66 1HG2 THR 66 107.859 1.436 8.956 471 HG23 THR 66 2HG2 THR 66 108.740 2.321 10.199 472 H ALA 67 H ALA 67 107.263 -0.401 13.765 473 HA ALA 67 HA ALA 67 108.536 -3.036 13.800 474 HB1 ALA 67 1HB ALA 67 108.304 -1.191 16.151 475 HB2 ALA 67 2HB ALA 67 109.621 -2.278 15.714 476 HB3 ALA 67 3HB ALA 67 108.132 -2.927 16.402 477 H GLY 68 H GLY 68 107.031 -4.721 14.326 478 HA2 GLY 68 1HA GLY 68 104.361 -4.088 15.190 479 HA3 GLY 68 2HA GLY 68 104.445 -4.349 13.457 480 HA PRO 69 HA PRO 69 104.309 -8.578 15.299 481 HB2 PRO 69 1HB PRO 69 101.702 -9.055 15.830 482 HB3 PRO 69 2HB PRO 69 102.766 -8.246 16.996 483 HG2 PRO 69 1HG PRO 69 100.584 -7.147 15.395 484 HG3 PRO 69 2HG PRO 69 101.337 -6.518 16.868 485 HD2 PRO 69 1HD PRO 69 101.842 -5.733 14.123 486 HD3 PRO 69 2HD PRO 69 102.501 -5.025 15.614 487 H ALA 70 H ALA 70 104.546 -9.910 13.619 488 HA ALA 70 HA ALA 70 102.782 -9.947 11.321 489 HB1 ALA 70 1HB ALA 70 105.345 -10.557 11.482 490 HB2 ALA 70 2HB ALA 70 104.285 -11.436 10.377 491 HB3 ALA 70 3HB ALA 70 104.721 -12.144 11.934 492 H TYR 71 H TYR 71 101.232 -11.534 10.855 493 HA TYR 71 HA TYR 71 100.667 -13.497 13.003 494 HB2 TYR 71 1HB TYR 71 98.888 -11.784 12.703 495 HB3 TYR 71 2HB TYR 71 98.742 -12.262 11.022 496 HD1 TYR 71 HD1 TYR 71 97.695 -14.384 10.402 497 HD2 TYR 71 HD2 TYR 71 98.069 -13.196 14.512 498 HE1 TYR 71 HE1 TYR 71 96.066 -16.136 11.057 499 HE2 TYR 71 HE2 TYR 71 96.439 -14.946 15.166 500 HH TYR 71 HH TYR 71 95.652 -17.485 13.375 501 H ARG 72 H ARG 72 100.920 -15.582 12.393 502 HA ARG 72 HA ARG 72 101.600 -16.024 9.559 503 HB2 ARG 72 1HB ARG 72 102.255 -17.615 12.043 504 HB3 ARG 72 2HB ARG 72 102.735 -18.063 10.406 505 HG2 ARG 72 1HG ARG 72 103.944 -15.917 10.178 506 HG3 ARG 72 2HG ARG 72 103.488 -15.493 11.829 507 HD2 ARG 72 1HD ARG 72 105.718 -16.405 11.912 508 HD3 ARG 72 2HD ARG 72 104.627 -17.604 12.602 509 HE ARG 72 HE ARG 72 105.126 -17.921 9.763 510 HH11 ARG 72 1HH1 ARG 72 106.197 -18.815 12.984 511 HH12 ARG 72 2HH1 ARG 72 106.999 -20.246 12.430 512 HH21 ARG 72 1HH2 ARG 72 106.172 -19.777 9.107 513 HH22 ARG 72 2HH2 ARG 72 106.984 -20.783 10.261 514 H ILE 73 H ILE 73 99.825 -16.575 8.480 515 HA ILE 73 HA ILE 73 98.305 -18.921 9.354 516 HB ILE 73 HB ILE 73 96.984 -18.530 7.251 517 HG12 ILE 73 1HG1 ILE 73 98.437 -15.877 7.167 518 HG13 ILE 73 2HG1 ILE 73 98.869 -17.227 6.117 519 HG21 ILE 73 1HG2 ILE 73 97.211 -16.256 9.243 520 HG22 ILE 73 2HG2 ILE 73 96.208 -17.697 9.410 521 HG23 ILE 73 3HG2 ILE 73 95.843 -16.510 8.158 522 HD11 ILE 73 3HD1 ILE 73 96.023 -16.236 6.282 523 HD12 ILE 73 1HD1 ILE 73 96.789 -17.182 5.006 524 HD13 ILE 73 2HD1 ILE 73 97.192 -15.476 5.204 525 H ASN 74 H ASN 74 98.596 -20.934 8.443 526 HA ASN 74 HA ASN 74 101.231 -21.410 7.572 527 HB2 ASN 74 1HB ASN 74 100.559 -23.735 7.359 528 HB3 ASN 74 2HB ASN 74 99.865 -23.040 8.820 529 HD21 ASN 74 1HD2 ASN 74 98.720 -25.350 7.563 530 HD22 ASN 74 2HD2 ASN 74 97.196 -24.918 6.952 531 H ASP 75 H ASP 75 98.427 -20.608 5.678 532 HA ASP 75 HA ASP 75 99.442 -21.563 3.174 533 HB2 ASP 75 1HB ASP 75 97.531 -19.298 3.806 534 HB3 ASP 75 2HB ASP 75 97.845 -19.932 2.193 535 H TRP 76 H TRP 76 99.928 -19.770 1.419 536 HA TRP 76 HA TRP 76 102.229 -18.286 2.418 537 HB2 TRP 76 1HB TRP 76 101.183 -18.534 -0.402 538 HB3 TRP 76 2HB TRP 76 102.753 -17.924 0.080 539 HD1 TRP 76 HD1 TRP 76 101.420 -20.805 -1.452 540 HE1 TRP 76 HE1 TRP 76 102.792 -22.932 -0.969 541 HE3 TRP 76 HE3 TRP 76 104.148 -19.204 2.557 542 HZ2 TRP 76 HZ2 TRP 76 104.785 -23.839 0.878 543 HZ3 TRP 76 HZ3 TRP 76 105.770 -20.716 3.658 544 HH2 TRP 76 HH2 TRP 76 106.093 -23.029 2.828 545 H ALA 77 H ALA 77 99.862 -17.251 3.418 546 HA ALA 77 HA ALA 77 99.434 -14.766 1.880 547 HB1 ALA 77 1HB ALA 77 97.497 -16.667 3.098 548 HB2 ALA 77 2HB ALA 77 97.383 -15.742 1.603 549 HB3 ALA 77 3HB ALA 77 97.105 -14.948 3.152 550 H SER 78 H SER 78 101.354 -15.187 4.157 551 HA SER 78 HA SER 78 99.984 -14.579 6.612 552 HB2 SER 78 1HB SER 78 102.102 -15.916 6.499 553 HB3 SER 78 2HB SER 78 102.950 -14.446 6.033 554 HG SER 78 HG SER 78 102.820 -15.072 8.375 555 H ILE 79 H ILE 79 100.238 -12.621 7.877 556 HA ILE 79 HA ILE 79 100.651 -10.256 6.148 557 HB ILE 79 HB ILE 79 98.268 -10.858 6.050 558 HG12 ILE 79 1HG1 ILE 79 98.593 -8.444 7.842 559 HG13 ILE 79 2HG1 ILE 79 99.095 -8.439 6.150 560 HG21 ILE 79 1HG2 ILE 79 98.196 -12.018 8.262 561 HG22 ILE 79 2HG2 ILE 79 96.887 -10.853 8.051 562 HG23 ILE 79 3HG2 ILE 79 98.280 -10.443 9.051 563 HD11 ILE 79 3HD1 ILE 79 96.899 -7.619 6.032 564 HD12 ILE 79 1HD1 ILE 79 96.322 -8.713 7.292 565 HD13 ILE 79 2HD1 ILE 79 96.689 -9.336 5.684 566 H TYR 80 H TYR 80 101.649 -8.640 7.138 567 HA TYR 80 HA TYR 80 101.720 -8.606 10.103 568 HB2 TYR 80 1HB TYR 80 104.030 -7.883 10.011 569 HB3 TYR 80 2HB TYR 80 103.853 -9.423 9.191 570 HD1 TYR 80 HD1 TYR 80 104.497 -5.818 8.775 571 HD2 TYR 80 HD2 TYR 80 104.162 -9.611 6.785 572 HE1 TYR 80 HE1 TYR 80 105.561 -4.851 6.755 573 HE2 TYR 80 HE2 TYR 80 105.224 -8.643 4.764 574 HH TYR 80 HH TYR 80 106.950 -6.492 4.449 575 H GLY 81 H GLY 81 101.545 -6.624 11.067 576 HA2 GLY 81 1HA GLY 81 101.312 -4.259 9.275 577 HA3 GLY 81 2HA GLY 81 100.211 -4.527 10.627 578 H VAL 82 H VAL 82 102.358 -2.408 9.969 579 HA VAL 82 HA VAL 82 103.751 -2.541 12.571 580 HB VAL 82 HB VAL 82 105.823 -1.741 11.478 581 HG11 VAL 82 1HG1 VAL 82 105.801 -4.073 11.881 582 HG12 VAL 82 2HG1 VAL 82 106.271 -3.928 10.189 583 HG13 VAL 82 3HG1 VAL 82 104.616 -4.368 10.609 584 HG21 VAL 82 3HG2 VAL 82 105.994 -1.933 9.006 585 HG22 VAL 82 1HG2 VAL 82 104.815 -0.713 9.487 586 HG23 VAL 82 2HG2 VAL 82 104.270 -2.296 8.929 587 H VAL 83 H VAL 83 104.435 -0.534 13.398 588 HA VAL 83 HA VAL 83 103.454 1.877 11.996 589 HB VAL 83 HB VAL 83 102.867 2.839 14.207 590 HG11 VAL 83 1HG1 VAL 83 101.414 0.215 14.005 591 HG12 VAL 83 2HG1 VAL 83 101.297 1.382 12.689 592 HG13 VAL 83 3HG1 VAL 83 100.764 1.826 14.310 593 HG21 VAL 83 3HG2 VAL 83 102.735 1.349 16.167 594 HG22 VAL 83 1HG2 VAL 83 104.393 1.438 15.571 595 HG23 VAL 83 2HG2 VAL 83 103.402 0.024 15.212 596 H GLY 84 H GLY 84 104.875 3.637 12.094 597 HA2 GLY 84 1HA GLY 84 107.318 3.325 13.685 598 HA3 GLY 84 2HA GLY 84 107.496 3.373 11.936 599 H VAL 85 H VAL 85 108.826 5.225 13.182 600 HA VAL 85 HA VAL 85 107.213 7.707 12.920 601 HB VAL 85 HB VAL 85 109.798 7.311 14.456 602 HG11 VAL 85 1HG1 VAL 85 109.584 9.583 13.647 603 HG12 VAL 85 2HG1 VAL 85 109.172 9.579 15.361 604 HG13 VAL 85 3HG1 VAL 85 107.895 9.650 14.147 605 HG21 VAL 85 3HG2 VAL 85 108.035 6.167 15.638 606 HG22 VAL 85 1HG2 VAL 85 106.909 7.496 15.354 607 HG23 VAL 85 2HG2 VAL 85 108.277 7.717 16.446 608 H GLY 86 H GLY 86 107.739 9.005 11.261 609 HA2 GLY 86 1HA GLY 86 110.294 8.468 9.834 610 HA3 GLY 86 2HA GLY 86 108.804 8.965 9.042 611 H TYR 87 H TYR 87 111.640 10.136 9.421 612 HA TYR 87 HA TYR 87 110.741 12.873 10.122 613 HB2 TYR 87 1HB TYR 87 113.497 11.696 10.507 614 HB3 TYR 87 2HB TYR 87 112.996 13.324 10.919 615 HD1 TYR 87 HD1 TYR 87 111.395 13.694 12.809 616 HD2 TYR 87 HD2 TYR 87 113.061 9.834 11.936 617 HE1 TYR 87 HE1 TYR 87 110.744 12.902 15.068 618 HE2 TYR 87 HE2 TYR 87 112.411 9.042 14.194 619 HH TYR 87 HH TYR 87 111.019 9.535 15.983 620 H GLY 88 H GLY 88 111.190 14.438 8.663 621 HA2 GLY 88 1HA GLY 88 112.895 13.737 6.334 622 HA3 GLY 88 2HA GLY 88 111.404 14.662 6.180 623 H LYS 89 H LYS 89 114.379 15.247 5.678 624 HA LYS 89 HA LYS 89 114.407 17.853 7.079 625 HB2 LYS 89 1HB LYS 89 115.954 16.133 8.146 626 HB3 LYS 89 2HB LYS 89 116.894 16.197 6.654 627 HG2 LYS 89 1HG LYS 89 116.895 18.760 6.993 628 HG3 LYS 89 2HG LYS 89 116.391 18.406 8.646 629 HD2 LYS 89 1HD LYS 89 118.828 17.151 7.361 630 HD3 LYS 89 2HD LYS 89 118.896 18.630 8.324 631 HE2 LYS 89 1HE LYS 89 117.863 17.407 10.228 632 HE3 LYS 89 2HE LYS 89 117.897 15.928 9.269 633 HZ1 LYS 89 3HZ LYS 89 120.102 15.705 9.524 634 HZ2 LYS 89 1HZ LYS 89 119.864 16.674 10.895 635 HZ3 LYS 89 2HZ LYS 89 120.404 17.375 9.443 636 H PHE 90 H PHE 90 115.024 19.561 5.856 637 HA PHE 90 HA PHE 90 115.800 19.010 3.054 638 HB2 PHE 90 1HB PHE 90 113.661 20.223 3.411 639 HB3 PHE 90 2HB PHE 90 114.548 21.492 4.235 640 HD1 PHE 90 HD1 PHE 90 113.954 19.835 0.983 641 HD2 PHE 90 HD2 PHE 90 115.824 23.129 3.007 642 HE1 PHE 90 HE1 PHE 90 114.372 20.936 -1.199 643 HE2 PHE 90 HE2 PHE 90 116.240 24.233 0.826 644 HZ PHE 90 HZ PHE 90 115.514 23.138 -1.278 645 H GLN 91 H GLN 91 117.697 19.785 2.286 646 HA GLN 91 HA GLN 91 119.411 21.257 4.186 647 HB2 GLN 91 1HB GLN 91 120.107 19.578 1.765 648 HB3 GLN 91 2HB GLN 91 121.280 20.442 2.761 649 HG2 GLN 91 1HG GLN 91 120.610 19.155 4.727 650 HG3 GLN 91 2HG GLN 91 119.361 18.336 3.794 651 HE21 GLN 91 1HE2 GLN 91 121.457 16.883 5.106 652 HE22 GLN 91 2HE2 GLN 91 122.439 16.177 3.915 653 H THR 92 H THR 92 120.334 23.176 3.664 654 HA THR 92 HA THR 92 119.508 24.418 1.110 655 HB THR 92 HB THR 92 120.456 25.792 3.634 656 HG1 THR 92 HG1 THR 92 117.907 25.026 2.712 657 HG21 THR 92 3HG2 THR 92 119.001 27.624 2.382 658 HG22 THR 92 1HG2 THR 92 119.427 26.672 0.962 659 HG23 THR 92 2HG2 THR 92 120.695 27.378 1.966 660 H THR 93 H THR 93 121.025 25.230 -0.269 661 HA THR 93 HA THR 93 123.857 24.720 0.436 662 HB THR 93 HB THR 93 124.237 24.435 -1.974 663 HG1 THR 93 HG1 THR 93 122.400 24.378 -3.324 664 HG21 THR 93 3HG2 THR 93 123.139 22.294 -2.190 665 HG22 THR 93 1HG2 THR 93 121.894 22.765 -1.032 666 HG23 THR 93 2HG2 THR 93 123.553 22.518 -0.490 667 H GLU 94 H GLU 94 122.364 27.230 0.981 668 HA GLU 94 HA GLU 94 122.646 29.502 0.781 669 HB2 GLU 94 1HB GLU 94 124.965 28.796 1.402 670 HB3 GLU 94 2HB GLU 94 125.362 28.749 -0.315 671 HG2 GLU 94 1HG GLU 94 124.679 31.135 -0.506 672 HG3 GLU 94 2HG GLU 94 124.390 31.170 1.227 673 H TYR 95 H TYR 95 121.072 29.786 -0.840 674 HA TYR 95 HA TYR 95 122.195 30.418 -3.499 675 HB2 TYR 95 1HB TYR 95 119.940 28.624 -2.787 676 HB3 TYR 95 2HB TYR 95 119.697 29.667 -4.174 677 HD1 TYR 95 HD1 TYR 95 122.500 27.576 -2.792 678 HD2 TYR 95 HD2 TYR 95 120.130 28.657 -6.207 679 HE1 TYR 95 HE1 TYR 95 123.795 25.991 -4.194 680 HE2 TYR 95 HE2 TYR 95 121.423 27.072 -7.609 681 HH TYR 95 HH TYR 95 124.346 25.738 -6.650 682 HA PRO 96 HA PRO 96 120.190 34.362 -3.446 683 HB2 PRO 96 1HB PRO 96 118.245 33.413 -5.519 684 HB3 PRO 96 2HB PRO 96 119.205 34.906 -5.473 685 HG2 PRO 96 1HG PRO 96 119.901 32.863 -7.022 686 HG3 PRO 96 2HG PRO 96 121.113 33.867 -6.206 687 HD2 PRO 96 1HD PRO 96 120.287 31.079 -5.607 688 HD3 PRO 96 2HD PRO 96 121.830 31.896 -5.282 689 H THR 97 H THR 97 118.079 31.538 -3.436 690 HA THR 97 HA THR 97 115.892 32.925 -2.135 691 HB THR 97 HB THR 97 116.332 29.949 -2.477 692 HG1 THR 97 HG1 THR 97 116.294 31.233 -4.438 693 HG21 THR 97 3HG2 THR 97 113.909 31.655 -1.851 694 HG22 THR 97 1HG2 THR 97 114.641 30.426 -0.820 695 HG23 THR 97 2HG2 THR 97 113.817 29.953 -2.305 696 H TYR 98 H TYR 98 115.367 32.869 0.022 697 HA TYR 98 HA TYR 98 117.553 32.093 1.815 698 HB2 TYR 98 1HB TYR 98 116.490 34.359 1.914 699 HB3 TYR 98 2HB TYR 98 115.000 33.590 2.420 700 HD1 TYR 98 HD1 TYR 98 118.531 34.239 3.362 701 HD2 TYR 98 HD2 TYR 98 114.663 32.921 4.690 702 HE1 TYR 98 HE1 TYR 98 119.298 34.359 5.717 703 HE2 TYR 98 HE2 TYR 98 115.434 33.039 7.045 704 HH TYR 98 HH TYR 98 117.894 34.701 8.091 705 H LYS 99 H LYS 99 117.501 30.085 2.590 706 HA LYS 99 HA LYS 99 114.946 29.007 3.585 707 HB2 LYS 99 1HB LYS 99 116.887 27.538 1.783 708 HB3 LYS 99 2HB LYS 99 115.517 26.795 2.611 709 HG2 LYS 99 1HG LYS 99 113.994 28.395 1.453 710 HG3 LYS 99 2HG LYS 99 115.379 29.023 0.559 711 HD2 LYS 99 1HD LYS 99 115.803 26.720 -0.314 712 HD3 LYS 99 2HD LYS 99 114.327 26.181 0.487 713 HE2 LYS 99 1HE LYS 99 113.191 28.136 -0.812 714 HE3 LYS 99 2HE LYS 99 114.624 28.072 -1.836 715 HZ1 LYS 99 3HZ LYS 99 112.687 26.653 -2.544 716 HZ2 LYS 99 1HZ LYS 99 113.011 25.672 -1.199 717 HZ3 LYS 99 2HZ LYS 99 114.180 25.855 -2.418 718 H HIS 100 H HIS 100 115.186 27.340 5.178 719 HA HIS 100 HA HIS 100 117.884 27.138 6.381 720 HB2 HIS 100 1HB HIS 100 115.249 27.647 7.751 721 HB3 HIS 100 2HB HIS 100 116.663 27.056 8.601 722 HD1 HIS 100 HD1 HIS 100 118.904 28.752 7.875 723 HD2 HIS 100 HD2 HIS 100 115.059 30.352 8.085 724 HE1 HIS 100 HE1 HIS 100 119.184 31.247 8.189 725 H ASP 101 H ASP 101 118.213 25.239 7.691 726 HA ASP 101 HA ASP 101 116.955 22.882 6.585 727 HB2 ASP 101 1HB ASP 101 119.375 22.962 7.142 728 HB3 ASP 101 2HB ASP 101 118.955 23.136 8.845 729 H THR 102 H THR 102 115.163 21.950 7.367 730 HA THR 102 HA THR 102 114.508 22.294 10.226 731 HB THR 102 HB THR 102 113.229 23.963 8.946 732 HG1 THR 102 HG1 THR 102 111.185 23.264 9.696 733 HG21 THR 102 3HG2 THR 102 113.201 22.489 6.834 734 HG22 THR 102 1HG2 THR 102 111.731 23.391 7.205 735 HG23 THR 102 2HG2 THR 102 111.827 21.669 7.575 736 H SER 103 H SER 103 113.156 20.670 11.108 737 HA SER 103 HA SER 103 112.942 18.210 9.470 738 HB2 SER 103 1HB SER 103 113.711 18.401 12.392 739 HB3 SER 103 2HB SER 103 113.483 16.912 11.479 740 HG SER 103 HG SER 103 115.369 17.204 10.572 741 H ASP 104 H ASP 104 111.108 17.021 9.690 742 HA ASP 104 HA ASP 104 109.156 17.795 11.759 743 HB2 ASP 104 1HB ASP 104 108.552 17.426 8.814 744 HB3 ASP 104 2HB ASP 104 107.341 17.624 10.078 745 H TYR 105 H TYR 105 107.812 16.094 12.443 746 HA TYR 105 HA TYR 105 108.650 13.405 11.520 747 HB2 TYR 105 1HB TYR 105 108.334 12.610 13.758 748 HB3 TYR 105 2HB TYR 105 109.401 13.998 13.800 749 HD1 TYR 105 HD1 TYR 105 108.569 16.187 14.656 750 HD2 TYR 105 HD2 TYR 105 106.194 12.613 14.838 751 HE1 TYR 105 HE1 TYR 105 107.084 17.261 16.328 752 HE2 TYR 105 HE2 TYR 105 104.709 13.687 16.511 753 HH TYR 105 HH TYR 105 105.065 15.660 18.285 754 H GLY 106 H GLY 106 107.102 11.826 11.246 755 HA2 GLY 106 1HA GLY 106 104.288 12.527 11.744 756 HA3 GLY 106 2HA GLY 106 104.765 12.059 10.112 757 H PHE 107 H PHE 107 102.867 10.557 11.424 758 HA PHE 107 HA PHE 107 104.305 8.165 12.390 759 HB2 PHE 107 1HB PHE 107 101.374 8.894 12.497 760 HB3 PHE 107 2HB PHE 107 102.059 7.397 13.099 761 HD1 PHE 107 HD1 PHE 107 103.571 7.424 15.084 762 HD2 PHE 107 HD2 PHE 107 101.533 10.950 13.716 763 HE1 PHE 107 HE1 PHE 107 104.010 8.522 17.262 764 HE2 PHE 107 HE2 PHE 107 101.973 12.049 15.895 765 HZ PHE 107 HZ PHE 107 103.212 10.835 17.668 766 H SER 108 H SER 108 104.521 6.442 11.085 767 HA SER 108 HA SER 108 102.908 6.388 8.591 768 HB2 SER 108 1HB SER 108 105.625 5.172 9.132 769 HB3 SER 108 2HB SER 108 104.751 5.129 7.607 770 HG SER 108 HG SER 108 106.323 6.842 7.777 771 H TYR 109 H TYR 109 101.944 4.509 7.936 772 HA TYR 109 HA TYR 109 102.071 2.185 9.767 773 HB2 TYR 109 1HB TYR 109 99.984 3.450 10.147 774 HB3 TYR 109 2HB TYR 109 99.604 3.326 8.441 775 HD1 TYR 109 HD1 TYR 109 98.973 1.142 7.452 776 HD2 TYR 109 HD2 TYR 109 99.660 1.609 11.665 777 HE1 TYR 109 HE1 TYR 109 97.823 -1.015 7.880 778 HE2 TYR 109 HE2 TYR 109 98.517 -0.547 12.093 779 HH TYR 109 HH TYR 109 97.154 -2.120 11.162 780 H GLY 110 H GLY 110 102.174 0.191 8.725 781 HA2 GLY 110 1HA GLY 110 101.751 0.146 5.813 782 HA3 GLY 110 2HA GLY 110 103.344 -0.287 6.420 783 H ALA 111 H ALA 111 101.553 -1.952 4.923 784 HA ALA 111 HA ALA 111 101.575 -4.231 6.765 785 HB1 ALA 111 1HB ALA 111 99.163 -3.934 5.016 786 HB2 ALA 111 2HB ALA 111 99.213 -3.061 6.549 787 HB3 ALA 111 3HB ALA 111 99.345 -4.820 6.529 788 H GLY 112 H GLY 112 101.812 -6.238 5.700 789 HA2 GLY 112 1HA GLY 112 102.040 -6.192 2.777 790 HA3 GLY 112 2HA GLY 112 103.501 -6.552 3.688 791 H LEU 113 H LEU 113 102.308 -8.253 1.806 792 HA LEU 113 HA LEU 113 101.278 -10.482 3.455 793 HB2 LEU 113 1HB LEU 113 100.996 -9.961 0.483 794 HB3 LEU 113 2HB LEU 113 100.445 -11.424 1.302 795 HG LEU 113 HG LEU 113 99.189 -9.716 2.871 796 HD11 LEU 113 1HD1 LEU 113 99.914 -8.115 0.433 797 HD12 LEU 113 2HD1 LEU 113 99.901 -7.618 2.124 798 HD13 LEU 113 3HD1 LEU 113 98.381 -7.811 1.249 799 HD21 LEU 113 3HD2 LEU 113 98.262 -11.418 1.166 800 HD22 LEU 113 1HD2 LEU 113 98.125 -10.049 0.062 801 HD23 LEU 113 2HD2 LEU 113 97.224 -10.052 1.580 802 H GLN 114 H GLN 114 102.262 -12.608 3.107 803 HA GLN 114 HA GLN 114 104.972 -12.388 1.898 804 HB2 GLN 114 1HB GLN 114 104.133 -13.845 4.408 805 HB3 GLN 114 2HB GLN 114 105.736 -13.925 3.679 806 HG2 GLN 114 1HG GLN 114 106.026 -11.518 3.971 807 HG3 GLN 114 2HG GLN 114 104.390 -11.373 4.611 808 HE21 GLN 114 1HE2 GLN 114 106.640 -10.548 6.156 809 HE22 GLN 114 2HE2 GLN 114 106.801 -11.599 7.479 810 H PHE 115 H PHE 115 105.621 -13.959 0.566 811 HA PHE 115 HA PHE 115 104.257 -16.575 0.652 812 HB2 PHE 115 1HB PHE 115 105.023 -15.007 -1.826 813 HB3 PHE 115 2HB PHE 115 104.550 -16.693 -1.831 814 HD1 PHE 115 HD1 PHE 115 103.338 -13.288 -0.865 815 HD2 PHE 115 HD2 PHE 115 102.290 -17.273 -2.081 816 HE1 PHE 115 HE1 PHE 115 100.968 -12.595 -1.095 817 HE2 PHE 115 HE2 PHE 115 99.920 -16.581 -2.308 818 HZ PHE 115 HZ PHE 115 99.259 -14.242 -1.816 819 H ASN 116 H ASN 116 105.884 -17.951 1.320 820 HA ASN 116 HA ASN 116 108.651 -17.252 0.503 821 HB2 ASN 116 1HB ASN 116 109.375 -17.695 2.813 822 HB3 ASN 116 2HB ASN 116 108.265 -16.330 2.704 823 HD21 ASN 116 1HD2 ASN 116 106.072 -16.625 3.543 824 HD22 ASN 116 2HD2 ASN 116 105.693 -17.932 4.558 825 HA PRO 117 HA PRO 117 109.260 -21.714 0.804 826 HB2 PRO 117 1HB PRO 117 111.186 -21.647 -1.305 827 HB3 PRO 117 2HB PRO 117 109.536 -22.288 -1.387 828 HG2 PRO 117 1HG PRO 117 110.471 -20.085 -2.766 829 HG3 PRO 117 2HG PRO 117 108.770 -20.480 -2.472 830 HD2 PRO 117 1HD PRO 117 110.525 -18.540 -0.995 831 HD3 PRO 117 2HD PRO 117 108.801 -18.403 -1.430 832 H MET 118 H MET 118 111.592 -22.767 1.027 833 HA MET 118 HA MET 118 112.971 -21.297 3.026 834 HB2 MET 118 1HB MET 118 113.787 -23.761 1.473 835 HB3 MET 118 2HB MET 118 114.631 -23.147 2.895 836 HG2 MET 118 1HG MET 118 112.472 -23.327 4.170 837 HG3 MET 118 2HG MET 118 111.765 -24.121 2.764 838 HE1 MET 118 3HE MET 118 112.682 -26.121 1.636 839 HE2 MET 118 1HE MET 118 113.788 -27.320 2.318 840 HE3 MET 118 2HE MET 118 114.412 -25.794 1.699 841 H GLU 119 H GLU 119 115.018 -20.368 3.008 842 HA GLU 119 HA GLU 119 116.952 -19.439 2.250 843 HB2 GLU 119 1HB GLU 119 116.677 -21.517 0.484 844 HB3 GLU 119 2HB GLU 119 116.654 -20.139 -0.608 845 HG2 GLU 119 1HG GLU 119 118.945 -20.825 -0.390 846 HG3 GLU 119 2HG GLU 119 118.779 -19.333 0.524 847 H ASN 120 H ASN 120 117.479 -18.101 -0.186 848 HA ASN 120 HA ASN 120 116.366 -15.611 0.480 849 HB2 ASN 120 1HB ASN 120 117.782 -16.463 -2.046 850 HB3 ASN 120 2HB ASN 120 117.517 -14.800 -1.527 851 HD21 ASN 120 1HD2 ASN 120 118.280 -14.547 0.985 852 HD22 ASN 120 2HD2 ASN 120 119.827 -15.174 1.287 853 H VAL 121 H VAL 121 114.891 -18.071 -1.307 854 HA VAL 121 HA VAL 121 113.784 -16.423 -3.385 855 HB VAL 121 HB VAL 121 114.484 -18.756 -3.726 856 HG11 VAL 121 1HG1 VAL 121 112.526 -20.421 -3.010 857 HG12 VAL 121 2HG1 VAL 121 112.367 -19.259 -1.693 858 HG13 VAL 121 3HG1 VAL 121 113.901 -20.074 -1.971 859 HG21 VAL 121 3HG2 VAL 121 112.870 -19.180 -5.341 860 HG22 VAL 121 1HG2 VAL 121 112.621 -17.460 -5.042 861 HG23 VAL 121 2HG2 VAL 121 111.543 -18.648 -4.306 862 H ALA 122 H ALA 122 112.989 -15.969 -0.396 863 HA ALA 122 HA ALA 122 110.065 -16.267 -0.733 864 HB1 ALA 122 1HB ALA 122 110.779 -17.207 1.334 865 HB2 ALA 122 2HB ALA 122 110.094 -15.635 1.747 866 HB3 ALA 122 3HB ALA 122 111.844 -15.843 1.674 867 H LEU 123 H LEU 123 108.707 -14.417 -0.634 868 HA LEU 123 HA LEU 123 110.125 -11.827 -0.770 869 HB2 LEU 123 1HB LEU 123 108.055 -12.747 -2.775 870 HB3 LEU 123 2HB LEU 123 108.911 -11.207 -2.767 871 HG LEU 123 HG LEU 123 111.053 -12.808 -2.771 872 HD11 LEU 123 1HD1 LEU 123 110.401 -14.697 -4.456 873 HD12 LEU 123 2HD1 LEU 123 108.778 -14.486 -3.796 874 HD13 LEU 123 3HD1 LEU 123 110.108 -14.950 -2.737 875 HD21 LEU 123 3HD2 LEU 123 110.638 -11.152 -4.497 876 HD22 LEU 123 1HD2 LEU 123 109.336 -12.130 -5.178 877 HD23 LEU 123 2HD2 LEU 123 111.008 -12.686 -5.286 878 H ASP 124 H ASP 124 108.884 -10.012 -0.290 879 HA ASP 124 HA ASP 124 106.093 -10.458 0.548 880 HB2 ASP 124 1HB ASP 124 106.432 -9.133 2.567 881 HB3 ASP 124 2HB ASP 124 107.501 -10.530 2.573 882 H PHE 125 H PHE 125 104.734 -8.674 0.300 883 HA PHE 125 HA PHE 125 105.921 -6.291 -1.014 884 HB2 PHE 125 1HB PHE 125 103.323 -7.674 -1.711 885 HB3 PHE 125 2HB PHE 125 103.869 -6.152 -2.388 886 HD1 PHE 125 HD1 PHE 125 104.339 -9.796 -2.342 887 HD2 PHE 125 HD2 PHE 125 105.693 -6.080 -4.019 888 HE1 PHE 125 HE1 PHE 125 105.558 -11.037 -4.111 889 HE2 PHE 125 HE2 PHE 125 106.911 -7.321 -5.787 890 HZ PHE 125 HZ PHE 125 106.845 -9.800 -5.832 891 H SER 126 H SER 126 105.196 -4.324 -0.223 892 HA SER 126 HA SER 126 102.964 -4.384 1.704 893 HB2 SER 126 1HB SER 126 105.078 -4.759 2.963 894 HB3 SER 126 2HB SER 126 105.677 -3.221 2.352 895 HG SER 126 HG SER 126 104.104 -3.674 4.439 896 H TYR 127 H TYR 127 102.011 -2.392 2.153 897 HA TYR 127 HA TYR 127 102.840 -0.125 0.437 898 HB2 TYR 127 1HB TYR 127 100.065 -0.839 1.408 899 HB3 TYR 127 2HB TYR 127 100.482 0.581 0.470 900 HD1 TYR 127 HD1 TYR 127 99.984 -3.061 0.411 901 HD2 TYR 127 HD2 TYR 127 100.998 0.404 -1.916 902 HE1 TYR 127 HE1 TYR 127 99.622 -4.354 -1.673 903 HE2 TYR 127 HE2 TYR 127 100.635 -0.889 -4.000 904 HH TYR 127 HH TYR 127 99.352 -4.181 -3.918 905 H GLU 128 H GLU 128 103.011 1.870 1.446 906 HA GLU 128 HA GLU 128 102.512 1.933 4.368 907 HB2 GLU 128 1HB GLU 128 104.937 1.598 3.804 908 HB3 GLU 128 2HB GLU 128 104.903 3.155 2.977 909 HG2 GLU 128 1HG GLU 128 104.141 4.227 5.088 910 HG3 GLU 128 2HG GLU 128 104.281 2.674 5.902 911 H GLN 129 H GLN 129 101.683 3.806 5.172 912 HA GLN 129 HA GLN 129 101.221 6.022 3.266 913 HB2 GLN 129 1HB GLN 129 99.326 4.716 5.209 914 HB3 GLN 129 2HB GLN 129 99.069 6.365 4.638 915 HG2 GLN 129 1HG GLN 129 99.432 3.972 2.816 916 HG3 GLN 129 2HG GLN 129 97.866 4.646 3.267 917 HE21 GLN 129 1HE2 GLN 129 99.936 4.686 0.730 918 HE22 GLN 129 2HE2 GLN 129 99.691 6.267 0.163 919 H SER 130 H SER 130 101.701 7.974 3.918 920 HA SER 130 HA SER 130 102.297 8.458 6.772 921 HB2 SER 130 1HB SER 130 104.230 8.678 5.091 922 HB3 SER 130 2HB SER 130 103.377 10.090 4.474 923 HG SER 130 HG SER 130 103.870 11.152 6.243 924 H ARG 131 H ARG 131 101.592 10.494 7.615 925 HA ARG 131 HA ARG 131 98.871 10.848 6.632 926 HB2 ARG 131 1HB ARG 131 98.386 11.689 8.868 927 HB3 ARG 131 2HB ARG 131 99.257 10.164 8.982 928 HG2 ARG 131 1HG ARG 131 101.384 11.491 9.274 929 HG3 ARG 131 2HG ARG 131 100.391 12.948 9.369 930 HD2 ARG 131 1HD ARG 131 99.137 11.911 11.267 931 HD3 ARG 131 2HD ARG 131 100.250 10.547 11.215 932 HE ARG 131 HE ARG 131 101.920 11.907 12.131 933 HH11 ARG 131 1HH1 ARG 131 99.094 13.854 11.388 934 HH12 ARG 131 2HH1 ARG 131 99.670 15.213 12.295 935 HH21 ARG 131 1HH2 ARG 131 102.607 13.687 13.282 936 HH22 ARG 131 2HH2 ARG 131 101.635 15.117 13.355 937 H ILE 132 H ILE 132 97.885 13.125 6.685 938 HA ILE 132 HA ILE 132 99.655 13.984 4.547 939 HB ILE 132 HB ILE 132 96.729 14.607 5.011 940 HG12 ILE 132 1HG1 ILE 132 97.989 12.570 3.151 941 HG13 ILE 132 2HG1 ILE 132 97.299 12.162 4.721 942 HG21 ILE 132 1HG2 ILE 132 96.735 15.176 2.607 943 HG22 ILE 132 2HG2 ILE 132 98.469 14.860 2.536 944 HG23 ILE 132 3HG2 ILE 132 97.858 16.204 3.498 945 HD11 ILE 132 3HD1 ILE 132 95.187 13.434 3.829 946 HD12 ILE 132 1HD1 ILE 132 95.490 11.782 3.289 947 HD13 ILE 132 2HD1 ILE 132 95.904 13.141 2.246 948 H ARG 133 H ARG 133 101.054 15.348 5.492 949 HA ARG 133 HA ARG 133 100.185 18.077 6.049 950 HB2 ARG 133 1HB ARG 133 102.429 16.700 6.752 951 HB3 ARG 133 2HB ARG 133 102.997 17.452 5.264 952 HG2 ARG 133 1HG ARG 133 103.542 19.007 6.969 953 HG3 ARG 133 2HG ARG 133 102.074 19.661 6.244 954 HD2 ARG 133 1HD ARG 133 100.729 18.562 8.016 955 HD3 ARG 133 2HD ARG 133 102.215 17.977 8.759 956 HE ARG 133 HE ARG 133 101.130 20.632 8.937 957 HH11 ARG 133 1HH1 ARG 133 104.150 18.841 8.971 958 HH12 ARG 133 2HH1 ARG 133 104.966 20.038 9.920 959 HH21 ARG 133 1HH2 ARG 133 102.232 22.137 10.159 960 HH22 ARG 133 2HH2 ARG 133 103.892 21.882 10.583 961 H SER 134 H SER 134 101.675 19.639 4.361 962 HA SER 134 HA SER 134 100.192 19.665 2.018 963 HB2 SER 134 1HB SER 134 101.786 21.277 1.178 964 HB3 SER 134 2HB SER 134 101.557 21.550 2.901 965 HG SER 134 HG SER 134 103.746 21.528 2.506 966 H VAL 135 H VAL 135 102.870 17.552 2.731 967 HA VAL 135 HA VAL 135 102.630 16.517 -0.034 968 HB VAL 135 HB VAL 135 104.919 17.256 0.494 969 HG11 VAL 135 1HG1 VAL 135 104.826 15.178 2.698 970 HG12 VAL 135 2HG1 VAL 135 104.733 16.920 2.964 971 HG13 VAL 135 3HG1 VAL 135 106.194 16.209 2.280 972 HG21 VAL 135 3HG2 VAL 135 105.006 14.254 0.605 973 HG22 VAL 135 1HG2 VAL 135 105.984 15.360 -0.359 974 HG23 VAL 135 2HG2 VAL 135 104.304 15.052 -0.803 975 H ASP 136 H ASP 136 101.841 14.490 -0.261 976 HA ASP 136 HA ASP 136 101.306 12.919 2.193 977 HB2 ASP 136 1HB ASP 136 99.290 13.725 0.977 978 HB3 ASP 136 2HB ASP 136 99.834 12.853 -0.452 979 H VAL 137 H VAL 137 101.875 10.688 2.211 980 HA VAL 137 HA VAL 137 103.760 10.001 0.006 981 HB VAL 137 HB VAL 137 103.784 8.884 2.808 982 HG11 VAL 137 1HG1 VAL 137 104.817 7.538 0.964 983 HG12 VAL 137 2HG1 VAL 137 105.974 8.059 2.188 984 HG13 VAL 137 3HG1 VAL 137 105.894 8.896 0.638 985 HG21 VAL 137 3HG2 VAL 137 104.255 11.353 2.767 986 HG22 VAL 137 1HG2 VAL 137 105.561 11.043 1.623 987 HG23 VAL 137 2HG2 VAL 137 105.650 10.393 3.260 988 H GLY 138 H GLY 138 103.253 8.382 -1.282 989 HA2 GLY 138 1HA GLY 138 101.762 6.084 -0.148 990 HA3 GLY 138 2HA GLY 138 101.535 6.627 -1.814 991 H THR 139 H THR 139 103.134 4.339 0.000 992 HA THR 139 HA THR 139 105.405 4.230 -1.909 993 HB THR 139 HB THR 139 105.542 3.460 1.006 994 HG1 THR 139 HG1 THR 139 106.559 5.416 1.298 995 HG21 THR 139 3HG2 THR 139 107.807 3.076 0.633 996 HG22 THR 139 1HG2 THR 139 107.854 4.123 -0.785 997 HG23 THR 139 2HG2 THR 139 107.113 2.528 -0.894 998 H TRP 140 H TRP 140 105.737 2.362 -2.886 999 HA TRP 140 HA TRP 140 104.466 -0.084 -1.778 1000 HB2 TRP 140 1HB TRP 140 103.397 0.590 -3.878 1001 HB3 TRP 140 2HB TRP 140 104.959 0.660 -4.668 1002 HD1 TRP 140 HD1 TRP 140 102.866 -1.984 -2.760 1003 HE1 TRP 140 HE1 TRP 140 103.147 -4.242 -3.968 1004 HE3 TRP 140 HE3 TRP 140 106.133 -0.614 -6.437 1005 HZ2 TRP 140 HZ2 TRP 140 104.572 -5.327 -6.203 1006 HZ3 TRP 140 HZ3 TRP 140 106.935 -2.275 -8.087 1007 HH2 TRP 140 HH2 TRP 140 106.163 -4.627 -7.978 1008 H ILE 141 H ILE 141 105.871 -1.734 -1.332 1009 HA ILE 141 HA ILE 141 108.643 -1.463 -2.346 1010 HB ILE 141 HB ILE 141 108.478 -0.535 -0.067 1011 HG12 ILE 141 1HG1 ILE 141 109.892 -3.197 0.070 1012 HG13 ILE 141 2HG1 ILE 141 110.483 -1.888 -0.952 1013 HG21 ILE 141 1HG2 ILE 141 107.674 -3.333 0.767 1014 HG22 ILE 141 2HG2 ILE 141 106.560 -1.971 0.662 1015 HG23 ILE 141 3HG2 ILE 141 107.888 -1.933 1.819 1016 HD11 ILE 141 3HD1 ILE 141 111.647 -1.396 0.968 1017 HD12 ILE 141 1HD1 ILE 141 110.420 -2.090 2.024 1018 HD13 ILE 141 2HD1 ILE 141 110.175 -0.493 1.317 1019 H ALA 142 H ALA 142 109.740 -3.323 -2.755 1020 HA ALA 142 HA ALA 142 108.406 -5.890 -2.117 1021 HB1 ALA 142 1HB ALA 142 108.169 -5.202 -4.562 1022 HB2 ALA 142 2HB ALA 142 108.932 -6.768 -4.276 1023 HB3 ALA 142 3HB ALA 142 109.922 -5.365 -4.681 1024 H GLY 143 H GLY 143 109.742 -7.359 -1.190 1025 HA2 GLY 143 1HA GLY 143 112.656 -6.909 -1.333 1026 HA3 GLY 143 2HA GLY 143 111.872 -6.995 0.240 1027 H VAL 144 H VAL 144 113.936 -8.725 -0.799 1028 HA VAL 144 HA VAL 144 112.499 -11.313 -0.730 1029 HB VAL 144 HB VAL 144 114.284 -12.242 -2.164 1030 HG11 VAL 144 1HG1 VAL 144 112.109 -11.011 -3.003 1031 HG12 VAL 144 2HG1 VAL 144 113.346 -11.492 -4.164 1032 HG13 VAL 144 3HG1 VAL 144 113.256 -9.819 -3.615 1033 HG21 VAL 144 3HG2 VAL 144 115.899 -10.773 -3.245 1034 HG22 VAL 144 1HG2 VAL 144 116.025 -10.552 -1.500 1035 HG23 VAL 144 2HG2 VAL 144 115.177 -9.357 -2.480 1036 H GLY 145 H GLY 145 113.451 -12.916 0.562 1037 HA2 GLY 145 1HA GLY 145 115.923 -12.329 1.975 1038 HA3 GLY 145 2HA GLY 145 114.471 -12.291 2.964 1039 H TYR 146 H TYR 146 116.185 -13.986 3.818 1040 HA TYR 146 HA TYR 146 115.117 -16.623 3.058 1041 HB2 TYR 146 1HB TYR 146 117.268 -17.641 3.286 1042 HB3 TYR 146 2HB TYR 146 117.417 -16.318 2.150 1043 HD1 TYR 146 HD1 TYR 146 118.593 -14.223 2.825 1044 HD2 TYR 146 HD2 TYR 146 118.439 -17.676 5.374 1045 HE1 TYR 146 HE1 TYR 146 120.464 -13.312 4.172 1046 HE2 TYR 146 HE2 TYR 146 120.309 -16.764 6.722 1047 HH TYR 146 HH TYR 146 121.788 -13.617 5.923 1048 H ARG 147 H ARG 147 115.779 -18.252 4.882 1049 HA ARG 147 HA ARG 147 115.112 -16.957 7.467 1050 HB2 ARG 147 1HB ARG 147 114.317 -19.717 6.506 1051 HB3 ARG 147 2HB ARG 147 113.841 -18.959 8.024 1052 HG2 ARG 147 1HG ARG 147 113.171 -17.848 5.284 1053 HG3 ARG 147 2HG ARG 147 112.073 -18.832 6.251 1054 HD2 ARG 147 1HD ARG 147 112.263 -17.148 8.090 1055 HD3 ARG 147 2HD ARG 147 113.234 -16.141 7.020 1056 HE ARG 147 HE ARG 147 111.308 -15.596 5.833 1057 HH11 ARG 147 1HH1 ARG 147 110.573 -18.212 8.056 1058 HH12 ARG 147 2HH1 ARG 147 108.865 -18.084 7.798 1059 HH21 ARG 147 1HH2 ARG 147 109.099 -15.477 5.544 1060 HH22 ARG 147 2HH2 ARG 147 108.042 -16.554 6.394 1061 H PHE 148 H PHE 148 116.046 -17.832 9.352 1062 HA PHE 148 HA PHE 148 118.683 -18.933 8.945 1063 HB2 PHE 148 1HB PHE 148 118.180 -17.228 10.676 1064 HB3 PHE 148 2HB PHE 148 117.180 -18.400 11.510 1065 HD1 PHE 148 HD1 PHE 148 120.639 -17.521 10.536 1066 HD2 PHE 148 HD2 PHE 148 118.152 -20.143 12.859 1067 HE1 PHE 148 HE1 PHE 148 122.640 -18.341 11.751 1068 HE2 PHE 148 HE2 PHE 148 120.153 -20.963 14.073 1069 HZ PHE 148 HZ PHE 148 122.396 -20.062 13.520 Start of MODEL 7 1 H1 ALA 1 3H ALA 1 116.268 -18.199 19.259 2 H2 ALA 1 2H ALA 1 115.160 -17.954 17.993 3 H3 ALA 1 HT3 ALA 1 116.742 -17.346 17.872 4 HA ALA 1 HA ALA 1 117.540 -19.712 18.023 5 HB1 ALA 1 2HB ALA 1 114.577 -20.129 17.530 6 HB2 ALA 1 3HB ALA 1 115.514 -20.715 18.903 7 HB3 ALA 1 1HB ALA 1 115.801 -21.376 17.294 8 H THR 2 H THR 2 114.834 -18.722 15.902 9 HA THR 2 HA THR 2 116.729 -18.701 13.622 10 HB THR 2 HB THR 2 114.909 -19.471 12.190 11 HG1 THR 2 HG1 THR 2 113.478 -19.322 14.615 12 HG21 THR 2 3HG2 THR 2 116.289 -21.200 13.184 13 HG22 THR 2 1HG2 THR 2 114.616 -21.757 13.174 14 HG23 THR 2 2HG2 THR 2 115.339 -21.160 14.668 15 H SER 3 H SER 3 116.059 -17.291 11.838 16 HA SER 3 HA SER 3 114.171 -15.180 12.330 17 HB2 SER 3 1HB SER 3 115.730 -13.348 12.531 18 HB3 SER 3 2HB SER 3 116.122 -14.526 13.779 19 HG SER 3 HG SER 3 117.386 -14.138 11.264 20 H THR 4 H THR 4 114.161 -13.602 10.520 21 HA THR 4 HA THR 4 115.412 -14.711 8.066 22 HB THR 4 HB THR 4 113.457 -14.054 6.804 23 HG1 THR 4 HG1 THR 4 112.259 -12.551 7.586 24 HG21 THR 4 3HG2 THR 4 113.418 -16.270 7.937 25 HG22 THR 4 1HG2 THR 4 111.804 -15.594 7.723 26 HG23 THR 4 2HG2 THR 4 112.585 -15.532 9.303 27 H VAL 5 H VAL 5 115.931 -13.193 6.435 28 HA VAL 5 HA VAL 5 115.998 -10.359 7.284 29 HB VAL 5 HB VAL 5 118.219 -11.361 7.668 30 HG11 VAL 5 1HG1 VAL 5 117.960 -13.112 5.856 31 HG12 VAL 5 2HG1 VAL 5 119.520 -12.291 5.875 32 HG13 VAL 5 3HG1 VAL 5 118.303 -11.844 4.680 33 HG21 VAL 5 3HG2 VAL 5 118.113 -9.013 7.014 34 HG22 VAL 5 1HG2 VAL 5 118.053 -9.461 5.308 35 HG23 VAL 5 2HG2 VAL 5 119.512 -9.767 6.248 36 H THR 6 H THR 6 115.309 -8.965 5.777 37 HA THR 6 HA THR 6 115.080 -9.913 2.978 38 HB THR 6 HB THR 6 113.029 -8.241 4.447 39 HG1 THR 6 HG1 THR 6 113.015 -10.974 3.688 40 HG21 THR 6 3HG2 THR 6 111.681 -8.599 2.454 41 HG22 THR 6 1HG2 THR 6 112.934 -9.625 1.754 42 HG23 THR 6 2HG2 THR 6 113.230 -7.901 1.978 43 H GLY 7 H GLY 7 115.563 -8.445 1.407 44 HA2 GLY 7 1HA GLY 7 115.980 -5.625 2.209 45 HA3 GLY 7 2HA GLY 7 117.180 -6.464 1.220 46 H GLY 8 H GLY 8 115.246 -4.134 0.675 47 HA2 GLY 8 1HA GLY 8 114.429 -5.035 -1.962 48 HA3 GLY 8 2HA GLY 8 113.096 -4.728 -0.856 49 H TYR 9 H TYR 9 112.666 -3.206 -2.705 50 HA TYR 9 HA TYR 9 114.017 -0.610 -2.246 51 HB2 TYR 9 1HB TYR 9 113.881 -0.110 -4.579 52 HB3 TYR 9 2HB TYR 9 114.687 -1.654 -4.397 53 HD1 TYR 9 HD1 TYR 9 111.664 0.076 -5.570 54 HD2 TYR 9 HD2 TYR 9 113.612 -3.727 -5.140 55 HE1 TYR 9 HE1 TYR 9 110.032 -0.935 -7.139 56 HE2 TYR 9 HE2 TYR 9 111.982 -4.740 -6.708 57 HH TYR 9 HH TYR 9 109.466 -4.103 -7.409 58 H ALA 10 H ALA 10 112.704 1.253 -2.656 59 HA ALA 10 HA ALA 10 109.797 0.772 -2.495 60 HB1 ALA 10 1HB ALA 10 110.908 1.096 -0.216 61 HB2 ALA 10 2HB ALA 10 109.585 2.197 -0.598 62 HB3 ALA 10 3HB ALA 10 111.256 2.746 -0.734 63 H GLN 11 H GLN 11 108.533 2.365 -3.416 64 HA GLN 11 HA GLN 11 109.918 4.785 -4.435 65 HB2 GLN 11 1HB GLN 11 109.415 3.178 -6.277 66 HB3 GLN 11 2HB GLN 11 107.707 3.274 -5.847 67 HG2 GLN 11 1HG GLN 11 107.710 5.687 -6.275 68 HG3 GLN 11 2HG GLN 11 109.429 5.633 -6.652 69 HE21 GLN 11 1HE2 GLN 11 107.840 6.639 -8.643 70 HE22 GLN 11 2HE2 GLN 11 107.646 5.511 -9.898 71 H SER 12 H SER 12 108.951 6.669 -3.891 72 HA SER 12 HA SER 12 106.289 6.500 -2.585 73 HB2 SER 12 1HB SER 12 108.117 7.117 -1.048 74 HB3 SER 12 2HB SER 12 108.548 8.460 -2.100 75 HG SER 12 HG SER 12 106.057 8.043 -0.789 76 H ASP 13 H ASP 13 104.689 7.720 -3.358 77 HA ASP 13 HA ASP 13 105.192 9.232 -5.805 78 HB2 ASP 13 1HB ASP 13 103.375 7.537 -5.716 79 HB3 ASP 13 2HB ASP 13 102.569 8.508 -4.486 80 H ALA 14 H ALA 14 105.258 11.371 -5.879 81 HA ALA 14 HA ALA 14 104.438 12.901 -3.496 82 HB1 ALA 14 1HB ALA 14 106.815 13.041 -4.438 83 HB2 ALA 14 2HB ALA 14 105.982 14.568 -4.155 84 HB3 ALA 14 3HB ALA 14 106.107 13.921 -5.791 85 H GLN 15 H GLN 15 102.995 14.561 -3.622 86 HA GLN 15 HA GLN 15 101.382 14.764 -6.053 87 HB2 GLN 15 1HB GLN 15 100.315 14.629 -3.787 88 HB3 GLN 15 2HB GLN 15 101.048 16.185 -3.396 89 HG2 GLN 15 1HG GLN 15 99.856 17.245 -5.255 90 HG3 GLN 15 2HG GLN 15 99.169 15.694 -5.724 91 HE21 GLN 15 1HE2 GLN 15 97.340 17.662 -5.194 92 HE22 GLN 15 2HE2 GLN 15 96.589 17.409 -3.693 93 H GLY 16 H GLY 16 100.959 16.904 -7.024 94 HA2 GLY 16 1HA GLY 16 103.321 18.036 -7.893 95 HA3 GLY 16 2HA GLY 16 101.756 18.827 -8.022 96 H GLN 17 H GLN 17 104.786 18.987 -6.777 97 HA GLN 17 HA GLN 17 104.862 21.391 -5.504 98 HB2 GLN 17 1HB GLN 17 103.212 20.478 -3.832 99 HB3 GLN 17 2HB GLN 17 104.373 19.214 -3.437 100 HG2 GLN 17 1HG GLN 17 105.994 20.908 -2.728 101 HG3 GLN 17 2HG GLN 17 104.879 22.190 -3.184 102 HE21 GLN 17 1HE2 GLN 17 105.697 22.238 -0.569 103 HE22 GLN 17 2HE2 GLN 17 104.463 21.694 0.464 104 H MET 18 H MET 18 105.709 18.046 -4.699 105 HA MET 18 HA MET 18 108.562 18.672 -5.147 106 HB2 MET 18 1HB MET 18 107.368 16.897 -3.003 107 HB3 MET 18 2HB MET 18 109.091 17.022 -3.360 108 HG2 MET 18 1HG MET 18 108.978 19.466 -2.896 109 HG3 MET 18 2HG MET 18 107.284 19.276 -2.443 110 HE1 MET 18 3HE MET 18 109.536 20.476 -0.211 111 HE2 MET 18 1HE MET 18 108.438 19.816 1.009 112 HE3 MET 18 2HE MET 18 107.797 20.473 -0.495 113 H ASN 19 H ASN 19 109.802 16.503 -5.443 114 HA ASN 19 HA ASN 19 108.302 14.974 -7.464 115 HB2 ASN 19 1HB ASN 19 111.282 15.150 -6.972 116 HB3 ASN 19 2HB ASN 19 110.499 14.309 -8.308 117 HD21 ASN 19 1HD2 ASN 19 108.525 16.171 -9.063 118 HD22 ASN 19 2HD2 ASN 19 109.275 17.595 -9.600 119 H LYS 20 H LYS 20 108.862 12.644 -7.669 120 HA LYS 20 HA LYS 20 108.243 11.239 -5.310 121 HB2 LYS 20 1HB LYS 20 109.456 10.254 -7.903 122 HB3 LYS 20 2HB LYS 20 108.808 9.210 -6.636 123 HG2 LYS 20 1HG LYS 20 106.611 10.369 -6.857 124 HG3 LYS 20 2HG LYS 20 107.268 11.302 -8.202 125 HD2 LYS 20 1HD LYS 20 107.771 9.158 -9.385 126 HD3 LYS 20 2HD LYS 20 106.972 8.287 -8.076 127 HE2 LYS 20 1HE LYS 20 105.285 8.541 -9.720 128 HE3 LYS 20 2HE LYS 20 104.943 9.809 -8.541 129 HZ1 LYS 20 3HZ LYS 20 106.427 11.246 -10.021 130 HZ2 LYS 20 1HZ LYS 20 104.858 10.900 -10.569 131 HZ3 LYS 20 2HZ LYS 20 106.187 10.052 -11.206 132 H MET 21 H MET 21 109.627 9.399 -4.449 133 HA MET 21 HA MET 21 112.476 10.203 -4.269 134 HB2 MET 21 1HB MET 21 110.632 9.579 -1.952 135 HB3 MET 21 2HB MET 21 112.380 9.786 -1.821 136 HG2 MET 21 1HG MET 21 112.122 12.076 -2.820 137 HG3 MET 21 2HG MET 21 110.373 11.865 -2.734 138 HE1 MET 21 3HE MET 21 109.619 11.486 0.992 139 HE2 MET 21 1HE MET 21 110.153 10.110 0.021 140 HE3 MET 21 2HE MET 21 109.080 11.319 -0.676 141 H GLY 22 H GLY 22 113.918 8.470 -3.497 142 HA2 GLY 22 1HA GLY 22 112.796 5.789 -4.123 143 HA3 GLY 22 2HA GLY 22 114.490 6.247 -4.298 144 H GLY 23 H GLY 23 113.325 4.025 -2.697 145 HA2 GLY 23 1HA GLY 23 114.572 4.771 -0.129 146 HA3 GLY 23 2HA GLY 23 112.952 4.087 -0.124 147 H PHE 24 H PHE 24 115.671 3.159 0.881 148 HA PHE 24 HA PHE 24 115.541 0.439 -0.292 149 HB2 PHE 24 1HB PHE 24 117.822 1.790 1.165 150 HB3 PHE 24 2HB PHE 24 117.824 0.132 0.593 151 HD1 PHE 24 HD1 PHE 24 117.868 -0.351 -1.848 152 HD2 PHE 24 HD2 PHE 24 118.189 3.647 -0.309 153 HE1 PHE 24 HE1 PHE 24 118.727 0.425 -4.042 154 HE2 PHE 24 HE2 PHE 24 119.048 4.422 -2.503 155 HZ PHE 24 HZ PHE 24 119.318 2.811 -4.369 156 H ASN 25 H ASN 25 115.202 -1.285 1.138 157 HA ASN 25 HA ASN 25 114.648 -0.511 3.950 158 HB2 ASN 25 1HB ASN 25 112.589 -0.714 2.486 159 HB3 ASN 25 2HB ASN 25 112.968 -2.429 2.338 160 HD21 ASN 25 1HD2 ASN 25 110.553 -1.661 3.570 161 HD22 ASN 25 2HD2 ASN 25 110.639 -1.995 5.232 162 H LEU 26 H LEU 26 115.474 -1.789 5.448 163 HA LEU 26 HA LEU 26 116.260 -4.554 4.718 164 HB2 LEU 26 1HB LEU 26 117.561 -2.757 6.787 165 HB3 LEU 26 2HB LEU 26 118.054 -4.397 6.369 166 HG LEU 26 HG LEU 26 118.029 -2.058 4.437 167 HD11 LEU 26 1HD1 LEU 26 120.435 -3.460 5.615 168 HD12 LEU 26 2HD1 LEU 26 119.744 -2.010 6.342 169 HD13 LEU 26 3HD1 LEU 26 120.396 -1.950 4.703 170 HD21 LEU 26 3HD2 LEU 26 118.780 -4.971 4.237 171 HD22 LEU 26 1HD2 LEU 26 119.551 -3.780 3.193 172 HD23 LEU 26 2HD2 LEU 26 117.803 -4.005 3.132 173 H LYS 27 H LYS 27 115.559 -6.174 6.134 174 HA LYS 27 HA LYS 27 113.929 -5.292 8.436 175 HB2 LYS 27 1HB LYS 27 113.015 -7.195 6.268 176 HB3 LYS 27 2HB LYS 27 112.123 -6.807 7.739 177 HG2 LYS 27 1HG LYS 27 111.968 -4.467 7.081 178 HG3 LYS 27 2HG LYS 27 112.972 -4.767 5.662 179 HD2 LYS 27 1HD LYS 27 110.672 -4.749 4.933 180 HD3 LYS 27 2HD LYS 27 111.236 -6.421 4.881 181 HE2 LYS 27 1HE LYS 27 110.158 -6.909 7.000 182 HE3 LYS 27 2HE LYS 27 109.716 -5.215 7.210 183 HZ1 LYS 27 3HZ LYS 27 108.118 -5.332 5.599 184 HZ2 LYS 27 1HZ LYS 27 108.019 -6.902 6.231 185 HZ3 LYS 27 2HZ LYS 27 108.860 -6.625 4.782 186 H TYR 28 H TYR 28 113.790 -6.712 10.121 187 HA TYR 28 HA TYR 28 115.016 -9.381 9.796 188 HB2 TYR 28 1HB TYR 28 116.120 -9.197 11.919 189 HB3 TYR 28 2HB TYR 28 116.602 -7.840 10.922 190 HD1 TYR 28 HD1 TYR 28 115.708 -5.560 11.400 191 HD2 TYR 28 HD2 TYR 28 114.920 -8.909 13.972 192 HE1 TYR 28 HE1 TYR 28 115.023 -4.009 13.211 193 HE2 TYR 28 HE2 TYR 28 114.235 -7.359 15.782 194 HH TYR 28 HH TYR 28 114.380 -5.150 16.461 195 H ARG 29 H ARG 29 114.017 -11.030 10.952 196 HA ARG 29 HA ARG 29 111.658 -10.317 12.555 197 HB2 ARG 29 1HB ARG 29 110.916 -10.684 10.208 198 HB3 ARG 29 2HB ARG 29 111.584 -12.313 10.288 199 HG2 ARG 29 1HG ARG 29 110.081 -12.883 12.127 200 HG3 ARG 29 2HG ARG 29 109.447 -11.235 12.150 201 HD2 ARG 29 1HD ARG 29 107.887 -12.587 10.905 202 HD3 ARG 29 2HD ARG 29 108.738 -11.560 9.755 203 HE ARG 29 HE ARG 29 110.249 -13.762 9.677 204 HH11 ARG 29 1HH1 ARG 29 106.754 -13.470 9.584 205 HH12 ARG 29 2HH1 ARG 29 106.557 -14.910 8.642 206 HH21 ARG 29 1HH2 ARG 29 109.935 -15.609 8.465 207 HH22 ARG 29 2HH2 ARG 29 108.339 -16.105 8.017 208 H TYR 30 H TYR 30 111.141 -11.768 14.165 209 HA TYR 30 HA TYR 30 113.009 -14.038 14.513 210 HB2 TYR 30 1HB TYR 30 112.834 -12.247 16.305 211 HB3 TYR 30 2HB TYR 30 111.196 -12.807 16.589 212 HD1 TYR 30 HD1 TYR 30 114.770 -13.580 16.919 213 HD2 TYR 30 HD2 TYR 30 110.776 -14.990 17.624 214 HE1 TYR 30 HE1 TYR 30 115.657 -15.339 18.427 215 HE2 TYR 30 HE2 TYR 30 111.662 -16.747 19.134 216 HH TYR 30 HH TYR 30 113.744 -17.952 19.528 217 H GLU 31 H GLU 31 112.179 -16.121 14.855 218 HA GLU 31 HA GLU 31 109.456 -16.443 13.833 219 HB2 GLU 31 1HB GLU 31 111.367 -17.753 12.878 220 HB3 GLU 31 2HB GLU 31 111.506 -18.583 14.430 221 HG2 GLU 31 1HG GLU 31 109.132 -19.300 14.230 222 HG3 GLU 31 2HG GLU 31 109.058 -18.541 12.648 223 H GLU 32 H GLU 32 107.792 -16.907 15.028 224 HA GLU 32 HA GLU 32 108.172 -17.933 17.774 225 HB2 GLU 32 1HB GLU 32 106.311 -15.757 16.808 226 HB3 GLU 32 2HB GLU 32 106.172 -16.533 18.385 227 HG2 GLU 32 1HG GLU 32 108.640 -15.097 17.365 228 HG3 GLU 32 2HG GLU 32 107.471 -14.413 18.487 229 H ASP 33 H ASP 33 106.475 -19.191 18.616 230 HA ASP 33 HA ASP 33 105.203 -20.869 16.670 231 HB2 ASP 33 1HB ASP 33 104.400 -22.158 18.552 232 HB3 ASP 33 2HB ASP 33 106.093 -21.751 18.809 233 H ASN 34 H ASN 34 102.772 -21.492 17.480 234 HA ASN 34 HA ASN 34 101.206 -19.600 16.215 235 HB2 ASN 34 1HB ASN 34 99.287 -20.874 16.996 236 HB3 ASN 34 2HB ASN 34 100.584 -21.957 16.496 237 HD21 ASN 34 1HD2 ASN 34 98.464 -22.659 18.394 238 HD22 ASN 34 2HD2 ASN 34 99.220 -22.982 19.879 239 H SER 35 H SER 35 101.945 -19.742 19.705 240 HA SER 35 HA SER 35 99.626 -18.044 20.248 241 HB2 SER 35 1HB SER 35 101.559 -19.502 22.036 242 HB3 SER 35 2HB SER 35 100.331 -18.402 22.652 243 HG SER 35 HG SER 35 99.968 -20.876 22.180 244 HA PRO 36 HA PRO 36 102.720 -14.746 20.887 245 HB2 PRO 36 1HB PRO 36 105.404 -15.102 20.658 246 HB3 PRO 36 2HB PRO 36 104.521 -15.413 22.163 247 HG2 PRO 36 1HG PRO 36 105.723 -17.302 20.285 248 HG3 PRO 36 2HG PRO 36 105.279 -17.520 21.984 249 HD2 PRO 36 1HD PRO 36 103.813 -18.374 19.663 250 HD3 PRO 36 2HD PRO 36 103.388 -18.602 21.366 251 H LEU 37 H LEU 37 103.004 -13.221 19.335 252 HA LEU 37 HA LEU 37 103.051 -14.052 16.574 253 HB2 LEU 37 1HB LEU 37 103.080 -11.266 17.758 254 HB3 LEU 37 2HB LEU 37 102.733 -11.680 16.080 255 HG LEU 37 HG LEU 37 101.118 -12.630 18.464 256 HD11 LEU 37 1HD1 LEU 37 100.373 -10.594 16.348 257 HD12 LEU 37 2HD1 LEU 37 100.978 -10.158 17.948 258 HD13 LEU 37 3HD1 LEU 37 99.449 -11.025 17.788 259 HD21 LEU 37 3HD2 LEU 37 99.488 -13.227 16.602 260 HD22 LEU 37 1HD2 LEU 37 100.944 -14.218 16.666 261 HD23 LEU 37 2HD2 LEU 37 100.805 -12.934 15.466 262 H GLY 38 H GLY 38 104.483 -12.922 14.979 263 HA2 GLY 38 1HA GLY 38 107.261 -13.201 15.878 264 HA3 GLY 38 2HA GLY 38 106.710 -13.104 14.206 265 H VAL 39 H VAL 39 108.779 -11.491 15.799 266 HA VAL 39 HA VAL 39 107.502 -8.820 15.706 267 HB VAL 39 HB VAL 39 110.125 -9.641 16.985 268 HG11 VAL 39 1HG1 VAL 39 109.676 -7.393 18.180 269 HG12 VAL 39 2HG1 VAL 39 108.534 -7.077 16.873 270 HG13 VAL 39 3HG1 VAL 39 110.242 -7.322 16.510 271 HG21 VAL 39 3HG2 VAL 39 108.922 -9.468 19.111 272 HG22 VAL 39 1HG2 VAL 39 108.125 -10.655 18.080 273 HG23 VAL 39 2HG2 VAL 39 107.437 -9.043 18.262 274 H ILE 40 H ILE 40 107.968 -7.513 14.054 275 HA ILE 40 HA ILE 40 110.421 -8.057 12.469 276 HB ILE 40 HB ILE 40 107.789 -6.911 11.489 277 HG12 ILE 40 1HG1 ILE 40 109.024 -9.611 10.889 278 HG13 ILE 40 2HG1 ILE 40 107.760 -9.372 12.096 279 HG21 ILE 40 1HG2 ILE 40 108.802 -7.124 9.273 280 HG22 ILE 40 2HG2 ILE 40 110.266 -7.808 9.979 281 HG23 ILE 40 3HG2 ILE 40 109.835 -6.126 10.293 282 HD11 ILE 40 3HD1 ILE 40 106.877 -10.082 9.857 283 HD12 ILE 40 1HD1 ILE 40 107.495 -8.579 9.181 284 HD13 ILE 40 2HD1 ILE 40 106.228 -8.539 10.408 285 H GLY 41 H GLY 41 111.757 -6.385 12.105 286 HA2 GLY 41 1HA GLY 41 110.826 -3.648 12.751 287 HA3 GLY 41 2HA GLY 41 112.404 -4.230 13.291 288 H SER 42 H SER 42 111.388 -2.119 11.227 289 HA SER 42 HA SER 42 113.123 -3.029 8.996 290 HB2 SER 42 1HB SER 42 110.579 -1.444 8.633 291 HB3 SER 42 2HB SER 42 111.590 -2.165 7.386 292 HG SER 42 HG SER 42 109.983 -3.449 9.340 293 H PHE 43 H PHE 43 114.445 -1.540 8.121 294 HA PHE 43 HA PHE 43 114.334 1.220 9.195 295 HB2 PHE 43 1HB PHE 43 116.722 -0.350 8.204 296 HB3 PHE 43 2HB PHE 43 116.756 1.308 8.769 297 HD1 PHE 43 HD1 PHE 43 116.567 1.829 11.154 298 HD2 PHE 43 HD2 PHE 43 116.486 -2.225 9.739 299 HE1 PHE 43 HE1 PHE 43 116.947 1.015 13.466 300 HE2 PHE 43 HE2 PHE 43 116.866 -3.040 12.049 301 HZ PHE 43 HZ PHE 43 117.095 -1.420 13.914 302 H THR 44 H THR 44 113.957 2.766 7.708 303 HA THR 44 HA THR 44 114.372 2.092 4.845 304 HB THR 44 HB THR 44 112.273 3.937 6.007 305 HG1 THR 44 HG1 THR 44 112.174 1.258 5.100 306 HG21 THR 44 3HG2 THR 44 111.335 3.718 3.689 307 HG22 THR 44 1HG2 THR 44 112.803 2.859 3.227 308 HG23 THR 44 2HG2 THR 44 112.894 4.543 3.744 309 H TYR 45 H TYR 45 115.648 3.381 3.726 310 HA TYR 45 HA TYR 45 116.301 6.070 4.798 311 HB2 TYR 45 1HB TYR 45 118.111 4.208 3.243 312 HB3 TYR 45 2HB TYR 45 118.532 5.803 3.835 313 HD1 TYR 45 HD1 TYR 45 117.901 2.293 4.750 314 HD2 TYR 45 HD2 TYR 45 119.034 6.177 6.190 315 HE1 TYR 45 HE1 TYR 45 118.683 1.278 6.874 316 HE2 TYR 45 HE2 TYR 45 119.813 5.163 8.314 317 HH TYR 45 HH TYR 45 120.351 1.888 8.697 318 H THR 46 H THR 46 116.130 7.764 3.317 319 HA THR 46 HA THR 46 115.008 7.012 0.710 320 HB THR 46 HB THR 46 115.166 9.745 1.968 321 HG1 THR 46 HG1 THR 46 113.224 7.696 2.107 322 HG21 THR 46 3HG2 THR 46 114.770 9.701 -0.465 323 HG22 THR 46 1HG2 THR 46 113.327 10.232 0.400 324 HG23 THR 46 2HG2 THR 46 113.425 8.585 -0.223 325 H GLU 47 H GLU 47 115.758 7.870 -1.232 326 HA GLU 47 HA GLU 47 118.595 8.710 -1.179 327 HB2 GLU 47 1HB GLU 47 118.176 6.384 -2.025 328 HB3 GLU 47 2HB GLU 47 117.208 7.086 -3.323 329 HG2 GLU 47 1HG GLU 47 119.176 8.444 -4.015 330 HG3 GLU 47 2HG GLU 47 120.134 7.652 -2.773 331 H LYS 48 H LYS 48 119.262 10.239 -2.629 332 HA LYS 48 HA LYS 48 117.115 11.949 -3.709 333 HB2 LYS 48 1HB LYS 48 119.987 12.576 -2.978 334 HB3 LYS 48 2HB LYS 48 118.848 13.732 -3.662 335 HG2 LYS 48 1HG LYS 48 117.338 13.343 -1.711 336 HG3 LYS 48 2HG LYS 48 118.573 12.293 -1.009 337 HD2 LYS 48 1HD LYS 48 120.190 14.196 -1.114 338 HD3 LYS 48 2HD LYS 48 118.879 15.234 -1.671 339 HE2 LYS 48 1HE LYS 48 117.611 14.535 0.432 340 HE3 LYS 48 2HE LYS 48 119.132 13.847 1.001 341 HZ1 LYS 48 3HZ LYS 48 118.653 16.202 1.695 342 HZ2 LYS 48 1HZ LYS 48 118.899 16.650 0.076 343 HZ3 LYS 48 2HZ LYS 48 120.164 15.940 0.960 344 H SER 49 H SER 49 118.285 13.442 -5.527 345 HA SER 49 HA SER 49 118.262 11.857 -7.819 346 HB2 SER 49 1HB SER 49 119.536 14.581 -7.482 347 HB3 SER 49 2HB SER 49 119.057 13.840 -9.005 348 HG SER 49 HG SER 49 117.571 15.356 -7.636 349 H ARG 50 H ARG 50 119.831 11.127 -9.212 350 HA ARG 50 HA ARG 50 122.635 11.508 -8.786 351 HB2 ARG 50 1HB ARG 50 122.113 9.906 -6.943 352 HB3 ARG 50 2HB ARG 50 121.543 8.755 -8.152 353 HG2 ARG 50 1HG ARG 50 123.748 8.734 -9.215 354 HG3 ARG 50 2HG ARG 50 124.332 9.943 -8.070 355 HD2 ARG 50 1HD ARG 50 125.069 7.794 -7.273 356 HD3 ARG 50 2HD ARG 50 123.772 8.335 -6.211 357 HE ARG 50 HE ARG 50 122.431 6.614 -7.022 358 HH11 ARG 50 1HH1 ARG 50 125.312 6.849 -9.018 359 HH12 ARG 50 2HH1 ARG 50 124.984 5.359 -9.838 360 HH21 ARG 50 1HH2 ARG 50 122.063 4.705 -8.115 361 HH22 ARG 50 2HH2 ARG 50 123.169 4.161 -9.333 362 H THR 51 H THR 51 120.699 8.728 -9.905 363 HA THR 51 HA THR 51 121.388 9.438 -12.688 364 HB THR 51 HB THR 51 121.465 6.629 -11.553 365 HG1 THR 51 HG1 THR 51 123.509 6.954 -11.239 366 HG21 THR 51 3HG2 THR 51 122.453 6.107 -13.775 367 HG22 THR 51 1HG2 THR 51 122.172 7.777 -14.269 368 HG23 THR 51 2HG2 THR 51 120.805 6.723 -13.907 369 H ALA 52 H ALA 52 119.260 10.304 -12.766 370 HA ALA 52 HA ALA 52 117.168 8.245 -13.064 371 HB1 ALA 52 1HB ALA 52 116.765 9.316 -10.916 372 HB2 ALA 52 2HB ALA 52 115.539 9.841 -12.070 373 HB3 ALA 52 3HB ALA 52 116.879 10.912 -11.659 374 H SER 53 H SER 53 115.439 8.867 -14.511 375 HA SER 53 HA SER 53 116.239 10.152 -16.867 376 HB2 SER 53 1HB SER 53 113.419 9.792 -15.822 377 HB3 SER 53 2HB SER 53 113.873 10.116 -17.493 378 HG SER 53 HG SER 53 114.346 7.824 -15.906 379 H SER 54 H SER 54 115.349 12.166 -17.797 380 HA SER 54 HA SER 54 115.997 14.368 -16.184 381 HB2 SER 54 1HB SER 54 115.222 15.740 -18.020 382 HB3 SER 54 2HB SER 54 116.052 14.335 -18.676 383 HG SER 54 HG SER 54 114.026 14.750 -19.697 384 H GLY 55 H GLY 55 112.867 12.881 -16.893 385 HA2 GLY 55 1HA GLY 55 111.290 14.944 -15.704 386 HA3 GLY 55 2HA GLY 55 110.754 13.308 -16.075 387 H ASP 56 H ASP 56 112.804 11.996 -14.486 388 HA ASP 56 HA ASP 56 111.369 12.173 -11.954 389 HB2 ASP 56 1HB ASP 56 111.771 9.983 -13.052 390 HB3 ASP 56 2HB ASP 56 113.503 10.217 -12.830 391 H TYR 57 H TYR 57 112.069 13.456 -10.397 392 HA TYR 57 HA TYR 57 114.979 13.572 -9.850 393 HB2 TYR 57 1HB TYR 57 112.918 15.745 -9.443 394 HB3 TYR 57 2HB TYR 57 114.576 15.819 -8.883 395 HD1 TYR 57 HD1 TYR 57 116.428 15.564 -10.715 396 HD2 TYR 57 HD2 TYR 57 112.336 16.579 -11.537 397 HE1 TYR 57 HE1 TYR 57 117.108 16.536 -12.892 398 HE2 TYR 57 HE2 TYR 57 113.015 17.548 -13.715 399 HH TYR 57 HH TYR 57 116.122 18.341 -14.485 400 H ASN 58 H ASN 58 115.590 13.377 -7.679 401 HA ASN 58 HA ASN 58 113.407 12.698 -5.789 402 HB2 ASN 58 1HB ASN 58 116.281 11.804 -5.907 403 HB3 ASN 58 2HB ASN 58 115.228 11.499 -4.527 404 HD21 ASN 58 1HD2 ASN 58 116.361 9.388 -6.158 405 HD22 ASN 58 2HD2 ASN 58 115.077 8.600 -6.940 406 H LYS 59 H LYS 59 113.160 13.831 -3.970 407 HA LYS 59 HA LYS 59 115.230 15.785 -3.205 408 HB2 LYS 59 1HB LYS 59 113.515 16.882 -4.658 409 HB3 LYS 59 2HB LYS 59 112.288 16.441 -3.472 410 HG2 LYS 59 1HG LYS 59 113.537 17.713 -1.740 411 HG3 LYS 59 2HG LYS 59 114.704 18.204 -2.970 412 HD2 LYS 59 1HD LYS 59 112.814 19.215 -4.271 413 HD3 LYS 59 2HD LYS 59 111.744 18.850 -2.916 414 HE2 LYS 59 1HE LYS 59 112.366 21.041 -2.423 415 HE3 LYS 59 2HE LYS 59 113.567 20.129 -1.510 416 HZ1 LYS 59 3HZ LYS 59 114.549 21.915 -2.848 417 HZ2 LYS 59 1HZ LYS 59 113.965 21.176 -4.260 418 HZ3 LYS 59 2HZ LYS 59 115.123 20.384 -3.303 419 H ASN 60 H ASN 60 115.266 16.329 -1.023 420 HA ASN 60 HA ASN 60 114.897 16.161 1.227 421 HB2 ASN 60 1HB ASN 60 112.167 15.069 0.513 422 HB3 ASN 60 2HB ASN 60 112.670 15.748 2.057 423 HD21 ASN 60 1HD2 ASN 60 114.016 18.066 1.326 424 HD22 ASN 60 2HD2 ASN 60 112.969 19.107 0.487 425 H GLN 61 H GLN 61 115.305 14.680 2.830 426 HA GLN 61 HA GLN 61 115.248 11.828 2.037 427 HB2 GLN 61 1HB GLN 61 117.545 12.755 1.834 428 HB3 GLN 61 2HB GLN 61 117.482 13.226 3.531 429 HG2 GLN 61 1HG GLN 61 117.095 10.835 4.136 430 HG3 GLN 61 2HG GLN 61 117.289 10.406 2.438 431 HE21 GLN 61 1HE2 GLN 61 119.381 9.774 1.918 432 HE22 GLN 61 2HE2 GLN 61 120.783 10.289 2.727 433 H TYR 62 H TYR 62 114.881 10.344 3.791 434 HA TYR 62 HA TYR 62 114.534 11.474 6.435 435 HB2 TYR 62 1HB TYR 62 112.229 10.938 6.721 436 HB3 TYR 62 2HB TYR 62 112.384 11.958 5.307 437 HD1 TYR 62 HD1 TYR 62 111.939 11.071 3.067 438 HD2 TYR 62 HD2 TYR 62 111.572 8.607 6.565 439 HE1 TYR 62 HE1 TYR 62 110.685 9.384 1.748 440 HE2 TYR 62 HE2 TYR 62 110.319 6.921 5.247 441 HH TYR 62 HH TYR 62 108.818 7.094 2.999 442 H TYR 63 H TYR 63 114.136 9.928 8.073 443 HA TYR 63 HA TYR 63 114.945 7.172 7.339 444 HB2 TYR 63 1HB TYR 63 115.455 8.628 9.938 445 HB3 TYR 63 2HB TYR 63 116.014 7.023 9.512 446 HD1 TYR 63 HD1 TYR 63 117.775 6.743 7.762 447 HD2 TYR 63 HD2 TYR 63 116.593 10.604 9.222 448 HE1 TYR 63 HE1 TYR 63 119.847 7.730 6.824 449 HE2 TYR 63 HE2 TYR 63 118.665 11.592 8.284 450 HH TYR 63 HH TYR 63 121.227 9.601 6.986 451 H GLY 64 H GLY 64 113.629 5.554 8.028 452 HA2 GLY 64 1HA GLY 64 111.408 6.270 9.870 453 HA3 GLY 64 2HA GLY 64 111.156 5.306 8.421 454 H ILE 65 H ILE 65 111.156 4.971 11.560 455 HA ILE 65 HA ILE 65 112.392 2.269 11.494 456 HB ILE 65 HB ILE 65 111.891 3.993 13.931 457 HG12 ILE 65 1HG1 ILE 65 113.656 5.008 12.559 458 HG13 ILE 65 2HG1 ILE 65 114.343 4.298 14.014 459 HG21 ILE 65 1HG2 ILE 65 111.866 1.574 14.344 460 HG22 ILE 65 2HG2 ILE 65 113.301 2.311 15.056 461 HG23 ILE 65 3HG2 ILE 65 113.429 1.412 13.543 462 HD11 ILE 65 3HD1 ILE 65 114.330 3.031 11.255 463 HD12 ILE 65 1HD1 ILE 65 114.990 2.288 12.711 464 HD13 ILE 65 2HD1 ILE 65 115.724 3.751 12.059 465 H THR 66 H THR 66 110.875 0.701 11.441 466 HA THR 66 HA THR 66 108.238 1.270 12.688 467 HB THR 66 HB THR 66 107.206 -0.094 10.936 468 HG1 THR 66 HG1 THR 66 108.376 -1.133 9.511 469 HG21 THR 66 3HG2 THR 66 107.079 2.116 10.264 470 HG22 THR 66 1HG2 THR 66 108.003 1.436 8.926 471 HG23 THR 66 2HG2 THR 66 108.829 2.317 10.209 472 H ALA 67 H ALA 67 107.193 -0.436 13.710 473 HA ALA 67 HA ALA 67 108.503 -3.059 13.752 474 HB1 ALA 67 1HB ALA 67 109.151 -1.487 15.769 475 HB2 ALA 67 2HB ALA 67 108.753 -3.180 16.059 476 HB3 ALA 67 3HB ALA 67 107.548 -1.926 16.358 477 H GLY 68 H GLY 68 107.024 -4.787 14.110 478 HA2 GLY 68 1HA GLY 68 104.306 -4.264 14.908 479 HA3 GLY 68 2HA GLY 68 104.456 -4.476 13.172 480 HA PRO 69 HA PRO 69 104.419 -8.730 15.031 481 HB2 PRO 69 1HB PRO 69 101.817 -9.296 15.510 482 HB3 PRO 69 2HB PRO 69 102.833 -8.444 16.689 483 HG2 PRO 69 1HG PRO 69 100.641 -7.430 15.050 484 HG3 PRO 69 2HG PRO 69 101.360 -6.757 16.522 485 HD2 PRO 69 1HD PRO 69 101.871 -6.001 13.767 486 HD3 PRO 69 2HD PRO 69 102.481 -5.241 15.253 487 H ALA 70 H ALA 70 104.737 -10.086 13.408 488 HA ALA 70 HA ALA 70 103.077 -10.234 11.048 489 HB1 ALA 70 1HB ALA 70 104.731 -11.538 10.163 490 HB2 ALA 70 2HB ALA 70 105.030 -12.387 11.680 491 HB3 ALA 70 3HB ALA 70 105.675 -10.766 11.436 492 H TYR 71 H TYR 71 101.545 -11.762 10.569 493 HA TYR 71 HA TYR 71 101.092 -13.929 12.537 494 HB2 TYR 71 1HB TYR 71 99.120 -12.673 10.614 495 HB3 TYR 71 2HB TYR 71 98.775 -13.976 11.735 496 HD1 TYR 71 HD1 TYR 71 98.755 -13.533 14.195 497 HD2 TYR 71 HD2 TYR 71 99.179 -10.384 11.305 498 HE1 TYR 71 HE1 TYR 71 98.164 -11.863 15.929 499 HE2 TYR 71 HE2 TYR 71 98.586 -8.713 13.038 500 HH TYR 71 HH TYR 71 98.237 -9.619 16.417 501 H ARG 72 H ARG 72 101.286 -15.994 11.750 502 HA ARG 72 HA ARG 72 102.382 -16.127 9.031 503 HB2 ARG 72 1HB ARG 72 102.541 -18.047 11.358 504 HB3 ARG 72 2HB ARG 72 103.279 -18.324 9.780 505 HG2 ARG 72 1HG ARG 72 104.541 -16.181 10.045 506 HG3 ARG 72 2HG ARG 72 103.883 -16.037 11.676 507 HD2 ARG 72 1HD ARG 72 105.610 -18.304 10.643 508 HD3 ARG 72 2HD ARG 72 106.113 -17.043 11.764 509 HE ARG 72 HE ARG 72 104.045 -18.091 13.091 510 HH11 ARG 72 1HH1 ARG 72 106.670 -19.733 11.433 511 HH12 ARG 72 2HH1 ARG 72 106.606 -21.108 12.485 512 HH21 ARG 72 1HH2 ARG 72 104.009 -19.892 14.409 513 HH22 ARG 72 2HH2 ARG 72 105.120 -21.195 14.148 514 H ILE 73 H ILE 73 100.868 -16.500 7.553 515 HA ILE 73 HA ILE 73 98.968 -18.704 7.925 516 HB ILE 73 HB ILE 73 99.305 -16.806 5.589 517 HG12 ILE 73 1HG1 ILE 73 98.625 -15.597 7.612 518 HG13 ILE 73 2HG1 ILE 73 97.282 -15.697 6.483 519 HG21 ILE 73 1HG2 ILE 73 98.169 -18.635 4.709 520 HG22 ILE 73 2HG2 ILE 73 96.832 -17.642 5.291 521 HG23 ILE 73 3HG2 ILE 73 97.386 -19.018 6.243 522 HD11 ILE 73 3HD1 ILE 73 97.004 -17.985 8.095 523 HD12 ILE 73 1HD1 ILE 73 96.058 -16.501 8.195 524 HD13 ILE 73 2HD1 ILE 73 97.489 -16.705 9.203 525 H ASN 74 H ASN 74 99.258 -20.675 6.995 526 HA ASN 74 HA ASN 74 101.846 -21.420 6.164 527 HB2 ASN 74 1HB ASN 74 100.837 -23.593 5.626 528 HB3 ASN 74 2HB ASN 74 100.269 -22.996 7.183 529 HD21 ASN 74 1HD2 ASN 74 98.021 -22.785 7.444 530 HD22 ASN 74 2HD2 ASN 74 96.898 -22.926 6.177 531 H ASP 75 H ASP 75 98.944 -20.603 4.304 532 HA ASP 75 HA ASP 75 100.183 -21.200 1.762 533 HB2 ASP 75 1HB ASP 75 97.668 -19.664 2.464 534 HB3 ASP 75 2HB ASP 75 98.160 -20.093 0.828 535 H TRP 76 H TRP 76 99.660 -19.024 0.177 536 HA TRP 76 HA TRP 76 101.668 -17.112 1.058 537 HB2 TRP 76 1HB TRP 76 101.427 -16.168 -1.186 538 HB3 TRP 76 2HB TRP 76 101.710 -17.896 -1.245 539 HD1 TRP 76 HD1 TRP 76 99.199 -15.225 -2.123 540 HE1 TRP 76 HE1 TRP 76 97.272 -16.274 -3.472 541 HE3 TRP 76 HE3 TRP 76 100.313 -20.175 -1.549 542 HZ2 TRP 76 HZ2 TRP 76 96.325 -18.873 -4.214 543 HZ3 TRP 76 HZ3 TRP 76 98.886 -21.912 -2.585 544 HH2 TRP 76 HH2 TRP 76 96.897 -21.271 -3.916 545 H ALA 77 H ALA 77 99.567 -16.976 2.770 546 HA ALA 77 HA ALA 77 98.067 -14.558 1.983 547 HB1 ALA 77 1HB ALA 77 96.375 -16.121 2.035 548 HB2 ALA 77 2HB ALA 77 96.359 -15.573 3.710 549 HB3 ALA 77 3HB ALA 77 97.159 -17.085 3.285 550 H SER 78 H SER 78 100.656 -14.836 3.579 551 HA SER 78 HA SER 78 99.983 -14.612 6.356 552 HB2 SER 78 1HB SER 78 102.512 -13.827 4.886 553 HB3 SER 78 2HB SER 78 102.343 -13.957 6.634 554 HG SER 78 HG SER 78 102.418 -15.939 4.659 555 H ILE 79 H ILE 79 100.273 -12.652 7.662 556 HA ILE 79 HA ILE 79 99.996 -10.141 6.154 557 HB ILE 79 HB ILE 79 98.014 -11.002 8.280 558 HG12 ILE 79 1HG1 ILE 79 97.596 -10.607 5.300 559 HG13 ILE 79 2HG1 ILE 79 97.748 -12.183 6.077 560 HG21 ILE 79 1HG2 ILE 79 98.520 -8.561 8.184 561 HG22 ILE 79 2HG2 ILE 79 96.863 -8.922 7.703 562 HG23 ILE 79 3HG2 ILE 79 98.078 -8.561 6.477 563 HD11 ILE 79 3HD1 ILE 79 95.815 -11.494 7.582 564 HD12 ILE 79 1HD1 ILE 79 95.401 -11.763 5.888 565 HD13 ILE 79 2HD1 ILE 79 95.579 -10.119 6.504 566 H TYR 80 H TYR 80 101.246 -8.620 7.054 567 HA TYR 80 HA TYR 80 101.483 -8.587 9.994 568 HB2 TYR 80 1HB TYR 80 103.838 -8.173 9.923 569 HB3 TYR 80 2HB TYR 80 103.503 -9.666 9.073 570 HD1 TYR 80 HD1 TYR 80 103.627 -9.733 6.583 571 HD2 TYR 80 HD2 TYR 80 104.823 -6.282 8.843 572 HE1 TYR 80 HE1 TYR 80 104.902 -8.897 4.629 573 HE2 TYR 80 HE2 TYR 80 106.095 -5.443 6.888 574 HH TYR 80 HH TYR 80 106.540 -5.743 4.717 575 H GLY 81 H GLY 81 101.577 -6.600 10.915 576 HA2 GLY 81 1HA GLY 81 101.401 -4.264 9.084 577 HA3 GLY 81 2HA GLY 81 100.231 -4.492 10.381 578 H VAL 82 H VAL 82 102.409 -2.417 9.792 579 HA VAL 82 HA VAL 82 103.737 -2.526 12.429 580 HB VAL 82 HB VAL 82 105.823 -1.705 11.373 581 HG11 VAL 82 1HG1 VAL 82 105.933 -4.004 11.759 582 HG12 VAL 82 2HG1 VAL 82 106.243 -3.917 10.026 583 HG13 VAL 82 3HG1 VAL 82 104.641 -4.362 10.613 584 HG21 VAL 82 3HG2 VAL 82 104.891 -0.688 9.363 585 HG22 VAL 82 1HG2 VAL 82 104.295 -2.253 8.810 586 HG23 VAL 82 2HG2 VAL 82 106.030 -1.949 8.890 587 H VAL 83 H VAL 83 104.394 -0.506 13.257 588 HA VAL 83 HA VAL 83 103.461 1.892 11.809 589 HB VAL 83 HB VAL 83 101.844 1.387 13.604 590 HG11 VAL 83 1HG1 VAL 83 103.547 0.159 15.035 591 HG12 VAL 83 2HG1 VAL 83 102.489 1.266 15.911 592 HG13 VAL 83 3HG1 VAL 83 104.146 1.739 15.537 593 HG21 VAL 83 3HG2 VAL 83 102.615 3.766 13.021 594 HG22 VAL 83 1HG2 VAL 83 103.572 3.699 14.501 595 HG23 VAL 83 2HG2 VAL 83 101.815 3.555 14.579 596 H GLY 84 H GLY 84 104.886 3.660 11.947 597 HA2 GLY 84 1HA GLY 84 107.266 3.346 13.625 598 HA3 GLY 84 2HA GLY 84 107.509 3.380 11.885 599 H VAL 85 H VAL 85 108.806 5.226 13.161 600 HA VAL 85 HA VAL 85 107.225 7.721 12.849 601 HB VAL 85 HB VAL 85 109.754 7.298 14.469 602 HG11 VAL 85 1HG1 VAL 85 107.847 9.654 14.364 603 HG12 VAL 85 2HG1 VAL 85 109.385 9.587 13.500 604 HG13 VAL 85 3HG1 VAL 85 109.361 9.558 15.264 605 HG21 VAL 85 3HG2 VAL 85 108.203 7.670 16.417 606 HG22 VAL 85 1HG2 VAL 85 107.901 6.161 15.553 607 HG23 VAL 85 2HG2 VAL 85 106.847 7.551 15.296 608 H GLY 86 H GLY 86 107.852 9.076 11.253 609 HA2 GLY 86 1HA GLY 86 110.447 8.506 9.911 610 HA3 GLY 86 2HA GLY 86 109.011 9.103 9.089 611 H TYR 87 H TYR 87 111.921 10.066 9.845 612 HA TYR 87 HA TYR 87 111.115 12.849 10.483 613 HB2 TYR 87 1HB TYR 87 113.861 11.670 10.890 614 HB3 TYR 87 2HB TYR 87 113.240 13.186 11.506 615 HD1 TYR 87 HD1 TYR 87 113.250 9.527 11.898 616 HD2 TYR 87 HD2 TYR 87 111.875 13.254 13.525 617 HE1 TYR 87 HE1 TYR 87 112.641 8.378 14.009 618 HE2 TYR 87 HE2 TYR 87 111.264 12.105 15.638 619 HH TYR 87 HH TYR 87 111.875 8.619 16.077 620 H GLY 88 H GLY 88 111.300 14.156 8.743 621 HA2 GLY 88 1HA GLY 88 113.289 13.449 6.651 622 HA3 GLY 88 2HA GLY 88 111.673 14.029 6.271 623 H LYS 89 H LYS 89 114.283 15.169 5.523 624 HA LYS 89 HA LYS 89 113.733 17.902 6.212 625 HB2 LYS 89 1HB LYS 89 115.784 18.404 7.384 626 HB3 LYS 89 2HB LYS 89 114.941 17.117 8.239 627 HG2 LYS 89 1HG LYS 89 116.407 15.451 7.078 628 HG3 LYS 89 2HG LYS 89 117.303 16.792 6.363 629 HD2 LYS 89 1HD LYS 89 117.679 17.639 8.738 630 HD3 LYS 89 2HD LYS 89 117.065 16.082 9.294 631 HE2 LYS 89 1HE LYS 89 118.816 15.052 7.682 632 HE3 LYS 89 2HE LYS 89 119.553 16.656 7.691 633 HZ1 LYS 89 3HZ LYS 89 120.264 16.408 9.784 634 HZ2 LYS 89 1HZ LYS 89 120.060 14.747 9.501 635 HZ3 LYS 89 2HZ LYS 89 118.844 15.628 10.298 636 H PHE 90 H PHE 90 115.392 19.396 5.208 637 HA PHE 90 HA PHE 90 116.297 18.233 2.647 638 HB2 PHE 90 1HB PHE 90 114.689 20.123 2.566 639 HB3 PHE 90 2HB PHE 90 115.859 21.125 3.403 640 HD1 PHE 90 HD1 PHE 90 115.141 19.300 0.259 641 HD2 PHE 90 HD2 PHE 90 117.717 22.109 2.243 642 HE1 PHE 90 HE1 PHE 90 116.160 19.904 -1.919 643 HE2 PHE 90 HE2 PHE 90 118.736 22.711 0.064 644 HZ PHE 90 HZ PHE 90 117.958 21.610 -2.019 645 H GLN 91 H GLN 91 118.400 18.020 2.261 646 HA GLN 91 HA GLN 91 120.324 19.489 3.976 647 HB2 GLN 91 1HB GLN 91 120.285 17.015 4.309 648 HB3 GLN 91 2HB GLN 91 120.726 16.816 2.613 649 HG2 GLN 91 1HG GLN 91 122.754 18.235 3.041 650 HG3 GLN 91 2HG GLN 91 122.343 18.221 4.755 651 HE21 GLN 91 1HE2 GLN 91 123.560 16.684 5.845 652 HE22 GLN 91 2HE2 GLN 91 124.009 15.170 5.220 653 H THR 92 H THR 92 121.886 20.663 3.008 654 HA THR 92 HA THR 92 121.815 20.834 0.073 655 HB THR 92 HB THR 92 123.180 22.668 2.059 656 HG1 THR 92 HG1 THR 92 120.791 23.169 0.653 657 HG21 THR 92 3HG2 THR 92 122.826 24.206 -0.048 658 HG22 THR 92 1HG2 THR 92 122.750 22.668 -0.912 659 HG23 THR 92 2HG2 THR 92 124.195 23.095 0.005 660 H THR 93 H THR 93 123.621 20.519 -1.194 661 HA THR 93 HA THR 93 125.470 18.580 -0.414 662 HB THR 93 HB THR 93 125.847 20.645 -2.595 663 HG1 THR 93 HG1 THR 93 123.976 19.709 -3.091 664 HG21 THR 93 3HG2 THR 93 127.871 19.464 -2.377 665 HG22 THR 93 1HG2 THR 93 127.008 18.560 -3.622 666 HG23 THR 93 2HG2 THR 93 127.053 17.958 -1.964 667 H GLU 94 H GLU 94 125.797 22.115 -0.510 668 HA GLU 94 HA GLU 94 128.399 21.880 0.866 669 HB2 GLU 94 1HB GLU 94 127.128 24.228 -0.561 670 HB3 GLU 94 2HB GLU 94 128.686 24.271 0.263 671 HG2 GLU 94 1HG GLU 94 129.256 23.865 -1.988 672 HG3 GLU 94 2HG GLU 94 129.329 22.275 -1.236 673 H TYR 95 H TYR 95 125.790 24.317 0.947 674 HA TYR 95 HA TYR 95 125.291 23.819 3.759 675 HB2 TYR 95 1HB TYR 95 126.770 26.241 2.786 676 HB3 TYR 95 2HB TYR 95 125.736 26.341 4.199 677 HD1 TYR 95 HD1 TYR 95 126.211 24.781 6.165 678 HD2 TYR 95 HD2 TYR 95 128.953 25.359 2.908 679 HE1 TYR 95 HE1 TYR 95 128.056 23.881 7.557 680 HE2 TYR 95 HE2 TYR 95 130.797 24.459 4.302 681 HH TYR 95 HH TYR 95 130.737 24.232 7.506 682 HA PRO 96 HA PRO 96 121.230 25.224 2.716 683 HB2 PRO 96 1HB PRO 96 121.327 27.056 5.070 684 HB3 PRO 96 2HB PRO 96 120.110 25.839 4.636 685 HG2 PRO 96 1HG PRO 96 121.866 25.410 6.585 686 HG3 PRO 96 2HG PRO 96 121.325 24.108 5.512 687 HD2 PRO 96 1HD PRO 96 123.942 25.533 5.557 688 HD3 PRO 96 2HD PRO 96 123.574 23.861 5.081 689 H THR 97 H THR 97 121.123 26.506 0.947 690 HA THR 97 HA THR 97 122.620 28.822 0.484 691 HB THR 97 HB THR 97 119.919 28.148 -0.708 692 HG1 THR 97 HG1 THR 97 121.607 26.492 -0.787 693 HG21 THR 97 3HG2 THR 97 120.440 30.313 -1.430 694 HG22 THR 97 1HG2 THR 97 121.157 29.318 -2.696 695 HG23 THR 97 2HG2 THR 97 122.175 30.000 -1.430 696 H TYR 98 H TYR 98 119.321 28.442 1.742 697 HA TYR 98 HA TYR 98 119.481 30.775 3.346 698 HB2 TYR 98 1HB TYR 98 119.272 31.774 1.023 699 HB3 TYR 98 2HB TYR 98 117.670 31.067 0.953 700 HD1 TYR 98 HD1 TYR 98 115.843 31.945 2.329 701 HD2 TYR 98 HD2 TYR 98 119.781 33.653 2.485 702 HE1 TYR 98 HE1 TYR 98 114.934 33.932 3.501 703 HE2 TYR 98 HE2 TYR 98 118.872 35.640 3.658 704 HH TYR 98 HH TYR 98 116.806 36.794 3.987 705 H LYS 99 H LYS 99 117.077 28.975 1.408 706 HA LYS 99 HA LYS 99 115.355 28.790 3.783 707 HB2 LYS 99 1HB LYS 99 114.825 28.138 0.876 708 HB3 LYS 99 2HB LYS 99 113.647 27.969 2.177 709 HG2 LYS 99 1HG LYS 99 113.920 30.398 2.687 710 HG3 LYS 99 2HG LYS 99 114.992 30.537 1.292 711 HD2 LYS 99 1HD LYS 99 113.148 29.678 -0.157 712 HD3 LYS 99 2HD LYS 99 112.081 29.693 1.246 713 HE2 LYS 99 1HE LYS 99 111.715 31.756 0.055 714 HE3 LYS 99 2HE LYS 99 112.622 32.151 1.515 715 HZ1 LYS 99 3HZ LYS 99 113.956 31.596 -1.066 716 HZ2 LYS 99 1HZ LYS 99 114.602 32.353 0.308 717 HZ3 LYS 99 2HZ LYS 99 113.438 33.155 -0.634 718 H HIS 100 H HIS 100 114.925 26.895 4.796 719 HA HIS 100 HA HIS 100 115.856 24.386 3.557 720 HB2 HIS 100 1HB HIS 100 116.803 23.661 5.695 721 HB3 HIS 100 2HB HIS 100 117.617 25.085 5.078 722 HD1 HIS 100 HD1 HIS 100 116.429 27.435 6.150 723 HD2 HIS 100 HD2 HIS 100 116.242 23.905 8.362 724 HE1 HIS 100 HE1 HIS 100 115.985 28.115 8.547 725 H ASP 101 H ASP 101 114.474 22.730 3.784 726 HA ASP 101 HA ASP 101 111.854 23.100 4.709 727 HB2 ASP 101 1HB ASP 101 113.423 20.563 4.226 728 HB3 ASP 101 2HB ASP 101 111.694 20.602 4.561 729 H THR 102 H THR 102 114.718 21.875 6.359 730 HA THR 102 HA THR 102 115.141 21.458 8.571 731 HB THR 102 HB THR 102 112.439 22.471 9.389 732 HG1 THR 102 HG1 THR 102 113.192 24.571 9.123 733 HG21 THR 102 3HG2 THR 102 113.714 21.957 11.262 734 HG22 THR 102 1HG2 THR 102 114.134 23.655 11.032 735 HG23 THR 102 2HG2 THR 102 115.230 22.391 10.476 736 H SER 103 H SER 103 114.200 20.200 10.507 737 HA SER 103 HA SER 103 113.345 17.689 9.478 738 HB2 SER 103 1HB SER 103 113.529 16.896 11.716 739 HB3 SER 103 2HB SER 103 114.809 18.087 11.511 740 HG SER 103 HG SER 103 113.828 19.360 12.889 741 H ASP 104 H ASP 104 111.448 16.541 9.893 742 HA ASP 104 HA ASP 104 109.188 17.860 11.170 743 HB2 ASP 104 1HB ASP 104 109.133 18.621 8.777 744 HB3 ASP 104 2HB ASP 104 108.982 16.933 8.295 745 H TYR 105 H TYR 105 107.669 16.372 11.923 746 HA TYR 105 HA TYR 105 108.576 13.568 11.793 747 HB2 TYR 105 1HB TYR 105 106.669 14.864 13.740 748 HB3 TYR 105 2HB TYR 105 107.362 13.259 13.859 749 HD1 TYR 105 HD1 TYR 105 107.967 16.862 14.241 750 HD2 TYR 105 HD2 TYR 105 109.683 12.940 14.548 751 HE1 TYR 105 HE1 TYR 105 109.868 17.798 15.528 752 HE2 TYR 105 HE2 TYR 105 111.589 13.873 15.836 753 HH TYR 105 HH TYR 105 112.577 16.708 15.856 754 H GLY 106 H GLY 106 107.237 11.926 11.133 755 HA2 GLY 106 1HA GLY 106 104.386 12.532 10.707 756 HA3 GLY 106 2HA GLY 106 105.323 11.859 9.371 757 H PHE 107 H PHE 107 103.056 10.589 10.615 758 HA PHE 107 HA PHE 107 104.332 8.289 11.979 759 HB2 PHE 107 1HB PHE 107 101.425 9.092 11.773 760 HB3 PHE 107 2HB PHE 107 102.022 7.664 12.598 761 HD1 PHE 107 HD1 PHE 107 103.360 7.890 14.683 762 HD2 PHE 107 HD2 PHE 107 101.566 11.280 12.750 763 HE1 PHE 107 HE1 PHE 107 103.665 9.229 16.748 764 HE2 PHE 107 HE2 PHE 107 101.873 12.620 14.815 765 HZ PHE 107 HZ PHE 107 102.923 11.593 16.813 766 H SER 108 H SER 108 104.642 6.468 10.824 767 HA SER 108 HA SER 108 103.199 6.223 8.238 768 HB2 SER 108 1HB SER 108 105.809 4.968 9.119 769 HB3 SER 108 2HB SER 108 105.058 4.791 7.537 770 HG SER 108 HG SER 108 105.296 7.020 7.241 771 H TYR 109 H TYR 109 101.895 4.540 7.875 772 HA TYR 109 HA TYR 109 102.073 2.184 9.671 773 HB2 TYR 109 1HB TYR 109 99.570 3.376 8.463 774 HB3 TYR 109 2HB TYR 109 99.647 1.930 9.449 775 HD1 TYR 109 HD1 TYR 109 100.157 2.097 11.879 776 HD2 TYR 109 HD2 TYR 109 99.627 5.577 9.418 777 HE1 TYR 109 HE1 TYR 109 99.857 3.488 13.910 778 HE2 TYR 109 HE2 TYR 109 99.326 6.968 11.449 779 HH TYR 109 HH TYR 109 99.654 6.992 13.722 780 H GLY 110 H GLY 110 102.083 0.192 8.616 781 HA2 GLY 110 1HA GLY 110 101.490 0.161 5.739 782 HA3 GLY 110 2HA GLY 110 103.119 -0.269 6.239 783 H ALA 111 H ALA 111 101.308 -1.950 4.841 784 HA ALA 111 HA ALA 111 101.413 -4.228 6.681 785 HB1 ALA 111 1HB ALA 111 98.962 -3.938 4.980 786 HB2 ALA 111 2HB ALA 111 99.030 -3.114 6.537 787 HB3 ALA 111 3HB ALA 111 99.190 -4.868 6.460 788 H GLY 112 H GLY 112 101.662 -6.228 5.600 789 HA2 GLY 112 1HA GLY 112 101.842 -6.170 2.674 790 HA3 GLY 112 2HA GLY 112 103.330 -6.484 3.558 791 H LEU 113 H LEU 113 102.360 -8.274 1.758 792 HA LEU 113 HA LEU 113 101.299 -10.490 3.398 793 HB2 LEU 113 1HB LEU 113 101.359 -10.231 0.380 794 HB3 LEU 113 2HB LEU 113 100.630 -11.548 1.300 795 HG LEU 113 HG LEU 113 99.785 -8.642 1.486 796 HD11 LEU 113 1HD1 LEU 113 99.182 -9.533 -0.691 797 HD12 LEU 113 2HD1 LEU 113 97.729 -9.482 0.309 798 HD13 LEU 113 3HD1 LEU 113 98.563 -11.012 0.042 799 HD21 LEU 113 3HD2 LEU 113 99.252 -9.720 3.541 800 HD22 LEU 113 1HD2 LEU 113 98.798 -11.217 2.728 801 HD23 LEU 113 2HD2 LEU 113 97.765 -9.794 2.597 802 H GLN 114 H GLN 114 102.396 -12.538 3.293 803 HA GLN 114 HA GLN 114 105.127 -12.392 2.168 804 HB2 GLN 114 1HB GLN 114 105.184 -11.676 4.556 805 HB3 GLN 114 2HB GLN 114 104.524 -13.247 5.005 806 HG2 GLN 114 1HG GLN 114 106.454 -14.372 3.990 807 HG3 GLN 114 2HG GLN 114 107.107 -12.821 3.479 808 HE21 GLN 114 1HE2 GLN 114 108.766 -14.313 5.073 809 HE22 GLN 114 2HE2 GLN 114 108.825 -13.685 6.647 810 H PHE 115 H PHE 115 105.718 -14.178 1.166 811 HA PHE 115 HA PHE 115 104.687 -16.770 2.112 812 HB2 PHE 115 1HB PHE 115 103.346 -16.191 0.138 813 HB3 PHE 115 2HB PHE 115 104.809 -15.892 -0.783 814 HD1 PHE 115 HD1 PHE 115 102.969 -18.559 1.084 815 HD2 PHE 115 HD2 PHE 115 105.848 -17.639 -1.968 816 HE1 PHE 115 HE1 PHE 115 103.019 -20.945 0.412 817 HE2 PHE 115 HE2 PHE 115 105.897 -20.026 -2.641 818 HZ PHE 115 HZ PHE 115 104.483 -21.678 -1.449 819 H ASN 116 H ASN 116 106.373 -18.168 2.427 820 HA ASN 116 HA ASN 116 108.952 -17.461 1.155 821 HB2 ASN 116 1HB ASN 116 110.058 -17.832 3.323 822 HB3 ASN 116 2HB ASN 116 108.924 -16.483 3.368 823 HD21 ASN 116 1HD2 ASN 116 109.626 -19.647 4.675 824 HD22 ASN 116 2HD2 ASN 116 108.291 -19.723 5.722 825 HA PRO 117 HA PRO 117 109.588 -21.930 1.465 826 HB2 PRO 117 1HB PRO 117 111.060 -22.090 -0.917 827 HB3 PRO 117 2HB PRO 117 109.335 -22.457 -0.750 828 HG2 PRO 117 1HG PRO 117 110.495 -20.347 -2.207 829 HG3 PRO 117 2HG PRO 117 108.778 -20.622 -1.892 830 HD2 PRO 117 1HD PRO 117 110.667 -18.783 -0.496 831 HD3 PRO 117 2HD PRO 117 108.911 -18.625 -0.746 832 H MET 118 H MET 118 111.887 -23.049 1.252 833 HA MET 118 HA MET 118 113.603 -21.775 3.044 834 HB2 MET 118 1HB MET 118 113.511 -24.241 2.434 835 HB3 MET 118 2HB MET 118 114.487 -23.834 1.024 836 HG2 MET 118 1HG MET 118 116.163 -22.780 2.578 837 HG3 MET 118 2HG MET 118 115.229 -23.416 3.931 838 HE1 MET 118 3HE MET 118 115.407 -26.987 3.972 839 HE2 MET 118 1HE MET 118 114.425 -26.615 2.551 840 HE3 MET 118 2HE MET 118 114.335 -25.590 3.981 841 H GLU 119 H GLU 119 115.443 -20.588 2.866 842 HA GLU 119 HA GLU 119 117.245 -19.504 2.012 843 HB2 GLU 119 1HB GLU 119 117.092 -21.653 0.398 844 HB3 GLU 119 2HB GLU 119 116.795 -20.392 -0.794 845 HG2 GLU 119 1HG GLU 119 118.891 -19.237 -0.003 846 HG3 GLU 119 2HG GLU 119 119.183 -20.601 1.058 847 H ASN 120 H ASN 120 117.369 -18.331 -0.739 848 HA ASN 120 HA ASN 120 116.421 -15.794 0.005 849 HB2 ASN 120 1HB ASN 120 117.350 -16.797 -2.686 850 HB3 ASN 120 2HB ASN 120 117.194 -15.105 -2.214 851 HD21 ASN 120 1HD2 ASN 120 118.256 -15.160 0.397 852 HD22 ASN 120 2HD2 ASN 120 119.889 -15.618 0.328 853 H VAL 121 H VAL 121 114.582 -18.309 -1.240 854 HA VAL 121 HA VAL 121 113.290 -16.897 -3.386 855 HB VAL 121 HB VAL 121 112.438 -19.558 -2.241 856 HG11 VAL 121 1HG1 VAL 121 110.846 -18.940 -3.829 857 HG12 VAL 121 2HG1 VAL 121 111.990 -19.820 -4.835 858 HG13 VAL 121 3HG1 VAL 121 112.015 -18.055 -4.806 859 HG21 VAL 121 3HG2 VAL 121 114.702 -18.906 -4.144 860 HG22 VAL 121 1HG2 VAL 121 113.921 -20.489 -4.129 861 HG23 VAL 121 2HG2 VAL 121 114.758 -19.904 -2.690 862 H ALA 122 H ALA 122 112.866 -16.007 -0.397 863 HA ALA 122 HA ALA 122 109.931 -16.285 -0.309 864 HB1 ALA 122 1HB ALA 122 111.944 -15.419 1.784 865 HB2 ALA 122 2HB ALA 122 111.100 -16.965 1.722 866 HB3 ALA 122 3HB ALA 122 110.200 -15.481 2.037 867 H LEU 123 H LEU 123 108.604 -14.492 -0.374 868 HA LEU 123 HA LEU 123 109.927 -11.923 -1.029 869 HB2 LEU 123 1HB LEU 123 107.942 -13.534 -2.577 870 HB3 LEU 123 2HB LEU 123 107.772 -11.787 -2.624 871 HG LEU 123 HG LEU 123 109.132 -12.677 -4.494 872 HD11 LEU 123 1HD1 LEU 123 109.467 -10.384 -3.379 873 HD12 LEU 123 2HD1 LEU 123 110.756 -10.973 -4.427 874 HD13 LEU 123 3HD1 LEU 123 110.926 -11.082 -2.674 875 HD21 LEU 123 3HD2 LEU 123 111.111 -13.857 -4.224 876 HD22 LEU 123 1HD2 LEU 123 110.179 -14.480 -2.861 877 HD23 LEU 123 2HD2 LEU 123 111.390 -13.225 -2.601 878 H ASP 124 H ASP 124 108.899 -10.070 -0.376 879 HA ASP 124 HA ASP 124 106.248 -10.319 0.890 880 HB2 ASP 124 1HB ASP 124 106.952 -8.903 2.747 881 HB3 ASP 124 2HB ASP 124 107.946 -10.354 2.682 882 H PHE 125 H PHE 125 104.881 -8.647 0.464 883 HA PHE 125 HA PHE 125 105.997 -6.253 -0.888 884 HB2 PHE 125 1HB PHE 125 103.459 -7.734 -1.596 885 HB3 PHE 125 2HB PHE 125 103.962 -6.205 -2.289 886 HD1 PHE 125 HD1 PHE 125 105.934 -6.101 -3.795 887 HD2 PHE 125 HD2 PHE 125 104.430 -9.825 -2.274 888 HE1 PHE 125 HE1 PHE 125 107.225 -7.326 -5.523 889 HE2 PHE 125 HE2 PHE 125 105.720 -11.050 -4.001 890 HZ PHE 125 HZ PHE 125 107.116 -9.801 -5.626 891 H SER 126 H SER 126 105.222 -4.305 -0.134 892 HA SER 126 HA SER 126 102.932 -4.372 1.725 893 HB2 SER 126 1HB SER 126 105.621 -3.187 2.439 894 HB3 SER 126 2HB SER 126 104.163 -3.129 3.424 895 HG SER 126 HG SER 126 104.776 -5.002 4.137 896 H TYR 127 H TYR 127 101.925 -2.387 2.096 897 HA TYR 127 HA TYR 127 102.825 -0.114 0.428 898 HB2 TYR 127 1HB TYR 127 99.982 -0.896 1.105 899 HB3 TYR 127 2HB TYR 127 100.466 0.520 0.189 900 HD1 TYR 127 HD1 TYR 127 101.551 0.218 -2.070 901 HD2 TYR 127 HD2 TYR 127 99.757 -3.032 0.092 902 HE1 TYR 127 HE1 TYR 127 101.454 -1.118 -4.158 903 HE2 TYR 127 HE2 TYR 127 99.659 -4.367 -1.995 904 HH TYR 127 HH TYR 127 100.136 -4.435 -4.158 905 H GLU 128 H GLU 128 102.791 1.898 1.444 906 HA GLU 128 HA GLU 128 102.099 1.888 4.327 907 HB2 GLU 128 1HB GLU 128 104.460 3.235 2.997 908 HB3 GLU 128 2HB GLU 128 104.026 3.373 4.700 909 HG2 GLU 128 1HG GLU 128 104.257 0.905 4.924 910 HG3 GLU 128 2HG GLU 128 104.779 0.823 3.247 911 H GLN 129 H GLN 129 101.322 3.824 5.179 912 HA GLN 129 HA GLN 129 100.562 5.899 3.213 913 HB2 GLN 129 1HB GLN 129 98.641 4.405 3.808 914 HB3 GLN 129 2HB GLN 129 98.832 4.908 5.487 915 HG2 GLN 129 1HG GLN 129 97.159 6.344 4.592 916 HG3 GLN 129 2HG GLN 129 98.628 7.315 4.633 917 HE21 GLN 129 1HE2 GLN 129 99.055 8.398 2.712 918 HE22 GLN 129 2HE2 GLN 129 98.521 7.907 1.178 919 H SER 130 H SER 130 100.980 7.905 3.789 920 HA SER 130 HA SER 130 101.549 8.526 6.626 921 HB2 SER 130 1HB SER 130 102.453 10.168 4.254 922 HB3 SER 130 2HB SER 130 102.991 10.287 5.923 923 HG SER 130 HG SER 130 104.463 8.894 5.381 924 H ARG 131 H ARG 131 100.645 10.556 7.394 925 HA ARG 131 HA ARG 131 97.879 10.462 6.465 926 HB2 ARG 131 1HB ARG 131 98.468 10.025 8.857 927 HB3 ARG 131 2HB ARG 131 99.021 11.696 8.985 928 HG2 ARG 131 1HG ARG 131 96.764 12.475 8.311 929 HG3 ARG 131 2HG ARG 131 96.217 10.799 8.261 930 HD2 ARG 131 1HD ARG 131 96.861 10.565 10.663 931 HD3 ARG 131 2HD ARG 131 97.263 12.279 10.689 932 HE ARG 131 HE ARG 131 94.591 11.775 9.746 933 HH11 ARG 131 1HH1 ARG 131 96.518 12.168 12.653 934 HH12 ARG 131 2HH1 ARG 131 95.158 12.661 13.607 935 HH21 ARG 131 1HH2 ARG 131 92.878 12.414 11.025 936 HH22 ARG 131 2HH2 ARG 131 93.124 12.797 12.696 937 H ILE 132 H ILE 132 96.587 12.527 6.369 938 HA ILE 132 HA ILE 132 98.215 13.651 4.252 939 HB ILE 132 HB ILE 132 96.153 12.493 3.701 940 HG12 ILE 132 1HG1 ILE 132 95.673 15.389 3.048 941 HG13 ILE 132 2HG1 ILE 132 97.098 14.562 2.422 942 HG21 ILE 132 1HG2 ILE 132 94.994 13.501 5.866 943 HG22 ILE 132 2HG2 ILE 132 94.048 13.075 4.442 944 HG23 ILE 132 3HG2 ILE 132 94.491 14.755 4.737 945 HD11 ILE 132 3HD1 ILE 132 95.543 12.757 1.555 946 HD12 ILE 132 1HD1 ILE 132 95.372 14.323 0.765 947 HD13 ILE 132 2HD1 ILE 132 94.198 13.815 1.980 948 H ARG 133 H ARG 133 99.350 15.216 5.268 949 HA ARG 133 HA ARG 133 98.042 17.795 5.644 950 HB2 ARG 133 1HB ARG 133 100.962 17.010 5.356 951 HB3 ARG 133 2HB ARG 133 100.386 18.651 5.662 952 HG2 ARG 133 1HG ARG 133 99.269 17.824 7.741 953 HG3 ARG 133 2HG ARG 133 99.991 16.239 7.457 954 HD2 ARG 133 1HD ARG 133 101.496 18.836 7.880 955 HD3 ARG 133 2HD ARG 133 101.365 17.513 9.034 956 HE ARG 133 HE ARG 133 102.403 16.433 6.682 957 HH11 ARG 133 1HH1 ARG 133 103.410 18.811 9.062 958 HH12 ARG 133 2HH1 ARG 133 105.095 18.510 8.795 959 HH21 ARG 133 1HH2 ARG 133 104.586 16.091 6.382 960 HH22 ARG 133 2HH2 ARG 133 105.751 16.990 7.296 961 H SER 134 H SER 134 99.403 19.513 4.041 962 HA SER 134 HA SER 134 98.074 19.291 1.613 963 HB2 SER 134 1HB SER 134 99.470 21.108 0.827 964 HB3 SER 134 2HB SER 134 99.087 21.371 2.525 965 HG SER 134 HG SER 134 101.491 20.636 1.295 966 H VAL 135 H VAL 135 101.023 17.649 2.518 967 HA VAL 135 HA VAL 135 101.044 16.492 -0.211 968 HB VAL 135 HB VAL 135 103.389 15.834 0.224 969 HG11 VAL 135 1HG1 VAL 135 102.727 18.043 -0.852 970 HG12 VAL 135 2HG1 VAL 135 104.338 18.006 -0.136 971 HG13 VAL 135 3HG1 VAL 135 103.014 18.797 0.716 972 HG21 VAL 135 3HG2 VAL 135 104.531 16.970 2.176 973 HG22 VAL 135 1HG2 VAL 135 103.401 15.696 2.636 974 HG23 VAL 135 2HG2 VAL 135 102.932 17.388 2.788 975 H ASP 136 H ASP 136 100.500 14.395 -0.349 976 HA ASP 136 HA ASP 136 100.296 12.819 2.154 977 HB2 ASP 136 1HB ASP 136 98.126 13.370 1.034 978 HB3 ASP 136 2HB ASP 136 98.680 12.482 -0.383 979 H VAL 137 H VAL 137 101.108 10.667 2.147 980 HA VAL 137 HA VAL 137 102.978 10.214 -0.128 981 HB VAL 137 HB VAL 137 103.289 9.107 2.657 982 HG11 VAL 137 1HG1 VAL 137 105.320 9.497 0.461 983 HG12 VAL 137 2HG1 VAL 137 104.415 7.999 0.677 984 HG13 VAL 137 3HG1 VAL 137 105.506 8.562 1.943 985 HG21 VAL 137 3HG2 VAL 137 104.935 10.870 3.056 986 HG22 VAL 137 1HG2 VAL 137 103.386 11.616 2.664 987 HG23 VAL 137 2HG2 VAL 137 104.657 11.531 1.444 988 H GLY 138 H GLY 138 102.792 8.441 -1.322 989 HA2 GLY 138 1HA GLY 138 101.473 6.062 -0.139 990 HA3 GLY 138 2HA GLY 138 101.253 6.516 -1.831 991 H THR 139 H THR 139 102.970 4.439 0.110 992 HA THR 139 HA THR 139 105.279 4.405 -1.755 993 HB THR 139 HB THR 139 105.388 3.793 1.204 994 HG1 THR 139 HG1 THR 139 106.388 5.784 1.365 995 HG21 THR 139 3HG2 THR 139 107.550 4.144 -0.892 996 HG22 THR 139 1HG2 THR 139 107.038 2.604 -0.202 997 HG23 THR 139 2HG2 THR 139 107.816 3.812 0.818 998 H TRP 140 H TRP 140 105.760 2.477 -2.636 999 HA TRP 140 HA TRP 140 104.542 0.052 -1.419 1000 HB2 TRP 140 1HB TRP 140 104.336 -0.884 -3.688 1001 HB3 TRP 140 2HB TRP 140 103.330 0.528 -3.445 1002 HD1 TRP 140 HD1 TRP 140 106.558 -0.582 -5.194 1003 HE1 TRP 140 HE1 TRP 140 107.010 1.025 -7.158 1004 HE3 TRP 140 HE3 TRP 140 102.863 2.849 -4.395 1005 HZ2 TRP 140 HZ2 TRP 140 105.943 3.447 -8.249 1006 HZ3 TRP 140 HZ3 TRP 140 102.601 4.791 -5.908 1007 HH2 TRP 140 HH2 TRP 140 104.134 5.096 -7.832 1008 H ILE 141 H ILE 141 105.872 -1.715 -1.216 1009 HA ILE 141 HA ILE 141 108.648 -1.401 -2.182 1010 HB ILE 141 HB ILE 141 109.518 -2.038 -0.018 1011 HG12 ILE 141 1HG1 ILE 141 106.652 -2.028 0.983 1012 HG13 ILE 141 2HG1 ILE 141 107.590 -3.486 0.661 1013 HG21 ILE 141 1HG2 ILE 141 107.650 0.071 0.916 1014 HG22 ILE 141 2HG2 ILE 141 108.456 0.426 -0.604 1015 HG23 ILE 141 3HG2 ILE 141 109.409 0.063 0.831 1016 HD11 ILE 141 3HD1 ILE 141 107.700 -2.925 3.048 1017 HD12 ILE 141 1HD1 ILE 141 108.309 -1.317 2.654 1018 HD13 ILE 141 2HD1 ILE 141 109.289 -2.741 2.306 1019 H ALA 142 H ALA 142 109.813 -3.283 -2.504 1020 HA ALA 142 HA ALA 142 108.426 -5.848 -2.073 1021 HB1 ALA 142 1HB ALA 142 109.696 -4.966 -4.680 1022 HB2 ALA 142 2HB ALA 142 107.983 -5.294 -4.407 1023 HB3 ALA 142 3HB ALA 142 109.158 -6.608 -4.331 1024 H GLY 143 H GLY 143 109.781 -7.381 -1.257 1025 HA2 GLY 143 1HA GLY 143 112.691 -6.923 -1.442 1026 HA3 GLY 143 2HA GLY 143 111.939 -7.038 0.144 1027 H VAL 144 H VAL 144 113.982 -8.729 -0.969 1028 HA VAL 144 HA VAL 144 112.573 -11.335 -0.991 1029 HB VAL 144 HB VAL 144 114.515 -12.212 -2.265 1030 HG11 VAL 144 1HG1 VAL 144 114.029 -10.689 -4.377 1031 HG12 VAL 144 2HG1 VAL 144 112.780 -10.011 -3.330 1032 HG13 VAL 144 3HG1 VAL 144 112.771 -11.732 -3.715 1033 HG21 VAL 144 3HG2 VAL 144 116.114 -10.627 -3.259 1034 HG22 VAL 144 1HG2 VAL 144 116.164 -10.521 -1.501 1035 HG23 VAL 144 2HG2 VAL 144 115.318 -9.287 -2.434 1036 H GLY 145 H GLY 145 113.408 -12.928 0.374 1037 HA2 GLY 145 1HA GLY 145 115.798 -12.369 1.942 1038 HA3 GLY 145 2HA GLY 145 114.284 -12.338 2.836 1039 H TYR 146 H TYR 146 115.934 -14.051 3.779 1040 HA TYR 146 HA TYR 146 114.818 -16.658 3.034 1041 HB2 TYR 146 1HB TYR 146 116.971 -17.735 3.101 1042 HB3 TYR 146 2HB TYR 146 117.012 -16.454 1.908 1043 HD1 TYR 146 HD1 TYR 146 118.249 -17.614 5.166 1044 HD2 TYR 146 HD2 TYR 146 118.366 -14.444 2.271 1045 HE1 TYR 146 HE1 TYR 146 120.249 -16.668 6.284 1046 HE2 TYR 146 HE2 TYR 146 120.367 -13.496 3.389 1047 HH TYR 146 HH TYR 146 121.635 -13.577 5.261 1048 H ARG 147 H ARG 147 115.407 -18.314 4.763 1049 HA ARG 147 HA ARG 147 115.314 -17.025 7.433 1050 HB2 ARG 147 1HB ARG 147 113.176 -18.088 6.723 1051 HB3 ARG 147 2HB ARG 147 114.023 -19.628 6.574 1052 HG2 ARG 147 1HG ARG 147 114.672 -19.465 8.975 1053 HG3 ARG 147 2HG ARG 147 113.719 -17.987 9.106 1054 HD2 ARG 147 1HD ARG 147 112.644 -20.702 8.295 1055 HD3 ARG 147 2HD ARG 147 112.441 -19.956 9.876 1056 HE ARG 147 HE ARG 147 111.515 -18.250 7.772 1057 HH11 ARG 147 1HH1 ARG 147 110.579 -21.024 9.709 1058 HH12 ARG 147 2HH1 ARG 147 108.887 -20.724 9.503 1059 HH21 ARG 147 1HH2 ARG 147 109.321 -17.914 7.541 1060 HH22 ARG 147 2HH2 ARG 147 108.184 -18.984 8.289 1061 H PHE 148 H PHE 148 116.471 -18.000 9.115 1062 HA PHE 148 HA PHE 148 118.637 -19.771 8.204 1063 HB2 PHE 148 1HB PHE 148 119.207 -17.640 9.349 1064 HB3 PHE 148 2HB PHE 148 118.364 -18.213 10.776 1065 HD1 PHE 148 HD1 PHE 148 121.306 -18.714 8.590 1066 HD2 PHE 148 HD2 PHE 148 119.367 -19.830 12.257 1067 HE1 PHE 148 HE1 PHE 148 123.385 -19.832 9.348 1068 HE2 PHE 148 HE2 PHE 148 121.447 -20.949 13.016 1069 HZ PHE 148 HZ PHE 148 123.456 -20.949 11.562 Start of MODEL 8 1 H1 ALA 1 3H ALA 1 116.022 -21.348 18.099 2 H2 ALA 1 2H ALA 1 115.739 -20.265 19.376 3 H3 ALA 1 HT3 ALA 1 116.959 -19.940 18.237 4 HA ALA 1 HA ALA 1 114.155 -20.226 17.378 5 HB1 ALA 1 2HB ALA 1 115.473 -17.902 18.756 6 HB2 ALA 1 3HB ALA 1 113.837 -18.530 18.953 7 HB3 ALA 1 1HB ALA 1 114.258 -17.605 17.513 8 H THR 2 H THR 2 113.877 -18.774 15.433 9 HA THR 2 HA THR 2 116.390 -18.600 13.868 10 HB THR 2 HB THR 2 115.145 -19.265 11.886 11 HG1 THR 2 HG1 THR 2 113.129 -18.496 12.356 12 HG21 THR 2 3HG2 THR 2 114.804 -21.104 14.266 13 HG22 THR 2 1HG2 THR 2 116.124 -21.099 13.097 14 HG23 THR 2 2HG2 THR 2 114.509 -21.606 12.601 15 H SER 3 H SER 3 116.181 -17.107 11.981 16 HA SER 3 HA SER 3 114.227 -14.969 12.247 17 HB2 SER 3 1HB SER 3 115.849 -13.209 12.590 18 HB3 SER 3 2HB SER 3 116.050 -14.397 13.871 19 HG SER 3 HG SER 3 118.064 -14.217 13.157 20 H THR 4 H THR 4 114.402 -13.412 10.447 21 HA THR 4 HA THR 4 115.859 -14.528 8.116 22 HB THR 4 HB THR 4 114.012 -13.921 6.680 23 HG1 THR 4 HG1 THR 4 112.899 -12.311 7.420 24 HG21 THR 4 3HG2 THR 4 112.610 -15.287 8.946 25 HG22 THR 4 1HG2 THR 4 114.003 -16.076 8.207 26 HG23 THR 4 2HG2 THR 4 112.596 -15.672 7.224 27 H VAL 5 H VAL 5 116.494 -13.039 6.529 28 HA VAL 5 HA VAL 5 116.513 -10.193 7.365 29 HB VAL 5 HB VAL 5 118.721 -11.667 5.899 30 HG11 VAL 5 1HG1 VAL 5 119.965 -9.599 6.130 31 HG12 VAL 5 2HG1 VAL 5 118.668 -8.874 7.079 32 HG13 VAL 5 3HG1 VAL 5 118.419 -9.224 5.369 33 HG21 VAL 5 3HG2 VAL 5 118.465 -12.272 8.335 34 HG22 VAL 5 1HG2 VAL 5 118.704 -10.568 8.726 35 HG23 VAL 5 2HG2 VAL 5 119.996 -11.486 7.952 36 H THR 6 H THR 6 115.642 -8.837 5.901 37 HA THR 6 HA THR 6 115.323 -9.803 3.116 38 HB THR 6 HB THR 6 113.248 -8.281 4.703 39 HG1 THR 6 HG1 THR 6 113.266 -10.317 5.498 40 HG21 THR 6 3HG2 THR 6 113.307 -7.955 2.209 41 HG22 THR 6 1HG2 THR 6 111.819 -8.697 2.798 42 HG23 THR 6 2HG2 THR 6 113.057 -9.690 2.030 43 H GLY 7 H GLY 7 115.608 -8.322 1.525 44 HA2 GLY 7 1HA GLY 7 115.901 -5.475 2.298 45 HA3 GLY 7 2HA GLY 7 117.057 -6.243 1.204 46 H GLY 8 H GLY 8 114.945 -4.033 0.838 47 HA2 GLY 8 1HA GLY 8 113.886 -5.087 -1.676 48 HA3 GLY 8 2HA GLY 8 112.694 -4.637 -0.465 49 H TYR 9 H TYR 9 112.399 -3.381 -2.683 50 HA TYR 9 HA TYR 9 113.695 -0.730 -2.401 51 HB2 TYR 9 1HB TYR 9 112.604 -2.049 -4.893 52 HB3 TYR 9 2HB TYR 9 113.269 -0.429 -4.808 53 HD1 TYR 9 HD1 TYR 9 115.715 -0.131 -4.254 54 HD2 TYR 9 HD2 TYR 9 113.985 -3.967 -5.115 55 HE1 TYR 9 HE1 TYR 9 117.976 -1.052 -4.685 56 HE2 TYR 9 HE2 TYR 9 116.244 -4.889 -5.548 57 HH TYR 9 HH TYR 9 118.494 -4.483 -5.188 58 H ALA 10 H ALA 10 112.402 1.011 -2.279 59 HA ALA 10 HA ALA 10 109.475 0.574 -2.324 60 HB1 ALA 10 1HB ALA 10 110.627 1.112 -0.089 61 HB2 ALA 10 2HB ALA 10 109.263 2.131 -0.549 62 HB3 ALA 10 3HB ALA 10 110.913 2.719 -0.761 63 H GLN 11 H GLN 11 108.261 1.938 -3.566 64 HA GLN 11 HA GLN 11 109.592 4.344 -4.687 65 HB2 GLN 11 1HB GLN 11 107.608 2.551 -6.115 66 HB3 GLN 11 2HB GLN 11 108.375 3.995 -6.773 67 HG2 GLN 11 1HG GLN 11 109.809 1.466 -5.908 68 HG3 GLN 11 2HG GLN 11 109.512 1.962 -7.572 69 HE21 GLN 11 1HE2 GLN 11 112.020 1.771 -5.553 70 HE22 GLN 11 2HE2 GLN 11 112.876 3.179 -5.959 71 H SER 12 H SER 12 108.482 6.198 -4.387 72 HA SER 12 HA SER 12 105.716 5.979 -3.330 73 HB2 SER 12 1HB SER 12 107.504 8.375 -2.988 74 HB3 SER 12 2HB SER 12 106.081 7.924 -2.061 75 HG SER 12 HG SER 12 108.664 6.774 -2.057 76 H ASP 13 H ASP 13 104.141 7.383 -4.113 77 HA ASP 13 HA ASP 13 104.461 7.804 -6.944 78 HB2 ASP 13 1HB ASP 13 102.064 8.371 -6.886 79 HB3 ASP 13 2HB ASP 13 102.396 6.857 -6.049 80 H ALA 14 H ALA 14 104.548 9.630 -8.066 81 HA ALA 14 HA ALA 14 104.908 12.141 -6.560 82 HB1 ALA 14 1HB ALA 14 106.123 12.783 -8.775 83 HB2 ALA 14 2HB ALA 14 106.179 11.041 -9.045 84 HB3 ALA 14 3HB ALA 14 106.943 11.737 -7.616 85 H GLN 15 H GLN 15 103.868 13.971 -7.172 86 HA GLN 15 HA GLN 15 101.628 13.701 -9.032 87 HB2 GLN 15 1HB GLN 15 102.494 15.979 -7.226 88 HB3 GLN 15 2HB GLN 15 101.039 15.981 -8.222 89 HG2 GLN 15 1HG GLN 15 100.176 14.030 -7.030 90 HG3 GLN 15 2HG GLN 15 101.654 13.933 -6.077 91 HE21 GLN 15 1HE2 GLN 15 99.082 14.262 -4.846 92 HE22 GLN 15 2HE2 GLN 15 99.037 15.797 -4.123 93 H GLY 16 H GLY 16 101.334 15.301 -10.773 94 HA2 GLY 16 1HA GLY 16 103.434 15.161 -12.554 95 HA3 GLY 16 2HA GLY 16 102.104 16.301 -12.701 96 H GLN 17 H GLN 17 104.942 16.572 -13.371 97 HA GLN 17 HA GLN 17 106.654 18.063 -13.268 98 HB2 GLN 17 1HB GLN 17 104.674 19.740 -11.708 99 HB3 GLN 17 2HB GLN 17 106.208 20.309 -12.355 100 HG2 GLN 17 1HG GLN 17 105.495 19.784 -14.627 101 HG3 GLN 17 2HG GLN 17 103.986 19.106 -14.025 102 HE21 GLN 17 1HE2 GLN 17 104.011 21.290 -15.879 103 HE22 GLN 17 2HE2 GLN 17 103.405 22.664 -15.089 104 H MET 18 H MET 18 106.576 15.959 -11.372 105 HA MET 18 HA MET 18 108.499 17.108 -9.495 106 HB2 MET 18 1HB MET 18 106.227 15.344 -8.543 107 HB3 MET 18 2HB MET 18 107.550 15.963 -7.564 108 HG2 MET 18 1HG MET 18 106.826 18.295 -8.150 109 HG3 MET 18 2HG MET 18 105.408 17.602 -8.940 110 HE1 MET 18 3HE MET 18 106.546 18.147 -4.671 111 HE2 MET 18 1HE MET 18 107.574 17.946 -6.095 112 HE3 MET 18 2HE MET 18 107.067 16.538 -5.164 113 H ASN 19 H ASN 19 109.595 15.247 -8.251 114 HA ASN 19 HA ASN 19 110.074 13.037 -10.159 115 HB2 ASN 19 1HB ASN 19 111.972 14.608 -9.566 116 HB3 ASN 19 2HB ASN 19 111.898 13.950 -7.931 117 HD21 ASN 19 1HD2 ASN 19 113.312 12.237 -7.610 118 HD22 ASN 19 2HD2 ASN 19 113.835 11.164 -8.818 119 H LYS 20 H LYS 20 109.878 10.947 -9.524 120 HA LYS 20 HA LYS 20 108.398 10.285 -7.196 121 HB2 LYS 20 1HB LYS 20 110.071 8.549 -9.030 122 HB3 LYS 20 2HB LYS 20 108.971 7.935 -7.795 123 HG2 LYS 20 1HG LYS 20 107.101 9.160 -8.899 124 HG3 LYS 20 2HG LYS 20 108.216 9.650 -10.179 125 HD2 LYS 20 1HD LYS 20 108.681 7.238 -10.637 126 HD3 LYS 20 2HD LYS 20 107.453 6.809 -9.445 127 HE2 LYS 20 1HE LYS 20 106.430 6.757 -11.645 128 HE3 LYS 20 2HE LYS 20 105.786 8.141 -10.762 129 HZ1 LYS 20 3HZ LYS 20 108.166 8.463 -12.463 130 HZ2 LYS 20 1HZ LYS 20 107.013 9.619 -12.002 131 HZ3 LYS 20 2HZ LYS 20 106.622 8.450 -13.170 132 H MET 21 H MET 21 109.195 8.720 -5.503 133 HA MET 21 HA MET 21 111.919 9.554 -4.629 134 HB2 MET 21 1HB MET 21 109.565 8.699 -2.930 135 HB3 MET 21 2HB MET 21 111.139 9.223 -2.338 136 HG2 MET 21 1HG MET 21 110.797 11.424 -3.444 137 HG3 MET 21 2HG MET 21 109.188 10.904 -3.937 138 HE1 MET 21 3HE MET 21 109.532 13.446 -2.594 139 HE2 MET 21 1HE MET 21 108.494 13.507 -1.162 140 HE3 MET 21 2HE MET 21 107.870 12.863 -2.679 141 H GLY 22 H GLY 22 113.335 7.993 -3.821 142 HA2 GLY 22 1HA GLY 22 112.484 5.174 -4.231 143 HA3 GLY 22 2HA GLY 22 114.092 5.770 -4.640 144 H GLY 23 H GLY 23 112.927 3.761 -2.585 145 HA2 GLY 23 1HA GLY 23 114.510 4.758 -0.295 146 HA3 GLY 23 2HA GLY 23 112.891 4.122 -0.045 147 H PHE 24 H PHE 24 115.660 3.251 0.819 148 HA PHE 24 HA PHE 24 115.555 0.461 -0.175 149 HB2 PHE 24 1HB PHE 24 117.731 1.653 -0.395 150 HB3 PHE 24 2HB PHE 24 117.754 1.874 1.345 151 HD1 PHE 24 HD1 PHE 24 118.192 -0.007 2.849 152 HD2 PHE 24 HD2 PHE 24 118.124 -0.525 -1.416 153 HE1 PHE 24 HE1 PHE 24 119.284 -2.219 3.100 154 HE2 PHE 24 HE2 PHE 24 119.215 -2.737 -1.164 155 HZ PHE 24 HZ PHE 24 119.795 -3.583 1.095 156 H ASN 25 H ASN 25 115.027 -1.169 1.251 157 HA ASN 25 HA ASN 25 114.588 -0.366 4.079 158 HB2 ASN 25 1HB ASN 25 112.601 -1.845 4.057 159 HB3 ASN 25 2HB ASN 25 112.446 -0.486 2.945 160 HD21 ASN 25 1HD2 ASN 25 113.128 -3.993 3.077 161 HD22 ASN 25 2HD2 ASN 25 112.745 -4.287 1.450 162 H LEU 26 H LEU 26 115.438 -1.637 5.566 163 HA LEU 26 HA LEU 26 116.230 -4.401 4.835 164 HB2 LEU 26 1HB LEU 26 118.177 -2.880 5.228 165 HB3 LEU 26 2HB LEU 26 117.578 -2.597 6.862 166 HG LEU 26 HG LEU 26 117.623 -5.132 7.172 167 HD11 LEU 26 1HD1 LEU 26 119.345 -6.226 5.613 168 HD12 LEU 26 2HD1 LEU 26 119.095 -4.843 4.547 169 HD13 LEU 26 3HD1 LEU 26 117.751 -5.920 4.927 170 HD21 LEU 26 3HD2 LEU 26 120.237 -3.685 6.640 171 HD22 LEU 26 1HD2 LEU 26 120.060 -5.146 7.612 172 HD23 LEU 26 2HD2 LEU 26 119.323 -3.634 8.147 173 H LYS 27 H LYS 27 115.523 -6.018 6.225 174 HA LYS 27 HA LYS 27 113.934 -5.125 8.563 175 HB2 LYS 27 1HB LYS 27 113.148 -7.171 6.478 176 HB3 LYS 27 2HB LYS 27 112.266 -6.861 7.973 177 HG2 LYS 27 1HG LYS 27 111.998 -4.482 7.276 178 HG3 LYS 27 2HG LYS 27 112.767 -4.875 5.740 179 HD2 LYS 27 1HD LYS 27 110.999 -6.592 5.338 180 HD3 LYS 27 2HD LYS 27 110.196 -6.065 6.820 181 HE2 LYS 27 1HE LYS 27 109.117 -4.897 5.031 182 HE3 LYS 27 2HE LYS 27 110.164 -3.721 5.824 183 HZ1 LYS 27 3HZ LYS 27 111.267 -5.286 3.611 184 HZ2 LYS 27 1HZ LYS 27 111.619 -3.699 4.093 185 HZ3 LYS 27 2HZ LYS 27 110.188 -4.030 3.239 186 H TYR 28 H TYR 28 113.877 -6.452 10.306 187 HA TYR 28 HA TYR 28 115.294 -9.044 10.148 188 HB2 TYR 28 1HB TYR 28 116.135 -8.732 12.375 189 HB3 TYR 28 2HB TYR 28 116.605 -7.349 11.408 190 HD1 TYR 28 HD1 TYR 28 114.510 -8.547 14.180 191 HD2 TYR 28 HD2 TYR 28 115.647 -5.136 11.832 192 HE1 TYR 28 HE1 TYR 28 113.496 -7.044 15.874 193 HE2 TYR 28 HE2 TYR 28 114.632 -3.633 13.523 194 HH TYR 28 HH TYR 28 113.266 -4.921 16.541 195 H ARG 29 H ARG 29 114.265 -10.763 11.171 196 HA ARG 29 HA ARG 29 111.630 -10.212 12.376 197 HB2 ARG 29 1HB ARG 29 112.089 -12.153 10.098 198 HB3 ARG 29 2HB ARG 29 110.561 -11.864 10.928 199 HG2 ARG 29 1HG ARG 29 110.646 -9.485 10.190 200 HG3 ARG 29 2HG ARG 29 112.118 -9.844 9.291 201 HD2 ARG 29 1HD ARG 29 110.283 -9.977 7.737 202 HD3 ARG 29 2HD ARG 29 110.834 -11.620 8.049 203 HE ARG 29 HE ARG 29 108.878 -11.345 9.875 204 HH11 ARG 29 1HH1 ARG 29 108.903 -10.601 6.444 205 HH12 ARG 29 2HH1 ARG 29 107.206 -10.892 6.269 206 HH21 ARG 29 1HH2 ARG 29 106.697 -11.705 9.585 207 HH22 ARG 29 2HH2 ARG 29 105.972 -11.510 8.025 208 H TYR 30 H TYR 30 110.971 -11.730 13.895 209 HA TYR 30 HA TYR 30 112.837 -13.985 14.385 210 HB2 TYR 30 1HB TYR 30 110.991 -12.540 16.292 211 HB3 TYR 30 2HB TYR 30 111.981 -13.930 16.702 212 HD1 TYR 30 HD2 TYR 30 114.406 -13.718 16.945 213 HD2 TYR 30 HD1 TYR 30 111.959 -10.333 15.941 214 HE1 TYR 30 HE2 TYR 30 116.287 -12.196 17.493 215 HE2 TYR 30 HE1 TYR 30 113.840 -8.811 16.490 216 HH TYR 30 HH TYR 30 116.967 -10.093 17.639 217 H GLU 31 H GLU 31 111.998 -16.051 14.588 218 HA GLU 31 HA GLU 31 109.230 -16.376 13.684 219 HB2 GLU 31 1HB GLU 31 111.085 -17.728 12.663 220 HB3 GLU 31 2HB GLU 31 111.289 -18.529 14.223 221 HG2 GLU 31 1HG GLU 31 108.896 -19.211 14.153 222 HG3 GLU 31 2HG GLU 31 108.758 -18.488 12.556 223 H GLU 32 H GLU 32 107.609 -16.969 14.959 224 HA GLU 32 HA GLU 32 108.201 -17.692 17.760 225 HB2 GLU 32 1HB GLU 32 106.233 -15.601 16.810 226 HB3 GLU 32 2HB GLU 32 106.411 -16.151 18.478 227 HG2 GLU 32 1HG GLU 32 108.609 -14.892 16.813 228 HG3 GLU 32 2HG GLU 32 107.682 -14.061 18.053 229 H ASP 33 H ASP 33 106.539 -18.757 18.876 230 HA ASP 33 HA ASP 33 105.233 -20.731 17.260 231 HB2 ASP 33 1HB ASP 33 105.148 -20.206 20.238 232 HB3 ASP 33 2HB ASP 33 104.457 -21.620 19.446 233 H ASN 34 H ASN 34 102.896 -21.334 18.210 234 HA ASN 34 HA ASN 34 101.101 -19.625 16.984 235 HB2 ASN 34 1HB ASN 34 100.732 -22.026 17.639 236 HB3 ASN 34 2HB ASN 34 100.429 -21.464 19.279 237 HD21 ASN 34 1HD2 ASN 34 98.383 -22.790 17.830 238 HD22 ASN 34 2HD2 ASN 34 97.157 -21.674 17.467 239 H SER 35 H SER 35 102.225 -19.527 20.361 240 HA SER 35 HA SER 35 99.985 -17.769 21.051 241 HB2 SER 35 1HB SER 35 102.044 -19.236 22.669 242 HB3 SER 35 2HB SER 35 101.012 -18.004 23.385 243 HG SER 35 HG SER 35 100.292 -20.434 22.122 244 HA PRO 36 HA PRO 36 103.198 -14.516 21.270 245 HB2 PRO 36 1HB PRO 36 105.874 -15.148 20.659 246 HB3 PRO 36 2HB PRO 36 105.180 -14.978 22.277 247 HG2 PRO 36 1HG PRO 36 106.176 -17.322 21.113 248 HG3 PRO 36 2HG PRO 36 105.265 -17.181 22.626 249 HD2 PRO 36 1HD PRO 36 104.301 -17.963 19.919 250 HD3 PRO 36 2HD PRO 36 103.725 -18.499 21.513 251 H LEU 37 H LEU 37 103.224 -13.041 19.660 252 HA LEU 37 HA LEU 37 103.100 -13.917 16.915 253 HB2 LEU 37 1HB LEU 37 103.111 -11.112 18.054 254 HB3 LEU 37 2HB LEU 37 102.661 -11.567 16.413 255 HG LEU 37 HG LEU 37 101.256 -12.540 18.917 256 HD11 LEU 37 1HD1 LEU 37 99.421 -11.047 18.168 257 HD12 LEU 37 2HD1 LEU 37 100.450 -10.456 16.863 258 HD13 LEU 37 3HD1 LEU 37 100.885 -10.137 18.541 259 HD21 LEU 37 3HD2 LEU 37 99.507 -13.134 17.098 260 HD22 LEU 37 1HD2 LEU 37 100.927 -14.172 17.229 261 HD23 LEU 37 2HD2 LEU 37 100.837 -12.956 15.955 262 H GLY 38 H GLY 38 104.402 -12.848 15.194 263 HA2 GLY 38 1HA GLY 38 107.216 -13.167 15.856 264 HA3 GLY 38 2HA GLY 38 106.536 -12.911 14.250 265 H VAL 39 H VAL 39 108.794 -11.526 15.792 266 HA VAL 39 HA VAL 39 107.661 -8.793 15.963 267 HB VAL 39 HB VAL 39 110.311 -9.834 17.005 268 HG11 VAL 39 1HG1 VAL 39 108.846 -7.236 17.559 269 HG12 VAL 39 2HG1 VAL 39 110.206 -7.394 16.446 270 HG13 VAL 39 3HG1 VAL 39 110.435 -7.701 18.167 271 HG21 VAL 39 3HG2 VAL 39 107.703 -9.239 18.441 272 HG22 VAL 39 1HG2 VAL 39 109.229 -9.635 19.233 273 HG23 VAL 39 2HG2 VAL 39 108.423 -10.833 18.221 274 H ILE 40 H ILE 40 108.094 -7.410 14.339 275 HA ILE 40 HA ILE 40 110.498 -7.930 12.679 276 HB ILE 40 HB ILE 40 109.218 -7.292 10.695 277 HG12 ILE 40 1HG1 ILE 40 106.756 -7.330 12.456 278 HG13 ILE 40 2HG1 ILE 40 107.566 -5.836 11.985 279 HG21 ILE 40 1HG2 ILE 40 107.550 -9.374 12.087 280 HG22 ILE 40 2HG2 ILE 40 109.251 -9.693 11.745 281 HG23 ILE 40 3HG2 ILE 40 108.134 -9.350 10.423 282 HD11 ILE 40 3HD1 ILE 40 106.578 -7.896 9.998 283 HD12 ILE 40 1HD1 ILE 40 107.170 -6.273 9.649 284 HD13 ILE 40 2HD1 ILE 40 105.638 -6.491 10.494 285 H GLY 41 H GLY 41 111.650 -6.184 12.043 286 HA2 GLY 41 1HA GLY 41 110.565 -3.493 12.572 287 HA3 GLY 41 2HA GLY 41 112.136 -3.933 13.241 288 H SER 42 H SER 42 111.384 -1.893 11.176 289 HA SER 42 HA SER 42 113.217 -2.812 9.052 290 HB2 SER 42 1HB SER 42 110.815 -3.112 8.340 291 HB3 SER 42 2HB SER 42 110.622 -1.369 8.490 292 HG SER 42 HG SER 42 111.334 -1.431 6.494 293 H PHE 43 H PHE 43 114.549 -1.288 8.260 294 HA PHE 43 HA PHE 43 114.212 1.497 9.221 295 HB2 PHE 43 1HB PHE 43 116.728 0.032 8.402 296 HB3 PHE 43 2HB PHE 43 116.646 1.715 8.891 297 HD1 PHE 43 HD1 PHE 43 116.513 -1.784 10.012 298 HD2 PHE 43 HD2 PHE 43 116.307 2.330 11.235 299 HE1 PHE 43 HE1 PHE 43 116.817 -2.471 12.374 300 HE2 PHE 43 HE2 PHE 43 116.613 1.642 13.597 301 HZ PHE 43 HZ PHE 43 116.867 -0.760 14.167 302 H THR 44 H THR 44 113.966 3.047 7.691 303 HA THR 44 HA THR 44 114.412 2.275 4.858 304 HB THR 44 HB THR 44 112.157 3.995 5.911 305 HG1 THR 44 HG1 THR 44 111.383 2.106 6.405 306 HG21 THR 44 3HG2 THR 44 112.984 4.408 3.568 307 HG22 THR 44 1HG2 THR 44 111.310 3.863 3.651 308 HG23 THR 44 2HG2 THR 44 112.583 2.733 3.190 309 H TYR 45 H TYR 45 115.504 3.656 3.642 310 HA TYR 45 HA TYR 45 115.905 6.433 4.607 311 HB2 TYR 45 1HB TYR 45 117.944 5.085 4.910 312 HB3 TYR 45 2HB TYR 45 117.895 4.626 3.218 313 HD1 TYR 45 HD1 TYR 45 118.504 7.391 5.596 314 HD2 TYR 45 HD2 TYR 45 118.647 6.133 1.491 315 HE1 TYR 45 HE1 TYR 45 119.867 9.383 5.032 316 HE2 TYR 45 HE2 TYR 45 120.009 8.128 0.926 317 HH TYR 45 HH TYR 45 121.151 9.864 1.750 318 H THR 46 H THR 46 115.494 8.013 3.067 319 HA THR 46 HA THR 46 114.645 6.995 0.409 320 HB THR 46 HB THR 46 113.661 9.519 1.731 321 HG1 THR 46 HG1 THR 46 112.613 6.885 1.809 322 HG21 THR 46 3HG2 THR 46 112.662 7.762 -0.524 323 HG22 THR 46 1HG2 THR 46 113.308 9.397 -0.665 324 HG23 THR 46 2HG2 THR 46 111.767 9.125 0.146 325 H GLU 47 H GLU 47 115.139 8.166 -1.433 326 HA GLU 47 HA GLU 47 116.997 10.437 -1.134 327 HB2 GLU 47 1HB GLU 47 118.273 8.321 -1.563 328 HB3 GLU 47 2HB GLU 47 117.397 8.159 -3.086 329 HG2 GLU 47 1HG GLU 47 118.230 10.406 -3.765 330 HG3 GLU 47 2HG GLU 47 119.167 10.483 -2.280 331 H LYS 48 H LYS 48 116.751 12.027 -2.629 332 HA LYS 48 HA LYS 48 114.901 11.567 -4.883 333 HB2 LYS 48 1HB LYS 48 114.883 13.976 -3.049 334 HB3 LYS 48 2HB LYS 48 113.871 13.756 -4.476 335 HG2 LYS 48 1HG LYS 48 112.982 11.643 -3.402 336 HG3 LYS 48 2HG LYS 48 113.832 12.119 -1.931 337 HD2 LYS 48 1HD LYS 48 111.772 13.831 -3.350 338 HD3 LYS 48 2HD LYS 48 111.441 12.836 -1.932 339 HE2 LYS 48 1HE LYS 48 113.492 14.152 -0.913 340 HE3 LYS 48 2HE LYS 48 113.076 15.341 -2.148 341 HZ1 LYS 48 3HZ LYS 48 111.886 15.863 -0.169 342 HZ2 LYS 48 1HZ LYS 48 111.306 14.275 -0.020 343 HZ3 LYS 48 2HZ LYS 48 110.767 15.259 -1.297 344 H SER 49 H SER 49 115.301 12.855 -6.721 345 HA SER 49 HA SER 49 117.625 14.652 -6.624 346 HB2 SER 49 1HB SER 49 118.390 12.365 -7.350 347 HB3 SER 49 2HB SER 49 117.316 12.512 -8.738 348 HG SER 49 HG SER 49 119.340 13.249 -9.331 349 H ARG 50 H ARG 50 117.238 16.493 -7.691 350 HA ARG 50 HA ARG 50 114.755 17.042 -8.906 351 HB2 ARG 50 1HB ARG 50 117.400 18.493 -9.171 352 HB3 ARG 50 2HB ARG 50 115.835 19.139 -9.671 353 HG2 ARG 50 1HG ARG 50 115.013 18.872 -7.334 354 HG3 ARG 50 2HG ARG 50 116.626 18.339 -6.856 355 HD2 ARG 50 1HD ARG 50 117.523 20.515 -7.761 356 HD3 ARG 50 2HD ARG 50 115.857 21.042 -7.984 357 HE ARG 50 HE ARG 50 116.167 20.153 -5.332 358 HH11 ARG 50 1HH1 ARG 50 117.243 22.807 -7.361 359 HH12 ARG 50 2HH1 ARG 50 117.410 23.893 -6.022 360 HH21 ARG 50 1HH2 ARG 50 116.402 21.598 -3.648 361 HH22 ARG 50 2HH2 ARG 50 116.941 23.216 -3.947 362 H THR 51 H THR 51 117.923 16.259 -10.285 363 HA THR 51 HA THR 51 116.573 15.538 -12.811 364 HB THR 51 HB THR 51 118.446 16.449 -14.087 365 HG1 THR 51 HG1 THR 51 120.174 16.418 -12.837 366 HG21 THR 51 3HG2 THR 51 118.001 18.818 -13.752 367 HG22 THR 51 1HG2 THR 51 117.401 18.507 -12.124 368 HG23 THR 51 2HG2 THR 51 116.504 17.915 -13.522 369 H ALA 52 H ALA 52 117.905 14.024 -14.134 370 HA ALA 52 HA ALA 52 119.038 11.974 -12.425 371 HB1 ALA 52 1HB ALA 52 117.770 11.050 -14.154 372 HB2 ALA 52 2HB ALA 52 119.415 10.883 -14.767 373 HB3 ALA 52 3HB ALA 52 118.387 12.191 -15.350 374 H SER 53 H SER 53 120.960 12.784 -11.614 375 HA SER 53 HA SER 53 123.247 12.544 -13.322 376 HB2 SER 53 1HB SER 53 122.505 14.840 -13.916 377 HB3 SER 53 2HB SER 53 122.633 15.296 -12.220 378 HG SER 53 HG SER 53 124.535 15.245 -14.054 379 H SER 54 H SER 54 125.066 12.125 -12.152 380 HA SER 54 HA SER 54 124.867 11.430 -9.437 381 HB2 SER 54 1HB SER 54 127.375 12.085 -11.001 382 HB3 SER 54 2HB SER 54 127.286 11.158 -9.506 383 HG SER 54 HG SER 54 127.204 10.145 -11.823 384 H GLY 55 H GLY 55 125.905 14.425 -10.989 385 HA2 GLY 55 1HA GLY 55 127.075 15.591 -8.663 386 HA3 GLY 55 2HA GLY 55 126.625 16.439 -10.135 387 H ASP 56 H ASP 56 123.788 15.477 -9.902 388 HA ASP 56 HA ASP 56 122.871 17.684 -8.275 389 HB2 ASP 56 1HB ASP 56 121.828 17.122 -10.457 390 HB3 ASP 56 2HB ASP 56 121.269 15.598 -9.771 391 H TYR 57 H TYR 57 122.647 17.497 -6.151 392 HA TYR 57 HA TYR 57 121.602 14.955 -5.037 393 HB2 TYR 57 1HB TYR 57 123.443 16.962 -3.730 394 HB3 TYR 57 2HB TYR 57 122.796 15.523 -2.967 395 HD1 TYR 57 HD1 TYR 57 125.212 16.845 -5.400 396 HD2 TYR 57 HD2 TYR 57 123.648 13.301 -3.542 397 HE1 TYR 57 HE1 TYR 57 127.156 15.550 -6.233 398 HE2 TYR 57 HE2 TYR 57 125.592 12.007 -4.376 399 HH TYR 57 HH TYR 57 128.363 13.276 -5.354 400 H ASN 58 H ASN 58 119.874 15.079 -3.673 401 HA ASN 58 HA ASN 58 118.649 17.739 -3.329 402 HB2 ASN 58 1HB ASN 58 117.416 15.749 -4.416 403 HB3 ASN 58 2HB ASN 58 117.296 15.108 -2.778 404 HD21 ASN 58 1HD2 ASN 58 115.228 15.587 -2.012 405 HD22 ASN 58 2HD2 ASN 58 114.451 17.083 -2.197 406 H LYS 59 H LYS 59 118.482 18.652 -1.392 407 HA LYS 59 HA LYS 59 119.982 17.751 0.794 408 HB2 LYS 59 1HB LYS 59 117.735 19.771 0.680 409 HB3 LYS 59 2HB LYS 59 118.829 19.562 2.048 410 HG2 LYS 59 1HG LYS 59 120.757 20.010 0.531 411 HG3 LYS 59 2HG LYS 59 119.618 20.327 -0.778 412 HD2 LYS 59 1HD LYS 59 118.578 22.120 0.619 413 HD3 LYS 59 2HD LYS 59 119.833 21.856 1.831 414 HE2 LYS 59 1HE LYS 59 120.454 23.727 0.369 415 HE3 LYS 59 2HE LYS 59 121.565 22.378 0.137 416 HZ1 LYS 59 3HZ LYS 59 120.550 23.539 -1.910 417 HZ2 LYS 59 1HZ LYS 59 119.167 22.623 -1.555 418 HZ3 LYS 59 2HZ LYS 59 120.640 21.842 -1.885 419 H ASN 60 H ASN 60 116.591 17.239 -0.002 420 HA ASN 60 HA ASN 60 115.639 16.637 2.576 421 HB2 ASN 60 1HB ASN 60 114.699 15.681 -0.134 422 HB3 ASN 60 2HB ASN 60 113.809 15.440 1.367 423 HD21 ASN 60 1HD2 ASN 60 113.322 17.555 2.618 424 HD22 ASN 60 2HD2 ASN 60 112.971 18.934 1.691 425 H GLN 61 H GLN 61 116.588 15.166 3.853 426 HA GLN 61 HA GLN 61 116.983 12.431 2.762 427 HB2 GLN 61 1HB GLN 61 119.039 13.572 3.622 428 HB3 GLN 61 2HB GLN 61 118.267 13.684 5.203 429 HG2 GLN 61 1HG GLN 61 117.995 11.190 5.179 430 HG3 GLN 61 2HG GLN 61 118.944 11.150 3.692 431 HE21 GLN 61 1HE2 GLN 61 121.163 10.904 3.998 432 HE22 GLN 61 2HE2 GLN 61 121.992 11.283 5.429 433 H TYR 62 H TYR 62 115.780 10.789 3.695 434 HA TYR 62 HA TYR 62 114.188 11.506 6.099 435 HB2 TYR 62 1HB TYR 62 113.311 9.794 3.774 436 HB3 TYR 62 2HB TYR 62 112.367 10.161 5.204 437 HD1 TYR 62 HD1 TYR 62 113.678 11.452 2.021 438 HD2 TYR 62 HD2 TYR 62 111.357 12.365 5.520 439 HE1 TYR 62 HE1 TYR 62 112.787 13.479 0.903 440 HE2 TYR 62 HE2 TYR 62 110.467 14.390 4.401 441 HH TYR 62 HH TYR 62 110.140 15.052 1.791 442 H TYR 63 H TYR 63 114.103 10.064 7.711 443 HA TYR 63 HA TYR 63 115.073 7.321 7.241 444 HB2 TYR 63 1HB TYR 63 116.940 8.685 8.148 445 HB3 TYR 63 2HB TYR 63 115.944 9.090 9.532 446 HD1 TYR 63 HD1 TYR 63 117.740 6.358 7.791 447 HD2 TYR 63 HD2 TYR 63 115.638 7.544 11.345 448 HE1 TYR 63 HE1 TYR 63 118.543 4.316 8.948 449 HE2 TYR 63 HE2 TYR 63 116.440 5.502 12.500 450 HH TYR 63 HH TYR 63 117.622 3.638 12.329 451 H GLY 64 H GLY 64 113.741 5.837 8.166 452 HA2 GLY 64 1HA GLY 64 112.007 6.710 10.397 453 HA3 GLY 64 2HA GLY 64 111.291 5.967 8.975 454 H ILE 65 H ILE 65 111.336 5.114 11.805 455 HA ILE 65 HA ILE 65 112.411 2.385 11.361 456 HB ILE 65 HB ILE 65 112.286 3.849 14.014 457 HG12 ILE 65 1HG1 ILE 65 114.713 3.062 12.373 458 HG13 ILE 65 2HG1 ILE 65 114.052 4.697 12.433 459 HG21 ILE 65 1HG2 ILE 65 113.582 1.205 13.295 460 HG22 ILE 65 2HG2 ILE 65 111.989 1.343 14.042 461 HG23 ILE 65 3HG2 ILE 65 113.420 1.907 14.904 462 HD11 ILE 65 3HD1 ILE 65 115.911 4.437 14.039 463 HD12 ILE 65 1HD1 ILE 65 115.046 3.117 14.824 464 HD13 ILE 65 2HD1 ILE 65 114.391 4.753 14.874 465 H THR 66 H THR 66 110.825 0.901 11.349 466 HA THR 66 HA THR 66 108.337 1.482 12.857 467 HB THR 66 HB THR 66 107.996 1.726 10.429 468 HG1 THR 66 HG1 THR 66 106.153 0.632 10.500 469 HG21 THR 66 3HG2 THR 66 108.104 -0.328 9.012 470 HG22 THR 66 1HG2 THR 66 108.882 -1.171 10.354 471 HG23 THR 66 2HG2 THR 66 109.688 0.198 9.586 472 H ALA 67 H ALA 67 107.200 -0.323 13.693 473 HA ALA 67 HA ALA 67 108.535 -2.930 13.624 474 HB1 ALA 67 1HB ALA 67 108.860 -3.131 15.910 475 HB2 ALA 67 2HB ALA 67 107.619 -1.937 16.295 476 HB3 ALA 67 3HB ALA 67 109.194 -1.413 15.697 477 H GLY 68 H GLY 68 107.071 -4.692 14.194 478 HA2 GLY 68 1HA GLY 68 104.327 -4.119 14.850 479 HA3 GLY 68 2HA GLY 68 104.541 -4.458 13.141 480 HA PRO 69 HA PRO 69 104.434 -8.601 15.176 481 HB2 PRO 69 1HB PRO 69 101.814 -9.170 15.525 482 HB3 PRO 69 2HB PRO 69 102.749 -8.268 16.733 483 HG2 PRO 69 1HG PRO 69 100.665 -7.330 14.912 484 HG3 PRO 69 2HG PRO 69 101.258 -6.616 16.419 485 HD2 PRO 69 1HD PRO 69 101.959 -5.893 13.705 486 HD3 PRO 69 2HD PRO 69 102.478 -5.122 15.219 487 H ALA 70 H ALA 70 104.815 -10.033 13.626 488 HA ALA 70 HA ALA 70 103.340 -10.174 11.143 489 HB1 ALA 70 1HB ALA 70 104.923 -11.761 10.467 490 HB2 ALA 70 2HB ALA 70 105.275 -12.254 12.123 491 HB3 ALA 70 3HB ALA 70 105.850 -10.699 11.526 492 H TYR 71 H TYR 71 101.876 -11.749 10.537 493 HA TYR 71 HA TYR 71 100.968 -13.610 12.647 494 HB2 TYR 71 1HB TYR 71 99.461 -12.467 10.295 495 HB3 TYR 71 2HB TYR 71 98.820 -13.643 11.425 496 HD1 TYR 71 HD1 TYR 71 99.763 -10.125 10.908 497 HD2 TYR 71 HD2 TYR 71 98.207 -12.994 13.704 498 HE1 TYR 71 HE1 TYR 71 99.004 -8.282 12.379 499 HE2 TYR 71 HE2 TYR 71 97.448 -11.147 15.174 500 HH TYR 71 HH TYR 71 96.805 -8.476 14.584 501 H ARG 72 H ARG 72 100.033 -15.692 11.670 502 HA ARG 72 HA ARG 72 102.426 -16.692 10.307 503 HB2 ARG 72 1HB ARG 72 100.347 -18.081 12.005 504 HB3 ARG 72 2HB ARG 72 101.745 -18.876 11.281 505 HG2 ARG 72 1HG ARG 72 103.231 -17.271 12.487 506 HG3 ARG 72 2HG ARG 72 101.809 -16.601 13.284 507 HD2 ARG 72 1HD ARG 72 102.778 -19.467 13.473 508 HD3 ARG 72 2HD ARG 72 102.875 -18.253 14.743 509 HE ARG 72 HE ARG 72 100.602 -19.844 14.097 510 HH11 ARG 72 1HH1 ARG 72 101.463 -16.625 15.200 511 HH12 ARG 72 2HH1 ARG 72 99.925 -16.365 15.951 512 HH21 ARG 72 1HH2 ARG 72 98.644 -19.452 15.081 513 HH22 ARG 72 2HH2 ARG 72 98.350 -17.947 15.887 514 H ILE 73 H ILE 73 102.441 -17.861 8.535 515 HA ILE 73 HA ILE 73 100.281 -17.487 6.703 516 HB ILE 73 HB ILE 73 102.656 -17.294 6.074 517 HG12 ILE 73 1HG1 ILE 73 101.401 -19.624 4.606 518 HG13 ILE 73 2HG1 ILE 73 100.830 -17.967 4.432 519 HG21 ILE 73 1HG2 ILE 73 102.914 -20.280 6.113 520 HG22 ILE 73 2HG2 ILE 73 103.223 -19.372 7.592 521 HG23 ILE 73 3HG2 ILE 73 104.175 -19.048 6.144 522 HD11 ILE 73 3HD1 ILE 73 102.739 -17.272 3.327 523 HD12 ILE 73 1HD1 ILE 73 102.667 -18.947 2.786 524 HD13 ILE 73 2HD1 ILE 73 103.758 -18.491 4.093 525 H ASN 74 H ASN 74 98.677 -18.818 6.201 526 HA ASN 74 HA ASN 74 98.784 -21.636 7.006 527 HB2 ASN 74 1HB ASN 74 96.724 -20.124 7.318 528 HB3 ASN 74 2HB ASN 74 96.510 -20.268 5.573 529 HD21 ASN 74 1HD2 ASN 74 95.120 -21.942 5.024 530 HD22 ASN 74 2HD2 ASN 74 94.928 -23.381 5.904 531 H ASP 75 H ASP 75 98.429 -19.610 4.117 532 HA ASP 75 HA ASP 75 99.942 -21.349 2.467 533 HB2 ASP 75 1HB ASP 75 97.850 -22.706 2.658 534 HB3 ASP 75 2HB ASP 75 96.963 -21.366 1.930 535 H TRP 76 H TRP 76 100.977 -19.505 1.746 536 HA TRP 76 HA TRP 76 101.303 -17.490 0.668 537 HB2 TRP 76 1HB TRP 76 100.161 -19.079 -1.070 538 HB3 TRP 76 2HB TRP 76 98.788 -18.010 -0.867 539 HD1 TRP 76 HD1 TRP 76 99.093 -15.465 -1.679 540 HE1 TRP 76 HE1 TRP 76 100.666 -14.439 -3.442 541 HE3 TRP 76 HE3 TRP 76 102.494 -19.247 -2.129 542 HZ2 TRP 76 HZ2 TRP 76 103.056 -15.133 -4.862 543 HZ3 TRP 76 HZ3 TRP 76 104.402 -19.042 -3.693 544 HH2 TRP 76 HH2 TRP 76 104.689 -16.994 -5.060 545 H ALA 77 H ALA 77 99.525 -17.509 3.076 546 HA ALA 77 HA ALA 77 97.853 -15.142 2.484 547 HB1 ALA 77 1HB ALA 77 96.647 -17.335 2.987 548 HB2 ALA 77 2HB ALA 77 96.186 -15.932 3.951 549 HB3 ALA 77 3HB ALA 77 97.250 -17.159 4.635 550 H SER 78 H SER 78 100.709 -15.226 3.570 551 HA SER 78 HA SER 78 100.540 -14.937 6.431 552 HB2 SER 78 1HB SER 78 102.596 -15.563 4.904 553 HB3 SER 78 2HB SER 78 102.776 -13.820 4.775 554 HG SER 78 HG SER 78 102.745 -15.417 7.124 555 H ILE 79 H ILE 79 100.888 -12.871 7.599 556 HA ILE 79 HA ILE 79 100.533 -10.452 6.042 557 HB ILE 79 HB ILE 79 98.233 -11.322 6.122 558 HG12 ILE 79 1HG1 ILE 79 98.456 -8.954 7.986 559 HG13 ILE 79 2HG1 ILE 79 98.832 -8.833 6.267 560 HG21 ILE 79 1HG2 ILE 79 98.543 -12.527 8.324 561 HG22 ILE 79 2HG2 ILE 79 97.049 -11.599 8.194 562 HG23 ILE 79 3HG2 ILE 79 98.407 -10.960 9.120 563 HD11 ILE 79 3HD1 ILE 79 96.568 -8.253 6.300 564 HD12 ILE 79 1HD1 ILE 79 96.193 -9.402 7.586 565 HD13 ILE 79 2HD1 ILE 79 96.497 -9.980 5.948 566 H TYR 80 H TYR 80 101.430 -8.778 7.019 567 HA TYR 80 HA TYR 80 101.548 -8.733 9.965 568 HB2 TYR 80 1HB TYR 80 103.865 -8.093 9.969 569 HB3 TYR 80 2HB TYR 80 103.691 -9.628 9.143 570 HD1 TYR 80 HD1 TYR 80 104.072 -9.813 6.733 571 HD2 TYR 80 HD2 TYR 80 104.511 -6.065 8.785 572 HE1 TYR 80 HE1 TYR 80 105.291 -8.887 4.782 573 HE2 TYR 80 HE2 TYR 80 105.729 -5.139 6.834 574 HH TYR 80 HH TYR 80 107.213 -6.518 4.777 575 H GLY 81 H GLY 81 101.642 -6.683 10.878 576 HA2 GLY 81 1HA GLY 81 101.287 -4.402 9.002 577 HA3 GLY 81 2HA GLY 81 100.241 -4.613 10.406 578 H VAL 82 H VAL 82 102.344 -2.513 9.580 579 HA VAL 82 HA VAL 82 103.840 -2.540 12.128 580 HB VAL 82 HB VAL 82 105.881 -1.829 10.933 581 HG11 VAL 82 1HG1 VAL 82 105.747 -4.161 11.449 582 HG12 VAL 82 2HG1 VAL 82 106.297 -4.059 9.779 583 HG13 VAL 82 3HG1 VAL 82 104.616 -4.457 10.129 584 HG21 VAL 82 3HG2 VAL 82 104.749 -0.876 8.937 585 HG22 VAL 82 1HG2 VAL 82 104.281 -2.502 8.444 586 HG23 VAL 82 2HG2 VAL 82 105.985 -2.050 8.485 587 H VAL 83 H VAL 83 104.459 -0.526 12.910 588 HA VAL 83 HA VAL 83 103.627 1.852 11.382 589 HB VAL 83 HB VAL 83 102.779 2.880 13.475 590 HG11 VAL 83 1HG1 VAL 83 101.203 1.795 11.934 591 HG12 VAL 83 2HG1 VAL 83 100.688 1.550 13.603 592 HG13 VAL 83 3HG1 VAL 83 101.482 0.243 12.723 593 HG21 VAL 83 3HG2 VAL 83 104.024 1.590 15.118 594 HG22 VAL 83 1HG2 VAL 83 103.261 0.094 14.576 595 HG23 VAL 83 2HG2 VAL 83 102.302 1.327 15.394 596 H GLY 84 H GLY 84 105.031 3.617 11.635 597 HA2 GLY 84 1HA GLY 84 107.256 3.332 13.520 598 HA3 GLY 84 2HA GLY 84 107.652 3.343 11.803 599 H VAL 85 H VAL 85 108.809 5.256 13.156 600 HA VAL 85 HA VAL 85 107.203 7.695 12.604 601 HB VAL 85 HB VAL 85 107.730 7.449 15.000 602 HG11 VAL 85 1HG1 VAL 85 109.826 6.088 14.603 603 HG12 VAL 85 2HG1 VAL 85 109.994 7.366 15.807 604 HG13 VAL 85 3HG1 VAL 85 110.642 7.593 14.184 605 HG21 VAL 85 3HG2 VAL 85 109.364 9.594 13.610 606 HG22 VAL 85 1HG2 VAL 85 108.862 9.627 15.300 607 HG23 VAL 85 2HG2 VAL 85 107.652 9.705 14.019 608 H GLY 86 H GLY 86 107.964 8.955 11.022 609 HA2 GLY 86 1HA GLY 86 110.756 8.497 10.090 610 HA3 GLY 86 2HA GLY 86 109.412 8.888 9.019 611 H TYR 87 H TYR 87 112.030 10.299 9.673 612 HA TYR 87 HA TYR 87 110.803 12.949 10.099 613 HB2 TYR 87 1HB TYR 87 112.572 13.643 11.543 614 HB3 TYR 87 2HB TYR 87 111.885 12.167 12.192 615 HD1 TYR 87 HD1 TYR 87 114.824 13.715 10.618 616 HD2 TYR 87 HD2 TYR 87 113.171 10.083 12.210 617 HE1 TYR 87 HE1 TYR 87 117.090 12.708 10.670 618 HE2 TYR 87 HE2 TYR 87 115.437 9.075 12.260 619 HH TYR 87 HH TYR 87 117.576 9.338 11.727 620 H GLY 88 H GLY 88 111.685 14.616 8.967 621 HA2 GLY 88 1HA GLY 88 113.605 13.881 6.851 622 HA3 GLY 88 2HA GLY 88 112.493 15.247 6.795 623 H LYS 89 H LYS 89 115.432 15.160 6.447 624 HA LYS 89 HA LYS 89 116.093 17.227 8.451 625 HB2 LYS 89 1HB LYS 89 117.174 15.063 9.063 626 HB3 LYS 89 2HB LYS 89 117.992 15.070 7.501 627 HG2 LYS 89 1HG LYS 89 119.113 17.166 8.050 628 HG3 LYS 89 2HG LYS 89 118.227 17.275 9.569 629 HD2 LYS 89 1HD LYS 89 120.415 16.397 10.072 630 HD3 LYS 89 2HD LYS 89 119.262 15.074 10.239 631 HE2 LYS 89 1HE LYS 89 121.306 14.395 8.991 632 HE3 LYS 89 2HE LYS 89 119.846 14.239 8.017 633 HZ1 LYS 89 3HZ LYS 89 121.899 15.389 7.015 634 HZ2 LYS 89 1HZ LYS 89 121.427 16.724 7.947 635 HZ3 LYS 89 2HZ LYS 89 120.371 16.093 6.774 636 H PHE 90 H PHE 90 117.104 18.987 7.660 637 HA PHE 90 HA PHE 90 117.872 18.981 4.800 638 HB2 PHE 90 1HB PHE 90 117.029 21.251 6.607 639 HB3 PHE 90 2HB PHE 90 117.602 21.451 4.962 640 HD1 PHE 90 HD1 PHE 90 114.829 20.323 7.096 641 HD2 PHE 90 HD2 PHE 90 116.210 20.817 3.059 642 HE1 PHE 90 HE1 PHE 90 112.512 20.009 6.265 643 HE2 PHE 90 HE2 PHE 90 113.895 20.501 2.228 644 HZ PHE 90 HZ PHE 90 112.045 20.098 3.831 645 H GLN 91 H GLN 91 119.907 19.685 4.225 646 HA GLN 91 HA GLN 91 121.708 20.565 6.397 647 HB2 GLN 91 1HB GLN 91 123.474 19.116 5.531 648 HB3 GLN 91 2HB GLN 91 122.070 18.162 6.002 649 HG2 GLN 91 1HG GLN 91 121.331 18.099 3.641 650 HG3 GLN 91 2HG GLN 91 122.759 19.022 3.176 651 HE21 GLN 91 1HE2 GLN 91 124.766 17.894 3.005 652 HE22 GLN 91 2HE2 GLN 91 124.910 16.222 3.260 653 H THR 92 H THR 92 123.029 22.196 5.908 654 HA THR 92 HA THR 92 123.043 23.187 3.122 655 HB THR 92 HB THR 92 122.107 24.767 4.737 656 HG1 THR 92 HG1 THR 92 124.733 25.588 4.095 657 HG21 THR 92 3HG2 THR 92 124.775 24.445 6.139 658 HG22 THR 92 1HG2 THR 92 123.199 23.959 6.765 659 HG23 THR 92 2HG2 THR 92 123.568 25.668 6.542 660 H THR 93 H THR 93 125.052 24.121 2.333 661 HA THR 93 HA THR 93 127.456 22.890 3.568 662 HB THR 93 HB THR 93 127.002 23.506 0.640 663 HG1 THR 93 HG1 THR 93 125.693 21.803 1.337 664 HG21 THR 93 3HG2 THR 93 129.324 23.529 1.030 665 HG22 THR 93 1HG2 THR 93 129.008 21.865 0.535 666 HG23 THR 93 2HG2 THR 93 129.223 22.252 2.244 667 H GLU 94 H GLU 94 128.973 24.249 4.224 668 HA GLU 94 HA GLU 94 130.028 26.232 4.720 669 HB2 GLU 94 1HB GLU 94 129.778 26.459 1.718 670 HB3 GLU 94 2HB GLU 94 130.861 27.429 2.717 671 HG2 GLU 94 1HG GLU 94 131.921 25.338 3.547 672 HG3 GLU 94 2HG GLU 94 130.890 24.408 2.468 673 H TYR 95 H TYR 95 126.972 26.366 4.593 674 HA TYR 95 HA TYR 95 126.838 29.303 4.568 675 HB2 TYR 95 1HB TYR 95 125.944 28.088 2.416 676 HB3 TYR 95 2HB TYR 95 124.554 27.746 3.427 677 HD1 TYR 95 HD1 TYR 95 126.689 30.516 2.130 678 HD2 TYR 95 HD2 TYR 95 122.885 29.385 3.776 679 HE1 TYR 95 HE1 TYR 95 125.806 32.785 1.652 680 HE2 TYR 95 HE2 TYR 95 122.004 31.652 3.297 681 HH TYR 95 HH TYR 95 124.087 34.174 1.879 682 HA PRO 96 HA PRO 96 124.575 27.595 8.198 683 HB2 PRO 96 1HB PRO 96 126.042 28.636 10.206 684 HB3 PRO 96 2HB PRO 96 126.545 27.162 9.355 685 HG2 PRO 96 1HG PRO 96 127.600 29.912 9.146 686 HG3 PRO 96 2HG PRO 96 128.431 28.360 8.953 687 HD2 PRO 96 1HD PRO 96 127.501 30.031 6.867 688 HD3 PRO 96 2HD PRO 96 128.089 28.362 6.705 689 H THR 97 H THR 97 122.788 28.932 7.759 690 HA THR 97 HA THR 97 122.825 31.552 9.105 691 HB THR 97 HB THR 97 123.191 31.955 6.706 692 HG1 THR 97 HG1 THR 97 121.958 33.423 7.912 693 HG21 THR 97 3HG2 THR 97 121.349 31.420 5.115 694 HG22 THR 97 1HG2 THR 97 120.552 30.499 6.391 695 HG23 THR 97 2HG2 THR 97 122.117 29.975 5.773 696 H TYR 98 H TYR 98 120.732 32.367 9.653 697 HA TYR 98 HA TYR 98 118.744 32.137 10.735 698 HB2 TYR 98 1HB TYR 98 118.208 30.447 8.295 699 HB3 TYR 98 2HB TYR 98 116.973 31.009 9.404 700 HD1 TYR 98 HD1 TYR 98 116.558 33.487 9.637 701 HD2 TYR 98 HD2 TYR 98 119.108 31.845 6.595 702 HE1 TYR 98 HE1 TYR 98 116.401 35.606 8.362 703 HE2 TYR 98 HE2 TYR 98 118.949 33.965 5.320 704 HH TYR 98 HH TYR 98 118.420 36.249 5.610 705 H LYS 99 H LYS 99 118.392 28.831 9.478 706 HA LYS 99 HA LYS 99 118.540 27.890 12.283 707 HB2 LYS 99 1HB LYS 99 116.956 26.829 9.932 708 HB3 LYS 99 2HB LYS 99 117.039 26.058 11.518 709 HG2 LYS 99 1HG LYS 99 116.054 28.005 12.579 710 HG3 LYS 99 2HG LYS 99 116.104 28.905 11.064 711 HD2 LYS 99 1HD LYS 99 113.852 28.092 11.336 712 HD3 LYS 99 2HD LYS 99 114.606 27.132 10.064 713 HE2 LYS 99 1HE LYS 99 113.355 25.715 11.671 714 HE3 LYS 99 2HE LYS 99 115.076 25.333 11.660 715 HZ1 LYS 99 3HZ LYS 99 115.322 26.035 13.749 716 HZ2 LYS 99 1HZ LYS 99 113.635 25.897 13.865 717 HZ3 LYS 99 2HZ LYS 99 114.342 27.403 13.522 718 H HIS 100 H HIS 100 119.939 26.322 12.806 719 HA HIS 100 HA HIS 100 122.002 25.512 11.063 720 HB2 HIS 100 1HB HIS 100 122.157 25.506 13.537 721 HB3 HIS 100 2HB HIS 100 121.035 24.159 13.586 722 HD1 HIS 100 HD1 HIS 100 124.401 24.952 11.961 723 HD2 HIS 100 HD2 HIS 100 122.351 21.744 13.660 724 HE1 HIS 100 HE1 HIS 100 126.005 22.993 11.952 725 H ASP 101 H ASP 101 119.037 23.873 12.125 726 HA ASP 101 HA ASP 101 119.060 22.251 9.706 727 HB2 ASP 101 1HB ASP 101 120.417 20.968 11.371 728 HB3 ASP 101 2HB ASP 101 119.008 20.931 12.429 729 H THR 102 H THR 102 117.030 21.331 9.226 730 HA THR 102 HA THR 102 114.795 22.150 10.992 731 HB THR 102 HB THR 102 114.775 22.158 7.964 732 HG1 THR 102 HG1 THR 102 115.483 24.110 8.123 733 HG21 THR 102 3HG2 THR 102 112.594 23.144 8.185 734 HG22 THR 102 1HG2 THR 102 112.779 23.301 9.931 735 HG23 THR 102 2HG2 THR 102 112.613 21.703 9.202 736 H SER 103 H SER 103 113.256 20.609 11.363 737 HA SER 103 HA SER 103 113.208 18.214 9.689 738 HB2 SER 103 1HB SER 103 113.547 16.684 11.526 739 HB3 SER 103 2HB SER 103 114.908 17.798 11.469 740 HG SER 103 HG SER 103 113.476 19.065 13.007 741 H ASP 104 H ASP 104 111.381 16.892 9.983 742 HA ASP 104 HA ASP 104 109.288 17.777 11.830 743 HB2 ASP 104 1HB ASP 104 108.903 18.971 9.657 744 HB3 ASP 104 2HB ASP 104 108.763 17.398 8.870 745 H TYR 105 H TYR 105 107.900 16.093 12.429 746 HA TYR 105 HA TYR 105 108.820 13.408 11.598 747 HB2 TYR 105 1HB TYR 105 107.337 14.231 14.096 748 HB3 TYR 105 2HB TYR 105 107.960 12.633 13.735 749 HD1 TYR 105 HD1 TYR 105 110.430 12.240 13.680 750 HD2 TYR 105 HD2 TYR 105 108.729 15.974 14.952 751 HE1 TYR 105 HE1 TYR 105 112.584 12.860 14.744 752 HE2 TYR 105 HE2 TYR 105 110.882 16.593 16.014 753 HH TYR 105 HH TYR 105 112.915 15.226 16.978 754 H GLY 106 H GLY 106 107.340 11.806 11.051 755 HA2 GLY 106 1HA GLY 106 104.484 12.511 11.018 756 HA3 GLY 106 2HA GLY 106 105.249 12.017 9.506 757 H PHE 107 H PHE 107 103.124 10.558 10.600 758 HA PHE 107 HA PHE 107 104.414 8.171 11.778 759 HB2 PHE 107 1HB PHE 107 101.502 8.956 11.601 760 HB3 PHE 107 2HB PHE 107 102.104 7.474 12.318 761 HD1 PHE 107 HD1 PHE 107 103.433 7.553 14.426 762 HD2 PHE 107 HD2 PHE 107 101.594 11.055 12.752 763 HE1 PHE 107 HE1 PHE 107 103.701 8.730 16.593 764 HE2 PHE 107 HE2 PHE 107 101.862 12.232 14.919 765 HZ PHE 107 HZ PHE 107 102.917 11.069 16.840 766 H SER 108 H SER 108 104.734 6.424 10.527 767 HA SER 108 HA SER 108 103.205 6.238 7.981 768 HB2 SER 108 1HB SER 108 105.655 6.586 7.710 769 HB3 SER 108 2HB SER 108 105.939 5.106 8.620 770 HG SER 108 HG SER 108 104.662 5.456 6.115 771 H TYR 109 H TYR 109 102.094 4.384 7.560 772 HA TYR 109 HA TYR 109 102.627 2.019 9.234 773 HB2 TYR 109 1HB TYR 109 100.317 1.704 9.787 774 HB3 TYR 109 2HB TYR 109 100.794 3.309 10.302 775 HD1 TYR 109 HD2 TYR 109 99.896 5.303 9.195 776 HD2 TYR 109 HD1 TYR 109 98.749 1.353 7.957 777 HE1 TYR 109 HE2 TYR 109 97.998 6.256 7.916 778 HE2 TYR 109 HE1 TYR 109 96.851 2.306 6.677 779 HH TYR 109 HH TYR 109 95.550 5.096 7.124 780 H GLY 110 H GLY 110 102.021 0.023 8.254 781 HA2 GLY 110 1HA GLY 110 100.782 0.062 5.630 782 HA3 GLY 110 2HA GLY 110 102.497 -0.319 5.609 783 H ALA 111 H ALA 111 100.958 -2.173 4.603 784 HA ALA 111 HA ALA 111 101.200 -4.360 6.542 785 HB1 ALA 111 1HB ALA 111 99.010 -5.234 6.129 786 HB2 ALA 111 2HB ALA 111 98.705 -4.044 4.864 787 HB3 ALA 111 3HB ALA 111 98.799 -3.534 6.548 788 H GLY 112 H GLY 112 101.558 -6.392 5.545 789 HA2 GLY 112 1HA GLY 112 101.842 -6.381 2.614 790 HA3 GLY 112 2HA GLY 112 103.260 -6.729 3.592 791 H LEU 113 H LEU 113 102.096 -8.418 1.655 792 HA LEU 113 HA LEU 113 101.095 -10.685 3.269 793 HB2 LEU 113 1HB LEU 113 99.696 -9.852 1.294 794 HB3 LEU 113 2HB LEU 113 101.007 -10.411 0.257 795 HG LEU 113 HG LEU 113 100.722 -12.652 1.649 796 HD11 LEU 113 1HD1 LEU 113 97.853 -11.758 1.656 797 HD12 LEU 113 2HD1 LEU 113 98.891 -11.334 3.017 798 HD13 LEU 113 3HD1 LEU 113 98.630 -13.028 2.602 799 HD21 LEU 113 3HD2 LEU 113 100.312 -12.204 -0.838 800 HD22 LEU 113 1HD2 LEU 113 98.621 -11.943 -0.412 801 HD23 LEU 113 2HD2 LEU 113 99.370 -13.514 -0.126 802 H GLN 114 H GLN 114 102.240 -12.761 2.983 803 HA GLN 114 HA GLN 114 104.770 -12.555 1.504 804 HB2 GLN 114 1HB GLN 114 105.223 -11.631 3.765 805 HB3 GLN 114 2HB GLN 114 104.737 -13.172 4.463 806 HG2 GLN 114 1HG GLN 114 106.498 -14.299 3.096 807 HG3 GLN 114 2HG GLN 114 107.033 -12.713 2.541 808 HE21 GLN 114 1HE2 GLN 114 108.787 -11.968 3.730 809 HE22 GLN 114 2HE2 GLN 114 109.057 -12.289 5.373 810 H PHE 115 H PHE 115 105.613 -14.417 0.829 811 HA PHE 115 HA PHE 115 104.603 -16.951 1.947 812 HB2 PHE 115 1HB PHE 115 104.513 -17.927 -0.297 813 HB3 PHE 115 2HB PHE 115 103.394 -16.584 -0.163 814 HD1 PHE 115 HD1 PHE 115 103.870 -14.435 -1.297 815 HD2 PHE 115 HD2 PHE 115 106.422 -17.858 -1.767 816 HE1 PHE 115 HE1 PHE 115 104.916 -13.382 -3.283 817 HE2 PHE 115 HE2 PHE 115 107.468 -16.806 -3.754 818 HZ PHE 115 HZ PHE 115 106.715 -14.566 -4.511 819 H ASN 116 H ASN 116 106.313 -18.358 2.354 820 HA ASN 116 HA ASN 116 108.956 -17.549 1.315 821 HB2 ASN 116 1HB ASN 116 109.870 -17.580 3.598 822 HB3 ASN 116 2HB ASN 116 108.653 -16.326 3.379 823 HD21 ASN 116 1HD2 ASN 116 106.344 -17.009 4.085 824 HD22 ASN 116 2HD2 ASN 116 106.225 -18.008 5.453 825 HA PRO 117 HA PRO 117 109.917 -21.847 2.298 826 HB2 PRO 117 1HB PRO 117 111.410 -22.399 0.078 827 HB3 PRO 117 2HB PRO 117 109.647 -22.585 0.110 828 HG2 PRO 117 1HG PRO 117 111.251 -20.660 -1.327 829 HG3 PRO 117 2HG PRO 117 109.527 -21.021 -1.484 830 HD2 PRO 117 1HD PRO 117 110.816 -18.830 -0.016 831 HD3 PRO 117 2HD PRO 117 109.106 -19.027 -0.466 832 H MET 118 H MET 118 112.312 -22.769 2.369 833 HA MET 118 HA MET 118 113.933 -21.016 3.815 834 HB2 MET 118 1HB MET 118 114.685 -23.505 2.267 835 HB3 MET 118 2HB MET 118 115.752 -22.685 3.406 836 HG2 MET 118 1HG MET 118 114.028 -22.984 5.182 837 HG3 MET 118 2HG MET 118 113.045 -23.896 4.038 838 HE1 MET 118 3HE MET 118 114.222 -26.747 6.285 839 HE2 MET 118 1HE MET 118 112.879 -25.851 5.566 840 HE3 MET 118 2HE MET 118 113.871 -25.105 6.817 841 H GLU 119 H GLU 119 116.168 -20.331 3.224 842 HA GLU 119 HA GLU 119 117.696 -19.225 1.942 843 HB2 GLU 119 1HB GLU 119 116.339 -20.658 -0.355 844 HB3 GLU 119 2HB GLU 119 117.894 -19.837 -0.434 845 HG2 GLU 119 1HG GLU 119 118.751 -21.328 1.356 846 HG3 GLU 119 2HG GLU 119 117.220 -22.191 1.343 847 H ASN 120 H ASN 120 117.663 -17.926 -0.393 848 HA ASN 120 HA ASN 120 116.463 -15.498 0.279 849 HB2 ASN 120 1HB ASN 120 117.594 -16.437 -2.356 850 HB3 ASN 120 2HB ASN 120 117.230 -14.761 -1.950 851 HD21 ASN 120 1HD2 ASN 120 119.911 -16.090 -2.487 852 HD22 ASN 120 2HD2 ASN 120 120.842 -15.746 -1.110 853 H VAL 121 H VAL 121 114.897 -18.145 -1.101 854 HA VAL 121 HA VAL 121 113.476 -16.767 -3.177 855 HB VAL 121 HB VAL 121 112.819 -19.523 -2.133 856 HG11 VAL 121 1HG1 VAL 121 111.201 -18.964 -3.714 857 HG12 VAL 121 2HG1 VAL 121 112.413 -19.712 -4.745 858 HG13 VAL 121 3HG1 VAL 121 112.308 -17.954 -4.641 859 HG21 VAL 121 3HG2 VAL 121 114.429 -20.438 -3.731 860 HG22 VAL 121 1HG2 VAL 121 115.274 -19.360 -2.617 861 HG23 VAL 121 2HG2 VAL 121 114.883 -18.814 -4.248 862 H ALA 122 H ALA 122 113.000 -16.058 -0.132 863 HA ALA 122 HA ALA 122 110.065 -16.404 -0.160 864 HB1 ALA 122 1HB ALA 122 112.033 -15.673 2.018 865 HB2 ALA 122 2HB ALA 122 111.044 -17.129 1.908 866 HB3 ALA 122 3HB ALA 122 110.287 -15.569 2.226 867 H LEU 123 H LEU 123 108.708 -14.613 -0.285 868 HA LEU 123 HA LEU 123 110.025 -11.987 -0.630 869 HB2 LEU 123 1HB LEU 123 108.017 -13.167 -2.562 870 HB3 LEU 123 2HB LEU 123 108.762 -11.575 -2.664 871 HG LEU 123 HG LEU 123 111.013 -13.035 -2.537 872 HD11 LEU 123 1HD1 LEU 123 110.558 -15.060 -4.076 873 HD12 LEU 123 2HD1 LEU 123 108.877 -14.894 -3.575 874 HD13 LEU 123 3HD1 LEU 123 110.125 -15.221 -2.376 875 HD21 LEU 123 3HD2 LEU 123 109.371 -12.769 -5.076 876 HD22 LEU 123 1HD2 LEU 123 111.124 -12.922 -4.975 877 HD23 LEU 123 2HD2 LEU 123 110.331 -11.473 -4.360 878 H ASP 124 H ASP 124 108.773 -10.200 -0.190 879 HA ASP 124 HA ASP 124 105.964 -10.636 0.591 880 HB2 ASP 124 1HB ASP 124 106.243 -9.246 2.576 881 HB3 ASP 124 2HB ASP 124 107.316 -10.636 2.656 882 H PHE 125 H PHE 125 104.595 -8.861 0.263 883 HA PHE 125 HA PHE 125 105.810 -6.460 -0.974 884 HB2 PHE 125 1HB PHE 125 103.327 -7.912 -1.908 885 HB3 PHE 125 2HB PHE 125 103.878 -6.364 -2.516 886 HD1 PHE 125 HD2 PHE 125 105.829 -6.208 -3.984 887 HD2 PHE 125 HD1 PHE 125 104.465 -9.992 -2.478 888 HE1 PHE 125 HE2 PHE 125 107.233 -7.382 -5.657 889 HE2 PHE 125 HE1 PHE 125 105.868 -11.165 -4.150 890 HZ PHE 125 HZ PHE 125 107.253 -9.861 -5.741 891 H SER 126 H SER 126 104.956 -4.532 -0.242 892 HA SER 126 HA SER 126 102.580 -4.667 1.501 893 HB2 SER 126 1HB SER 126 105.092 -3.286 2.426 894 HB3 SER 126 2HB SER 126 103.650 -3.676 3.357 895 HG SER 126 HG SER 126 105.840 -5.173 2.854 896 H TYR 127 H TYR 127 101.543 -2.682 1.870 897 HA TYR 127 HA TYR 127 102.445 -0.423 0.174 898 HB2 TYR 127 1HB TYR 127 99.633 -1.144 1.023 899 HB3 TYR 127 2HB TYR 127 100.087 0.246 0.056 900 HD1 TYR 127 HD1 TYR 127 100.981 -0.090 -2.262 901 HD2 TYR 127 HD2 TYR 127 99.382 -3.319 0.077 902 HE1 TYR 127 HE1 TYR 127 100.754 -1.464 -4.315 903 HE2 TYR 127 HE2 TYR 127 99.155 -4.693 -1.976 904 HH TYR 127 HH TYR 127 98.912 -4.259 -4.459 905 H GLU 128 H GLU 128 102.571 1.582 1.147 906 HA GLU 128 HA GLU 128 101.982 1.687 4.052 907 HB2 GLU 128 1HB GLU 128 104.367 2.855 2.598 908 HB3 GLU 128 2HB GLU 128 104.001 3.081 4.307 909 HG2 GLU 128 1HG GLU 128 104.098 0.615 4.625 910 HG3 GLU 128 2HG GLU 128 104.553 0.436 2.936 911 H GLN 129 H GLN 129 101.379 3.703 4.883 912 HA GLN 129 HA GLN 129 100.625 5.752 2.885 913 HB2 GLN 129 1HB GLN 129 98.663 4.407 3.662 914 HB3 GLN 129 2HB GLN 129 98.998 4.947 5.308 915 HG2 GLN 129 1HG GLN 129 97.356 6.458 4.481 916 HG3 GLN 129 2HG GLN 129 98.881 7.336 4.387 917 HE21 GLN 129 1HE2 GLN 129 99.213 8.346 2.410 918 HE22 GLN 129 2HE2 GLN 129 98.549 7.838 0.932 919 H SER 130 H SER 130 101.182 7.767 3.370 920 HA SER 130 HA SER 130 102.096 8.396 6.112 921 HB2 SER 130 1HB SER 130 103.752 8.607 4.115 922 HB3 SER 130 2HB SER 130 102.799 10.024 3.683 923 HG SER 130 HG SER 130 103.141 10.663 5.955 924 H ARG 131 H ARG 131 101.428 10.458 6.950 925 HA ARG 131 HA ARG 131 98.592 10.589 6.320 926 HB2 ARG 131 1HB ARG 131 98.211 11.154 8.547 927 HB3 ARG 131 2HB ARG 131 99.580 10.063 8.639 928 HG2 ARG 131 1HG ARG 131 99.817 13.088 8.677 929 HG3 ARG 131 2HG ARG 131 99.765 12.085 10.120 930 HD2 ARG 131 1HD ARG 131 101.776 10.845 9.226 931 HD3 ARG 131 2HD ARG 131 101.869 12.052 7.947 932 HE ARG 131 HE ARG 131 102.561 12.427 10.738 933 HH11 ARG 131 1HH1 ARG 131 101.754 14.037 7.725 934 HH12 ARG 131 2HH1 ARG 131 102.486 15.530 8.211 935 HH21 ARG 131 1HH2 ARG 131 103.489 14.374 11.307 936 HH22 ARG 131 2HH2 ARG 131 103.457 15.715 10.215 937 H ILE 132 H ILE 132 97.429 12.772 6.439 938 HA ILE 132 HA ILE 132 98.783 13.635 4.020 939 HB ILE 132 HB ILE 132 95.910 14.017 4.892 940 HG12 ILE 132 1HG1 ILE 132 97.082 12.008 2.947 941 HG13 ILE 132 2HG1 ILE 132 96.685 11.625 4.620 942 HG21 ILE 132 1HG2 ILE 132 96.615 15.627 3.160 943 HG22 ILE 132 2HG2 ILE 132 95.509 14.434 2.483 944 HG23 ILE 132 3HG2 ILE 132 97.241 14.305 2.178 945 HD11 ILE 132 3HD1 ILE 132 94.337 12.379 4.179 946 HD12 ILE 132 1HD1 ILE 132 94.811 10.979 3.216 947 HD13 ILE 132 2HD1 ILE 132 94.764 12.583 2.480 948 H ARG 133 H ARG 133 100.173 15.194 4.645 949 HA ARG 133 HA ARG 133 99.103 17.863 5.144 950 HB2 ARG 133 1HB ARG 133 101.843 16.993 4.166 951 HB3 ARG 133 2HB ARG 133 101.394 18.607 4.712 952 HG2 ARG 133 1HG ARG 133 101.244 16.127 6.445 953 HG3 ARG 133 2HG ARG 133 102.591 17.265 6.460 954 HD2 ARG 133 1HD ARG 133 100.970 19.092 7.022 955 HD3 ARG 133 2HD ARG 133 99.704 17.874 7.151 956 HE ARG 133 HE ARG 133 100.652 17.134 9.151 957 HH11 ARG 133 1HH1 ARG 133 102.777 19.495 7.655 958 HH12 ARG 133 2HH1 ARG 133 103.757 19.658 9.074 959 HH21 ARG 133 1HH2 ARG 133 101.951 17.387 10.947 960 HH22 ARG 133 2HH2 ARG 133 103.295 18.480 10.914 961 H SER 134 H SER 134 100.145 19.414 3.182 962 HA SER 134 HA SER 134 98.299 19.155 1.128 963 HB2 SER 134 1HB SER 134 99.558 20.851 -0.050 964 HB3 SER 134 2HB SER 134 99.588 21.212 1.673 965 HG SER 134 HG SER 134 101.656 21.261 0.440 966 H VAL 135 H VAL 135 101.280 17.370 1.459 967 HA VAL 135 HA VAL 135 100.645 16.108 -1.147 968 HB VAL 135 HB VAL 135 103.004 15.379 -1.242 969 HG11 VAL 135 1HG1 VAL 135 102.662 18.372 -0.881 970 HG12 VAL 135 2HG1 VAL 135 102.286 17.475 -2.351 971 HG13 VAL 135 3HG1 VAL 135 103.955 17.581 -1.785 972 HG21 VAL 135 3HG2 VAL 135 103.186 17.032 1.291 973 HG22 VAL 135 1HG2 VAL 135 104.598 16.601 0.327 974 HG23 VAL 135 2HG2 VAL 135 103.625 15.338 1.077 975 H ASP 136 H ASP 136 99.932 14.076 -1.006 976 HA ASP 136 HA ASP 136 100.223 12.619 1.545 977 HB2 ASP 136 1HB ASP 136 97.918 12.988 0.693 978 HB3 ASP 136 2HB ASP 136 98.340 12.107 -0.771 979 H VAL 137 H VAL 137 101.129 10.497 1.590 980 HA VAL 137 HA VAL 137 102.692 9.916 -0.882 981 HB VAL 137 HB VAL 137 103.404 9.067 1.923 982 HG11 VAL 137 1HG1 VAL 137 105.548 8.524 0.941 983 HG12 VAL 137 2HG1 VAL 137 105.054 9.201 -0.610 984 HG13 VAL 137 3HG1 VAL 137 104.287 7.733 -0.005 985 HG21 VAL 137 3HG2 VAL 137 103.435 11.578 1.602 986 HG22 VAL 137 1HG2 VAL 137 104.600 11.335 0.301 987 HG23 VAL 137 2HG2 VAL 137 105.015 10.879 1.953 988 H GLY 138 H GLY 138 102.450 8.042 -1.885 989 HA2 GLY 138 1HA GLY 138 101.283 5.759 -0.391 990 HA3 GLY 138 2HA GLY 138 100.889 6.078 -2.083 991 H THR 139 H THR 139 102.714 4.071 -0.262 992 HA THR 139 HA THR 139 104.959 4.037 -2.201 993 HB THR 139 HB THR 139 105.167 3.454 0.756 994 HG1 THR 139 HG1 THR 139 105.643 5.483 1.003 995 HG21 THR 139 3HG2 THR 139 106.841 2.250 -0.450 996 HG22 THR 139 1HG2 THR 139 107.637 3.696 0.170 997 HG23 THR 139 2HG2 THR 139 107.147 3.617 -1.522 998 H TRP 140 H TRP 140 105.430 2.127 -3.078 999 HA TRP 140 HA TRP 140 104.177 -0.306 -1.924 1000 HB2 TRP 140 1HB TRP 140 103.309 0.294 -4.163 1001 HB3 TRP 140 2HB TRP 140 104.943 0.261 -4.795 1002 HD1 TRP 140 HD1 TRP 140 103.076 -2.284 -2.555 1003 HE1 TRP 140 HE1 TRP 140 103.211 -4.595 -3.690 1004 HE3 TRP 140 HE3 TRP 140 105.554 -1.019 -6.837 1005 HZ2 TRP 140 HZ2 TRP 140 104.235 -5.754 -6.100 1006 HZ3 TRP 140 HZ3 TRP 140 106.097 -2.740 -8.531 1007 HH2 TRP 140 HH2 TRP 140 105.443 -5.104 -8.170 1008 H ILE 141 H ILE 141 105.558 -1.954 -1.367 1009 HA ILE 141 HA ILE 141 108.402 -1.641 -2.143 1010 HB ILE 141 HB ILE 141 109.078 -2.243 0.108 1011 HG12 ILE 141 1HG1 ILE 141 106.135 -2.156 0.843 1012 HG13 ILE 141 2HG1 ILE 141 107.059 -3.646 0.636 1013 HG21 ILE 141 1HG2 ILE 141 108.784 -0.140 1.012 1014 HG22 ILE 141 2HG2 ILE 141 107.065 -0.082 0.617 1015 HG23 ILE 141 3HG2 ILE 141 108.266 0.187 -0.641 1016 HD11 ILE 141 3HD1 ILE 141 107.469 -1.480 2.706 1017 HD12 ILE 141 1HD1 ILE 141 108.695 -2.701 2.361 1018 HD13 ILE 141 2HD1 ILE 141 107.116 -3.188 2.976 1019 H ALA 142 H ALA 142 109.550 -3.459 -2.535 1020 HA ALA 142 HA ALA 142 108.256 -6.072 -2.031 1021 HB1 ALA 142 1HB ALA 142 109.155 -6.851 -4.232 1022 HB2 ALA 142 2HB ALA 142 109.601 -5.186 -4.598 1023 HB3 ALA 142 3HB ALA 142 107.904 -5.619 -4.392 1024 H GLY 143 H GLY 143 109.619 -7.529 -1.110 1025 HA2 GLY 143 1HA GLY 143 112.522 -6.989 -1.203 1026 HA3 GLY 143 2HA GLY 143 111.719 -7.122 0.358 1027 H VAL 144 H VAL 144 113.845 -8.757 -0.688 1028 HA VAL 144 HA VAL 144 112.510 -11.399 -0.646 1029 HB VAL 144 HB VAL 144 114.364 -12.249 -2.057 1030 HG11 VAL 144 1HG1 VAL 144 112.563 -10.043 -3.017 1031 HG12 VAL 144 2HG1 VAL 144 112.479 -11.771 -3.351 1032 HG13 VAL 144 3HG1 VAL 144 113.706 -10.783 -4.138 1033 HG21 VAL 144 3HG2 VAL 144 115.103 -9.312 -2.297 1034 HG22 VAL 144 1HG2 VAL 144 115.858 -10.642 -3.176 1035 HG23 VAL 144 2HG2 VAL 144 116.038 -10.527 -1.425 1036 H GLY 145 H GLY 145 113.512 -12.966 0.654 1037 HA2 GLY 145 1HA GLY 145 115.969 -12.287 2.062 1038 HA3 GLY 145 2HA GLY 145 114.518 -12.315 3.053 1039 H TYR 146 H TYR 146 116.307 -13.927 3.892 1040 HA TYR 146 HA TYR 146 115.281 -16.598 3.250 1041 HB2 TYR 146 1HB TYR 146 117.479 -17.567 3.231 1042 HB3 TYR 146 2HB TYR 146 117.426 -16.282 2.043 1043 HD1 TYR 146 HD1 TYR 146 118.597 -14.126 2.480 1044 HD2 TYR 146 HD2 TYR 146 118.924 -17.481 5.143 1045 HE1 TYR 146 HE1 TYR 146 120.593 -13.097 3.532 1046 HE2 TYR 146 HE2 TYR 146 120.920 -16.452 6.193 1047 HH TYR 146 HH TYR 146 121.695 -13.462 6.129 1048 H ARG 147 H ARG 147 115.927 -18.182 4.998 1049 HA ARG 147 HA ARG 147 115.877 -16.825 7.634 1050 HB2 ARG 147 1HB ARG 147 113.731 -17.915 7.000 1051 HB3 ARG 147 2HB ARG 147 114.580 -19.454 6.875 1052 HG2 ARG 147 1HG ARG 147 115.208 -19.341 9.232 1053 HG3 ARG 147 2HG ARG 147 114.464 -17.750 9.382 1054 HD2 ARG 147 1HD ARG 147 112.888 -19.359 10.235 1055 HD3 ARG 147 2HD ARG 147 112.280 -18.795 8.682 1056 HE ARG 147 HE ARG 147 113.899 -21.135 8.389 1057 HH11 ARG 147 1HH1 ARG 147 110.675 -20.105 9.322 1058 HH12 ARG 147 2HH1 ARG 147 109.960 -21.625 8.903 1059 HH21 ARG 147 1HH2 ARG 147 112.919 -23.071 7.867 1060 HH22 ARG 147 2HH2 ARG 147 111.216 -23.282 8.091 1061 H PHE 148 H PHE 148 117.002 -17.803 9.348 1062 HA PHE 148 HA PHE 148 118.807 -18.862 10.295 1063 HB2 PHE 148 1HB PHE 148 117.374 -20.832 9.853 1064 HB3 PHE 148 2HB PHE 148 118.130 -21.009 8.281 1065 HD1 PHE 148 HD1 PHE 148 118.661 -21.230 11.938 1066 HD2 PHE 148 HD2 PHE 148 120.314 -21.992 8.046 1067 HE1 PHE 148 HE1 PHE 148 120.444 -22.614 12.965 1068 HE2 PHE 148 HE2 PHE 148 122.096 -23.376 9.075 1069 HZ PHE 148 HZ PHE 148 122.162 -23.687 11.535 Start of MODEL 9 1 H1 ALA 1 3H ALA 1 112.862 -18.703 10.229 2 H2 ALA 1 2H ALA 1 112.610 -20.014 9.179 3 H3 ALA 1 HT3 ALA 1 114.175 -19.653 9.729 4 HA ALA 1 HA ALA 1 111.932 -20.881 11.189 5 HB1 ALA 1 2HB ALA 1 114.891 -21.470 10.896 6 HB2 ALA 1 3HB ALA 1 113.563 -22.368 10.159 7 HB3 ALA 1 1HB ALA 1 113.785 -22.398 11.907 8 H THR 2 H THR 2 115.096 -19.318 11.708 9 HA THR 2 HA THR 2 114.220 -18.593 14.445 10 HB THR 2 HB THR 2 116.590 -18.621 15.070 11 HG1 THR 2 HG1 THR 2 118.086 -19.394 13.543 12 HG21 THR 2 3HG2 THR 2 115.686 -21.141 13.650 13 HG22 THR 2 1HG2 THR 2 115.285 -20.690 15.306 14 HG23 THR 2 2HG2 THR 2 116.954 -21.059 14.872 15 H SER 3 H SER 3 115.884 -17.499 11.514 16 HA SER 3 HA SER 3 115.288 -14.738 12.241 17 HB2 SER 3 1HB SER 3 117.519 -15.168 13.248 18 HB3 SER 3 2HB SER 3 118.124 -15.623 11.658 19 HG SER 3 HG SER 3 118.564 -13.510 11.737 20 H THR 4 H THR 4 114.813 -13.544 10.485 21 HA THR 4 HA THR 4 115.622 -14.558 7.824 22 HB THR 4 HB THR 4 112.900 -13.423 8.516 23 HG1 THR 4 HG1 THR 4 113.041 -15.458 9.368 24 HG21 THR 4 3HG2 THR 4 114.120 -14.587 6.004 25 HG22 THR 4 1HG2 THR 4 113.480 -12.961 6.230 26 HG23 THR 4 2HG2 THR 4 112.387 -14.344 6.214 27 H VAL 5 H VAL 5 116.234 -13.024 6.373 28 HA VAL 5 HA VAL 5 115.937 -10.181 7.163 29 HB VAL 5 HB VAL 5 118.217 -10.952 7.696 30 HG11 VAL 5 1HG1 VAL 5 119.720 -11.729 5.966 31 HG12 VAL 5 2HG1 VAL 5 118.489 -11.487 4.727 32 HG13 VAL 5 3HG1 VAL 5 118.281 -12.749 5.943 33 HG21 VAL 5 3HG2 VAL 5 119.360 -9.146 6.653 34 HG22 VAL 5 1HG2 VAL 5 117.677 -8.627 6.752 35 HG23 VAL 5 2HG2 VAL 5 118.329 -9.218 5.224 36 H THR 6 H THR 6 115.173 -8.894 5.603 37 HA THR 6 HA THR 6 115.258 -9.861 2.806 38 HB THR 6 HB THR 6 113.009 -8.975 2.454 39 HG1 THR 6 HG1 THR 6 112.023 -7.851 3.931 40 HG21 THR 6 3HG2 THR 6 111.857 -10.514 4.322 41 HG22 THR 6 1HG2 THR 6 113.514 -11.091 4.497 42 HG23 THR 6 2HG2 THR 6 112.704 -11.197 2.937 43 H GLY 7 H GLY 7 115.665 -8.341 1.262 44 HA2 GLY 7 1HA GLY 7 115.814 -5.504 2.122 45 HA3 GLY 7 2HA GLY 7 117.029 -6.224 1.060 46 H GLY 8 H GLY 8 114.910 -4.033 0.649 47 HA2 GLY 8 1HA GLY 8 113.895 -5.092 -1.891 48 HA3 GLY 8 2HA GLY 8 112.701 -4.586 -0.703 49 H TYR 9 H TYR 9 112.527 -3.390 -2.996 50 HA TYR 9 HA TYR 9 113.859 -0.757 -2.721 51 HB2 TYR 9 1HB TYR 9 112.773 -2.095 -5.206 52 HB3 TYR 9 2HB TYR 9 113.472 -0.487 -5.138 53 HD1 TYR 9 HD1 TYR 9 114.148 -4.097 -5.054 54 HD2 TYR 9 HD2 TYR 9 115.887 -0.172 -4.887 55 HE1 TYR 9 HE1 TYR 9 116.394 -5.076 -5.446 56 HE2 TYR 9 HE2 TYR 9 118.131 -1.151 -5.278 57 HH TYR 9 HH TYR 9 118.648 -4.149 -6.464 58 H ALA 10 H ALA 10 112.577 1.016 -2.633 59 HA ALA 10 HA ALA 10 109.649 0.578 -2.697 60 HB1 ALA 10 1HB ALA 10 110.933 1.122 -0.461 61 HB2 ALA 10 2HB ALA 10 109.396 1.908 -0.820 62 HB3 ALA 10 3HB ALA 10 110.913 2.767 -1.092 63 H GLN 11 H GLN 11 108.430 1.966 -3.862 64 HA GLN 11 HA GLN 11 109.747 4.388 -4.976 65 HB2 GLN 11 1HB GLN 11 107.548 2.742 -6.257 66 HB3 GLN 11 2HB GLN 11 108.328 4.164 -6.947 67 HG2 GLN 11 1HG GLN 11 109.690 1.532 -6.295 68 HG3 GLN 11 2HG GLN 11 109.271 2.104 -7.907 69 HE21 GLN 11 1HE2 GLN 11 111.936 1.702 -6.137 70 HE22 GLN 11 2HE2 GLN 11 112.835 3.071 -6.578 71 H SER 12 H SER 12 108.733 6.288 -4.541 72 HA SER 12 HA SER 12 106.125 6.125 -3.134 73 HB2 SER 12 1HB SER 12 108.036 6.880 -1.728 74 HB3 SER 12 2HB SER 12 108.297 8.216 -2.845 75 HG SER 12 HG SER 12 106.352 7.832 -0.924 76 H ASP 13 H ASP 13 104.478 7.373 -3.811 77 HA ASP 13 HA ASP 13 104.735 8.486 -6.480 78 HB2 ASP 13 1HB ASP 13 102.831 7.020 -5.848 79 HB3 ASP 13 2HB ASP 13 102.294 8.252 -4.709 80 H ALA 14 H ALA 14 105.079 10.541 -6.895 81 HA ALA 14 HA ALA 14 104.582 12.551 -4.793 82 HB1 ALA 14 1HB ALA 14 106.879 12.195 -6.008 83 HB2 ALA 14 2HB ALA 14 106.292 13.830 -5.707 84 HB3 ALA 14 3HB ALA 14 106.115 13.110 -7.307 85 H GLN 15 H GLN 15 103.296 14.313 -5.162 86 HA GLN 15 HA GLN 15 101.521 14.190 -7.482 87 HB2 GLN 15 1HB GLN 15 101.532 15.989 -5.041 88 HB3 GLN 15 2HB GLN 15 100.304 16.021 -6.310 89 HG2 GLN 15 1HG GLN 15 99.712 13.695 -5.840 90 HG3 GLN 15 2HG GLN 15 100.989 13.590 -4.632 91 HE21 GLN 15 1HE2 GLN 15 98.245 13.112 -3.959 92 HE22 GLN 15 2HE2 GLN 15 97.729 14.354 -2.924 93 H GLY 16 H GLY 16 101.178 16.117 -8.829 94 HA2 GLY 16 1HA GLY 16 103.533 16.875 -10.053 95 HA3 GLY 16 2HA GLY 16 102.016 17.743 -10.237 96 H GLN 17 H GLN 17 105.144 17.903 -9.221 97 HA GLN 17 HA GLN 17 105.363 20.541 -8.475 98 HB2 GLN 17 1HB GLN 17 103.894 19.952 -6.512 99 HB3 GLN 17 2HB GLN 17 105.114 18.785 -6.010 100 HG2 GLN 17 1HG GLN 17 106.770 20.579 -5.804 101 HG3 GLN 17 2HG GLN 17 105.589 21.755 -6.372 102 HE21 GLN 17 1HE2 GLN 17 106.671 22.291 -3.911 103 HE22 GLN 17 2HE2 GLN 17 105.562 21.952 -2.671 104 H MET 18 H MET 18 106.309 17.384 -7.174 105 HA MET 18 HA MET 18 109.104 17.901 -7.980 106 HB2 MET 18 1HB MET 18 108.126 16.582 -5.435 107 HB3 MET 18 2HB MET 18 109.810 16.629 -5.959 108 HG2 MET 18 1HG MET 18 109.652 19.139 -6.007 109 HG3 MET 18 2HG MET 18 108.052 18.999 -5.281 110 HE1 MET 18 3HE MET 18 107.523 17.776 -3.204 111 HE2 MET 18 1HE MET 18 108.638 17.360 -1.896 112 HE3 MET 18 2HE MET 18 108.564 16.361 -3.346 113 H ASN 19 H ASN 19 110.341 15.696 -7.904 114 HA ASN 19 HA ASN 19 108.780 13.853 -9.557 115 HB2 ASN 19 1HB ASN 19 111.739 13.992 -8.936 116 HB3 ASN 19 2HB ASN 19 110.995 12.808 -10.008 117 HD21 ASN 19 1HD2 ASN 19 112.963 14.800 -10.854 118 HD22 ASN 19 2HD2 ASN 19 112.192 15.815 -11.976 119 H LYS 20 H LYS 20 109.031 11.508 -9.224 120 HA LYS 20 HA LYS 20 108.193 10.701 -6.683 121 HB2 LYS 20 1HB LYS 20 109.481 9.075 -8.888 122 HB3 LYS 20 2HB LYS 20 108.664 8.390 -7.484 123 HG2 LYS 20 1HG LYS 20 106.594 9.625 -8.132 124 HG3 LYS 20 2HG LYS 20 107.420 10.181 -9.589 125 HD2 LYS 20 1HD LYS 20 107.807 7.796 -10.230 126 HD3 LYS 20 2HD LYS 20 106.851 7.302 -8.831 127 HE2 LYS 20 1HE LYS 20 104.936 8.644 -9.728 128 HE3 LYS 20 2HE LYS 20 105.890 8.963 -11.175 129 HZ1 LYS 20 3HZ LYS 20 104.800 6.398 -10.209 130 HZ2 LYS 20 1HZ LYS 20 106.129 6.427 -11.266 131 HZ3 LYS 20 2HZ LYS 20 104.649 7.113 -11.743 132 H MET 21 H MET 21 109.356 8.964 -5.360 133 HA MET 21 HA MET 21 112.214 9.722 -5.023 134 HB2 MET 21 1HB MET 21 110.121 9.337 -2.870 135 HB3 MET 21 2HB MET 21 111.851 9.519 -2.566 136 HG2 MET 21 1HG MET 21 111.796 11.713 -3.745 137 HG3 MET 21 2HG MET 21 110.048 11.542 -3.927 138 HE1 MET 21 3HE MET 21 110.545 14.322 -1.272 139 HE2 MET 21 1HE MET 21 109.399 13.803 -2.515 140 HE3 MET 21 2HE MET 21 111.111 13.955 -2.900 141 H GLY 22 H GLY 22 113.512 8.099 -3.866 142 HA2 GLY 22 1HA GLY 22 112.468 5.350 -4.305 143 HA3 GLY 22 2HA GLY 22 114.129 5.819 -4.656 144 H GLY 23 H GLY 23 113.023 3.796 -2.750 145 HA2 GLY 23 1HA GLY 23 114.427 4.764 -0.344 146 HA3 GLY 23 2HA GLY 23 112.812 4.089 -0.190 147 H PHE 24 H PHE 24 115.558 3.245 0.777 148 HA PHE 24 HA PHE 24 115.536 0.479 -0.281 149 HB2 PHE 24 1HB PHE 24 117.697 1.710 -0.406 150 HB3 PHE 24 2HB PHE 24 117.663 1.894 1.337 151 HD1 PHE 24 HD2 PHE 24 118.161 -0.436 -1.461 152 HD2 PHE 24 HD1 PHE 24 118.088 -0.012 2.811 153 HE1 PHE 24 HE2 PHE 24 119.287 -2.633 -1.225 154 HE2 PHE 24 HE1 PHE 24 119.212 -2.209 3.051 155 HZ PHE 24 HZ PHE 24 119.812 -3.520 1.031 156 H ASN 25 H ASN 25 114.941 -1.172 1.078 157 HA ASN 25 HA ASN 25 114.385 -0.438 3.904 158 HB2 ASN 25 1HB ASN 25 112.344 -0.606 2.454 159 HB3 ASN 25 2HB ASN 25 112.744 -2.300 2.178 160 HD21 ASN 25 1HD2 ASN 25 110.501 -0.820 3.796 161 HD22 ASN 25 2HD2 ASN 25 110.515 -1.632 5.286 162 H LEU 26 H LEU 26 115.192 -1.743 5.409 163 HA LEU 26 HA LEU 26 115.992 -4.495 4.645 164 HB2 LEU 26 1HB LEU 26 117.917 -2.867 5.024 165 HB3 LEU 26 2HB LEU 26 117.406 -2.794 6.708 166 HG LEU 26 HG LEU 26 117.805 -5.489 5.448 167 HD11 LEU 26 1HD1 LEU 26 120.025 -3.685 6.456 168 HD12 LEU 26 2HD1 LEU 26 119.836 -4.292 4.811 169 HD13 LEU 26 3HD1 LEU 26 120.205 -5.408 6.125 170 HD21 LEU 26 3HD2 LEU 26 117.031 -5.682 7.645 171 HD22 LEU 26 1HD2 LEU 26 117.904 -4.248 8.184 172 HD23 LEU 26 2HD2 LEU 26 118.772 -5.753 7.888 173 H LYS 27 H LYS 27 115.169 -6.083 5.979 174 HA LYS 27 HA LYS 27 113.757 -5.170 8.423 175 HB2 LYS 27 1HB LYS 27 112.756 -7.125 6.344 176 HB3 LYS 27 2HB LYS 27 111.954 -6.760 7.870 177 HG2 LYS 27 1HG LYS 27 111.829 -4.367 7.190 178 HG3 LYS 27 2HG LYS 27 112.515 -4.802 5.626 179 HD2 LYS 27 1HD LYS 27 110.614 -6.390 5.286 180 HD3 LYS 27 2HD LYS 27 109.902 -5.806 6.790 181 HE2 LYS 27 1HE LYS 27 108.848 -4.543 5.066 182 HE3 LYS 27 2HE LYS 27 110.045 -3.460 5.773 183 HZ1 LYS 27 3HZ LYS 27 111.591 -4.178 3.993 184 HZ2 LYS 27 1HZ LYS 27 110.231 -3.343 3.416 185 HZ3 LYS 27 2HZ LYS 27 110.312 -5.035 3.274 186 H TYR 28 H TYR 28 113.764 -6.508 10.148 187 HA TYR 28 HA TYR 28 115.085 -9.149 9.877 188 HB2 TYR 28 1HB TYR 28 114.988 -7.320 12.285 189 HB3 TYR 28 2HB TYR 28 115.701 -8.920 12.255 190 HD1 TYR 28 HD1 TYR 28 117.739 -9.337 10.828 191 HD2 TYR 28 HD2 TYR 28 116.162 -5.402 11.522 192 HE1 TYR 28 HE1 TYR 28 119.894 -8.345 10.105 193 HE2 TYR 28 HE2 TYR 28 118.318 -4.412 10.796 194 HH TYR 28 HH TYR 28 121.150 -6.353 10.278 195 H ARG 29 H ARG 29 113.895 -10.888 10.543 196 HA ARG 29 HA ARG 29 111.355 -10.373 11.963 197 HB2 ARG 29 1HB ARG 29 111.694 -11.956 9.409 198 HB3 ARG 29 2HB ARG 29 110.228 -11.945 10.390 199 HG2 ARG 29 1HG ARG 29 110.116 -9.466 10.125 200 HG3 ARG 29 2HG ARG 29 111.504 -9.548 9.041 201 HD2 ARG 29 1HD ARG 29 108.826 -10.906 8.616 202 HD3 ARG 29 2HD ARG 29 109.424 -9.498 7.745 203 HE ARG 29 HE ARG 29 111.244 -11.690 7.536 204 HH11 ARG 29 1HH1 ARG 29 108.204 -10.505 6.243 205 HH12 ARG 29 2HH1 ARG 29 108.395 -11.360 4.748 206 HH21 ARG 29 1HH2 ARG 29 111.435 -12.763 5.591 207 HH22 ARG 29 2HH2 ARG 29 110.200 -12.621 4.385 208 H TYR 30 H TYR 30 110.707 -11.970 13.364 209 HA TYR 30 HA TYR 30 112.378 -14.421 13.479 210 HB2 TYR 30 1HB TYR 30 110.725 -13.112 15.647 211 HB3 TYR 30 2HB TYR 30 111.661 -14.584 15.823 212 HD1 TYR 30 HD1 TYR 30 111.788 -10.923 15.525 213 HD2 TYR 30 HD2 TYR 30 114.103 -14.515 15.961 214 HE1 TYR 30 HE1 TYR 30 113.768 -9.570 16.161 215 HE2 TYR 30 HE2 TYR 30 116.082 -13.162 16.595 216 HH TYR 30 HH TYR 30 116.819 -10.635 16.085 217 H GLU 31 H GLU 31 111.351 -16.401 13.366 218 HA GLU 31 HA GLU 31 108.541 -16.292 12.548 219 HB2 GLU 31 1HB GLU 31 110.570 -18.531 12.429 220 HB3 GLU 31 2HB GLU 31 108.906 -18.656 11.858 221 HG2 GLU 31 1HG GLU 31 109.321 -16.707 10.352 222 HG3 GLU 31 2HG GLU 31 111.004 -16.715 10.856 223 H GLU 32 H GLU 32 106.909 -16.973 13.717 224 HA GLU 32 HA GLU 32 107.420 -18.438 16.221 225 HB2 GLU 32 1HB GLU 32 105.791 -15.899 15.964 226 HB3 GLU 32 2HB GLU 32 105.917 -16.893 17.418 227 HG2 GLU 32 1HG GLU 32 108.248 -15.562 16.012 228 HG3 GLU 32 2HG GLU 32 107.481 -14.968 17.479 229 H ASP 33 H ASP 33 105.595 -19.509 17.089 230 HA ASP 33 HA ASP 33 103.962 -20.700 15.053 231 HB2 ASP 33 1HB ASP 33 103.961 -21.027 18.063 232 HB3 ASP 33 2HB ASP 33 103.038 -22.024 16.941 233 H ASN 34 H ASN 34 101.545 -21.129 15.909 234 HA ASN 34 HA ASN 34 100.112 -18.831 15.314 235 HB2 ASN 34 1HB ASN 34 99.212 -21.260 16.870 236 HB3 ASN 34 2HB ASN 34 98.138 -20.056 16.159 237 HD21 ASN 34 1HD2 ASN 34 99.373 -19.609 13.667 238 HD22 ASN 34 2HD2 ASN 34 99.353 -21.046 12.765 239 H SER 35 H SER 35 101.272 -19.908 18.491 240 HA SER 35 HA SER 35 99.373 -18.104 19.808 241 HB2 SER 35 1HB SER 35 101.352 -19.908 21.175 242 HB3 SER 35 2HB SER 35 99.851 -19.244 21.812 243 HG SER 35 HG SER 35 99.947 -21.532 20.928 244 HA PRO 36 HA PRO 36 103.099 -15.588 20.638 245 HB2 PRO 36 1HB PRO 36 105.610 -16.475 19.680 246 HB3 PRO 36 2HB PRO 36 105.015 -16.581 21.343 247 HG2 PRO 36 1HG PRO 36 105.547 -18.717 19.628 248 HG3 PRO 36 2HG PRO 36 104.681 -18.787 21.171 249 HD2 PRO 36 1HD PRO 36 103.578 -18.696 18.403 250 HD3 PRO 36 2HD PRO 36 102.938 -19.532 19.836 251 H LEU 37 H LEU 37 103.337 -13.771 19.447 252 HA LEU 37 HA LEU 37 102.931 -13.892 16.594 253 HB2 LEU 37 1HB LEU 37 103.470 -11.504 18.374 254 HB3 LEU 37 2HB LEU 37 102.873 -11.452 16.716 255 HG LEU 37 HG LEU 37 101.443 -12.809 19.024 256 HD11 LEU 37 1HD1 LEU 37 99.858 -10.917 18.837 257 HD12 LEU 37 2HD1 LEU 37 100.890 -10.178 17.615 258 HD13 LEU 37 3HD1 LEU 37 101.473 -10.357 19.270 259 HD21 LEU 37 3HD2 LEU 37 100.745 -12.314 16.115 260 HD22 LEU 37 1HD2 LEU 37 99.538 -12.743 17.328 261 HD23 LEU 37 2HD2 LEU 37 100.845 -13.865 16.949 262 H GLY 38 H GLY 38 104.294 -12.860 15.011 263 HA2 GLY 38 1HA GLY 38 107.143 -13.305 15.567 264 HA3 GLY 38 2HA GLY 38 106.410 -13.094 13.976 265 H VAL 39 H VAL 39 108.703 -11.648 15.400 266 HA VAL 39 HA VAL 39 107.537 -8.934 15.599 267 HB VAL 39 HB VAL 39 110.237 -9.929 16.550 268 HG11 VAL 39 1HG1 VAL 39 110.330 -7.788 17.739 269 HG12 VAL 39 2HG1 VAL 39 108.743 -7.349 17.110 270 HG13 VAL 39 3HG1 VAL 39 110.115 -7.502 16.013 271 HG21 VAL 39 3HG2 VAL 39 108.347 -10.940 17.803 272 HG22 VAL 39 1HG2 VAL 39 107.703 -9.328 18.111 273 HG23 VAL 39 2HG2 VAL 39 109.253 -9.806 18.804 274 H ILE 40 H ILE 40 107.925 -7.505 14.004 275 HA ILE 40 HA ILE 40 110.267 -7.987 12.246 276 HB ILE 40 HB ILE 40 108.182 -8.553 11.069 277 HG12 ILE 40 1HG1 ILE 40 109.203 -5.887 10.062 278 HG13 ILE 40 2HG1 ILE 40 110.127 -7.382 9.910 279 HG21 ILE 40 1HG2 ILE 40 106.532 -6.759 10.604 280 HG22 ILE 40 2HG2 ILE 40 107.400 -5.693 11.706 281 HG23 ILE 40 3HG2 ILE 40 106.623 -7.153 12.319 282 HD11 ILE 40 3HD1 ILE 40 108.978 -7.346 7.881 283 HD12 ILE 40 1HD1 ILE 40 107.541 -6.614 8.591 284 HD13 ILE 40 2HD1 ILE 40 107.895 -8.318 8.875 285 H GLY 41 H GLY 41 111.580 -6.324 11.950 286 HA2 GLY 41 1HA GLY 41 110.642 -3.599 12.635 287 HA3 GLY 41 2HA GLY 41 112.215 -4.187 13.176 288 H SER 42 H SER 42 111.193 -2.058 11.145 289 HA SER 42 HA SER 42 112.935 -2.898 8.896 290 HB2 SER 42 1HB SER 42 110.541 -3.115 8.282 291 HB3 SER 42 2HB SER 42 110.308 -1.417 8.674 292 HG SER 42 HG SER 42 111.150 -0.931 6.813 293 H PHE 43 H PHE 43 114.312 -1.403 8.137 294 HA PHE 43 HA PHE 43 114.064 1.377 9.145 295 HB2 PHE 43 1HB PHE 43 116.552 -0.163 8.374 296 HB3 PHE 43 2HB PHE 43 116.512 1.523 8.851 297 HD1 PHE 43 HD1 PHE 43 115.998 2.152 11.197 298 HD2 PHE 43 HD2 PHE 43 116.404 -1.947 9.979 299 HE1 PHE 43 HE1 PHE 43 116.236 1.471 13.570 300 HE2 PHE 43 HE2 PHE 43 116.641 -2.628 12.352 301 HZ PHE 43 HZ PHE 43 116.558 -0.920 14.148 302 H THR 44 H THR 44 113.880 2.936 7.614 303 HA THR 44 HA THR 44 114.407 2.174 4.793 304 HB THR 44 HB THR 44 112.098 3.867 5.772 305 HG1 THR 44 HG1 THR 44 111.261 1.997 6.183 306 HG21 THR 44 3HG2 THR 44 113.027 4.284 3.457 307 HG22 THR 44 1HG2 THR 44 111.343 3.761 3.485 308 HG23 THR 44 2HG2 THR 44 112.615 2.615 3.063 309 H TYR 45 H TYR 45 115.504 3.579 3.608 310 HA TYR 45 HA TYR 45 115.852 6.353 4.612 311 HB2 TYR 45 1HB TYR 45 117.869 4.698 3.082 312 HB3 TYR 45 2HB TYR 45 118.095 6.339 3.656 313 HD1 TYR 45 HD1 TYR 45 118.456 6.795 6.049 314 HD2 TYR 45 HD2 TYR 45 117.996 2.788 4.568 315 HE1 TYR 45 HE1 TYR 45 119.360 5.904 8.178 316 HE2 TYR 45 HE2 TYR 45 118.898 1.898 6.699 317 HH TYR 45 HH TYR 45 119.046 3.524 9.453 318 H THR 46 H THR 46 115.496 7.965 3.092 319 HA THR 46 HA THR 46 114.632 7.033 0.412 320 HB THR 46 HB THR 46 113.751 9.563 1.808 321 HG1 THR 46 HG1 THR 46 111.800 8.274 2.111 322 HG21 THR 46 3HG2 THR 46 113.533 9.523 -0.643 323 HG22 THR 46 1HG2 THR 46 111.948 9.467 0.130 324 HG23 THR 46 2HG2 THR 46 112.654 7.998 -0.543 325 H GLU 47 H GLU 47 115.216 8.208 -1.408 326 HA GLU 47 HA GLU 47 117.186 10.364 -1.051 327 HB2 GLU 47 1HB GLU 47 118.384 8.177 -1.321 328 HB3 GLU 47 2HB GLU 47 117.615 8.004 -2.898 329 HG2 GLU 47 1HG GLU 47 118.613 10.178 -3.589 330 HG3 GLU 47 2HG GLU 47 119.438 10.269 -2.040 331 H LYS 48 H LYS 48 117.238 11.856 -2.706 332 HA LYS 48 HA LYS 48 115.397 11.435 -4.986 333 HB2 LYS 48 1HB LYS 48 114.425 12.961 -3.240 334 HB3 LYS 48 2HB LYS 48 115.791 14.045 -3.501 335 HG2 LYS 48 1HG LYS 48 115.169 14.214 -5.903 336 HG3 LYS 48 2HG LYS 48 113.760 13.195 -5.588 337 HD2 LYS 48 1HD LYS 48 113.014 14.871 -3.870 338 HD3 LYS 48 2HD LYS 48 114.334 15.919 -4.390 339 HE2 LYS 48 1HE LYS 48 113.403 15.799 -6.728 340 HE3 LYS 48 2HE LYS 48 112.006 14.950 -6.068 341 HZ1 LYS 48 3HZ LYS 48 111.504 16.819 -4.690 342 HZ2 LYS 48 1HZ LYS 48 111.678 17.370 -6.285 343 HZ3 LYS 48 2HZ LYS 48 112.925 17.623 -5.159 344 H SER 49 H SER 49 116.198 12.080 -6.957 345 HA SER 49 HA SER 49 118.981 13.113 -6.950 346 HB2 SER 49 1HB SER 49 119.514 11.661 -8.739 347 HB3 SER 49 2HB SER 49 118.633 10.676 -7.577 348 HG SER 49 HG SER 49 117.368 10.280 -9.212 349 H ARG 50 H ARG 50 115.794 13.408 -8.367 350 HA ARG 50 HA ARG 50 116.843 15.478 -10.216 351 HB2 ARG 50 1HB ARG 50 116.160 13.382 -11.389 352 HB3 ARG 50 2HB ARG 50 114.532 13.601 -10.749 353 HG2 ARG 50 1HG ARG 50 114.413 15.820 -11.854 354 HG3 ARG 50 2HG ARG 50 116.013 15.543 -12.544 355 HD2 ARG 50 1HD ARG 50 115.138 13.477 -13.640 356 HD3 ARG 50 2HD ARG 50 113.533 13.874 -13.034 357 HE ARG 50 HE ARG 50 114.528 16.101 -14.434 358 HH11 ARG 50 1HH1 ARG 50 113.463 12.827 -15.124 359 HH12 ARG 50 2HH1 ARG 50 112.960 13.225 -16.732 360 HH21 ARG 50 1HH2 ARG 50 113.860 16.551 -16.515 361 HH22 ARG 50 2HH2 ARG 50 113.180 15.305 -17.508 362 H THR 51 H THR 51 116.158 17.399 -9.583 363 HA THR 51 HA THR 51 113.332 17.706 -8.779 364 HB THR 51 HB THR 51 115.654 19.191 -7.530 365 HG1 THR 51 HG1 THR 51 115.821 17.400 -6.451 366 HG21 THR 51 3HG2 THR 51 113.816 20.592 -7.279 367 HG22 THR 51 1HG2 THR 51 113.666 19.587 -5.838 368 HG23 THR 51 2HG2 THR 51 112.668 19.251 -7.251 369 H ALA 52 H ALA 52 112.305 19.501 -9.603 370 HA ALA 52 HA ALA 52 113.641 20.854 -11.795 371 HB1 ALA 52 1HB ALA 52 111.386 21.993 -12.022 372 HB2 ALA 52 2HB ALA 52 110.835 20.993 -10.678 373 HB3 ALA 52 3HB ALA 52 111.362 20.237 -12.181 374 H SER 53 H SER 53 115.197 22.184 -10.897 375 HA SER 53 HA SER 53 114.235 24.689 -9.821 376 HB2 SER 53 1HB SER 53 115.442 24.630 -7.741 377 HB3 SER 53 2HB SER 53 114.430 23.191 -7.806 378 HG SER 53 HG SER 53 116.323 22.308 -7.360 379 H SER 54 H SER 54 116.199 26.151 -9.330 380 HA SER 54 HA SER 54 117.807 26.361 -11.620 381 HB2 SER 54 1HB SER 54 118.366 27.492 -8.869 382 HB3 SER 54 2HB SER 54 119.051 28.056 -10.389 383 HG SER 54 HG SER 54 117.293 29.163 -10.673 384 H GLY 55 H GLY 55 118.431 24.825 -8.491 385 HA2 GLY 55 1HA GLY 55 121.186 24.254 -8.981 386 HA3 GLY 55 2HA GLY 55 120.173 23.507 -7.752 387 H ASP 56 H ASP 56 118.179 22.555 -9.619 388 HA ASP 56 HA ASP 56 117.673 20.899 -11.102 389 HB2 ASP 56 1HB ASP 56 119.675 21.683 -12.443 390 HB3 ASP 56 2HB ASP 56 120.603 20.430 -11.622 391 H TYR 57 H TYR 57 120.393 20.235 -8.902 392 HA TYR 57 HA TYR 57 119.203 17.568 -8.404 393 HB2 TYR 57 1HB TYR 57 121.466 17.502 -9.389 394 HB3 TYR 57 2HB TYR 57 122.065 18.466 -8.053 395 HD1 TYR 57 HD1 TYR 57 120.723 15.167 -9.047 396 HD2 TYR 57 HD2 TYR 57 122.469 17.491 -5.883 397 HE1 TYR 57 HE1 TYR 57 121.117 13.095 -7.742 398 HE2 TYR 57 HE2 TYR 57 122.863 15.418 -4.578 399 HH TYR 57 HH TYR 57 121.652 12.288 -5.694 400 H ASN 58 H ASN 58 118.373 17.261 -6.447 401 HA ASN 58 HA ASN 58 119.392 18.872 -4.183 402 HB2 ASN 58 1HB ASN 58 116.506 18.241 -4.829 403 HB3 ASN 58 2HB ASN 58 117.057 18.932 -3.307 404 HD21 ASN 58 1HD2 ASN 58 115.249 20.352 -5.001 405 HD22 ASN 58 2HD2 ASN 58 116.051 21.713 -5.623 406 H LYS 59 H LYS 59 119.120 17.867 -2.094 407 HA LYS 59 HA LYS 59 118.703 14.940 -2.195 408 HB2 LYS 59 1HB LYS 59 121.134 15.471 -2.274 409 HB3 LYS 59 2HB LYS 59 120.966 16.327 -0.741 410 HG2 LYS 59 1HG LYS 59 120.218 14.280 0.363 411 HG3 LYS 59 2HG LYS 59 120.271 13.406 -1.170 412 HD2 LYS 59 1HD LYS 59 122.303 12.898 0.034 413 HD3 LYS 59 2HD LYS 59 122.726 13.957 -1.311 414 HE2 LYS 59 1HE LYS 59 122.930 15.855 0.108 415 HE3 LYS 59 2HE LYS 59 122.119 15.038 1.443 416 HZ1 LYS 59 3HZ LYS 59 124.144 13.378 1.014 417 HZ2 LYS 59 1HZ LYS 59 124.222 14.675 2.105 418 HZ3 LYS 59 2HZ LYS 59 124.872 14.839 0.544 419 H ASN 60 H ASN 60 117.249 14.330 -0.762 420 HA ASN 60 HA ASN 60 116.924 15.891 1.738 421 HB2 ASN 60 1HB ASN 60 114.890 14.181 0.281 422 HB3 ASN 60 2HB ASN 60 114.613 15.053 1.789 423 HD21 ASN 60 1HD2 ASN 60 115.861 17.519 1.239 424 HD22 ASN 60 2HD2 ASN 60 115.062 18.276 -0.053 425 H GLN 61 H GLN 61 116.791 14.735 3.693 426 HA GLN 61 HA GLN 61 117.785 11.946 3.504 427 HB2 GLN 61 1HB GLN 61 119.308 13.600 4.594 428 HB3 GLN 61 2HB GLN 61 118.062 13.890 5.807 429 HG2 GLN 61 1HG GLN 61 118.112 11.528 6.461 430 HG3 GLN 61 2HG GLN 61 119.312 11.194 5.218 431 HE21 GLN 61 1HE2 GLN 61 120.070 10.529 7.764 432 HE22 GLN 61 2HE2 GLN 61 121.189 11.649 8.380 433 H TYR 62 H TYR 62 116.438 10.382 4.174 434 HA TYR 62 HA TYR 62 114.279 11.104 6.078 435 HB2 TYR 62 1HB TYR 62 113.459 10.739 3.744 436 HB3 TYR 62 2HB TYR 62 114.099 9.108 3.823 437 HD1 TYR 62 HD1 TYR 62 113.028 7.393 5.192 438 HD2 TYR 62 HD2 TYR 62 111.481 11.397 5.014 439 HE1 TYR 62 HE1 TYR 62 110.911 6.622 6.230 440 HE2 TYR 62 HE2 TYR 62 109.364 10.624 6.053 441 HH TYR 62 HH TYR 62 108.366 8.912 7.133 442 H TYR 63 H TYR 63 114.040 9.809 7.790 443 HA TYR 63 HA TYR 63 115.344 7.164 7.795 444 HB2 TYR 63 1HB TYR 63 116.856 8.789 8.882 445 HB3 TYR 63 2HB TYR 63 115.565 9.249 9.974 446 HD1 TYR 63 HD1 TYR 63 114.875 7.773 11.798 447 HD2 TYR 63 HD2 TYR 63 118.033 6.674 9.107 448 HE1 TYR 63 HE1 TYR 63 115.584 5.984 13.361 449 HE2 TYR 63 HE2 TYR 63 118.743 4.882 10.668 450 HH TYR 63 HH TYR 63 117.826 4.731 13.826 451 H GLY 64 H GLY 64 113.768 5.719 8.224 452 HA2 GLY 64 1HA GLY 64 111.683 6.476 10.197 453 HA3 GLY 64 2HA GLY 64 111.263 5.709 8.672 454 H ILE 65 H ILE 65 111.135 4.965 11.658 455 HA ILE 65 HA ILE 65 112.179 2.210 11.289 456 HB ILE 65 HB ILE 65 111.946 3.707 13.916 457 HG12 ILE 65 1HG1 ILE 65 114.452 2.860 12.432 458 HG13 ILE 65 2HG1 ILE 65 113.793 4.494 12.365 459 HG21 ILE 65 1HG2 ILE 65 113.079 1.755 14.848 460 HG22 ILE 65 2HG2 ILE 65 113.195 1.022 13.249 461 HG23 ILE 65 3HG2 ILE 65 111.619 1.230 14.011 462 HD11 ILE 65 3HD1 ILE 65 114.075 4.786 14.744 463 HD12 ILE 65 1HD1 ILE 65 115.600 4.179 14.100 464 HD13 ILE 65 2HD1 ILE 65 114.510 3.091 14.956 465 H THR 66 H THR 66 110.628 0.711 11.293 466 HA THR 66 HA THR 66 108.062 1.316 12.660 467 HB THR 66 HB THR 66 106.918 -0.009 10.959 468 HG1 THR 66 HG1 THR 66 108.647 -1.387 10.462 469 HG21 THR 66 3HG2 THR 66 108.579 2.337 10.129 470 HG22 THR 66 1HG2 THR 66 106.827 2.172 10.223 471 HG23 THR 66 2HG2 THR 66 107.709 1.449 8.881 472 H ALA 67 H ALA 67 107.041 -0.421 13.712 473 HA ALA 67 HA ALA 67 108.377 -3.031 13.698 474 HB1 ALA 67 1HB ALA 67 109.213 -1.558 15.647 475 HB2 ALA 67 2HB ALA 67 108.624 -3.172 16.042 476 HB3 ALA 67 3HB ALA 67 107.596 -1.766 16.321 477 H GLY 68 H GLY 68 106.933 -4.774 14.159 478 HA2 GLY 68 1HA GLY 68 104.252 -4.256 15.078 479 HA3 GLY 68 2HA GLY 68 104.325 -4.486 13.340 480 HA PRO 69 HA PRO 69 104.358 -8.748 15.120 481 HB2 PRO 69 1HB PRO 69 101.785 -9.316 15.705 482 HB3 PRO 69 2HB PRO 69 102.836 -8.462 16.851 483 HG2 PRO 69 1HG PRO 69 100.589 -7.452 15.274 484 HG3 PRO 69 2HG PRO 69 101.328 -6.798 16.745 485 HD2 PRO 69 1HD PRO 69 101.780 -5.978 14.002 486 HD3 PRO 69 2HD PRO 69 102.430 -5.257 15.491 487 H ALA 70 H ALA 70 104.609 -10.042 13.421 488 HA ALA 70 HA ALA 70 102.807 -10.132 11.159 489 HB1 ALA 70 1HB ALA 70 104.270 -11.998 10.413 490 HB2 ALA 70 2HB ALA 70 105.159 -11.874 11.931 491 HB3 ALA 70 3HB ALA 70 105.178 -10.533 10.787 492 H TYR 71 H TYR 71 101.313 -11.735 10.695 493 HA TYR 71 HA TYR 71 100.974 -13.897 12.690 494 HB2 TYR 71 1HB TYR 71 99.133 -12.185 12.688 495 HB3 TYR 71 2HB TYR 71 98.810 -12.610 11.017 496 HD1 TYR 71 HD1 TYR 71 98.825 -13.894 14.503 497 HD2 TYR 71 HD2 TYR 71 97.528 -14.544 10.459 498 HE1 TYR 71 HE1 TYR 71 97.343 -15.725 15.273 499 HE2 TYR 71 HE2 TYR 71 96.044 -16.375 11.230 500 HH TYR 71 HH TYR 71 95.997 -17.390 14.641 501 H ARG 72 H ARG 72 100.890 -15.962 11.844 502 HA ARG 72 HA ARG 72 101.816 -16.079 9.063 503 HB2 ARG 72 1HB ARG 72 103.183 -17.068 10.902 504 HB3 ARG 72 2HB ARG 72 101.890 -18.234 11.181 505 HG2 ARG 72 1HG ARG 72 102.093 -18.952 8.788 506 HG3 ARG 72 2HG ARG 72 103.487 -17.883 8.629 507 HD2 ARG 72 1HD ARG 72 103.246 -20.186 10.583 508 HD3 ARG 72 2HD ARG 72 104.207 -20.188 9.107 509 HE ARG 72 HE ARG 72 105.240 -18.072 10.354 510 HH11 ARG 72 1HH1 ARG 72 104.479 -21.244 11.655 511 HH12 ARG 72 2HH1 ARG 72 105.696 -21.139 12.883 512 HH21 ARG 72 1HH2 ARG 72 106.785 -17.996 11.958 513 HH22 ARG 72 2HH2 ARG 72 106.985 -19.325 13.050 514 H ILE 73 H ILE 73 100.236 -16.370 7.619 515 HA ILE 73 HA ILE 73 98.211 -18.444 8.079 516 HB ILE 73 HB ILE 73 98.575 -16.681 5.658 517 HG12 ILE 73 1HG1 ILE 73 98.110 -15.271 7.604 518 HG13 ILE 73 2HG1 ILE 73 96.682 -15.360 6.582 519 HG21 ILE 73 1HG2 ILE 73 96.026 -17.324 5.556 520 HG22 ILE 73 2HG2 ILE 73 96.534 -18.678 6.567 521 HG23 ILE 73 3HG2 ILE 73 97.243 -18.455 4.967 522 HD11 ILE 73 3HD1 ILE 73 96.339 -17.492 8.359 523 HD12 ILE 73 1HD1 ILE 73 95.554 -15.918 8.457 524 HD13 ILE 73 2HD1 ILE 73 97.040 -16.218 9.351 525 H ASN 74 H ASN 74 98.310 -20.418 7.140 526 HA ASN 74 HA ASN 74 100.848 -21.374 6.403 527 HB2 ASN 74 1HB ASN 74 98.136 -22.647 6.021 528 HB3 ASN 74 2HB ASN 74 99.681 -23.485 5.906 529 HD21 ASN 74 1HD2 ASN 74 101.077 -22.369 8.089 530 HD22 ASN 74 2HD2 ASN 74 100.277 -22.776 9.529 531 H ASP 75 H ASP 75 98.237 -20.125 4.392 532 HA ASP 75 HA ASP 75 99.647 -21.168 1.992 533 HB2 ASP 75 1HB ASP 75 97.445 -22.219 2.419 534 HB3 ASP 75 2HB ASP 75 96.691 -20.632 2.302 535 H TRP 76 H TRP 76 100.912 -19.210 1.919 536 HA TRP 76 HA TRP 76 101.410 -17.171 0.972 537 HB2 TRP 76 1HB TRP 76 100.663 -18.667 -0.917 538 HB3 TRP 76 2HB TRP 76 99.103 -17.874 -0.832 539 HD1 TRP 76 HD1 TRP 76 102.790 -17.143 -1.619 540 HE1 TRP 76 HE1 TRP 76 102.901 -15.097 -3.178 541 HE3 TRP 76 HE3 TRP 76 97.857 -15.820 -1.693 542 HZ2 TRP 76 HZ2 TRP 76 101.130 -13.156 -4.315 543 HZ3 TRP 76 HZ3 TRP 76 97.098 -13.877 -3.022 544 HH2 TRP 76 HH2 TRP 76 98.724 -12.542 -4.334 545 H ALA 77 H ALA 77 99.302 -17.062 3.116 546 HA ALA 77 HA ALA 77 97.841 -14.651 2.202 547 HB1 ALA 77 1HB ALA 77 96.848 -17.146 3.348 548 HB2 ALA 77 2HB ALA 77 95.991 -15.874 2.487 549 HB3 ALA 77 3HB ALA 77 96.271 -15.724 4.217 550 H SER 78 H SER 78 100.467 -14.800 3.725 551 HA SER 78 HA SER 78 99.852 -14.537 6.517 552 HB2 SER 78 1HB SER 78 102.360 -13.757 5.001 553 HB3 SER 78 2HB SER 78 102.214 -13.908 6.749 554 HG SER 78 HG SER 78 101.876 -16.088 6.509 555 H ILE 79 H ILE 79 100.054 -12.588 7.788 556 HA ILE 79 HA ILE 79 99.885 -10.073 6.274 557 HB ILE 79 HB ILE 79 97.821 -10.894 8.337 558 HG12 ILE 79 1HG1 ILE 79 97.504 -10.494 5.345 559 HG13 ILE 79 2HG1 ILE 79 97.601 -12.071 6.127 560 HG21 ILE 79 1HG2 ILE 79 96.742 -8.792 7.773 561 HG22 ILE 79 2HG2 ILE 79 97.941 -8.467 6.521 562 HG23 ILE 79 3HG2 ILE 79 98.414 -8.453 8.219 563 HD11 ILE 79 3HD1 ILE 79 95.468 -9.960 6.522 564 HD12 ILE 79 1HD1 ILE 79 95.631 -11.378 7.557 565 HD13 ILE 79 2HD1 ILE 79 95.266 -11.575 5.843 566 H TYR 80 H TYR 80 101.144 -8.588 7.210 567 HA TYR 80 HA TYR 80 101.343 -8.599 10.165 568 HB2 TYR 80 1HB TYR 80 103.665 -8.176 10.120 569 HB3 TYR 80 2HB TYR 80 103.399 -9.543 9.061 570 HD1 TYR 80 HD1 TYR 80 104.377 -6.013 9.285 571 HD2 TYR 80 HD2 TYR 80 103.743 -9.334 6.638 572 HE1 TYR 80 HE1 TYR 80 105.599 -4.815 7.491 573 HE2 TYR 80 HE2 TYR 80 104.963 -8.134 4.844 574 HH TYR 80 HH TYR 80 106.468 -4.967 5.447 575 H GLY 81 H GLY 81 101.376 -6.594 11.140 576 HA2 GLY 81 1HA GLY 81 101.105 -4.242 9.335 577 HA3 GLY 81 2HA GLY 81 100.005 -4.491 10.689 578 H VAL 82 H VAL 82 102.149 -2.389 10.005 579 HA VAL 82 HA VAL 82 103.575 -2.505 12.591 580 HB VAL 82 HB VAL 82 105.626 -1.691 11.461 581 HG11 VAL 82 1HG1 VAL 82 105.724 -3.997 11.857 582 HG12 VAL 82 2HG1 VAL 82 106.013 -3.900 10.121 583 HG13 VAL 82 3HG1 VAL 82 104.420 -4.349 10.723 584 HG21 VAL 82 3HG2 VAL 82 105.718 -2.012 8.951 585 HG22 VAL 82 1HG2 VAL 82 104.701 -0.672 9.480 586 HG23 VAL 82 2HG2 VAL 82 103.964 -2.192 8.977 587 H VAL 83 H VAL 83 104.216 -0.503 13.431 588 HA VAL 83 HA VAL 83 103.233 1.911 12.024 589 HB VAL 83 HB VAL 83 103.192 1.442 15.021 590 HG11 VAL 83 1HG1 VAL 83 103.493 3.761 14.650 591 HG12 VAL 83 2HG1 VAL 83 101.749 3.579 14.840 592 HG13 VAL 83 3HG1 VAL 83 102.448 3.754 13.230 593 HG21 VAL 83 3HG2 VAL 83 100.796 1.285 14.836 594 HG22 VAL 83 1HG2 VAL 83 101.472 0.149 13.669 595 HG23 VAL 83 2HG2 VAL 83 100.844 1.704 13.124 596 H GLY 84 H GLY 84 104.684 3.661 12.053 597 HA2 GLY 84 1HA GLY 84 107.144 3.364 13.619 598 HA3 GLY 84 2HA GLY 84 107.302 3.388 11.869 599 H VAL 85 H VAL 85 108.655 5.252 13.076 600 HA VAL 85 HA VAL 85 107.073 7.734 12.672 601 HB VAL 85 HB VAL 85 109.476 7.378 14.488 602 HG11 VAL 85 1HG1 VAL 85 109.230 9.629 13.469 603 HG12 VAL 85 2HG1 VAL 85 108.935 9.664 15.209 604 HG13 VAL 85 3HG1 VAL 85 107.579 9.711 14.084 605 HG21 VAL 85 3HG2 VAL 85 107.802 7.773 16.311 606 HG22 VAL 85 1HG2 VAL 85 107.527 6.260 15.446 607 HG23 VAL 85 2HG2 VAL 85 106.518 7.666 15.107 608 H GLY 86 H GLY 86 107.790 8.990 11.044 609 HA2 GLY 86 1HA GLY 86 110.487 8.401 9.930 610 HA3 GLY 86 2HA GLY 86 109.102 8.887 8.960 611 H TYR 87 H TYR 87 111.907 10.048 9.700 612 HA TYR 87 HA TYR 87 110.937 12.809 10.175 613 HB2 TYR 87 1HB TYR 87 113.587 11.591 10.971 614 HB3 TYR 87 2HB TYR 87 113.134 13.272 11.185 615 HD1 TYR 87 HD1 TYR 87 112.662 9.826 12.371 616 HD2 TYR 87 HD2 TYR 87 111.539 13.935 12.915 617 HE1 TYR 87 HE1 TYR 87 111.689 9.266 14.582 618 HE2 TYR 87 HE2 TYR 87 110.564 13.376 15.127 619 HH TYR 87 HH TYR 87 110.704 10.049 16.409 620 H GLY 88 H GLY 88 111.723 14.395 8.834 621 HA2 GLY 88 1HA GLY 88 113.556 13.542 6.662 622 HA3 GLY 88 2HA GLY 88 112.139 14.538 6.359 623 H LYS 89 H LYS 89 115.134 14.988 6.046 624 HA LYS 89 HA LYS 89 115.221 17.587 7.466 625 HB2 LYS 89 1HB LYS 89 117.509 15.674 6.949 626 HB3 LYS 89 2HB LYS 89 117.687 17.307 7.593 627 HG2 LYS 89 1HG LYS 89 116.185 16.684 9.486 628 HG3 LYS 89 2HG LYS 89 116.143 15.031 8.869 629 HD2 LYS 89 1HD LYS 89 118.632 14.941 9.061 630 HD3 LYS 89 2HD LYS 89 118.601 16.542 9.802 631 HE2 LYS 89 1HE LYS 89 117.071 15.631 11.569 632 HE3 LYS 89 2HE LYS 89 117.291 14.025 10.871 633 HZ1 LYS 89 3HZ LYS 89 119.311 15.759 12.158 634 HZ2 LYS 89 1HZ LYS 89 119.757 14.466 11.153 635 HZ3 LYS 89 2HZ LYS 89 118.866 14.174 12.570 636 H PHE 90 H PHE 90 115.766 19.332 6.256 637 HA PHE 90 HA PHE 90 116.265 18.849 3.375 638 HB2 PHE 90 1HB PHE 90 114.142 19.990 3.949 639 HB3 PHE 90 2HB PHE 90 115.058 21.261 4.733 640 HD1 PHE 90 HD1 PHE 90 114.223 19.687 1.493 641 HD2 PHE 90 HD2 PHE 90 116.176 22.973 3.454 642 HE1 PHE 90 HE1 PHE 90 114.410 20.871 -0.677 643 HE2 PHE 90 HE2 PHE 90 116.364 24.156 1.282 644 HZ PHE 90 HZ PHE 90 115.480 23.106 -0.784 645 H GLN 91 H GLN 91 118.105 19.569 2.501 646 HA GLN 91 HA GLN 91 119.882 21.247 4.159 647 HB2 GLN 91 1HB GLN 91 120.740 19.031 3.401 648 HB3 GLN 91 2HB GLN 91 120.563 19.571 1.732 649 HG2 GLN 91 1HG GLN 91 122.061 21.514 2.273 650 HG3 GLN 91 2HG GLN 91 122.342 20.795 3.857 651 HE21 GLN 91 1HE2 GLN 91 124.294 19.685 3.873 652 HE22 GLN 91 2HE2 GLN 91 124.914 18.783 2.575 653 H THR 92 H THR 92 120.214 23.305 3.594 654 HA THR 92 HA THR 92 119.094 24.299 1.096 655 HB THR 92 HB THR 92 120.528 25.813 3.293 656 HG1 THR 92 HG1 THR 92 118.481 26.195 4.081 657 HG21 THR 92 3HG2 THR 92 120.467 27.150 1.328 658 HG22 THR 92 1HG2 THR 92 119.094 27.687 2.295 659 HG23 THR 92 2HG2 THR 92 118.837 26.612 0.921 660 H THR 93 H THR 93 120.227 24.784 -0.683 661 HA THR 93 HA THR 93 123.005 24.080 -0.845 662 HB THR 93 HB THR 93 122.813 24.751 -3.194 663 HG1 THR 93 HG1 THR 93 120.630 25.473 -3.805 664 HG21 THR 93 3HG2 THR 93 120.469 23.192 -2.077 665 HG22 THR 93 1HG2 THR 93 122.002 22.543 -2.660 666 HG23 THR 93 2HG2 THR 93 120.862 23.267 -3.796 667 H GLU 94 H GLU 94 121.205 27.115 -0.657 668 HA GLU 94 HA GLU 94 123.410 28.791 -1.359 669 HB2 GLU 94 1HB GLU 94 121.013 29.467 -1.538 670 HB3 GLU 94 2HB GLU 94 120.935 29.521 0.224 671 HG2 GLU 94 1HG GLU 94 122.801 31.172 0.221 672 HG3 GLU 94 2HG GLU 94 122.777 31.166 -1.535 673 H TYR 95 H TYR 95 121.730 28.624 1.790 674 HA TYR 95 HA TYR 95 124.042 28.098 3.318 675 HB2 TYR 95 1HB TYR 95 124.345 30.530 2.355 676 HB3 TYR 95 2HB TYR 95 123.219 30.959 3.628 677 HD1 TYR 95 HD1 TYR 95 126.399 29.039 3.100 678 HD2 TYR 95 HD2 TYR 95 124.058 31.499 5.731 679 HE1 TYR 95 HE1 TYR 95 128.273 29.087 4.723 680 HE2 TYR 95 HE2 TYR 95 125.932 31.546 7.354 681 HH TYR 95 HH TYR 95 127.911 30.600 7.902 682 HA PRO 96 HA PRO 96 120.571 27.947 6.173 683 HB2 PRO 96 1HB PRO 96 121.791 26.967 8.365 684 HB3 PRO 96 2HB PRO 96 121.598 25.988 6.897 685 HG2 PRO 96 1HG PRO 96 124.006 27.277 7.997 686 HG3 PRO 96 2HG PRO 96 123.853 25.831 6.988 687 HD2 PRO 96 1HD PRO 96 124.539 28.464 6.126 688 HD3 PRO 96 2HD PRO 96 124.252 27.034 5.109 689 H THR 97 H THR 97 121.266 30.544 5.881 690 HA THR 97 HA THR 97 122.466 31.887 8.018 691 HB THR 97 HB THR 97 120.202 32.910 6.291 692 HG1 THR 97 HG1 THR 97 121.618 32.581 4.781 693 HG21 THR 97 3HG2 THR 97 121.088 35.092 6.786 694 HG22 THR 97 1HG2 THR 97 122.489 34.398 7.601 695 HG23 THR 97 2HG2 THR 97 120.887 34.254 8.323 696 H TYR 98 H TYR 98 119.073 30.948 7.538 697 HA TYR 98 HA TYR 98 118.240 32.214 10.004 698 HB2 TYR 98 1HB TYR 98 116.779 30.344 8.141 699 HB3 TYR 98 2HB TYR 98 116.053 31.173 9.505 700 HD1 TYR 98 HD1 TYR 98 115.964 33.707 9.493 701 HD2 TYR 98 HD2 TYR 98 117.054 31.399 6.037 702 HE1 TYR 98 HE1 TYR 98 115.498 35.662 8.040 703 HE2 TYR 98 HE2 TYR 98 116.589 33.356 4.585 704 HH TYR 98 HH TYR 98 116.205 36.484 5.785 705 H LYS 99 H LYS 99 118.247 28.826 8.853 706 HA LYS 99 HA LYS 99 118.790 27.965 11.625 707 HB2 LYS 99 1HB LYS 99 116.682 26.814 9.782 708 HB3 LYS 99 2HB LYS 99 117.173 26.107 11.322 709 HG2 LYS 99 1HG LYS 99 116.451 28.092 12.523 710 HG3 LYS 99 2HG LYS 99 116.090 28.920 11.009 711 HD2 LYS 99 1HD LYS 99 114.003 28.093 11.880 712 HD3 LYS 99 2HD LYS 99 114.431 27.084 10.499 713 HE2 LYS 99 1HE LYS 99 113.663 25.730 12.435 714 HE3 LYS 99 2HE LYS 99 115.330 25.366 11.995 715 HZ1 LYS 99 3HZ LYS 99 116.150 26.525 13.806 716 HZ2 LYS 99 1HZ LYS 99 114.779 25.759 14.447 717 HZ3 LYS 99 2HZ LYS 99 114.716 27.405 14.036 718 H HIS 100 H HIS 100 120.017 26.107 11.827 719 HA HIS 100 HA HIS 100 121.885 25.487 9.848 720 HB2 HIS 100 1HB HIS 100 120.915 23.756 12.125 721 HB3 HIS 100 2HB HIS 100 122.378 23.484 11.199 722 HD1 HIS 100 HD1 HIS 100 124.151 25.605 11.335 723 HD2 HIS 100 HD2 HIS 100 121.302 25.306 14.363 724 HE1 HIS 100 HE1 HIS 100 124.999 27.016 13.256 725 H ASP 101 H ASP 101 118.797 23.941 10.629 726 HA ASP 101 HA ASP 101 118.586 22.860 7.961 727 HB2 ASP 101 1HB ASP 101 120.058 21.209 9.177 728 HB3 ASP 101 2HB ASP 101 118.703 20.901 10.263 729 H THR 102 H THR 102 116.504 21.656 7.692 730 HA THR 102 HA THR 102 114.463 22.596 9.631 731 HB THR 102 HB THR 102 114.104 22.040 6.675 732 HG1 THR 102 HG1 THR 102 114.664 24.028 6.381 733 HG21 THR 102 3HG2 THR 102 112.117 21.740 8.201 734 HG22 THR 102 1HG2 THR 102 111.910 22.994 6.981 735 HG23 THR 102 2HG2 THR 102 112.280 23.437 8.646 736 H SER 103 H SER 103 113.084 21.086 10.470 737 HA SER 103 HA SER 103 113.263 18.329 9.419 738 HB2 SER 103 1HB SER 103 113.555 17.443 11.656 739 HB3 SER 103 2HB SER 103 114.841 18.596 11.318 740 HG SER 103 HG SER 103 113.896 20.043 12.640 741 H ASP 104 H ASP 104 111.535 16.977 9.920 742 HA ASP 104 HA ASP 104 109.295 17.894 11.489 743 HB2 ASP 104 1HB ASP 104 107.652 17.833 9.679 744 HB3 ASP 104 2HB ASP 104 108.873 19.056 9.347 745 H TYR 105 H TYR 105 107.625 16.169 11.649 746 HA TYR 105 HA TYR 105 108.706 13.504 10.946 747 HB2 TYR 105 1HB TYR 105 108.184 12.675 13.132 748 HB3 TYR 105 2HB TYR 105 109.221 14.077 13.296 749 HD1 TYR 105 HD1 TYR 105 108.288 16.232 14.115 750 HD2 TYR 105 HD2 TYR 105 105.935 12.640 13.976 751 HE1 TYR 105 HE1 TYR 105 106.629 17.258 15.648 752 HE2 TYR 105 HE2 TYR 105 104.278 13.666 15.509 753 HH TYR 105 HH TYR 105 104.152 16.939 16.154 754 H GLY 106 H GLY 106 107.183 11.822 10.760 755 HA2 GLY 106 1HA GLY 106 104.341 12.576 10.785 756 HA3 GLY 106 2HA GLY 106 105.026 11.920 9.297 757 H PHE 107 H PHE 107 102.962 10.540 10.461 758 HA PHE 107 HA PHE 107 104.258 8.310 11.925 759 HB2 PHE 107 1HB PHE 107 101.361 9.146 11.753 760 HB3 PHE 107 2HB PHE 107 101.917 7.672 12.520 761 HD1 PHE 107 HD1 PHE 107 103.551 7.880 14.489 762 HD2 PHE 107 HD2 PHE 107 101.314 11.193 12.917 763 HE1 PHE 107 HE1 PHE 107 103.920 9.131 16.597 764 HE2 PHE 107 HE2 PHE 107 101.686 12.445 15.025 765 HZ PHE 107 HZ PHE 107 102.989 11.413 16.866 766 H SER 108 H SER 108 104.534 6.439 10.875 767 HA SER 108 HA SER 108 103.192 6.127 8.252 768 HB2 SER 108 1HB SER 108 105.716 4.889 9.364 769 HB3 SER 108 2HB SER 108 105.005 4.479 7.808 770 HG SER 108 HG SER 108 106.700 6.200 7.917 771 H TYR 109 H TYR 109 101.859 4.481 7.865 772 HA TYR 109 HA TYR 109 101.817 2.192 9.751 773 HB2 TYR 109 1HB TYR 109 99.835 3.659 10.066 774 HB3 TYR 109 2HB TYR 109 99.443 3.463 8.369 775 HD1 TYR 109 HD1 TYR 109 99.563 1.822 11.664 776 HD2 TYR 109 HD2 TYR 109 98.480 1.393 7.531 777 HE1 TYR 109 HE1 TYR 109 98.270 -0.223 12.216 778 HE2 TYR 109 HE2 TYR 109 97.187 -0.651 8.081 779 HH TYR 109 HH TYR 109 96.231 -1.803 9.834 780 H GLY 110 H GLY 110 101.949 0.204 8.741 781 HA2 GLY 110 1HA GLY 110 101.512 0.115 5.827 782 HA3 GLY 110 2HA GLY 110 103.103 -0.313 6.448 783 H ALA 111 H ALA 111 101.344 -1.980 4.961 784 HA ALA 111 HA ALA 111 101.340 -4.248 6.816 785 HB1 ALA 111 1HB ALA 111 99.017 -3.403 6.870 786 HB2 ALA 111 2HB ALA 111 99.110 -4.990 6.103 787 HB3 ALA 111 3HB ALA 111 98.934 -3.541 5.113 788 H GLY 112 H GLY 112 101.603 -6.262 5.761 789 HA2 GLY 112 1HA GLY 112 101.915 -6.233 2.849 790 HA3 GLY 112 2HA GLY 112 103.368 -6.533 3.793 791 H LEU 113 H LEU 113 102.421 -8.324 1.944 792 HA LEU 113 HA LEU 113 101.332 -10.546 3.555 793 HB2 LEU 113 1HB LEU 113 101.414 -10.271 0.540 794 HB3 LEU 113 2HB LEU 113 100.664 -11.582 1.447 795 HG LEU 113 HG LEU 113 99.846 -8.667 1.627 796 HD11 LEU 113 1HD1 LEU 113 99.348 -9.834 -0.567 797 HD12 LEU 113 2HD1 LEU 113 97.923 -9.273 0.307 798 HD13 LEU 113 3HD1 LEU 113 98.366 -10.980 0.346 799 HD21 LEU 113 3HD2 LEU 113 98.739 -11.224 2.823 800 HD22 LEU 113 1HD2 LEU 113 97.840 -9.706 2.782 801 HD23 LEU 113 2HD2 LEU 113 99.347 -9.814 3.691 802 H GLN 114 H GLN 114 102.397 -12.639 3.360 803 HA GLN 114 HA GLN 114 105.173 -12.441 2.344 804 HB2 GLN 114 1HB GLN 114 105.123 -11.897 4.780 805 HB3 GLN 114 2HB GLN 114 104.442 -13.497 5.081 806 HG2 GLN 114 1HG GLN 114 106.415 -14.548 4.068 807 HG3 GLN 114 2HG GLN 114 107.092 -12.964 3.711 808 HE21 GLN 114 1HE2 GLN 114 108.677 -14.582 5.253 809 HE22 GLN 114 2HE2 GLN 114 108.663 -14.081 6.875 810 H PHE 115 H PHE 115 105.907 -14.227 1.346 811 HA PHE 115 HA PHE 115 104.819 -16.832 2.138 812 HB2 PHE 115 1HB PHE 115 104.469 -17.542 -0.156 813 HB3 PHE 115 2HB PHE 115 103.463 -16.150 0.193 814 HD1 PHE 115 HD1 PHE 115 104.062 -13.915 -0.743 815 HD2 PHE 115 HD2 PHE 115 106.188 -17.489 -1.819 816 HE1 PHE 115 HE1 PHE 115 105.006 -12.758 -2.724 817 HE2 PHE 115 HE2 PHE 115 107.132 -16.331 -3.799 818 HZ PHE 115 HZ PHE 115 106.542 -13.966 -4.250 819 H ASN 116 H ASN 116 106.483 -18.294 2.304 820 HA ASN 116 HA ASN 116 109.060 -17.536 1.087 821 HB2 ASN 116 1HB ASN 116 110.175 -17.768 3.268 822 HB3 ASN 116 2HB ASN 116 109.011 -16.446 3.246 823 HD21 ASN 116 1HD2 ASN 116 109.908 -19.314 4.906 824 HD22 ASN 116 2HD2 ASN 116 108.522 -19.452 5.878 825 HA PRO 117 HA PRO 117 109.882 -21.936 1.678 826 HB2 PRO 117 1HB PRO 117 111.230 -22.284 -0.719 827 HB3 PRO 117 2HB PRO 117 109.497 -22.581 -0.501 828 HG2 PRO 117 1HG PRO 117 110.754 -20.565 -2.069 829 HG3 PRO 117 2HG PRO 117 109.025 -20.869 -1.849 830 HD2 PRO 117 1HD PRO 117 110.749 -18.855 -0.519 831 HD3 PRO 117 2HD PRO 117 108.987 -18.849 -0.768 832 H MET 118 H MET 118 112.235 -22.953 1.494 833 HA MET 118 HA MET 118 114.030 -21.425 2.974 834 HB2 MET 118 1HB MET 118 114.589 -23.727 1.092 835 HB3 MET 118 2HB MET 118 115.738 -23.098 2.273 836 HG2 MET 118 1HG MET 118 114.032 -23.543 4.068 837 HG3 MET 118 2HG MET 118 113.037 -24.342 2.853 838 HE1 MET 118 3HE MET 118 115.017 -27.328 1.683 839 HE2 MET 118 1HE MET 118 115.499 -25.761 1.021 840 HE3 MET 118 2HE MET 118 113.800 -26.101 1.343 841 H GLU 119 H GLU 119 116.384 -21.036 2.133 842 HA GLU 119 HA GLU 119 117.846 -19.887 0.812 843 HB2 GLU 119 1HB GLU 119 115.944 -20.697 -1.395 844 HB3 GLU 119 2HB GLU 119 117.555 -20.026 -1.634 845 HG2 GLU 119 1HG GLU 119 116.941 -22.576 -0.118 846 HG3 GLU 119 2HG GLU 119 117.556 -22.500 -1.765 847 H ASN 120 H ASN 120 117.758 -18.159 -1.140 848 HA ASN 120 HA ASN 120 116.761 -15.774 -0.033 849 HB2 ASN 120 1HB ASN 120 117.700 -16.338 -2.849 850 HB3 ASN 120 2HB ASN 120 117.519 -14.741 -2.125 851 HD21 ASN 120 1HD2 ASN 120 118.708 -14.762 0.253 852 HD22 ASN 120 2HD2 ASN 120 120.298 -15.353 0.192 853 H VAL 121 H VAL 121 114.978 -18.100 -1.668 854 HA VAL 121 HA VAL 121 113.642 -16.418 -3.563 855 HB VAL 121 HB VAL 121 112.355 -18.468 -4.106 856 HG11 VAL 121 1HG1 VAL 121 114.196 -19.548 -5.150 857 HG12 VAL 121 2HG1 VAL 121 115.305 -19.077 -3.863 858 HG13 VAL 121 3HG1 VAL 121 114.694 -17.864 -4.987 859 HG21 VAL 121 3HG2 VAL 121 112.618 -19.301 -1.632 860 HG22 VAL 121 1HG2 VAL 121 114.162 -19.935 -2.199 861 HG23 VAL 121 2HG2 VAL 121 112.661 -20.484 -2.941 862 H ALA 122 H ALA 122 113.181 -15.997 -0.490 863 HA ALA 122 HA ALA 122 110.237 -16.337 -0.508 864 HB1 ALA 122 1HB ALA 122 110.555 -15.691 1.961 865 HB2 ALA 122 2HB ALA 122 112.280 -15.915 1.675 866 HB3 ALA 122 3HB ALA 122 111.171 -17.268 1.467 867 H LEU 123 H LEU 123 108.862 -14.494 -0.220 868 HA LEU 123 HA LEU 123 110.240 -11.903 -0.601 869 HB2 LEU 123 1HB LEU 123 108.065 -13.021 -2.379 870 HB3 LEU 123 2HB LEU 123 108.637 -11.356 -2.414 871 HG LEU 123 HG LEU 123 111.016 -12.581 -2.650 872 HD11 LEU 123 1HD1 LEU 123 110.428 -14.848 -2.634 873 HD12 LEU 123 2HD1 LEU 123 110.529 -14.498 -4.357 874 HD13 LEU 123 3HD1 LEU 123 108.956 -14.574 -3.562 875 HD21 LEU 123 3HD2 LEU 123 109.721 -10.985 -4.244 876 HD22 LEU 123 1HD2 LEU 123 109.253 -12.459 -5.093 877 HD23 LEU 123 2HD2 LEU 123 110.958 -12.032 -4.941 878 H ASP 124 H ASP 124 109.033 -10.065 -0.127 879 HA ASP 124 HA ASP 124 106.368 -10.464 1.065 880 HB2 ASP 124 1HB ASP 124 108.153 -10.363 2.855 881 HB3 ASP 124 2HB ASP 124 108.488 -8.714 2.324 882 H PHE 125 H PHE 125 104.934 -8.816 0.638 883 HA PHE 125 HA PHE 125 105.982 -6.452 -0.825 884 HB2 PHE 125 1HB PHE 125 103.408 -7.961 -1.317 885 HB3 PHE 125 2HB PHE 125 103.860 -6.457 -2.098 886 HD1 PHE 125 HD2 PHE 125 105.601 -6.405 -3.818 887 HD2 PHE 125 HD1 PHE 125 104.477 -10.074 -1.888 888 HE1 PHE 125 HE2 PHE 125 106.783 -7.693 -5.576 889 HE2 PHE 125 HE1 PHE 125 105.661 -11.362 -3.645 890 HZ PHE 125 HZ PHE 125 106.813 -10.171 -5.490 891 H SER 126 H SER 126 105.290 -4.483 -0.061 892 HA SER 126 HA SER 126 103.114 -4.473 1.930 893 HB2 SER 126 1HB SER 126 104.448 -3.337 3.575 894 HB3 SER 126 2HB SER 126 105.304 -4.798 3.099 895 HG SER 126 HG SER 126 106.546 -2.764 3.163 896 H TYR 127 H TYR 127 102.166 -2.450 2.309 897 HA TYR 127 HA TYR 127 103.017 -0.244 0.532 898 HB2 TYR 127 1HB TYR 127 100.720 0.390 0.246 899 HB3 TYR 127 2HB TYR 127 100.888 -1.297 -0.197 900 HD1 TYR 127 HD2 TYR 127 99.878 -3.062 1.166 901 HD2 TYR 127 HD1 TYR 127 99.480 1.082 2.225 902 HE1 TYR 127 HE2 TYR 127 98.054 -3.640 2.745 903 HE2 TYR 127 HE1 TYR 127 97.658 0.504 3.804 904 HH TYR 127 HH TYR 127 97.040 -2.630 4.828 905 H GLU 128 H GLU 128 103.108 1.767 1.438 906 HA GLU 128 HA GLU 128 102.657 1.931 4.364 907 HB2 GLU 128 1HB GLU 128 105.064 1.882 3.672 908 HB3 GLU 128 2HB GLU 128 104.780 3.360 2.754 909 HG2 GLU 128 1HG GLU 128 104.018 4.474 4.846 910 HG3 GLU 128 2HG GLU 128 104.416 3.014 5.741 911 H GLN 129 H GLN 129 101.589 3.704 5.134 912 HA GLN 129 HA GLN 129 100.755 5.750 3.158 913 HB2 GLN 129 1HB GLN 129 98.939 4.141 3.779 914 HB3 GLN 129 2HB GLN 129 99.096 4.685 5.450 915 HG2 GLN 129 1HG GLN 129 97.334 5.993 4.532 916 HG3 GLN 129 2HG GLN 129 98.738 7.059 4.551 917 HE21 GLN 129 1HE2 GLN 129 99.090 8.128 2.607 918 HE22 GLN 129 2HE2 GLN 129 98.588 7.574 1.084 919 H SER 130 H SER 130 101.073 7.783 3.699 920 HA SER 130 HA SER 130 101.537 8.495 6.531 921 HB2 SER 130 1HB SER 130 102.517 10.091 4.161 922 HB3 SER 130 2HB SER 130 102.975 10.263 5.849 923 HG SER 130 HG SER 130 104.553 9.108 4.690 924 H ARG 131 H ARG 131 100.555 10.553 7.188 925 HA ARG 131 HA ARG 131 97.846 10.303 6.135 926 HB2 ARG 131 1HB ARG 131 97.092 11.164 8.250 927 HB3 ARG 131 2HB ARG 131 98.315 9.940 8.564 928 HG2 ARG 131 1HG ARG 131 100.007 11.791 8.797 929 HG3 ARG 131 2HG ARG 131 98.683 12.948 8.666 930 HD2 ARG 131 1HD ARG 131 97.576 11.790 10.610 931 HD3 ARG 131 2HD ARG 131 99.039 10.827 10.798 932 HE ARG 131 HE ARG 131 98.657 13.510 11.670 933 HH11 ARG 131 1HH1 ARG 131 101.126 11.404 10.335 934 HH12 ARG 131 2HH1 ARG 131 102.421 12.346 10.994 935 HH21 ARG 131 1HH2 ARG 131 100.364 14.677 12.495 936 HH22 ARG 131 2HH2 ARG 131 101.996 14.173 12.200 937 H ILE 132 H ILE 132 96.444 12.339 5.960 938 HA ILE 132 HA ILE 132 98.064 13.348 3.770 939 HB ILE 132 HB ILE 132 95.066 13.341 4.203 940 HG12 ILE 132 1HG1 ILE 132 96.717 11.591 2.367 941 HG13 ILE 132 2HG1 ILE 132 96.283 11.096 4.001 942 HG21 ILE 132 1HG2 ILE 132 96.817 14.246 1.936 943 HG22 ILE 132 2HG2 ILE 132 95.359 14.995 2.580 944 HG23 ILE 132 3HG2 ILE 132 95.236 13.554 1.575 945 HD11 ILE 132 3HD1 ILE 132 94.691 10.264 2.249 946 HD12 ILE 132 1HD1 ILE 132 94.271 11.941 1.901 947 HD13 ILE 132 2HD1 ILE 132 93.920 11.255 3.486 948 H ARG 133 H ARG 133 99.159 14.984 4.760 949 HA ARG 133 HA ARG 133 97.800 17.556 4.959 950 HB2 ARG 133 1HB ARG 133 100.737 16.810 4.782 951 HB3 ARG 133 2HB ARG 133 100.127 18.452 4.984 952 HG2 ARG 133 1HG ARG 133 98.976 17.717 7.079 953 HG3 ARG 133 2HG ARG 133 99.733 16.134 6.900 954 HD2 ARG 133 1HD ARG 133 101.180 18.780 7.215 955 HD3 ARG 133 2HD ARG 133 101.047 17.516 8.433 956 HE ARG 133 HE ARG 133 102.842 17.561 6.180 957 HH11 ARG 133 1HH1 ARG 133 101.156 15.429 8.401 958 HH12 ARG 133 2HH1 ARG 133 102.289 14.137 8.178 959 HH21 ARG 133 1HH2 ARG 133 104.269 15.863 5.933 960 HH22 ARG 133 2HH2 ARG 133 104.028 14.382 6.797 961 H SER 134 H SER 134 99.163 19.204 3.300 962 HA SER 134 HA SER 134 97.917 18.826 0.850 963 HB2 SER 134 1HB SER 134 99.293 20.631 0.014 964 HB3 SER 134 2HB SER 134 98.857 20.971 1.686 965 HG SER 134 HG SER 134 101.278 19.788 0.774 966 H VAL 135 H VAL 135 100.822 17.246 1.933 967 HA VAL 135 HA VAL 135 101.085 16.089 -0.785 968 HB VAL 135 HB VAL 135 103.382 15.449 -0.137 969 HG11 VAL 135 1HG1 VAL 135 102.976 17.576 -1.322 970 HG12 VAL 135 2HG1 VAL 135 104.336 17.722 -0.208 971 HG13 VAL 135 3HG1 VAL 135 102.764 18.396 0.226 972 HG21 VAL 135 3HG2 VAL 135 103.126 15.301 2.277 973 HG22 VAL 135 1HG2 VAL 135 102.703 17.011 2.375 974 HG23 VAL 135 2HG2 VAL 135 104.338 16.531 1.920 975 H ASP 136 H ASP 136 100.667 13.972 -1.006 976 HA ASP 136 HA ASP 136 100.049 12.400 1.427 977 HB2 ASP 136 1HB ASP 136 99.121 12.013 -1.433 978 HB3 ASP 136 2HB ASP 136 98.663 11.007 -0.063 979 H VAL 137 H VAL 137 101.080 10.371 1.746 980 HA VAL 137 HA VAL 137 103.197 9.766 -0.267 981 HB VAL 137 HB VAL 137 103.109 8.831 2.601 982 HG11 VAL 137 1HG1 VAL 137 104.428 7.454 1.036 983 HG12 VAL 137 2HG1 VAL 137 105.472 8.298 2.178 984 HG13 VAL 137 3HG1 VAL 137 105.315 8.889 0.524 985 HG21 VAL 137 3HG2 VAL 137 104.602 11.162 1.347 986 HG22 VAL 137 1HG2 VAL 137 104.889 10.547 2.974 987 HG23 VAL 137 2HG2 VAL 137 103.335 11.276 2.569 988 H GLY 138 H GLY 138 102.840 8.089 -1.541 989 HA2 GLY 138 1HA GLY 138 101.527 5.695 -0.379 990 HA3 GLY 138 2HA GLY 138 101.270 6.192 -2.053 991 H THR 139 H THR 139 103.080 4.133 -0.134 992 HA THR 139 HA THR 139 105.275 4.057 -2.129 993 HB THR 139 HB THR 139 105.567 3.478 0.819 994 HG1 THR 139 HG1 THR 139 106.448 5.732 -0.652 995 HG21 THR 139 3HG2 THR 139 107.431 3.602 -1.546 996 HG22 THR 139 1HG2 THR 139 107.241 2.306 -0.366 997 HG23 THR 139 2HG2 THR 139 108.026 3.815 0.101 998 H TRP 140 H TRP 140 105.705 2.147 -3.008 999 HA TRP 140 HA TRP 140 104.466 -0.274 -1.811 1000 HB2 TRP 140 1HB TRP 140 105.130 0.357 -4.693 1001 HB3 TRP 140 2HB TRP 140 104.603 -1.214 -4.121 1002 HD1 TRP 140 HD1 TRP 140 103.362 2.146 -5.190 1003 HE1 TRP 140 HE1 TRP 140 100.788 2.204 -5.078 1004 HE3 TRP 140 HE3 TRP 140 102.491 -2.206 -2.663 1005 HZ2 TRP 140 HZ2 TRP 140 98.640 0.614 -4.052 1006 HZ3 TRP 140 HZ3 TRP 140 100.179 -2.908 -2.134 1007 HH2 TRP 140 HH2 TRP 140 98.252 -1.508 -2.822 1008 H ILE 141 H ILE 141 105.830 -1.907 -1.240 1009 HA ILE 141 HA ILE 141 108.693 -1.599 -1.949 1010 HB ILE 141 HB ILE 141 107.565 -2.588 0.685 1011 HG12 ILE 141 1HG1 ILE 141 109.037 0.005 0.170 1012 HG13 ILE 141 2HG1 ILE 141 107.278 -0.087 0.208 1013 HG21 ILE 141 1HG2 ILE 141 109.719 -3.580 0.175 1014 HG22 ILE 141 2HG2 ILE 141 109.961 -2.330 1.394 1015 HG23 ILE 141 3HG2 ILE 141 110.378 -2.011 -0.289 1016 HD11 ILE 141 3HD1 ILE 141 107.240 -0.695 2.484 1017 HD12 ILE 141 1HD1 ILE 141 108.500 0.533 2.405 1018 HD13 ILE 141 2HD1 ILE 141 108.935 -1.173 2.483 1019 H ALA 142 H ALA 142 109.665 -3.374 -2.751 1020 HA ALA 142 HA ALA 142 108.401 -6.017 -2.269 1021 HB1 ALA 142 1HB ALA 142 109.863 -5.221 -4.798 1022 HB2 ALA 142 2HB ALA 142 108.107 -5.174 -4.640 1023 HB3 ALA 142 3HB ALA 142 108.964 -6.710 -4.500 1024 H GLY 143 H GLY 143 109.758 -7.412 -1.265 1025 HA2 GLY 143 1HA GLY 143 112.673 -6.945 -1.505 1026 HA3 GLY 143 2HA GLY 143 111.921 -7.056 0.081 1027 H VAL 144 H VAL 144 113.987 -8.719 -1.029 1028 HA VAL 144 HA VAL 144 112.627 -11.350 -0.956 1029 HB VAL 144 HB VAL 144 114.496 -12.219 -2.335 1030 HG11 VAL 144 1HG1 VAL 144 112.643 -11.735 -3.669 1031 HG12 VAL 144 2HG1 VAL 144 113.887 -10.746 -4.432 1032 HG13 VAL 144 3HG1 VAL 144 112.725 -10.008 -3.330 1033 HG21 VAL 144 3HG2 VAL 144 116.000 -10.598 -3.455 1034 HG22 VAL 144 1HG2 VAL 144 116.194 -10.543 -1.703 1035 HG23 VAL 144 2HG2 VAL 144 115.269 -9.288 -2.528 1036 H GLY 145 H GLY 145 113.665 -12.944 0.332 1037 HA2 GLY 145 1HA GLY 145 115.948 -12.062 1.943 1038 HA3 GLY 145 2HA GLY 145 114.438 -12.374 2.782 1039 H TYR 146 H TYR 146 116.446 -13.684 3.645 1040 HA TYR 146 HA TYR 146 116.215 -16.458 2.656 1041 HB2 TYR 146 1HB TYR 146 118.375 -15.560 1.998 1042 HB3 TYR 146 2HB TYR 146 118.663 -14.970 3.619 1043 HD1 TYR 146 HD1 TYR 146 118.296 -18.041 1.558 1044 HD2 TYR 146 HD2 TYR 146 119.622 -16.368 5.284 1045 HE1 TYR 146 HE1 TYR 146 119.427 -20.177 2.114 1046 HE2 TYR 146 HE2 TYR 146 120.753 -18.503 5.841 1047 HH TYR 146 HH TYR 146 120.473 -21.339 3.716 1048 H ARG 147 H ARG 147 116.496 -18.067 4.346 1049 HA ARG 147 HA ARG 147 115.811 -17.017 7.035 1050 HB2 ARG 147 1HB ARG 147 114.877 -19.550 5.666 1051 HB3 ARG 147 2HB ARG 147 114.518 -19.116 7.337 1052 HG2 ARG 147 1HG ARG 147 113.463 -17.000 6.506 1053 HG3 ARG 147 2HG ARG 147 113.704 -17.578 4.855 1054 HD2 ARG 147 1HD ARG 147 112.072 -18.948 7.006 1055 HD3 ARG 147 2HD ARG 147 111.432 -18.106 5.600 1056 HE ARG 147 HE ARG 147 112.983 -19.945 4.430 1057 HH11 ARG 147 1HH1 ARG 147 110.693 -20.323 7.067 1058 HH12 ARG 147 2HH1 ARG 147 110.336 -21.966 6.653 1059 HH21 ARG 147 1HH2 ARG 147 112.474 -22.069 3.947 1060 HH22 ARG 147 2HH2 ARG 147 111.331 -22.939 4.912 1061 H PHE 148 H PHE 148 116.645 -18.085 8.843 1062 HA PHE 148 HA PHE 148 118.297 -19.110 10.057 1063 HB2 PHE 148 1HB PHE 148 117.044 -21.088 9.281 1064 HB3 PHE 148 2HB PHE 148 118.065 -21.166 7.859 1065 HD1 PHE 148 HD1 PHE 148 117.967 -21.557 11.539 1066 HD2 PHE 148 HD2 PHE 148 120.285 -22.094 7.962 1067 HE1 PHE 148 HE1 PHE 148 119.588 -22.950 12.797 1068 HE2 PHE 148 HE2 PHE 148 121.905 -23.486 9.219 1069 HZ PHE 148 HZ PHE 148 121.558 -23.914 11.638 Start of MODEL 10 1 H1 ALA 1 3H ALA 1 118.145 -20.454 17.831 2 H2 ALA 1 2H ALA 1 117.972 -19.533 19.248 3 H3 ALA 1 HT3 ALA 1 118.819 -18.900 17.918 4 HA ALA 1 HA ALA 1 115.952 -19.635 17.797 5 HB1 ALA 1 2HB ALA 1 116.897 -16.800 18.004 6 HB2 ALA 1 3HB ALA 1 116.742 -17.748 19.481 7 HB3 ALA 1 1HB ALA 1 115.338 -17.493 18.447 8 H THR 2 H THR 2 115.141 -19.400 15.782 9 HA THR 2 HA THR 2 116.987 -18.799 13.626 10 HB THR 2 HB THR 2 115.151 -19.499 12.159 11 HG1 THR 2 HG1 THR 2 113.282 -20.358 13.493 12 HG21 THR 2 3HG2 THR 2 114.851 -21.815 13.108 13 HG22 THR 2 1HG2 THR 2 115.634 -21.250 14.584 14 HG23 THR 2 2HG2 THR 2 116.525 -21.268 13.061 15 H SER 3 H SER 3 116.237 -17.379 11.812 16 HA SER 3 HA SER 3 114.531 -15.152 12.508 17 HB2 SER 3 1HB SER 3 116.582 -14.526 13.703 18 HB3 SER 3 2HB SER 3 117.518 -14.742 12.228 19 HG SER 3 HG SER 3 116.907 -12.551 12.593 20 H THR 4 H THR 4 114.191 -13.706 10.733 21 HA THR 4 HA THR 4 115.216 -14.660 8.128 22 HB THR 4 HB THR 4 112.398 -13.694 8.683 23 HG1 THR 4 HG1 THR 4 112.273 -15.674 9.404 24 HG21 THR 4 3HG2 THR 4 113.365 -13.260 6.402 25 HG22 THR 4 1HG2 THR 4 111.966 -14.334 6.392 26 HG23 THR 4 2HG2 THR 4 113.590 -15.001 6.224 27 H VAL 5 H VAL 5 115.775 -13.077 6.690 28 HA VAL 5 HA VAL 5 115.364 -10.264 7.531 29 HB VAL 5 HB VAL 5 117.630 -9.761 6.676 30 HG11 VAL 5 1HG1 VAL 5 117.423 -10.115 9.048 31 HG12 VAL 5 2HG1 VAL 5 118.876 -10.966 8.524 32 HG13 VAL 5 3HG1 VAL 5 117.392 -11.867 8.840 33 HG21 VAL 5 3HG2 VAL 5 117.785 -12.778 6.394 34 HG22 VAL 5 1HG2 VAL 5 119.175 -11.696 6.296 35 HG23 VAL 5 2HG2 VAL 5 117.893 -11.594 5.092 36 H THR 6 H THR 6 114.753 -8.879 5.945 37 HA THR 6 HA THR 6 114.692 -9.909 3.166 38 HB THR 6 HB THR 6 112.508 -8.945 2.834 39 HG1 THR 6 HG1 THR 6 111.483 -8.116 4.857 40 HG21 THR 6 3HG2 THR 6 112.329 -11.165 3.683 41 HG22 THR 6 1HG2 THR 6 111.159 -10.209 4.586 42 HG23 THR 6 2HG2 THR 6 112.695 -10.648 5.330 43 H GLY 7 H GLY 7 115.202 -8.449 1.586 44 HA2 GLY 7 1HA GLY 7 115.519 -5.608 2.390 45 HA3 GLY 7 2HA GLY 7 116.701 -6.418 1.357 46 H GLY 8 H GLY 8 114.706 -4.124 0.891 47 HA2 GLY 8 1HA GLY 8 113.691 -5.158 -1.658 48 HA3 GLY 8 2HA GLY 8 112.496 -4.587 -0.503 49 H TYR 9 H TYR 9 112.543 -3.462 -2.892 50 HA TYR 9 HA TYR 9 113.755 -0.792 -2.460 51 HB2 TYR 9 1HB TYR 9 114.819 -2.028 -4.342 52 HB3 TYR 9 2HB TYR 9 113.245 -2.174 -5.101 53 HD1 TYR 9 HD1 TYR 9 112.160 -0.238 -6.134 54 HD2 TYR 9 HD2 TYR 9 116.012 0.095 -4.263 55 HE1 TYR 9 HE1 TYR 9 112.501 1.960 -7.229 56 HE2 TYR 9 HE2 TYR 9 116.353 2.294 -5.356 57 HH TYR 9 HH TYR 9 114.181 4.157 -6.451 58 H ALA 10 H ALA 10 112.355 0.909 -2.639 59 HA ALA 10 HA ALA 10 109.555 0.269 -3.359 60 HB1 ALA 10 1HB ALA 10 110.162 2.262 -1.218 61 HB2 ALA 10 2HB ALA 10 110.244 0.544 -0.823 62 HB3 ALA 10 3HB ALA 10 108.742 1.239 -1.434 63 H GLN 11 H GLN 11 108.343 1.889 -4.270 64 HA GLN 11 HA GLN 11 109.820 4.321 -5.120 65 HB2 GLN 11 1HB GLN 11 109.258 2.761 -6.991 66 HB3 GLN 11 2HB GLN 11 107.553 2.937 -6.576 67 HG2 GLN 11 1HG GLN 11 107.803 5.418 -6.879 68 HG3 GLN 11 2HG GLN 11 109.437 5.129 -7.475 69 HE21 GLN 11 1HE2 GLN 11 109.466 5.162 -9.721 70 HE22 GLN 11 2HE2 GLN 11 108.239 4.550 -10.720 71 H SER 12 H SER 12 108.895 6.251 -4.634 72 HA SER 12 HA SER 12 106.248 6.180 -3.300 73 HB2 SER 12 1HB SER 12 108.180 6.839 -1.852 74 HB3 SER 12 2HB SER 12 108.476 8.194 -2.935 75 HG SER 12 HG SER 12 105.948 7.715 -1.757 76 H ASP 13 H ASP 13 104.722 7.698 -3.872 77 HA ASP 13 HA ASP 13 104.934 8.556 -6.615 78 HB2 ASP 13 1HB ASP 13 102.726 8.899 -4.574 79 HB3 ASP 13 2HB ASP 13 102.590 9.315 -6.281 80 H ALA 14 H ALA 14 104.923 10.596 -7.429 81 HA ALA 14 HA ALA 14 106.016 12.622 -5.611 82 HB1 ALA 14 1HB ALA 14 107.068 11.787 -7.884 83 HB2 ALA 14 2HB ALA 14 107.166 13.484 -7.418 84 HB3 ALA 14 3HB ALA 14 105.949 12.958 -8.582 85 H GLN 15 H GLN 15 105.181 14.619 -5.370 86 HA GLN 15 HA GLN 15 102.441 15.088 -6.272 87 HB2 GLN 15 1HB GLN 15 103.248 15.530 -3.898 88 HB3 GLN 15 2HB GLN 15 104.193 16.863 -4.554 89 HG2 GLN 15 1HG GLN 15 102.116 17.779 -3.764 90 HG3 GLN 15 2HG GLN 15 102.046 17.790 -5.521 91 HE21 GLN 15 1HE2 GLN 15 99.836 17.414 -5.933 92 HE22 GLN 15 2HE2 GLN 15 98.972 16.084 -5.324 93 H GLY 16 H GLY 16 101.890 17.102 -7.409 94 HA2 GLY 16 1HA GLY 16 103.309 17.414 -9.754 95 HA3 GLY 16 2HA GLY 16 102.189 18.616 -9.126 96 H GLN 17 H GLN 17 104.799 18.811 -10.560 97 HA GLN 17 HA GLN 17 106.693 20.071 -10.592 98 HB2 GLN 17 1HB GLN 17 105.395 21.450 -8.229 99 HB3 GLN 17 2HB GLN 17 106.803 22.041 -9.105 100 HG2 GLN 17 1HG GLN 17 105.513 22.169 -11.174 101 HG3 GLN 17 2HG GLN 17 104.106 21.483 -10.366 102 HE21 GLN 17 1HE2 GLN 17 104.009 24.059 -11.620 103 HE22 GLN 17 2HE2 GLN 17 103.805 25.230 -10.411 104 H MET 18 H MET 18 106.673 17.569 -9.107 105 HA MET 18 HA MET 18 109.234 18.018 -7.783 106 HB2 MET 18 1HB MET 18 106.988 16.537 -6.394 107 HB3 MET 18 2HB MET 18 108.647 16.659 -5.826 108 HG2 MET 18 1HG MET 18 108.414 19.137 -5.748 109 HG3 MET 18 2HG MET 18 106.720 18.966 -6.211 110 HE1 MET 18 3HE MET 18 107.472 20.564 -3.856 111 HE2 MET 18 1HE MET 18 106.506 19.987 -2.493 112 HE3 MET 18 2HE MET 18 105.766 20.187 -4.080 113 H ASN 19 H ASN 19 110.293 15.851 -7.291 114 HA ASN 19 HA ASN 19 109.662 13.979 -9.495 115 HB2 ASN 19 1HB ASN 19 112.254 14.405 -7.990 116 HB3 ASN 19 2HB ASN 19 112.010 13.277 -9.325 117 HD21 ASN 19 1HD2 ASN 19 110.486 14.834 -11.106 118 HD22 ASN 19 2HD2 ASN 19 111.400 16.175 -11.604 119 H LYS 20 H LYS 20 109.525 11.779 -9.116 120 HA LYS 20 HA LYS 20 108.534 10.880 -6.666 121 HB2 LYS 20 1HB LYS 20 108.710 8.649 -7.577 122 HB3 LYS 20 2HB LYS 20 108.202 9.745 -8.857 123 HG2 LYS 20 1HG LYS 20 110.586 9.885 -9.615 124 HG3 LYS 20 2HG LYS 20 111.003 8.672 -8.405 125 HD2 LYS 20 1HD LYS 20 109.230 7.181 -9.470 126 HD3 LYS 20 2HD LYS 20 109.179 8.346 -10.796 127 HE2 LYS 20 1HE LYS 20 111.721 8.053 -10.948 128 HE3 LYS 20 2HE LYS 20 111.515 6.650 -9.899 129 HZ1 LYS 20 3HZ LYS 20 109.835 5.848 -11.547 130 HZ2 LYS 20 1HZ LYS 20 111.434 5.874 -12.112 131 HZ3 LYS 20 2HZ LYS 20 110.347 7.091 -12.587 132 H MET 21 H MET 21 109.617 8.918 -5.462 133 HA MET 21 HA MET 21 112.462 9.592 -4.949 134 HB2 MET 21 1HB MET 21 110.293 9.241 -2.869 135 HB3 MET 21 2HB MET 21 112.016 9.368 -2.517 136 HG2 MET 21 1HG MET 21 112.028 11.581 -3.713 137 HG3 MET 21 2HG MET 21 110.273 11.466 -3.834 138 HE1 MET 21 3HE MET 21 108.848 10.843 -2.020 139 HE2 MET 21 1HE MET 21 108.888 11.610 -0.428 140 HE3 MET 21 2HE MET 21 109.664 10.048 -0.675 141 H GLY 22 H GLY 22 113.655 7.905 -3.826 142 HA2 GLY 22 1HA GLY 22 112.480 5.204 -4.233 143 HA3 GLY 22 2HA GLY 22 114.161 5.583 -4.608 144 H GLY 23 H GLY 23 112.839 3.707 -2.601 145 HA2 GLY 23 1HA GLY 23 114.355 4.637 -0.235 146 HA3 GLY 23 2HA GLY 23 112.709 4.043 -0.066 147 H PHE 24 H PHE 24 115.403 3.074 0.915 148 HA PHE 24 HA PHE 24 115.204 0.291 -0.099 149 HB2 PHE 24 1HB PHE 24 117.553 1.710 1.172 150 HB3 PHE 24 2HB PHE 24 117.523 0.020 0.710 151 HD1 PHE 24 HD1 PHE 24 117.455 -0.621 -1.694 152 HD2 PHE 24 HD2 PHE 24 117.865 3.465 -0.436 153 HE1 PHE 24 HE1 PHE 24 118.224 0.003 -3.968 154 HE2 PHE 24 HE2 PHE 24 118.634 4.089 -2.710 155 HZ PHE 24 HZ PHE 24 118.812 2.357 -4.476 156 H ASN 25 H ASN 25 114.746 -1.292 1.377 157 HA ASN 25 HA ASN 25 114.595 -0.475 4.227 158 HB2 ASN 25 1HB ASN 25 112.583 -2.044 2.614 159 HB3 ASN 25 2HB ASN 25 112.572 -1.958 4.374 160 HD21 ASN 25 1HD2 ASN 25 110.348 -0.964 3.000 161 HD22 ASN 25 2HD2 ASN 25 110.322 0.729 3.096 162 H LEU 26 H LEU 26 115.527 -1.771 5.621 163 HA LEU 26 HA LEU 26 116.127 -4.569 4.834 164 HB2 LEU 26 1HB LEU 26 118.163 -3.137 5.095 165 HB3 LEU 26 2HB LEU 26 117.688 -2.832 6.767 166 HG LEU 26 HG LEU 26 117.649 -5.364 7.080 167 HD11 LEU 26 1HD1 LEU 26 119.180 -6.550 5.414 168 HD12 LEU 26 2HD1 LEU 26 118.965 -5.149 4.365 169 HD13 LEU 26 3HD1 LEU 26 117.574 -6.134 4.818 170 HD21 LEU 26 3HD2 LEU 26 120.317 -4.132 6.322 171 HD22 LEU 26 1HD2 LEU 26 120.056 -5.470 7.440 172 HD23 LEU 26 2HD2 LEU 26 119.492 -3.852 7.856 173 H LYS 27 H LYS 27 115.446 -6.162 6.270 174 HA LYS 27 HA LYS 27 114.086 -5.211 8.726 175 HB2 LYS 27 1HB LYS 27 113.008 -7.166 6.689 176 HB3 LYS 27 2HB LYS 27 112.255 -6.798 8.240 177 HG2 LYS 27 1HG LYS 27 112.130 -4.399 7.569 178 HG3 LYS 27 2HG LYS 27 112.766 -4.838 5.984 179 HD2 LYS 27 1HD LYS 27 110.840 -6.405 5.695 180 HD3 LYS 27 2HD LYS 27 110.177 -5.819 7.221 181 HE2 LYS 27 1HE LYS 27 109.082 -4.522 5.567 182 HE3 LYS 27 2HE LYS 27 110.349 -3.466 6.190 183 HZ1 LYS 27 3HZ LYS 27 110.728 -3.265 3.974 184 HZ2 LYS 27 1HZ LYS 27 110.158 -4.819 3.606 185 HZ3 LYS 27 2HZ LYS 27 111.705 -4.621 4.278 186 H TYR 28 H TYR 28 114.139 -6.516 10.465 187 HA TYR 28 HA TYR 28 115.447 -9.167 10.205 188 HB2 TYR 28 1HB TYR 28 115.466 -7.294 12.581 189 HB3 TYR 28 2HB TYR 28 116.212 -8.879 12.518 190 HD1 TYR 28 HD1 TYR 28 116.430 -5.377 11.431 191 HD2 TYR 28 HD2 TYR 28 118.281 -9.249 11.261 192 HE1 TYR 28 HE1 TYR 28 118.510 -4.344 10.555 193 HE2 TYR 28 HE2 TYR 28 120.358 -8.218 10.387 194 HH TYR 28 HH TYR 28 121.166 -6.288 9.374 195 H ARG 29 H ARG 29 114.376 -10.900 11.140 196 HA ARG 29 HA ARG 29 111.823 -10.324 12.504 197 HB2 ARG 29 1HB ARG 29 111.416 -10.700 10.075 198 HB3 ARG 29 2HB ARG 29 112.135 -12.303 10.241 199 HG2 ARG 29 1HG ARG 29 110.436 -12.883 11.943 200 HG3 ARG 29 2HG ARG 29 109.700 -11.295 11.744 201 HD2 ARG 29 1HD ARG 29 109.357 -11.824 9.318 202 HD3 ARG 29 2HD ARG 29 109.952 -13.450 9.630 203 HE ARG 29 HE ARG 29 107.359 -12.388 10.330 204 HH11 ARG 29 1HH1 ARG 29 109.725 -14.859 11.113 205 HH12 ARG 29 2HH1 ARG 29 108.551 -15.886 11.863 206 HH21 ARG 29 1HH2 ARG 29 105.895 -13.747 11.313 207 HH22 ARG 29 2HH2 ARG 29 106.409 -15.261 11.980 208 H TYR 30 H TYR 30 111.211 -11.792 14.065 209 HA TYR 30 HA TYR 30 113.040 -14.078 14.520 210 HB2 TYR 30 1HB TYR 30 111.074 -12.733 16.382 211 HB3 TYR 30 2HB TYR 30 112.078 -14.112 16.793 212 HD1 TYR 30 HD1 TYR 30 114.565 -13.845 16.929 213 HD2 TYR 30 HD2 TYR 30 111.923 -10.501 16.379 214 HE1 TYR 30 HE1 TYR 30 116.379 -12.299 17.613 215 HE2 TYR 30 HE2 TYR 30 113.738 -8.955 17.063 216 HH TYR 30 HH TYR 30 115.783 -8.900 18.175 217 H GLU 31 H GLU 31 112.213 -16.166 14.609 218 HA GLU 31 HA GLU 31 109.546 -16.458 13.435 219 HB2 GLU 31 1HB GLU 31 111.716 -18.500 13.963 220 HB3 GLU 31 2HB GLU 31 110.191 -18.829 13.139 221 HG2 GLU 31 1HG GLU 31 110.770 -17.092 11.448 222 HG3 GLU 31 2HG GLU 31 112.327 -16.878 12.236 223 H GLU 32 H GLU 32 107.822 -17.075 14.506 224 HA GLU 32 HA GLU 32 108.051 -18.360 17.117 225 HB2 GLU 32 1HB GLU 32 106.687 -15.691 16.709 226 HB3 GLU 32 2HB GLU 32 106.579 -16.669 18.173 227 HG2 GLU 32 1HG GLU 32 109.071 -16.595 18.352 228 HG3 GLU 32 2HG GLU 32 109.106 -15.509 16.971 229 H ASP 33 H ASP 33 106.052 -19.222 17.896 230 HA ASP 33 HA ASP 33 104.594 -20.441 15.747 231 HB2 ASP 33 1HB ASP 33 105.292 -21.337 18.152 232 HB3 ASP 33 2HB ASP 33 103.710 -20.698 18.587 233 H ASN 34 H ASN 34 102.063 -20.714 16.396 234 HA ASN 34 HA ASN 34 100.907 -18.385 15.409 235 HB2 ASN 34 1HB ASN 34 98.766 -19.453 15.833 236 HB3 ASN 34 2HB ASN 34 99.920 -20.622 15.193 237 HD21 ASN 34 1HD2 ASN 34 97.572 -21.300 16.820 238 HD22 ASN 34 2HD2 ASN 34 98.156 -22.015 18.245 239 H SER 35 H SER 35 101.359 -19.306 18.826 240 HA SER 35 HA SER 35 99.295 -17.412 19.637 241 HB2 SER 35 1HB SER 35 99.884 -19.756 20.674 242 HB3 SER 35 2HB SER 35 101.053 -18.817 21.596 243 HG SER 35 HG SER 35 99.400 -18.308 22.791 244 HA PRO 36 HA PRO 36 102.769 -14.632 20.605 245 HB2 PRO 36 1HB PRO 36 105.389 -15.299 20.304 246 HB3 PRO 36 2HB PRO 36 104.479 -15.633 21.787 247 HG2 PRO 36 1HG PRO 36 105.427 -17.477 19.727 248 HG3 PRO 36 2HG PRO 36 104.967 -17.792 21.406 249 HD2 PRO 36 1HD PRO 36 103.399 -18.253 19.045 250 HD3 PRO 36 2HD PRO 36 102.949 -18.564 20.728 251 H LEU 37 H LEU 37 102.975 -13.053 19.107 252 HA LEU 37 HA LEU 37 103.066 -13.741 16.309 253 HB2 LEU 37 1HB LEU 37 103.068 -11.017 17.629 254 HB3 LEU 37 2HB LEU 37 102.745 -11.350 15.928 255 HG LEU 37 HG LEU 37 101.101 -12.424 18.239 256 HD11 LEU 37 1HD1 LEU 37 100.297 -10.328 16.214 257 HD12 LEU 37 2HD1 LEU 37 101.005 -9.903 17.771 258 HD13 LEU 37 3HD1 LEU 37 99.470 -10.769 17.707 259 HD21 LEU 37 3HD2 LEU 37 100.840 -12.577 15.225 260 HD22 LEU 37 1HD2 LEU 37 99.498 -12.919 16.317 261 HD23 LEU 37 2HD2 LEU 37 100.951 -13.919 16.365 262 H GLY 38 H GLY 38 104.568 -12.790 14.769 263 HA2 GLY 38 1HA GLY 38 107.304 -13.070 15.762 264 HA3 GLY 38 2HA GLY 38 106.808 -12.979 14.073 265 H VAL 39 H VAL 39 108.873 -11.411 15.696 266 HA VAL 39 HA VAL 39 107.656 -8.717 15.623 267 HB VAL 39 HB VAL 39 110.267 -9.608 16.876 268 HG11 VAL 39 1HG1 VAL 39 109.802 -7.359 18.122 269 HG12 VAL 39 2HG1 VAL 39 108.756 -7.007 16.748 270 HG13 VAL 39 3HG1 VAL 39 110.476 -7.301 16.494 271 HG21 VAL 39 3HG2 VAL 39 107.536 -9.080 18.090 272 HG22 VAL 39 1HG2 VAL 39 109.015 -9.310 19.022 273 HG23 VAL 39 2HG2 VAL 39 108.378 -10.629 18.040 274 H ILE 40 H ILE 40 108.130 -7.395 13.986 275 HA ILE 40 HA ILE 40 110.598 -7.917 12.418 276 HB ILE 40 HB ILE 40 107.961 -6.799 11.418 277 HG12 ILE 40 1HG1 ILE 40 109.248 -9.473 10.811 278 HG13 ILE 40 2HG1 ILE 40 107.963 -9.265 12.000 279 HG21 ILE 40 1HG2 ILE 40 110.424 -7.678 9.881 280 HG22 ILE 40 2HG2 ILE 40 110.065 -5.997 10.279 281 HG23 ILE 40 3HG2 ILE 40 108.980 -6.904 9.224 282 HD11 ILE 40 3HD1 ILE 40 107.096 -9.969 9.769 283 HD12 ILE 40 1HD1 ILE 40 107.746 -8.483 9.077 284 HD13 ILE 40 2HD1 ILE 40 106.458 -8.406 10.280 285 H GLY 41 H GLY 41 111.973 -6.265 12.274 286 HA2 GLY 41 1HA GLY 41 110.991 -3.524 12.860 287 HA3 GLY 41 2HA GLY 41 112.555 -4.109 13.433 288 H SER 42 H SER 42 111.569 -1.982 11.363 289 HA SER 42 HA SER 42 113.318 -2.869 9.137 290 HB2 SER 42 1HB SER 42 111.784 -1.876 7.556 291 HB3 SER 42 2HB SER 42 110.897 -3.018 8.559 292 HG SER 42 HG SER 42 110.375 -0.479 8.184 293 H PHE 43 H PHE 43 114.675 -1.422 8.308 294 HA PHE 43 HA PHE 43 114.653 1.341 9.377 295 HB2 PHE 43 1HB PHE 43 116.647 -0.088 9.900 296 HB3 PHE 43 2HB PHE 43 116.941 -0.239 8.180 297 HD1 PHE 43 HD1 PHE 43 117.067 1.984 11.098 298 HD2 PHE 43 HD2 PHE 43 117.808 1.647 6.881 299 HE1 PHE 43 HE1 PHE 43 118.407 4.067 11.168 300 HE2 PHE 43 HE2 PHE 43 119.148 3.735 6.950 301 HZ PHE 43 HZ PHE 43 119.448 4.944 9.094 302 H THR 44 H THR 44 114.277 2.954 7.894 303 HA THR 44 HA THR 44 114.402 2.208 5.020 304 HB THR 44 HB THR 44 112.354 3.990 6.359 305 HG1 THR 44 HG1 THR 44 111.062 2.288 6.343 306 HG21 THR 44 3HG2 THR 44 112.352 4.758 4.186 307 HG22 THR 44 1HG2 THR 44 111.275 3.376 3.995 308 HG23 THR 44 2HG2 THR 44 112.970 3.243 3.531 309 H TYR 45 H TYR 45 115.532 3.507 3.754 310 HA TYR 45 HA TYR 45 116.017 6.301 4.620 311 HB2 TYR 45 1HB TYR 45 118.060 4.912 4.840 312 HB3 TYR 45 2HB TYR 45 117.942 4.502 3.138 313 HD1 TYR 45 HD1 TYR 45 118.594 7.223 5.560 314 HD2 TYR 45 HD2 TYR 45 118.629 6.051 1.428 315 HE1 TYR 45 HE1 TYR 45 119.894 9.259 4.995 316 HE2 TYR 45 HE2 TYR 45 119.930 8.087 0.862 317 HH TYR 45 HH TYR 45 120.104 10.599 2.250 318 H THR 46 H THR 46 115.625 7.844 3.064 319 HA THR 46 HA THR 46 114.781 6.845 0.399 320 HB THR 46 HB THR 46 113.747 9.335 1.758 321 HG1 THR 46 HG1 THR 46 112.128 8.138 2.542 322 HG21 THR 46 3HG2 THR 46 112.779 7.656 -0.571 323 HG22 THR 46 1HG2 THR 46 113.519 9.252 -0.680 324 HG23 THR 46 2HG2 THR 46 111.942 9.063 0.085 325 H GLU 47 H GLU 47 115.384 7.986 -1.407 326 HA GLU 47 HA GLU 47 117.234 10.262 -1.022 327 HB2 GLU 47 1HB GLU 47 118.471 8.133 -1.508 328 HB3 GLU 47 2HB GLU 47 117.608 8.039 -3.042 329 HG2 GLU 47 1HG GLU 47 118.491 10.287 -3.642 330 HG3 GLU 47 2HG GLU 47 119.416 10.299 -2.148 331 H LYS 48 H LYS 48 117.038 11.897 -2.485 332 HA LYS 48 HA LYS 48 114.854 11.660 -4.468 333 HB2 LYS 48 1HB LYS 48 114.582 13.375 -2.662 334 HB3 LYS 48 2HB LYS 48 116.032 14.178 -3.267 335 HG2 LYS 48 1HG LYS 48 114.948 14.397 -5.495 336 HG3 LYS 48 2HG LYS 48 113.481 13.681 -4.830 337 HD2 LYS 48 1HD LYS 48 113.426 15.520 -3.124 338 HD3 LYS 48 2HD LYS 48 114.787 16.273 -3.957 339 HE2 LYS 48 1HE LYS 48 112.836 17.332 -4.832 340 HE3 LYS 48 2HE LYS 48 113.355 16.191 -6.074 341 HZ1 LYS 48 3HZ LYS 48 110.931 16.148 -5.539 342 HZ2 LYS 48 1HZ LYS 48 111.332 15.538 -4.007 343 HZ3 LYS 48 2HZ LYS 48 111.715 14.648 -5.404 344 H SER 49 H SER 49 115.251 12.084 -6.589 345 HA SER 49 HA SER 49 117.915 11.917 -7.541 346 HB2 SER 49 1HB SER 49 116.975 12.072 -9.727 347 HB3 SER 49 2HB SER 49 115.799 11.197 -8.752 348 HG SER 49 HG SER 49 114.511 12.935 -8.735 349 H ARG 50 H ARG 50 119.056 13.486 -8.838 350 HA ARG 50 HA ARG 50 119.371 15.977 -7.617 351 HB2 ARG 50 1HB ARG 50 120.088 15.139 -10.436 352 HB3 ARG 50 2HB ARG 50 120.709 16.569 -9.613 353 HG2 ARG 50 1HG ARG 50 121.663 15.123 -7.843 354 HG3 ARG 50 2HG ARG 50 121.076 13.700 -8.703 355 HD2 ARG 50 1HD ARG 50 123.389 13.992 -9.307 356 HD3 ARG 50 2HD ARG 50 122.416 14.456 -10.700 357 HE ARG 50 HE ARG 50 122.810 16.787 -9.273 358 HH11 ARG 50 1HH1 ARG 50 124.915 14.424 -10.794 359 HH12 ARG 50 2HH1 ARG 50 126.160 15.585 -11.105 360 HH21 ARG 50 1HH2 ARG 50 124.450 18.237 -9.701 361 HH22 ARG 50 2HH2 ARG 50 125.900 17.717 -10.492 362 H THR 51 H THR 51 118.539 17.975 -7.956 363 HA THR 51 HA THR 51 116.623 18.349 -10.177 364 HB THR 51 HB THR 51 115.173 19.638 -8.696 365 HG1 THR 51 HG1 THR 51 115.691 19.986 -6.626 366 HG21 THR 51 3HG2 THR 51 114.158 17.823 -7.655 367 HG22 THR 51 1HG2 THR 51 115.697 17.119 -7.157 368 HG23 THR 51 2HG2 THR 51 115.180 17.006 -8.840 369 H ALA 52 H ALA 52 116.279 20.652 -10.717 370 HA ALA 52 HA ALA 52 118.810 22.088 -10.646 371 HB1 ALA 52 1HB ALA 52 117.983 23.349 -12.403 372 HB2 ALA 52 2HB ALA 52 116.318 23.238 -11.839 373 HB3 ALA 52 3HB ALA 52 117.075 21.855 -12.627 374 H SER 53 H SER 53 119.069 22.812 -8.550 375 HA SER 53 HA SER 53 117.592 25.181 -7.833 376 HB2 SER 53 1HB SER 53 117.368 22.726 -6.072 377 HB3 SER 53 2HB SER 53 116.819 24.344 -5.646 378 HG SER 53 HG SER 53 115.335 24.243 -7.307 379 H SER 54 H SER 54 118.369 25.947 -5.575 380 HA SER 54 HA SER 54 121.159 26.227 -5.594 381 HB2 SER 54 1HB SER 54 120.908 27.276 -3.425 382 HB3 SER 54 2HB SER 54 119.566 27.763 -4.455 383 HG SER 54 HG SER 54 118.486 27.083 -2.748 384 H GLY 55 H GLY 55 119.118 23.823 -4.022 385 HA2 GLY 55 1HA GLY 55 121.128 22.766 -2.292 386 HA3 GLY 55 2HA GLY 55 119.624 21.972 -2.744 387 H ASP 56 H ASP 56 120.247 22.171 -5.633 388 HA ASP 56 HA ASP 56 121.326 21.077 -7.313 389 HB2 ASP 56 1HB ASP 56 123.446 21.772 -6.104 390 HB3 ASP 56 2HB ASP 56 123.442 20.172 -5.362 391 H TYR 57 H TYR 57 122.182 18.919 -4.585 392 HA TYR 57 HA TYR 57 120.287 16.939 -5.677 393 HB2 TYR 57 1HB TYR 57 121.917 15.196 -5.584 394 HB3 TYR 57 2HB TYR 57 122.575 16.506 -6.544 395 HD1 TYR 57 HD2 TYR 57 124.470 17.831 -5.726 396 HD2 TYR 57 HD1 TYR 57 122.828 14.612 -3.406 397 HE1 TYR 57 HE2 TYR 57 126.482 17.851 -4.277 398 HE2 TYR 57 HE1 TYR 57 124.841 14.631 -1.955 399 HH TYR 57 HH TYR 57 127.364 17.089 -2.348 400 H ASN 58 H ASN 58 119.790 15.189 -4.165 401 HA ASN 58 HA ASN 58 119.089 14.448 -2.106 402 HB2 ASN 58 1HB ASN 58 121.591 14.266 -1.865 403 HB3 ASN 58 2HB ASN 58 121.565 15.837 -1.066 404 HD21 ASN 58 1HD2 ASN 58 120.117 12.551 -0.810 405 HD22 ASN 58 2HD2 ASN 58 119.957 12.596 0.879 406 H LYS 59 H LYS 59 117.621 16.505 -2.808 407 HA LYS 59 HA LYS 59 117.738 18.893 -1.379 408 HB2 LYS 59 1HB LYS 59 116.235 18.441 -3.313 409 HB3 LYS 59 2HB LYS 59 115.230 17.448 -2.257 410 HG2 LYS 59 1HG LYS 59 114.902 19.413 -0.764 411 HG3 LYS 59 2HG LYS 59 115.829 20.399 -1.896 412 HD2 LYS 59 1HD LYS 59 114.185 19.791 -3.688 413 HD3 LYS 59 2HD LYS 59 113.218 18.969 -2.464 414 HE2 LYS 59 1HE LYS 59 112.228 21.088 -2.512 415 HE3 LYS 59 2HE LYS 59 113.380 21.252 -1.185 416 HZ1 LYS 59 3HZ LYS 59 114.681 22.635 -2.364 417 HZ2 LYS 59 1HZ LYS 59 113.255 22.938 -3.230 418 HZ3 LYS 59 2HZ LYS 59 114.400 21.841 -3.839 419 H ASN 60 H ASN 60 116.266 15.792 -0.476 420 HA ASN 60 HA ASN 60 116.236 16.703 2.309 421 HB2 ASN 60 1HB ASN 60 113.942 15.968 2.664 422 HB3 ASN 60 2HB ASN 60 113.992 17.214 1.421 423 HD21 ASN 60 1HD2 ASN 60 111.818 15.348 1.604 424 HD22 ASN 60 2HD2 ASN 60 111.860 14.352 0.230 425 H GLN 61 H GLN 61 116.003 14.963 3.851 426 HA GLN 61 HA GLN 61 116.664 12.288 2.754 427 HB2 GLN 61 1HB GLN 61 117.831 13.646 5.197 428 HB3 GLN 61 2HB GLN 61 118.111 11.962 4.751 429 HG2 GLN 61 1HG GLN 61 119.117 12.655 2.635 430 HG3 GLN 61 2HG GLN 61 118.768 14.343 2.993 431 HE21 GLN 61 1HE2 GLN 61 121.444 13.426 2.526 432 HE22 GLN 61 2HE2 GLN 61 122.316 13.573 3.975 433 H TYR 62 H TYR 62 115.812 10.514 3.880 434 HA TYR 62 HA TYR 62 113.768 11.169 5.929 435 HB2 TYR 62 1HB TYR 62 112.809 10.586 3.696 436 HB3 TYR 62 2HB TYR 62 113.587 9.019 3.823 437 HD1 TYR 62 HD2 TYR 62 110.883 11.170 5.079 438 HD2 TYR 62 HD1 TYR 62 112.773 7.324 5.379 439 HE1 TYR 62 HE2 TYR 62 108.924 10.305 6.329 440 HE2 TYR 62 HE1 TYR 62 110.814 6.459 6.629 441 HH TYR 62 HH TYR 62 108.892 6.994 7.629 442 H TYR 63 H TYR 63 113.787 10.004 7.726 443 HA TYR 63 HA TYR 63 115.391 7.512 7.831 444 HB2 TYR 63 1HB TYR 63 116.566 9.390 8.917 445 HB3 TYR 63 2HB TYR 63 115.159 9.699 9.911 446 HD1 TYR 63 HD1 TYR 63 114.547 8.145 11.734 447 HD2 TYR 63 HD2 TYR 63 118.102 7.597 9.387 448 HE1 TYR 63 HE1 TYR 63 115.444 6.602 13.453 449 HE2 TYR 63 HE2 TYR 63 118.995 6.047 11.104 450 HH TYR 63 HH TYR 63 117.420 4.488 13.175 451 H GLY 64 H GLY 64 114.039 5.814 8.324 452 HA2 GLY 64 1HA GLY 64 111.695 6.396 10.057 453 HA3 GLY 64 2HA GLY 64 111.553 5.432 8.594 454 H ILE 65 H ILE 65 111.353 5.049 11.692 455 HA ILE 65 HA ILE 65 112.618 2.363 11.627 456 HB ILE 65 HB ILE 65 112.166 4.096 14.076 457 HG12 ILE 65 1HG1 ILE 65 114.764 3.286 12.731 458 HG13 ILE 65 2HG1 ILE 65 114.016 4.874 12.562 459 HG21 ILE 65 1HG2 ILE 65 113.367 2.334 15.259 460 HG22 ILE 65 2HG2 ILE 65 113.614 1.449 13.753 461 HG23 ILE 65 3HG2 ILE 65 111.989 1.623 14.418 462 HD11 ILE 65 3HD1 ILE 65 114.158 5.213 14.998 463 HD12 ILE 65 1HD1 ILE 65 115.754 4.888 14.322 464 HD13 ILE 65 2HD1 ILE 65 114.887 3.619 15.185 465 H THR 66 H THR 66 111.089 0.835 11.507 466 HA THR 66 HA THR 66 108.411 1.422 12.655 467 HB THR 66 HB THR 66 108.790 -0.328 10.240 468 HG1 THR 66 HG1 THR 66 109.313 1.355 9.127 469 HG21 THR 66 3HG2 THR 66 106.508 0.018 9.938 470 HG22 THR 66 1HG2 THR 66 106.519 1.543 10.819 471 HG23 THR 66 2HG2 THR 66 106.630 0.018 11.699 472 H ALA 67 H ALA 67 107.304 -0.313 13.621 473 HA ALA 67 HA ALA 67 108.608 -2.931 13.639 474 HB1 ALA 67 1HB ALA 67 109.274 -1.365 15.665 475 HB2 ALA 67 2HB ALA 67 108.927 -3.075 15.924 476 HB3 ALA 67 3HB ALA 67 107.696 -1.862 16.275 477 H GLY 68 H GLY 68 107.141 -4.669 13.984 478 HA2 GLY 68 1HA GLY 68 104.458 -4.177 14.899 479 HA3 GLY 68 2HA GLY 68 104.533 -4.354 13.154 480 HA PRO 69 HA PRO 69 104.597 -8.654 14.890 481 HB2 PRO 69 1HB PRO 69 102.035 -9.235 15.530 482 HB3 PRO 69 2HB PRO 69 103.122 -8.398 16.656 483 HG2 PRO 69 1HG PRO 69 100.824 -7.368 15.184 484 HG3 PRO 69 2HG PRO 69 101.641 -6.712 16.609 485 HD2 PRO 69 1HD PRO 69 101.966 -5.934 13.827 486 HD3 PRO 69 2HD PRO 69 102.649 -5.169 15.279 487 H ALA 70 H ALA 70 104.823 -9.952 13.184 488 HA ALA 70 HA ALA 70 102.972 -10.042 10.960 489 HB1 ALA 70 1HB ALA 70 104.501 -12.129 10.449 490 HB2 ALA 70 2HB ALA 70 105.544 -11.394 11.667 491 HB3 ALA 70 3HB ALA 70 105.112 -10.493 10.214 492 H TYR 71 H TYR 71 101.503 -11.674 10.487 493 HA TYR 71 HA TYR 71 101.235 -13.860 12.467 494 HB2 TYR 71 1HB TYR 71 99.315 -12.278 12.476 495 HB3 TYR 71 2HB TYR 71 99.071 -12.600 10.769 496 HD1 TYR 71 HD1 TYR 71 98.904 -14.037 14.177 497 HD2 TYR 71 HD2 TYR 71 97.986 -14.615 10.020 498 HE1 TYR 71 HE1 TYR 71 97.465 -15.969 14.764 499 HE2 TYR 71 HE2 TYR 71 96.547 -16.547 10.608 500 HH TYR 71 HH TYR 71 95.376 -17.477 12.435 501 H ARG 72 H ARG 72 101.394 -15.898 11.628 502 HA ARG 72 HA ARG 72 102.174 -15.987 8.800 503 HB2 ARG 72 1HB ARG 72 102.610 -17.931 11.071 504 HB3 ARG 72 2HB ARG 72 103.146 -18.201 9.413 505 HG2 ARG 72 1HG ARG 72 104.442 -16.066 9.532 506 HG3 ARG 72 2HG ARG 72 103.992 -15.929 11.233 507 HD2 ARG 72 1HD ARG 72 105.558 -18.201 9.980 508 HD3 ARG 72 2HD ARG 72 106.211 -16.950 11.033 509 HE ARG 72 HE ARG 72 104.311 -17.993 12.602 510 HH11 ARG 72 1HH1 ARG 72 106.721 -19.628 10.638 511 HH12 ARG 72 2HH1 ARG 72 106.790 -21.002 11.690 512 HH21 ARG 72 1HH2 ARG 72 104.443 -19.789 13.916 513 HH22 ARG 72 2HH2 ARG 72 105.517 -21.091 13.522 514 H ILE 73 H ILE 73 100.505 -16.344 7.505 515 HA ILE 73 HA ILE 73 98.667 -18.563 8.055 516 HB ILE 73 HB ILE 73 98.717 -16.580 5.760 517 HG12 ILE 73 1HG1 ILE 73 96.858 -16.740 8.149 518 HG13 ILE 73 2HG1 ILE 73 98.243 -15.656 8.069 519 HG21 ILE 73 1HG2 ILE 73 96.411 -17.436 5.364 520 HG22 ILE 73 2HG2 ILE 73 96.663 -18.642 6.624 521 HG23 ILE 73 3HG2 ILE 73 97.627 -18.694 5.148 522 HD11 ILE 73 3HD1 ILE 73 96.390 -15.539 5.743 523 HD12 ILE 73 1HD1 ILE 73 97.216 -14.239 6.603 524 HD13 ILE 73 2HD1 ILE 73 95.749 -14.948 7.272 525 H ASN 74 H ASN 74 98.853 -20.518 7.048 526 HA ASN 74 HA ASN 74 101.357 -21.226 5.967 527 HB2 ASN 74 1HB ASN 74 98.705 -22.672 5.855 528 HB3 ASN 74 2HB ASN 74 100.250 -23.387 5.406 529 HD21 ASN 74 1HD2 ASN 74 98.605 -24.357 7.599 530 HD22 ASN 74 2HD2 ASN 74 99.483 -24.121 9.032 531 H ASP 75 H ASP 75 98.279 -20.420 4.393 532 HA ASP 75 HA ASP 75 99.178 -20.933 1.730 533 HB2 ASP 75 1HB ASP 75 96.761 -20.526 2.677 534 HB3 ASP 75 2HB ASP 75 97.140 -18.830 2.387 535 H TRP 76 H TRP 76 99.053 -18.813 0.185 536 HA TRP 76 HA TRP 76 101.240 -17.108 1.084 537 HB2 TRP 76 1HB TRP 76 101.301 -16.311 -1.196 538 HB3 TRP 76 2HB TRP 76 101.237 -18.062 -1.188 539 HD1 TRP 76 HD1 TRP 76 98.802 -19.166 -1.791 540 HE1 TRP 76 HE1 TRP 76 96.981 -18.313 -3.402 541 HE3 TRP 76 HE3 TRP 76 100.194 -14.269 -2.183 542 HZ2 TRP 76 HZ2 TRP 76 96.214 -15.872 -4.690 543 HZ3 TRP 76 HZ3 TRP 76 98.906 -12.706 -3.606 544 HH2 TRP 76 HH2 TRP 76 96.921 -13.498 -4.859 545 H ALA 77 H ALA 77 98.953 -16.695 2.601 546 HA ALA 77 HA ALA 77 97.908 -14.104 1.635 547 HB1 ALA 77 1HB ALA 77 96.071 -15.557 1.496 548 HB2 ALA 77 2HB ALA 77 95.862 -14.752 3.052 549 HB3 ALA 77 3HB ALA 77 96.504 -16.393 2.988 550 H SER 78 H SER 78 100.246 -14.659 3.512 551 HA SER 78 HA SER 78 99.268 -14.426 6.201 552 HB2 SER 78 1HB SER 78 101.589 -14.261 6.827 553 HB3 SER 78 2HB SER 78 101.478 -15.451 5.535 554 HG SER 78 HG SER 78 102.722 -13.021 5.598 555 H ILE 79 H ILE 79 100.057 -12.511 7.617 556 HA ILE 79 HA ILE 79 99.883 -9.982 6.152 557 HB ILE 79 HB ILE 79 97.541 -10.655 6.487 558 HG12 ILE 79 1HG1 ILE 79 98.217 -8.441 8.434 559 HG13 ILE 79 2HG1 ILE 79 98.333 -8.233 6.684 560 HG21 ILE 79 1HG2 ILE 79 96.608 -11.071 8.630 561 HG22 ILE 79 2HG2 ILE 79 98.044 -10.468 9.459 562 HG23 ILE 79 3HG2 ILE 79 98.103 -12.004 8.595 563 HD11 ILE 79 3HD1 ILE 79 95.813 -9.270 7.986 564 HD12 ILE 79 1HD1 ILE 79 96.008 -8.575 6.377 565 HD13 ILE 79 2HD1 ILE 79 96.114 -7.541 7.804 566 H TYR 80 H TYR 80 101.229 -8.567 7.041 567 HA TYR 80 HA TYR 80 101.523 -8.580 9.987 568 HB2 TYR 80 1HB TYR 80 103.840 -8.124 9.845 569 HB3 TYR 80 2HB TYR 80 103.540 -9.517 8.829 570 HD1 TYR 80 HD1 TYR 80 104.497 -5.973 8.930 571 HD2 TYR 80 HD2 TYR 80 103.790 -9.367 6.395 572 HE1 TYR 80 HE1 TYR 80 105.652 -4.820 7.063 573 HE2 TYR 80 HE2 TYR 80 104.943 -8.213 4.529 574 HH TYR 80 HH TYR 80 106.761 -5.317 5.006 575 H GLY 81 H GLY 81 101.441 -6.627 10.966 576 HA2 GLY 81 1HA GLY 81 101.102 -4.247 9.204 577 HA3 GLY 81 2HA GLY 81 100.111 -4.519 10.639 578 H VAL 82 H VAL 82 102.194 -2.397 9.823 579 HA VAL 82 HA VAL 82 103.809 -2.551 12.292 580 HB VAL 82 HB VAL 82 105.794 -1.815 11.018 581 HG11 VAL 82 1HG1 VAL 82 104.462 -4.400 10.197 582 HG12 VAL 82 2HG1 VAL 82 105.701 -4.158 11.427 583 HG13 VAL 82 3HG1 VAL 82 106.109 -3.993 9.722 584 HG21 VAL 82 3HG2 VAL 82 104.110 -2.413 8.566 585 HG22 VAL 82 1HG2 VAL 82 105.785 -1.864 8.583 586 HG23 VAL 82 2HG2 VAL 82 104.500 -0.786 9.128 587 H VAL 83 H VAL 83 104.503 -0.554 13.108 588 HA VAL 83 HA VAL 83 103.554 1.872 11.723 589 HB VAL 83 HB VAL 83 102.874 2.819 13.911 590 HG11 VAL 83 1HG1 VAL 83 101.413 0.208 13.629 591 HG12 VAL 83 2HG1 VAL 83 101.367 1.376 12.309 592 HG13 VAL 83 3HG1 VAL 83 100.762 1.824 13.903 593 HG21 VAL 83 3HG2 VAL 83 103.402 -0.002 14.902 594 HG22 VAL 83 1HG2 VAL 83 102.618 1.270 15.837 595 HG23 VAL 83 2HG2 VAL 83 104.307 1.442 15.360 596 H GLY 84 H GLY 84 104.981 3.628 11.900 597 HA2 GLY 84 1HA GLY 84 107.348 3.286 13.598 598 HA3 GLY 84 2HA GLY 84 107.606 3.350 11.858 599 H VAL 85 H VAL 85 108.889 5.198 13.173 600 HA VAL 85 HA VAL 85 107.266 7.675 12.946 601 HB VAL 85 HB VAL 85 109.861 7.252 14.459 602 HG11 VAL 85 1HG1 VAL 85 109.459 9.487 15.325 603 HG12 VAL 85 2HG1 VAL 85 107.918 9.580 14.471 604 HG13 VAL 85 3HG1 VAL 85 109.428 9.556 13.563 605 HG21 VAL 85 3HG2 VAL 85 108.115 6.068 15.622 606 HG22 VAL 85 1HG2 VAL 85 106.974 7.389 15.371 607 HG23 VAL 85 2HG2 VAL 85 108.342 7.601 16.463 608 H GLY 86 H GLY 86 107.830 9.090 11.375 609 HA2 GLY 86 1HA GLY 86 110.337 8.534 9.875 610 HA3 GLY 86 2HA GLY 86 108.853 9.138 9.143 611 H TYR 87 H TYR 87 111.793 10.103 9.746 612 HA TYR 87 HA TYR 87 111.048 12.833 10.620 613 HB2 TYR 87 1HB TYR 87 113.785 11.555 10.663 614 HB3 TYR 87 2HB TYR 87 113.325 13.095 11.361 615 HD1 TYR 87 HD1 TYR 87 113.212 9.442 11.727 616 HD2 TYR 87 HD2 TYR 87 112.090 13.202 13.473 617 HE1 TYR 87 HE1 TYR 87 112.724 8.299 13.872 618 HE2 TYR 87 HE2 TYR 87 111.599 12.057 15.619 619 HH TYR 87 HH TYR 87 111.662 8.548 15.886 620 H GLY 88 H GLY 88 111.319 14.439 9.182 621 HA2 GLY 88 1HA GLY 88 112.851 13.877 6.704 622 HA3 GLY 88 2HA GLY 88 111.433 14.922 6.776 623 H LYS 89 H LYS 89 114.597 15.106 6.337 624 HA LYS 89 HA LYS 89 114.859 17.675 7.802 625 HB2 LYS 89 1HB LYS 89 117.073 15.687 7.244 626 HB3 LYS 89 2HB LYS 89 117.236 17.222 8.092 627 HG2 LYS 89 1HG LYS 89 115.473 14.930 9.006 628 HG3 LYS 89 2HG LYS 89 117.078 15.281 9.649 629 HD2 LYS 89 1HD LYS 89 116.247 17.587 10.246 630 HD3 LYS 89 2HD LYS 89 114.628 17.058 9.789 631 HE2 LYS 89 1HE LYS 89 116.191 15.389 11.728 632 HE3 LYS 89 2HE LYS 89 115.425 16.871 12.301 633 HZ1 LYS 89 3HZ LYS 89 113.335 16.090 11.814 634 HZ2 LYS 89 1HZ LYS 89 114.106 14.669 12.330 635 HZ3 LYS 89 2HZ LYS 89 113.890 14.964 10.670 636 H PHE 90 H PHE 90 115.808 19.359 6.710 637 HA PHE 90 HA PHE 90 115.912 19.094 3.807 638 HB2 PHE 90 1HB PHE 90 114.767 21.012 4.902 639 HB3 PHE 90 2HB PHE 90 116.309 21.524 5.559 640 HD1 PHE 90 HD1 PHE 90 114.330 21.099 2.461 641 HD2 PHE 90 HD2 PHE 90 117.925 22.679 4.199 642 HE1 PHE 90 HE1 PHE 90 114.768 22.384 0.385 643 HE2 PHE 90 HE2 PHE 90 118.364 23.963 2.124 644 HZ PHE 90 HZ PHE 90 116.785 23.817 0.217 645 H GLN 91 H GLN 91 117.741 19.484 2.554 646 HA GLN 91 HA GLN 91 120.276 19.093 3.984 647 HB2 GLN 91 1HB GLN 91 119.646 17.550 2.119 648 HB3 GLN 91 2HB GLN 91 119.716 18.922 1.015 649 HG2 GLN 91 1HG GLN 91 121.847 17.880 0.852 650 HG3 GLN 91 2HG GLN 91 122.102 19.299 1.863 651 HE21 GLN 91 1HE2 GLN 91 123.246 18.873 3.749 652 HE22 GLN 91 2HE2 GLN 91 123.301 17.371 4.536 653 H THR 92 H THR 92 121.480 20.801 4.401 654 HA THR 92 HA THR 92 121.246 23.201 2.693 655 HB THR 92 HB THR 92 122.324 22.981 5.514 656 HG1 THR 92 HG1 THR 92 120.362 23.527 6.174 657 HG21 THR 92 3HG2 THR 92 123.255 24.931 4.662 658 HG22 THR 92 1HG2 THR 92 121.717 25.539 5.272 659 HG23 THR 92 2HG2 THR 92 121.915 25.210 3.550 660 H THR 93 H THR 93 123.114 24.257 1.985 661 HA THR 93 HA THR 93 125.271 22.650 1.197 662 HB THR 93 HB THR 93 125.310 25.657 1.531 663 HG1 THR 93 HG1 THR 93 124.178 23.950 -0.396 664 HG21 THR 93 3HG2 THR 93 127.491 24.645 1.042 665 HG22 THR 93 1HG2 THR 93 126.895 25.520 -0.368 666 HG23 THR 93 2HG2 THR 93 126.790 23.760 -0.312 667 H GLU 94 H GLU 94 127.468 22.625 1.896 668 HA GLU 94 HA GLU 94 127.733 22.248 4.673 669 HB2 GLU 94 1HB GLU 94 129.855 22.565 2.541 670 HB3 GLU 94 2HB GLU 94 130.152 21.989 4.181 671 HG2 GLU 94 1HG GLU 94 128.264 20.697 2.193 672 HG3 GLU 94 2HG GLU 94 129.878 20.115 2.583 673 H TYR 95 H TYR 95 128.587 25.005 2.609 674 HA TYR 95 HA TYR 95 130.264 26.349 4.389 675 HB2 TYR 95 1HB TYR 95 128.545 27.201 2.111 676 HB3 TYR 95 2HB TYR 95 129.222 28.440 3.151 677 HD1 TYR 95 HD1 TYR 95 130.615 25.186 1.915 678 HD2 TYR 95 HD2 TYR 95 130.967 29.466 1.996 679 HE1 TYR 95 HE1 TYR 95 132.755 25.033 0.671 680 HE2 TYR 95 HE2 TYR 95 133.107 29.314 0.750 681 HH TYR 95 HH TYR 95 134.391 26.162 -0.318 682 HA PRO 96 HA PRO 96 126.162 28.703 6.028 683 HB2 PRO 96 1HB PRO 96 124.537 26.198 5.799 684 HB3 PRO 96 2HB PRO 96 124.011 27.892 5.742 685 HG2 PRO 96 1HG PRO 96 124.289 26.373 3.539 686 HG3 PRO 96 2HG PRO 96 124.538 28.126 3.548 687 HD2 PRO 96 1HD PRO 96 126.524 26.000 3.207 688 HD3 PRO 96 2HD PRO 96 126.671 27.736 2.886 689 H THR 97 H THR 97 126.479 28.794 8.168 690 HA THR 97 HA THR 97 127.828 26.816 9.635 691 HB THR 97 HB THR 97 126.086 29.031 10.737 692 HG1 THR 97 HG1 THR 97 128.849 29.060 10.120 693 HG21 THR 97 3HG2 THR 97 126.783 27.417 12.425 694 HG22 THR 97 1HG2 THR 97 127.712 28.902 12.623 695 HG23 THR 97 2HG2 THR 97 128.450 27.497 11.853 696 H TYR 98 H TYR 98 124.375 27.490 9.281 697 HA TYR 98 HA TYR 98 123.706 25.529 11.341 698 HB2 TYR 98 1HB TYR 98 122.494 27.689 11.185 699 HB3 TYR 98 2HB TYR 98 121.894 27.210 9.608 700 HD1 TYR 98 HD1 TYR 98 121.756 26.528 13.237 701 HD2 TYR 98 HD2 TYR 98 120.092 25.620 9.382 702 HE1 TYR 98 HE1 TYR 98 119.845 25.380 14.332 703 HE2 TYR 98 HE2 TYR 98 118.185 24.473 10.476 704 HH TYR 98 HH TYR 98 117.454 24.816 13.729 705 H LYS 99 H LYS 99 122.927 23.541 10.983 706 HA LYS 99 HA LYS 99 122.523 22.685 8.176 707 HB2 LYS 99 1HB LYS 99 123.423 21.102 10.595 708 HB3 LYS 99 2HB LYS 99 123.082 20.408 9.010 709 HG2 LYS 99 1HG LYS 99 124.838 21.735 7.987 710 HG3 LYS 99 2HG LYS 99 125.112 22.605 9.497 711 HD2 LYS 99 1HD LYS 99 126.829 20.964 9.415 712 HD3 LYS 99 2HD LYS 99 125.633 20.324 10.542 713 HE2 LYS 99 1HE LYS 99 125.932 18.455 9.224 714 HE3 LYS 99 2HE LYS 99 124.656 19.236 8.295 715 HZ1 LYS 99 3HZ LYS 99 126.654 18.500 7.001 716 HZ2 LYS 99 1HZ LYS 99 127.535 19.713 7.792 717 HZ3 LYS 99 2HZ LYS 99 126.221 20.130 6.801 718 H HIS 100 H HIS 100 120.843 21.115 7.789 719 HA HIS 100 HA HIS 100 118.695 20.335 7.965 720 HB2 HIS 100 1HB HIS 100 119.132 20.526 10.946 721 HB3 HIS 100 2HB HIS 100 117.952 19.535 10.112 722 HD1 HIS 100 HD1 HIS 100 119.107 17.649 8.449 723 HD2 HIS 100 HD2 HIS 100 121.477 19.204 11.507 724 HE1 HIS 100 HE1 HIS 100 121.028 16.029 8.762 725 H ASP 101 H ASP 101 118.241 22.539 7.093 726 HA ASP 101 HA ASP 101 117.551 24.744 8.654 727 HB2 ASP 101 1HB ASP 101 117.888 24.748 6.180 728 HB3 ASP 101 2HB ASP 101 116.312 23.976 6.005 729 H THR 102 H THR 102 115.527 22.024 7.570 730 HA THR 102 HA THR 102 113.437 22.950 9.457 731 HB THR 102 HB THR 102 111.713 22.287 7.864 732 HG1 THR 102 HG1 THR 102 112.553 20.765 6.612 733 HG21 THR 102 3HG2 THR 102 111.853 24.171 6.480 734 HG22 THR 102 1HG2 THR 102 113.603 24.026 6.300 735 HG23 THR 102 2HG2 THR 102 112.918 24.601 7.820 736 H SER 103 H SER 103 112.145 21.331 10.375 737 HA SER 103 HA SER 103 112.872 18.536 9.831 738 HB2 SER 103 1HB SER 103 112.803 19.775 12.594 739 HB3 SER 103 2HB SER 103 112.992 18.058 12.249 740 HG SER 103 HG SER 103 114.817 20.065 12.181 741 H ASP 104 H ASP 104 111.188 17.075 10.157 742 HA ASP 104 HA ASP 104 108.706 18.018 11.374 743 HB2 ASP 104 1HB ASP 104 108.582 18.695 8.973 744 HB3 ASP 104 2HB ASP 104 108.752 16.997 8.527 745 H TYR 105 H TYR 105 107.476 16.374 12.212 746 HA TYR 105 HA TYR 105 108.567 13.636 11.929 747 HB2 TYR 105 1HB TYR 105 106.812 14.767 14.112 748 HB3 TYR 105 2HB TYR 105 107.554 13.179 14.085 749 HD1 TYR 105 HD1 TYR 105 108.103 16.778 14.587 750 HD2 TYR 105 HD2 TYR 105 109.941 12.898 14.531 751 HE1 TYR 105 HE1 TYR 105 110.096 17.706 15.733 752 HE2 TYR 105 HE2 TYR 105 111.937 13.826 15.676 753 HH TYR 105 HH TYR 105 111.951 16.947 17.096 754 H GLY 106 H GLY 106 107.208 11.951 11.344 755 HA2 GLY 106 1HA GLY 106 104.328 12.519 11.103 756 HA3 GLY 106 2HA GLY 106 105.200 11.935 9.686 757 H PHE 107 H PHE 107 103.052 10.514 10.810 758 HA PHE 107 HA PHE 107 104.400 8.193 12.071 759 HB2 PHE 107 1HB PHE 107 101.501 9.032 12.024 760 HB3 PHE 107 2HB PHE 107 102.060 7.484 12.633 761 HD1 PHE 107 HD1 PHE 107 103.295 7.330 14.736 762 HD2 PHE 107 HD2 PHE 107 101.927 11.112 13.227 763 HE1 PHE 107 HE1 PHE 107 103.718 8.366 16.950 764 HE2 PHE 107 HE2 PHE 107 102.347 12.147 15.440 765 HZ PHE 107 HZ PHE 107 103.243 10.774 17.301 766 H SER 108 H SER 108 104.707 6.436 10.845 767 HA SER 108 HA SER 108 103.264 6.300 8.253 768 HB2 SER 108 1HB SER 108 105.857 4.950 9.038 769 HB3 SER 108 2HB SER 108 105.139 5.018 7.432 770 HG SER 108 HG SER 108 105.970 6.933 7.199 771 H TYR 109 H TYR 109 102.078 4.549 7.734 772 HA TYR 109 HA TYR 109 102.100 2.232 9.587 773 HB2 TYR 109 1HB TYR 109 99.705 3.427 8.176 774 HB3 TYR 109 2HB TYR 109 99.691 2.005 9.202 775 HD1 TYR 109 HD1 TYR 109 100.007 5.682 9.117 776 HD2 TYR 109 HD2 TYR 109 99.746 2.199 11.617 777 HE1 TYR 109 HE1 TYR 109 99.582 7.127 11.087 778 HE2 TYR 109 HE2 TYR 109 99.325 3.643 13.587 779 HH TYR 109 HH TYR 109 98.333 6.699 13.444 780 H GLY 110 H GLY 110 102.105 0.207 8.576 781 HA2 GLY 110 1HA GLY 110 101.775 0.152 5.654 782 HA3 GLY 110 2HA GLY 110 103.322 -0.355 6.319 783 H ALA 111 H ALA 111 101.531 -1.939 4.774 784 HA ALA 111 HA ALA 111 101.398 -4.208 6.624 785 HB1 ALA 111 1HB ALA 111 99.087 -3.779 4.757 786 HB2 ALA 111 2HB ALA 111 99.088 -3.011 6.344 787 HB3 ALA 111 3HB ALA 111 99.169 -4.768 6.215 788 H GLY 112 H GLY 112 101.648 -6.214 5.581 789 HA2 GLY 112 1HA GLY 112 101.977 -6.215 2.667 790 HA3 GLY 112 2HA GLY 112 103.408 -6.566 3.628 791 H LEU 113 H LEU 113 102.335 -8.323 1.773 792 HA LEU 113 HA LEU 113 101.256 -10.508 3.455 793 HB2 LEU 113 1HB LEU 113 101.063 -10.109 0.454 794 HB3 LEU 113 2HB LEU 113 100.483 -11.531 1.325 795 HG LEU 113 HG LEU 113 99.176 -9.744 2.763 796 HD11 LEU 113 1HD1 LEU 113 98.423 -7.931 1.011 797 HD12 LEU 113 2HD1 LEU 113 99.986 -8.272 0.273 798 HD13 LEU 113 3HD1 LEU 113 99.905 -7.687 1.933 799 HD21 LEU 113 3HD2 LEU 113 98.415 -10.569 -0.056 800 HD22 LEU 113 1HD2 LEU 113 97.283 -9.900 1.119 801 HD23 LEU 113 2HD2 LEU 113 98.065 -11.450 1.432 802 H GLN 114 H GLN 114 102.287 -12.602 3.231 803 HA GLN 114 HA GLN 114 104.913 -12.510 1.879 804 HB2 GLN 114 1HB GLN 114 104.498 -13.195 4.796 805 HB3 GLN 114 2HB GLN 114 105.997 -13.444 3.902 806 HG2 GLN 114 1HG GLN 114 106.166 -11.059 3.438 807 HG3 GLN 114 2HG GLN 114 104.618 -10.767 4.225 808 HE21 GLN 114 1HE2 GLN 114 107.024 -9.489 5.121 809 HE22 GLN 114 2HE2 GLN 114 107.400 -10.086 6.664 810 H PHE 115 H PHE 115 105.594 -14.362 1.040 811 HA PHE 115 HA PHE 115 104.377 -16.887 1.967 812 HB2 PHE 115 1HB PHE 115 103.352 -16.297 -0.203 813 HB3 PHE 115 2HB PHE 115 104.950 -16.148 -0.910 814 HD1 PHE 115 HD1 PHE 115 102.610 -18.558 0.707 815 HD2 PHE 115 HD2 PHE 115 106.077 -18.041 -1.776 816 HE1 PHE 115 HE1 PHE 115 102.582 -20.976 0.164 817 HE2 PHE 115 HE2 PHE 115 106.048 -20.460 -2.320 818 HZ PHE 115 HZ PHE 115 104.300 -21.928 -1.350 819 H ASN 116 H ASN 116 106.010 -18.112 2.777 820 HA ASN 116 HA ASN 116 108.750 -17.470 1.838 821 HB2 ASN 116 1HB ASN 116 107.854 -18.362 4.573 822 HB3 ASN 116 2HB ASN 116 109.508 -17.986 4.091 823 HD21 ASN 116 1HD2 ASN 116 106.306 -16.548 4.687 824 HD22 ASN 116 2HD2 ASN 116 106.863 -14.949 4.790 825 HA PRO 117 HA PRO 117 109.470 -21.908 1.948 826 HB2 PRO 117 1HB PRO 117 110.939 -22.066 -0.370 827 HB3 PRO 117 2HB PRO 117 109.173 -22.219 -0.332 828 HG2 PRO 117 1HG PRO 117 110.757 -20.130 -1.484 829 HG3 PRO 117 2HG PRO 117 109.000 -20.335 -1.518 830 HD2 PRO 117 1HD PRO 117 110.646 -18.636 0.271 831 HD3 PRO 117 2HD PRO 117 108.928 -18.481 -0.170 832 H MET 118 H MET 118 111.789 -22.968 1.828 833 HA MET 118 HA MET 118 113.571 -21.545 3.469 834 HB2 MET 118 1HB MET 118 114.081 -23.885 1.617 835 HB3 MET 118 2HB MET 118 115.219 -23.307 2.834 836 HG2 MET 118 1HG MET 118 113.488 -23.679 4.588 837 HG3 MET 118 2HG MET 118 112.421 -24.352 3.353 838 HE1 MET 118 3HE MET 118 112.712 -25.742 5.654 839 HE2 MET 118 1HE MET 118 113.599 -27.272 5.613 840 HE3 MET 118 2HE MET 118 112.273 -26.987 4.487 841 H GLU 119 H GLU 119 115.879 -21.044 2.838 842 HA GLU 119 HA GLU 119 117.472 -19.988 1.591 843 HB2 GLU 119 1HB GLU 119 115.830 -20.979 -0.751 844 HB3 GLU 119 2HB GLU 119 117.469 -20.345 -0.847 845 HG2 GLU 119 1HG GLU 119 116.637 -22.753 0.790 846 HG3 GLU 119 2HG GLU 119 117.431 -22.823 -0.779 847 H ASN 120 H ASN 120 117.496 -18.434 -0.577 848 HA ASN 120 HA ASN 120 116.464 -15.966 0.250 849 HB2 ASN 120 1HB ASN 120 117.521 -16.848 -2.436 850 HB3 ASN 120 2HB ASN 120 117.235 -15.173 -1.969 851 HD21 ASN 120 1HD2 ASN 120 119.858 -16.243 -2.648 852 HD22 ASN 120 2HD2 ASN 120 120.819 -16.139 -1.251 853 H VAL 121 H VAL 121 114.708 -18.437 -1.185 854 HA VAL 121 HA VAL 121 113.444 -16.962 -3.290 855 HB VAL 121 HB VAL 121 112.641 -19.698 -2.290 856 HG11 VAL 121 1HG1 VAL 121 112.230 -18.092 -4.798 857 HG12 VAL 121 2HG1 VAL 121 111.065 -19.053 -3.888 858 HG13 VAL 121 3HG1 VAL 121 112.259 -19.853 -4.902 859 HG21 VAL 121 3HG2 VAL 121 114.215 -20.608 -3.985 860 HG22 VAL 121 1HG2 VAL 121 115.066 -19.732 -2.713 861 HG23 VAL 121 2HG2 VAL 121 114.814 -18.977 -4.286 862 H ALA 122 H ALA 122 112.907 -16.187 -0.295 863 HA ALA 122 HA ALA 122 109.972 -16.554 -0.303 864 HB1 ALA 122 1HB ALA 122 111.195 -17.242 1.739 865 HB2 ALA 122 2HB ALA 122 110.114 -15.887 2.063 866 HB3 ALA 122 3HB ALA 122 111.846 -15.611 1.887 867 H LEU 123 H LEU 123 108.590 -14.739 -0.275 868 HA LEU 123 HA LEU 123 109.930 -12.185 -0.975 869 HB2 LEU 123 1HB LEU 123 107.619 -13.436 -2.471 870 HB3 LEU 123 2HB LEU 123 108.387 -11.894 -2.839 871 HG LEU 123 HG LEU 123 109.793 -14.582 -2.878 872 HD11 LEU 123 1HD1 LEU 123 108.260 -14.500 -4.728 873 HD12 LEU 123 2HD1 LEU 123 109.853 -14.104 -5.372 874 HD13 LEU 123 3HD1 LEU 123 108.677 -12.823 -5.076 875 HD21 LEU 123 3HD2 LEU 123 110.643 -11.737 -3.386 876 HD22 LEU 123 1HD2 LEU 123 111.457 -13.064 -4.216 877 HD23 LEU 123 2HD2 LEU 123 111.465 -12.988 -2.454 878 H ASP 124 H ASP 124 108.823 -10.302 -0.554 879 HA ASP 124 HA ASP 124 106.201 -10.508 0.782 880 HB2 ASP 124 1HB ASP 124 107.935 -10.381 2.532 881 HB3 ASP 124 2HB ASP 124 108.562 -8.908 1.799 882 H PHE 125 H PHE 125 104.802 -8.826 0.345 883 HA PHE 125 HA PHE 125 105.874 -6.520 -1.189 884 HB2 PHE 125 1HB PHE 125 103.239 -7.948 -1.596 885 HB3 PHE 125 2HB PHE 125 103.717 -6.464 -2.401 886 HD1 PHE 125 HD1 PHE 125 105.574 -6.487 -4.063 887 HD2 PHE 125 HD2 PHE 125 104.052 -10.092 -2.290 888 HE1 PHE 125 HE1 PHE 125 106.661 -7.823 -5.848 889 HE2 PHE 125 HE2 PHE 125 105.140 -11.428 -4.073 890 HZ PHE 125 HZ PHE 125 106.446 -10.295 -5.852 891 H SER 126 H SER 126 105.261 -4.519 -0.406 892 HA SER 126 HA SER 126 103.154 -4.453 1.657 893 HB2 SER 126 1HB SER 126 105.521 -4.813 2.631 894 HB3 SER 126 2HB SER 126 105.805 -3.139 2.172 895 HG SER 126 HG SER 126 104.725 -2.613 3.890 896 H TYR 127 H TYR 127 102.284 -2.409 2.088 897 HA TYR 127 HA TYR 127 103.127 -0.211 0.299 898 HB2 TYR 127 1HB TYR 127 100.967 -1.204 -0.419 899 HB3 TYR 127 2HB TYR 127 100.309 -0.871 1.173 900 HD1 TYR 127 HD1 TYR 127 99.763 1.411 1.860 901 HD2 TYR 127 HD2 TYR 127 101.378 0.577 -2.032 902 HE1 TYR 127 HE1 TYR 127 99.107 3.680 1.101 903 HE2 TYR 127 HE2 TYR 127 100.722 2.845 -2.790 904 HH TYR 127 HH TYR 127 99.343 4.633 -2.260 905 H GLU 128 H GLU 128 103.245 1.805 1.251 906 HA GLU 128 HA GLU 128 102.783 1.904 4.179 907 HB2 GLU 128 1HB GLU 128 105.212 1.802 3.464 908 HB3 GLU 128 2HB GLU 128 104.965 3.362 2.678 909 HG2 GLU 128 1HG GLU 128 105.830 3.845 4.856 910 HG3 GLU 128 2HG GLU 128 104.112 4.228 4.904 911 H GLN 129 H GLN 129 101.849 3.754 4.989 912 HA GLN 129 HA GLN 129 101.079 5.836 3.026 913 HB2 GLN 129 1HB GLN 129 99.189 4.301 3.614 914 HB3 GLN 129 2HB GLN 129 99.364 4.806 5.296 915 HG2 GLN 129 1HG GLN 129 97.666 6.207 4.399 916 HG3 GLN 129 2HG GLN 129 99.114 7.209 4.446 917 HE21 GLN 129 1HE2 GLN 129 99.525 8.302 2.525 918 HE22 GLN 129 2HE2 GLN 129 99.004 7.801 0.990 919 H SER 130 H SER 130 101.547 7.836 3.599 920 HA SER 130 HA SER 130 102.072 8.454 6.447 921 HB2 SER 130 1HB SER 130 103.078 10.056 4.093 922 HB3 SER 130 2HB SER 130 103.586 10.159 5.771 923 HG SER 130 HG SER 130 105.095 8.940 4.687 924 H ARG 131 H ARG 131 101.199 10.467 7.220 925 HA ARG 131 HA ARG 131 98.486 10.604 6.143 926 HB2 ARG 131 1HB ARG 131 99.651 11.581 8.765 927 HB3 ARG 131 2HB ARG 131 97.946 11.659 8.321 928 HG2 ARG 131 1HG ARG 131 97.970 9.170 8.013 929 HG3 ARG 131 2HG ARG 131 99.619 9.153 8.636 930 HD2 ARG 131 1HD ARG 131 97.147 10.097 10.116 931 HD3 ARG 131 2HD ARG 131 98.072 8.640 10.442 932 HE ARG 131 HE ARG 131 99.767 9.946 11.410 933 HH11 ARG 131 1HH1 ARG 131 97.247 12.026 10.099 934 HH12 ARG 131 2HH1 ARG 131 97.807 13.408 10.978 935 HH21 ARG 131 1HH2 ARG 131 100.427 11.769 12.506 936 HH22 ARG 131 2HH2 ARG 131 99.579 13.267 12.316 937 H ILE 132 H ILE 132 97.372 12.785 6.025 938 HA ILE 132 HA ILE 132 99.198 13.758 3.995 939 HB ILE 132 HB ILE 132 97.059 12.805 3.344 940 HG12 ILE 132 1HG1 ILE 132 96.859 15.727 2.682 941 HG13 ILE 132 2HG1 ILE 132 98.266 14.805 2.147 942 HG21 ILE 132 1HG2 ILE 132 95.590 15.223 4.326 943 HG22 ILE 132 2HG2 ILE 132 95.906 13.911 5.459 944 HG23 ILE 132 3HG2 ILE 132 94.989 13.601 3.988 945 HD11 ILE 132 3HD1 ILE 132 96.722 13.143 1.099 946 HD12 ILE 132 1HD1 ILE 132 96.573 14.751 0.396 947 HD13 ILE 132 2HD1 ILE 132 95.362 14.174 1.542 948 H ARG 133 H ARG 133 100.426 15.248 4.956 949 HA ARG 133 HA ARG 133 99.332 17.920 5.366 950 HB2 ARG 133 1HB ARG 133 102.198 17.020 4.925 951 HB3 ARG 133 2HB ARG 133 101.674 18.612 5.470 952 HG2 ARG 133 1HG ARG 133 101.132 16.037 6.973 953 HG3 ARG 133 2HG ARG 133 102.462 17.135 7.336 954 HD2 ARG 133 1HD ARG 133 100.791 18.967 7.675 955 HD3 ARG 133 2HD ARG 133 99.505 17.784 7.452 956 HE ARG 133 HE ARG 133 99.958 16.937 9.567 957 HH11 ARG 133 1HH1 ARG 133 102.533 19.143 8.658 958 HH12 ARG 133 2HH1 ARG 133 103.229 19.142 10.244 959 HH21 ARG 133 1HH2 ARG 133 100.898 16.976 11.589 960 HH22 ARG 133 2HH2 ARG 133 102.314 17.932 11.882 961 H SER 134 H SER 134 100.800 19.528 3.745 962 HA SER 134 HA SER 134 99.424 19.423 1.336 963 HB2 SER 134 1HB SER 134 100.945 21.126 0.536 964 HB3 SER 134 2HB SER 134 100.613 21.411 2.240 965 HG SER 134 HG SER 134 102.683 21.240 2.526 966 H VAL 135 H VAL 135 102.239 17.535 2.190 967 HA VAL 135 HA VAL 135 102.092 16.378 -0.534 968 HB VAL 135 HB VAL 135 104.312 17.337 -0.062 969 HG11 VAL 135 1HG1 VAL 135 104.182 17.053 2.426 970 HG12 VAL 135 2HG1 VAL 135 105.698 16.476 1.731 971 HG13 VAL 135 3HG1 VAL 135 104.448 15.324 2.197 972 HG21 VAL 135 3HG2 VAL 135 105.605 15.395 -0.669 973 HG22 VAL 135 1HG2 VAL 135 104.013 15.219 -1.409 974 HG23 VAL 135 2HG2 VAL 135 104.412 14.311 0.050 975 H ASP 136 H ASP 136 101.449 14.298 -0.661 976 HA ASP 136 HA ASP 136 101.083 12.792 1.863 977 HB2 ASP 136 1HB ASP 136 98.979 13.483 0.686 978 HB3 ASP 136 2HB ASP 136 99.494 12.522 -0.698 979 H VAL 137 H VAL 137 101.734 10.577 1.910 980 HA VAL 137 HA VAL 137 103.596 9.946 -0.333 981 HB VAL 137 HB VAL 137 103.772 8.900 2.493 982 HG11 VAL 137 1HG1 VAL 137 105.457 8.726 0.013 983 HG12 VAL 137 2HG1 VAL 137 104.957 7.437 1.107 984 HG13 VAL 137 3HG1 VAL 137 106.202 8.583 1.605 985 HG21 VAL 137 3HG2 VAL 137 105.379 11.131 1.204 986 HG22 VAL 137 1HG2 VAL 137 105.558 10.526 2.851 987 HG23 VAL 137 2HG2 VAL 137 104.093 11.390 2.385 988 H GLY 138 H GLY 138 103.140 8.280 -1.569 989 HA2 GLY 138 1HA GLY 138 101.789 5.934 -0.359 990 HA3 GLY 138 2HA GLY 138 101.485 6.442 -2.023 991 H THR 139 H THR 139 103.247 4.278 -0.206 992 HA THR 139 HA THR 139 105.406 4.139 -2.236 993 HB THR 139 HB THR 139 105.684 3.555 0.718 994 HG1 THR 139 HG1 THR 139 105.419 5.810 0.043 995 HG21 THR 139 3HG2 THR 139 107.332 2.270 -0.276 996 HG22 THR 139 1HG2 THR 139 108.182 3.807 -0.122 997 HG23 THR 139 2HG2 THR 139 107.478 3.341 -1.670 998 H TRP 140 H TRP 140 105.714 2.191 -3.158 999 HA TRP 140 HA TRP 140 104.531 -0.189 -1.819 1000 HB2 TRP 140 1HB TRP 140 104.079 -1.134 -4.008 1001 HB3 TRP 140 2HB TRP 140 103.259 0.404 -3.834 1002 HD1 TRP 140 HD1 TRP 140 104.130 2.439 -5.308 1003 HE1 TRP 140 HE1 TRP 140 105.527 2.506 -7.473 1004 HE3 TRP 140 HE3 TRP 140 106.016 -2.307 -5.290 1005 HZ2 TRP 140 HZ2 TRP 140 107.224 0.773 -8.998 1006 HZ3 TRP 140 HZ3 TRP 140 107.515 -3.072 -7.104 1007 HH2 TRP 140 HH2 TRP 140 108.122 -1.541 -8.957 1008 H ILE 141 H ILE 141 105.894 -1.934 -1.582 1009 HA ILE 141 HA ILE 141 108.610 -1.665 -2.726 1010 HB ILE 141 HB ILE 141 108.587 -0.769 -0.428 1011 HG12 ILE 141 1HG1 ILE 141 109.958 -3.461 -0.410 1012 HG13 ILE 141 2HG1 ILE 141 110.533 -2.127 -1.410 1013 HG21 ILE 141 1HG2 ILE 141 106.667 -2.275 0.307 1014 HG22 ILE 141 2HG2 ILE 141 107.986 -2.082 1.459 1015 HG23 ILE 141 3HG2 ILE 141 107.868 -3.553 0.492 1016 HD11 ILE 141 3HD1 ILE 141 110.459 -2.347 1.584 1017 HD12 ILE 141 1HD1 ILE 141 110.396 -0.757 0.825 1018 HD13 ILE 141 2HD1 ILE 141 111.776 -1.816 0.540 1019 H ALA 142 H ALA 142 109.679 -3.539 -3.188 1020 HA ALA 142 HA ALA 142 108.310 -6.095 -2.556 1021 HB1 ALA 142 1HB ALA 142 109.610 -6.842 -4.722 1022 HB2 ALA 142 2HB ALA 142 109.547 -5.124 -5.111 1023 HB3 ALA 142 3HB ALA 142 108.052 -6.027 -4.867 1024 H GLY 143 H GLY 143 109.601 -7.628 -1.585 1025 HA2 GLY 143 1HA GLY 143 112.505 -7.071 -1.447 1026 HA3 GLY 143 2HA GLY 143 111.576 -7.280 0.030 1027 H VAL 144 H VAL 144 113.810 -8.811 -0.896 1028 HA VAL 144 HA VAL 144 112.578 -11.490 -1.167 1029 HB VAL 144 HB VAL 144 115.336 -10.621 -2.087 1030 HG11 VAL 144 1HG1 VAL 144 113.804 -13.204 -2.513 1031 HG12 VAL 144 2HG1 VAL 144 115.130 -12.994 -1.370 1032 HG13 VAL 144 3HG1 VAL 144 115.428 -12.846 -3.100 1033 HG21 VAL 144 3HG2 VAL 144 114.187 -11.260 -4.372 1034 HG22 VAL 144 1HG2 VAL 144 113.929 -9.656 -3.685 1035 HG23 VAL 144 2HG2 VAL 144 112.696 -10.902 -3.499 1036 H GLY 145 H GLY 145 113.307 -13.054 0.318 1037 HA2 GLY 145 1HA GLY 145 115.202 -12.114 2.374 1038 HA3 GLY 145 2HA GLY 145 113.589 -12.615 2.847 1039 H TYR 146 H TYR 146 115.788 -13.692 3.919 1040 HA TYR 146 HA TYR 146 115.744 -16.499 3.013 1041 HB2 TYR 146 1HB TYR 146 117.848 -15.550 2.257 1042 HB3 TYR 146 2HB TYR 146 118.133 -14.833 3.827 1043 HD1 TYR 146 HD1 TYR 146 118.198 -17.935 1.847 1044 HD2 TYR 146 HD2 TYR 146 118.901 -16.184 5.706 1045 HE1 TYR 146 HE1 TYR 146 119.449 -19.961 2.542 1046 HE2 TYR 146 HE2 TYR 146 120.153 -18.210 6.399 1047 HH TYR 146 HH TYR 146 121.231 -20.535 4.221 1048 H ARG 147 H ARG 147 116.018 -18.009 4.770 1049 HA ARG 147 HA ARG 147 115.925 -16.852 7.480 1050 HB2 ARG 147 1HB ARG 147 114.055 -18.271 8.107 1051 HB3 ARG 147 2HB ARG 147 113.599 -17.252 6.746 1052 HG2 ARG 147 1HG ARG 147 114.151 -19.177 5.215 1053 HG3 ARG 147 2HG ARG 147 114.379 -20.179 6.648 1054 HD2 ARG 147 1HD ARG 147 112.051 -19.606 7.360 1055 HD3 ARG 147 2HD ARG 147 111.836 -18.741 5.840 1056 HE ARG 147 HE ARG 147 112.707 -21.312 5.200 1057 HH11 ARG 147 1HH1 ARG 147 109.901 -19.874 6.741 1058 HH12 ARG 147 2HH1 ARG 147 108.844 -21.150 6.235 1059 HH21 ARG 147 1HH2 ARG 147 111.299 -22.927 4.578 1060 HH22 ARG 147 2HH2 ARG 147 109.628 -22.856 5.027 1061 H PHE 148 H PHE 148 116.668 -18.188 9.141 1062 HA PHE 148 HA PHE 148 118.477 -20.298 8.213 1063 HB2 PHE 148 1HB PHE 148 118.176 -18.934 10.891 1064 HB3 PHE 148 2HB PHE 148 119.353 -20.186 10.540 1065 HD1 PHE 148 HD1 PHE 148 118.395 -16.680 9.991 1066 HD2 PHE 148 HD2 PHE 148 121.293 -19.731 9.120 1067 HE1 PHE 148 HE1 PHE 148 119.967 -14.951 9.160 1068 HE2 PHE 148 HE2 PHE 148 122.865 -18.001 8.291 1069 HZ PHE 148 HZ PHE 148 122.202 -15.612 8.310 Start of MODEL 11 1 H1 ALA 1 3H ALA 1 119.566 -20.466 17.054 2 H2 ALA 1 2H ALA 1 118.289 -21.553 16.782 3 H3 ALA 1 HT3 ALA 1 118.622 -21.004 18.356 4 HA ALA 1 HA ALA 1 116.774 -19.766 17.718 5 HB1 ALA 1 2HB ALA 1 117.690 -17.470 17.433 6 HB2 ALA 1 3HB ALA 1 119.274 -18.166 17.093 7 HB3 ALA 1 1HB ALA 1 118.543 -18.373 18.684 8 H THR 2 H THR 2 116.017 -18.022 16.054 9 HA THR 2 HA THR 2 116.678 -18.876 13.304 10 HB THR 2 HB THR 2 114.615 -20.009 13.983 11 HG1 THR 2 HG1 THR 2 113.418 -19.315 12.262 12 HG21 THR 2 3HG2 THR 2 114.009 -18.287 15.726 13 HG22 THR 2 1HG2 THR 2 112.664 -18.795 14.704 14 HG23 THR 2 2HG2 THR 2 113.458 -17.247 14.415 15 H SER 3 H SER 3 116.237 -17.287 11.674 16 HA SER 3 HA SER 3 115.484 -14.611 12.449 17 HB2 SER 3 1HB SER 3 117.593 -13.531 12.037 18 HB3 SER 3 2HB SER 3 117.869 -14.801 13.224 19 HG SER 3 HG SER 3 118.346 -14.903 10.423 20 H THR 4 H THR 4 115.371 -13.156 10.643 21 HA THR 4 HA THR 4 115.608 -14.430 7.985 22 HB THR 4 HB THR 4 113.307 -12.686 8.889 23 HG1 THR 4 HG1 THR 4 112.295 -14.470 9.350 24 HG21 THR 4 3HG2 THR 4 113.443 -12.374 6.589 25 HG22 THR 4 1HG2 THR 4 112.396 -13.790 6.680 26 HG23 THR 4 2HG2 THR 4 114.107 -13.982 6.307 27 H VAL 5 H VAL 5 116.420 -13.129 6.403 28 HA VAL 5 HA VAL 5 116.861 -10.265 7.069 29 HB VAL 5 HB VAL 5 118.739 -12.069 5.517 30 HG11 VAL 5 1HG1 VAL 5 119.031 -9.213 6.502 31 HG12 VAL 5 2HG1 VAL 5 118.765 -9.691 4.824 32 HG13 VAL 5 3HG1 VAL 5 120.263 -10.137 5.644 33 HG21 VAL 5 3HG2 VAL 5 120.220 -11.471 7.583 34 HG22 VAL 5 1HG2 VAL 5 119.010 -12.742 7.756 35 HG23 VAL 5 2HG2 VAL 5 118.685 -11.126 8.379 36 H THR 6 H THR 6 115.814 -8.970 5.715 37 HA THR 6 HA THR 6 115.439 -9.837 2.908 38 HB THR 6 HB THR 6 113.417 -8.326 4.575 39 HG1 THR 6 HG1 THR 6 113.159 -10.947 3.586 40 HG21 THR 6 3HG2 THR 6 113.585 -9.230 1.722 41 HG22 THR 6 1HG2 THR 6 112.971 -7.713 2.380 42 HG23 THR 6 2HG2 THR 6 112.011 -9.186 2.515 43 H GLY 7 H GLY 7 115.748 -8.305 1.359 44 HA2 GLY 7 1HA GLY 7 116.035 -5.486 2.213 45 HA3 GLY 7 2HA GLY 7 117.235 -6.219 1.142 46 H GLY 8 H GLY 8 115.134 -4.007 0.746 47 HA2 GLY 8 1HA GLY 8 114.185 -4.967 -1.837 48 HA3 GLY 8 2HA GLY 8 112.926 -4.646 -0.654 49 H TYR 9 H TYR 9 112.517 -3.225 -2.678 50 HA TYR 9 HA TYR 9 113.813 -0.585 -2.308 51 HB2 TYR 9 1HB TYR 9 112.681 -1.779 -4.844 52 HB3 TYR 9 2HB TYR 9 113.357 -0.169 -4.685 53 HD1 TYR 9 HD2 TYR 9 115.772 0.168 -4.478 54 HD2 TYR 9 HD1 TYR 9 114.091 -3.765 -4.865 55 HE1 TYR 9 HE2 TYR 9 118.022 -0.742 -4.993 56 HE2 TYR 9 HE1 TYR 9 116.340 -4.676 -5.380 57 HH TYR 9 HH TYR 9 118.484 -4.212 -5.695 58 H ALA 10 H ALA 10 112.500 1.193 -2.267 59 HA ALA 10 HA ALA 10 109.578 0.710 -2.224 60 HB1 ALA 10 1HB ALA 10 109.410 2.344 -0.442 61 HB2 ALA 10 2HB ALA 10 111.133 2.699 -0.549 62 HB3 ALA 10 3HB ALA 10 110.592 1.126 0.034 63 H GLN 11 H GLN 11 108.342 2.114 -3.389 64 HA GLN 11 HA GLN 11 109.657 4.542 -4.484 65 HB2 GLN 11 1HB GLN 11 107.665 2.719 -5.860 66 HB3 GLN 11 2HB GLN 11 108.252 4.252 -6.505 67 HG2 GLN 11 1HG GLN 11 110.585 3.356 -6.362 68 HG3 GLN 11 2HG GLN 11 109.924 1.807 -5.872 69 HE21 GLN 11 1HE2 GLN 11 107.698 2.927 -8.157 70 HE22 GLN 11 2HE2 GLN 11 108.405 2.247 -9.539 71 H SER 12 H SER 12 108.580 6.401 -4.091 72 HA SER 12 HA SER 12 105.825 6.180 -2.999 73 HB2 SER 12 1HB SER 12 107.877 8.312 -2.381 74 HB3 SER 12 2HB SER 12 106.288 8.136 -1.653 75 HG SER 12 HG SER 12 108.406 6.238 -1.547 76 H ASP 13 H ASP 13 104.308 7.697 -3.642 77 HA ASP 13 HA ASP 13 104.674 8.520 -6.378 78 HB2 ASP 13 1HB ASP 13 102.336 8.846 -4.486 79 HB3 ASP 13 2HB ASP 13 102.298 9.229 -6.205 80 H ALA 14 H ALA 14 104.788 10.511 -7.220 81 HA ALA 14 HA ALA 14 105.379 12.705 -5.338 82 HB1 ALA 14 1HB ALA 14 106.462 11.909 -8.000 83 HB2 ALA 14 2HB ALA 14 107.306 12.504 -6.571 84 HB3 ALA 14 3HB ALA 14 106.426 13.626 -7.605 85 H GLN 15 H GLN 15 104.418 14.665 -5.538 86 HA GLN 15 HA GLN 15 102.036 14.837 -7.222 87 HB2 GLN 15 1HB GLN 15 103.148 16.710 -5.115 88 HB3 GLN 15 2HB GLN 15 101.634 16.958 -5.983 89 HG2 GLN 15 1HG GLN 15 100.742 14.864 -5.098 90 HG3 GLN 15 2HG GLN 15 102.270 14.526 -4.289 91 HE21 GLN 15 1HE2 GLN 15 99.806 14.741 -2.833 92 HE22 GLN 15 2HE2 GLN 15 99.894 16.118 -1.847 93 H GLY 16 H GLY 16 101.696 16.751 -8.591 94 HA2 GLY 16 1HA GLY 16 103.591 16.766 -10.590 95 HA3 GLY 16 2HA GLY 16 102.348 17.995 -10.413 96 H GLN 17 H GLN 17 104.990 18.326 -11.420 97 HA GLN 17 HA GLN 17 106.820 19.667 -11.326 98 HB2 GLN 17 1HB GLN 17 105.308 21.031 -9.085 99 HB3 GLN 17 2HB GLN 17 106.758 21.653 -9.868 100 HG2 GLN 17 1HG GLN 17 105.622 21.716 -12.024 101 HG3 GLN 17 2HG GLN 17 104.179 20.993 -11.315 102 HE21 GLN 17 1HE2 GLN 17 104.097 23.549 -12.609 103 HE22 GLN 17 2HE2 GLN 17 103.764 24.728 -11.435 104 H MET 18 H MET 18 106.693 17.189 -9.714 105 HA MET 18 HA MET 18 109.195 17.685 -8.313 106 HB2 MET 18 1HB MET 18 106.818 16.427 -6.925 107 HB3 MET 18 2HB MET 18 108.468 16.407 -6.305 108 HG2 MET 18 1HG MET 18 108.452 18.930 -6.424 109 HG3 MET 18 2HG MET 18 106.731 18.839 -6.795 110 HE1 MET 18 3HE MET 18 105.133 17.224 -3.761 111 HE2 MET 18 1HE MET 18 105.962 16.167 -4.912 112 HE3 MET 18 2HE MET 18 105.074 17.576 -5.487 113 H ASN 19 H ASN 19 110.199 15.556 -7.635 114 HA ASN 19 HA ASN 19 109.566 13.497 -9.667 115 HB2 ASN 19 1HB ASN 19 111.842 14.644 -9.693 116 HB3 ASN 19 2HB ASN 19 112.172 13.804 -8.180 117 HD21 ASN 19 1HD2 ASN 19 113.041 11.734 -8.394 118 HD22 ASN 19 2HD2 ASN 19 112.961 10.792 -9.802 119 H LYS 20 H LYS 20 109.430 11.343 -9.080 120 HA LYS 20 HA LYS 20 108.357 10.689 -6.597 121 HB2 LYS 20 1HB LYS 20 108.579 8.379 -7.261 122 HB3 LYS 20 2HB LYS 20 108.131 9.334 -8.669 123 HG2 LYS 20 1HG LYS 20 110.547 9.407 -9.326 124 HG3 LYS 20 2HG LYS 20 110.909 8.328 -7.977 125 HD2 LYS 20 1HD LYS 20 109.187 6.726 -8.964 126 HD3 LYS 20 2HD LYS 20 109.200 7.744 -10.405 127 HE2 LYS 20 1HE LYS 20 111.807 7.451 -10.249 128 HE3 LYS 20 2HE LYS 20 111.400 6.036 -9.278 129 HZ1 LYS 20 3HZ LYS 20 111.602 5.455 -11.604 130 HZ2 LYS 20 1HZ LYS 20 110.426 6.602 -12.027 131 HZ3 LYS 20 2HZ LYS 20 109.995 5.252 -11.088 132 H MET 21 H MET 21 109.315 8.978 -5.080 133 HA MET 21 HA MET 21 112.093 9.807 -4.400 134 HB2 MET 21 1HB MET 21 109.838 9.020 -2.538 135 HB3 MET 21 2HB MET 21 111.474 9.454 -2.048 136 HG2 MET 21 1HG MET 21 111.178 11.691 -3.069 137 HG3 MET 21 2HG MET 21 109.525 11.259 -3.509 138 HE1 MET 21 3HE MET 21 109.272 13.880 -0.665 139 HE2 MET 21 1HE MET 21 108.274 13.268 -1.990 140 HE3 MET 21 2HE MET 21 109.963 13.686 -2.275 141 H GLY 22 H GLY 22 113.523 8.203 -3.643 142 HA2 GLY 22 1HA GLY 22 112.582 5.408 -4.060 143 HA3 GLY 22 2HA GLY 22 114.173 5.976 -4.564 144 H GLY 23 H GLY 23 113.044 3.971 -2.448 145 HA2 GLY 23 1HA GLY 23 114.848 4.846 -0.278 146 HA3 GLY 23 2HA GLY 23 113.213 4.316 0.094 147 H PHE 24 H PHE 24 115.957 3.230 0.763 148 HA PHE 24 HA PHE 24 115.565 0.473 -0.270 149 HB2 PHE 24 1HB PHE 24 117.766 1.498 -0.791 150 HB3 PHE 24 2HB PHE 24 118.044 1.722 0.923 151 HD1 PHE 24 HD2 PHE 24 117.864 -0.705 -1.830 152 HD2 PHE 24 HD1 PHE 24 118.555 -0.178 2.377 153 HE1 PHE 24 HE2 PHE 24 118.826 -2.988 -1.702 154 HE2 PHE 24 HE1 PHE 24 119.518 -2.460 2.503 155 HZ PHE 24 HZ PHE 24 119.652 -3.866 0.464 156 H ASN 25 H ASN 25 115.210 -1.162 1.229 157 HA ASN 25 HA ASN 25 115.104 -0.318 4.070 158 HB2 ASN 25 1HB ASN 25 112.925 -1.406 4.287 159 HB3 ASN 25 2HB ASN 25 112.864 -0.117 3.089 160 HD21 ASN 25 1HD2 ASN 25 111.797 -0.724 1.209 161 HD22 ASN 25 2HD2 ASN 25 111.720 -2.304 0.597 162 H LEU 26 H LEU 26 115.562 -1.823 5.570 163 HA LEU 26 HA LEU 26 116.031 -4.609 4.675 164 HB2 LEU 26 1HB LEU 26 117.561 -3.091 6.807 165 HB3 LEU 26 2HB LEU 26 117.834 -4.764 6.325 166 HG LEU 26 HG LEU 26 118.092 -2.379 4.471 167 HD11 LEU 26 1HD1 LEU 26 120.195 -4.057 5.874 168 HD12 LEU 26 2HD1 LEU 26 119.852 -2.352 6.173 169 HD13 LEU 26 3HD1 LEU 26 120.533 -2.857 4.628 170 HD21 LEU 26 3HD2 LEU 26 117.647 -4.211 3.084 171 HD22 LEU 26 1HD2 LEU 26 118.418 -5.355 4.182 172 HD23 LEU 26 2HD2 LEU 26 119.406 -4.277 3.196 173 H LYS 27 H LYS 27 115.209 -6.220 6.027 174 HA LYS 27 HA LYS 27 113.647 -5.281 8.365 175 HB2 LYS 27 1HB LYS 27 112.753 -7.235 6.234 176 HB3 LYS 27 2HB LYS 27 111.867 -6.863 7.709 177 HG2 LYS 27 1HG LYS 27 111.792 -4.469 7.020 178 HG3 LYS 27 2HG LYS 27 112.571 -4.911 5.500 179 HD2 LYS 27 1HD LYS 27 110.688 -6.490 5.045 180 HD3 LYS 27 2HD LYS 27 109.887 -5.901 6.503 181 HE2 LYS 27 1HE LYS 27 110.737 -4.098 4.224 182 HE3 LYS 27 2HE LYS 27 109.118 -4.781 4.373 183 HZ1 LYS 27 3HZ LYS 27 110.412 -2.701 5.949 184 HZ2 LYS 27 1HZ LYS 27 109.407 -3.776 6.796 185 HZ3 LYS 27 2HZ LYS 27 108.782 -2.872 5.500 186 H TYR 28 H TYR 28 113.672 -6.573 10.122 187 HA TYR 28 HA TYR 28 114.979 -9.225 9.899 188 HB2 TYR 28 1HB TYR 28 114.986 -7.328 12.255 189 HB3 TYR 28 2HB TYR 28 115.715 -8.923 12.222 190 HD1 TYR 28 HD2 TYR 28 117.793 -9.332 10.996 191 HD2 TYR 28 HD1 TYR 28 115.988 -5.435 11.094 192 HE1 TYR 28 HE2 TYR 28 119.895 -8.336 10.136 193 HE2 TYR 28 HE1 TYR 28 118.090 -4.439 10.232 194 HH TYR 28 HH TYR 28 120.714 -6.412 9.071 195 H ARG 29 H ARG 29 113.763 -10.910 10.560 196 HA ARG 29 HA ARG 29 111.357 -10.376 12.189 197 HB2 ARG 29 1HB ARG 29 111.477 -12.016 9.651 198 HB3 ARG 29 2HB ARG 29 110.090 -11.943 10.737 199 HG2 ARG 29 1HG ARG 29 110.014 -9.469 10.408 200 HG3 ARG 29 2HG ARG 29 111.310 -9.617 9.223 201 HD2 ARG 29 1HD ARG 29 108.576 -10.915 9.042 202 HD3 ARG 29 2HD ARG 29 109.134 -9.537 8.102 203 HE ARG 29 HE ARG 29 110.702 -11.996 7.879 204 HH11 ARG 29 1HH1 ARG 29 108.233 -9.949 6.437 205 HH12 ARG 29 2HH1 ARG 29 108.441 -10.647 4.867 206 HH21 ARG 29 1HH2 ARG 29 110.912 -12.852 5.836 207 HH22 ARG 29 2HH2 ARG 29 109.932 -12.268 4.533 208 H TYR 30 H TYR 30 110.803 -11.983 13.630 209 HA TYR 30 HA TYR 30 112.641 -14.300 13.778 210 HB2 TYR 30 1HB TYR 30 110.877 -13.050 15.891 211 HB3 TYR 30 2HB TYR 30 111.884 -14.466 16.125 212 HD1 TYR 30 HD1 TYR 30 114.370 -14.255 16.078 213 HD2 TYR 30 HD2 TYR 30 111.782 -10.831 15.904 214 HE1 TYR 30 HE1 TYR 30 116.276 -12.785 16.676 215 HE2 TYR 30 HE2 TYR 30 113.688 -9.361 16.502 216 HH TYR 30 HH TYR 30 116.626 -10.559 17.702 217 H GLU 31 H GLU 31 111.804 -16.382 13.875 218 HA GLU 31 HA GLU 31 109.060 -16.614 12.874 219 HB2 GLU 31 1HB GLU 31 111.251 -18.687 13.161 220 HB3 GLU 31 2HB GLU 31 109.674 -18.966 12.421 221 HG2 GLU 31 1HG GLU 31 111.704 -16.923 11.480 222 HG3 GLU 31 2HG GLU 31 111.416 -18.484 10.723 223 H GLU 32 H GLU 32 107.445 -17.030 14.175 224 HA GLU 32 HA GLU 32 107.958 -18.327 16.783 225 HB2 GLU 32 1HB GLU 32 106.187 -15.933 16.238 226 HB3 GLU 32 2HB GLU 32 106.329 -16.771 17.785 227 HG2 GLU 32 1HG GLU 32 108.615 -15.438 16.309 228 HG3 GLU 32 2HG GLU 32 107.772 -14.755 17.693 229 H ASP 33 H ASP 33 106.205 -19.441 17.702 230 HA ASP 33 HA ASP 33 104.630 -20.875 15.781 231 HB2 ASP 33 1HB ASP 33 104.641 -20.941 18.807 232 HB3 ASP 33 2HB ASP 33 103.764 -22.071 17.778 233 H ASN 34 H ASN 34 102.232 -21.329 16.663 234 HA ASN 34 HA ASN 34 100.709 -19.111 15.942 235 HB2 ASN 34 1HB ASN 34 99.893 -21.516 17.581 236 HB3 ASN 34 2HB ASN 34 98.781 -20.386 16.811 237 HD21 ASN 34 1HD2 ASN 34 100.031 -19.988 14.317 238 HD22 ASN 34 2HD2 ASN 34 100.077 -21.460 13.472 239 H SER 35 H SER 35 101.901 -20.023 19.151 240 HA SER 35 HA SER 35 99.914 -18.283 20.413 241 HB2 SER 35 1HB SER 35 101.950 -20.161 21.608 242 HB3 SER 35 2HB SER 35 100.773 -19.230 22.528 243 HG SER 35 HG SER 35 100.465 -21.510 21.051 244 HA PRO 36 HA PRO 36 103.488 -15.528 21.178 245 HB2 PRO 36 1HB PRO 36 106.044 -16.263 20.242 246 HB3 PRO 36 2HB PRO 36 105.448 -16.419 21.903 247 HG2 PRO 36 1HG PRO 36 106.113 -18.501 20.152 248 HG3 PRO 36 2HG PRO 36 105.290 -18.640 21.714 249 HD2 PRO 36 1HD PRO 36 104.124 -18.629 18.973 250 HD3 PRO 36 2HD PRO 36 103.563 -19.486 20.427 251 H LEU 37 H LEU 37 103.678 -13.715 19.958 252 HA LEU 37 HA LEU 37 103.182 -13.911 17.125 253 HB2 LEU 37 1HB LEU 37 103.694 -11.465 18.831 254 HB3 LEU 37 2HB LEU 37 103.034 -11.475 17.196 255 HG LEU 37 HG LEU 37 101.742 -12.821 19.589 256 HD11 LEU 37 1HD1 LEU 37 100.038 -10.985 19.287 257 HD12 LEU 37 2HD1 LEU 37 101.158 -10.211 18.165 258 HD13 LEU 37 3HD1 LEU 37 101.610 -10.421 19.856 259 HD21 LEU 37 3HD2 LEU 37 100.960 -12.472 16.687 260 HD22 LEU 37 1HD2 LEU 37 99.771 -12.828 17.938 261 HD23 LEU 37 2HD2 LEU 37 101.073 -13.973 17.608 262 H GLY 38 H GLY 38 104.447 -12.920 15.470 263 HA2 GLY 38 1HA GLY 38 107.322 -13.267 15.894 264 HA3 GLY 38 2HA GLY 38 106.511 -13.044 14.345 265 H VAL 39 H VAL 39 108.847 -11.584 15.698 266 HA VAL 39 HA VAL 39 107.657 -8.877 15.902 267 HB VAL 39 HB VAL 39 110.383 -9.832 16.817 268 HG11 VAL 39 1HG1 VAL 39 108.865 -7.229 17.137 269 HG12 VAL 39 2HG1 VAL 39 110.424 -7.469 16.351 270 HG13 VAL 39 3HG1 VAL 39 110.283 -7.649 18.099 271 HG21 VAL 39 3HG2 VAL 39 109.362 -9.532 19.107 272 HG22 VAL 39 1HG2 VAL 39 108.684 -10.877 18.190 273 HG23 VAL 39 2HG2 VAL 39 107.792 -9.360 18.321 274 H ILE 40 H ILE 40 108.009 -7.457 14.293 275 HA ILE 40 HA ILE 40 110.296 -7.962 12.468 276 HB ILE 40 HB ILE 40 108.174 -8.511 11.355 277 HG12 ILE 40 1HG1 ILE 40 109.230 -5.863 10.328 278 HG13 ILE 40 2HG1 ILE 40 110.082 -7.392 10.121 279 HG21 ILE 40 1HG2 ILE 40 107.442 -5.660 12.071 280 HG22 ILE 40 2HG2 ILE 40 106.637 -7.132 12.611 281 HG23 ILE 40 3HG2 ILE 40 106.548 -6.653 10.921 282 HD11 ILE 40 3HD1 ILE 40 107.770 -8.214 9.157 283 HD12 ILE 40 1HD1 ILE 40 108.866 -7.282 8.137 284 HD13 ILE 40 2HD1 ILE 40 107.491 -6.490 8.906 285 H GLY 41 H GLY 41 111.587 -6.288 12.052 286 HA2 GLY 41 1HA GLY 41 110.660 -3.556 12.684 287 HA3 GLY 41 2HA GLY 41 112.211 -4.120 13.312 288 H SER 42 H SER 42 111.401 -2.011 11.230 289 HA SER 42 HA SER 42 113.260 -2.932 9.118 290 HB2 SER 42 1HB SER 42 111.822 -2.206 7.373 291 HB3 SER 42 2HB SER 42 110.820 -3.176 8.446 292 HG SER 42 HG SER 42 110.374 -0.736 7.685 293 H PHE 43 H PHE 43 114.526 -1.401 8.211 294 HA PHE 43 HA PHE 43 114.236 1.390 9.162 295 HB2 PHE 43 1HB PHE 43 116.144 0.226 10.239 296 HB3 PHE 43 2HB PHE 43 116.800 -0.130 8.654 297 HD1 PHE 43 HD1 PHE 43 117.826 1.625 7.294 298 HD2 PHE 43 HD2 PHE 43 116.217 2.469 11.185 299 HE1 PHE 43 HE1 PHE 43 119.027 3.795 7.318 300 HE2 PHE 43 HE2 PHE 43 117.416 4.640 11.210 301 HZ PHE 43 HZ PHE 43 118.821 5.302 9.277 302 H THR 44 H THR 44 114.084 2.853 7.530 303 HA THR 44 HA THR 44 115.030 2.033 4.839 304 HB THR 44 HB THR 44 113.067 2.999 3.828 305 HG1 THR 44 HG1 THR 44 112.215 3.580 6.464 306 HG21 THR 44 3HG2 THR 44 111.673 1.248 4.238 307 HG22 THR 44 1HG2 THR 44 111.661 1.538 5.977 308 HG23 THR 44 2HG2 THR 44 113.000 0.657 5.240 309 H TYR 45 H TYR 45 116.016 3.585 3.628 310 HA TYR 45 HA TYR 45 115.938 6.371 4.627 311 HB2 TYR 45 1HB TYR 45 118.237 6.705 4.087 312 HB3 TYR 45 2HB TYR 45 118.124 5.311 5.138 313 HD1 TYR 45 HD1 TYR 45 118.719 6.446 1.666 314 HD2 TYR 45 HD2 TYR 45 118.808 3.129 4.396 315 HE1 TYR 45 HE1 TYR 45 120.025 5.125 0.021 316 HE2 TYR 45 HE2 TYR 45 120.110 1.809 2.750 317 HH TYR 45 HH TYR 45 120.412 1.821 0.211 318 H THR 46 H THR 46 115.635 7.944 3.089 319 HA THR 46 HA THR 46 115.028 6.916 0.375 320 HB THR 46 HB THR 46 113.860 9.398 1.627 321 HG1 THR 46 HG1 THR 46 112.634 6.857 1.484 322 HG21 THR 46 3HG2 THR 46 112.120 9.000 -0.091 323 HG22 THR 46 1HG2 THR 46 113.024 7.598 -0.662 324 HG23 THR 46 2HG2 THR 46 113.715 9.214 -0.813 325 H GLU 47 H GLU 47 115.517 8.201 -1.424 326 HA GLU 47 HA GLU 47 117.443 10.394 -0.968 327 HB2 GLU 47 1HB GLU 47 117.698 8.145 -2.981 328 HB3 GLU 47 2HB GLU 47 118.767 9.544 -2.873 329 HG2 GLU 47 1HG GLU 47 119.322 8.902 -0.535 330 HG3 GLU 47 2HG GLU 47 118.321 7.468 -0.712 331 H LYS 48 H LYS 48 117.506 11.971 -2.590 332 HA LYS 48 HA LYS 48 115.092 12.068 -4.293 333 HB2 LYS 48 1HB LYS 48 116.859 14.348 -3.369 334 HB3 LYS 48 2HB LYS 48 115.342 14.489 -4.252 335 HG2 LYS 48 1HG LYS 48 115.627 13.263 -1.493 336 HG3 LYS 48 2HG LYS 48 115.060 14.901 -1.813 337 HD2 LYS 48 1HD LYS 48 113.232 13.924 -3.233 338 HD3 LYS 48 2HD LYS 48 113.745 12.320 -2.699 339 HE2 LYS 48 1HE LYS 48 111.874 13.180 -1.322 340 HE3 LYS 48 2HE LYS 48 113.334 12.947 -0.361 341 HZ1 LYS 48 3HZ LYS 48 111.887 15.226 -0.467 342 HZ2 LYS 48 1HZ LYS 48 113.138 15.552 -1.565 343 HZ3 LYS 48 2HZ LYS 48 113.506 15.120 0.036 344 H SER 49 H SER 49 115.288 12.608 -6.474 345 HA SER 49 HA SER 49 118.049 12.801 -7.548 346 HB2 SER 49 1HB SER 49 117.299 11.578 -9.517 347 HB3 SER 49 2HB SER 49 116.976 10.623 -8.073 348 HG SER 49 HG SER 49 115.242 11.856 -9.847 349 H ARG 50 H ARG 50 118.440 14.411 -8.983 350 HA ARG 50 HA ARG 50 116.224 15.839 -10.232 351 HB2 ARG 50 1HB ARG 50 116.558 16.926 -8.003 352 HB3 ARG 50 2HB ARG 50 118.213 17.303 -8.485 353 HG2 ARG 50 1HG ARG 50 117.405 18.620 -10.374 354 HG3 ARG 50 2HG ARG 50 115.737 18.179 -10.002 355 HD2 ARG 50 1HD ARG 50 116.117 20.373 -9.085 356 HD3 ARG 50 2HD ARG 50 116.052 19.242 -7.737 357 HE ARG 50 HE ARG 50 118.730 19.621 -8.684 358 HH11 ARG 50 1HH1 ARG 50 116.263 21.101 -6.670 359 HH12 ARG 50 2HH1 ARG 50 117.420 21.965 -5.714 360 HH21 ARG 50 1HH2 ARG 50 120.171 20.759 -7.419 361 HH22 ARG 50 2HH2 ARG 50 119.605 21.774 -6.135 362 H THR 51 H THR 51 116.856 17.104 -12.016 363 HA THR 51 HA THR 51 119.282 16.255 -13.307 364 HB THR 51 HB THR 51 118.554 17.676 -15.154 365 HG1 THR 51 HG1 THR 51 117.730 19.446 -14.237 366 HG21 THR 51 3HG2 THR 51 116.220 16.225 -13.876 367 HG22 THR 51 1HG2 THR 51 117.469 15.471 -14.866 368 HG23 THR 51 2HG2 THR 51 116.366 16.645 -15.582 369 H ALA 52 H ALA 52 120.775 17.934 -14.298 370 HA ALA 52 HA ALA 52 122.089 19.341 -12.263 371 HB1 ALA 52 1HB ALA 52 123.377 20.399 -14.096 372 HB2 ALA 52 2HB ALA 52 122.224 19.748 -15.260 373 HB3 ALA 52 3HB ALA 52 123.228 18.654 -14.311 374 H SER 53 H SER 53 121.930 21.361 -11.468 375 HA SER 53 HA SER 53 120.475 23.442 -12.862 376 HB2 SER 53 1HB SER 53 118.659 22.114 -11.793 377 HB3 SER 53 2HB SER 53 119.411 22.399 -10.227 378 HG SER 53 HG SER 53 118.241 24.155 -10.278 379 H SER 54 H SER 54 120.324 25.438 -11.414 380 HA SER 54 HA SER 54 122.876 26.166 -10.503 381 HB2 SER 54 1HB SER 54 121.830 28.201 -9.707 382 HB3 SER 54 2HB SER 54 121.109 27.747 -11.248 383 HG SER 54 HG SER 54 119.963 28.022 -8.824 384 H GLY 55 H GLY 55 120.274 24.560 -8.808 385 HA2 GLY 55 1HA GLY 55 121.044 25.304 -6.164 386 HA3 GLY 55 2HA GLY 55 119.977 23.979 -6.599 387 H ASP 56 H ASP 56 122.592 23.202 -8.354 388 HA ASP 56 HA ASP 56 124.318 21.719 -8.109 389 HB2 ASP 56 1HB ASP 56 124.512 23.043 -5.394 390 HB3 ASP 56 2HB ASP 56 125.742 21.996 -6.099 391 H TYR 57 H TYR 57 121.986 20.514 -7.898 392 HA TYR 57 HA TYR 57 120.982 18.581 -7.219 393 HB2 TYR 57 1HB TYR 57 123.306 17.701 -7.348 394 HB3 TYR 57 2HB TYR 57 123.521 18.100 -5.657 395 HD1 TYR 57 HD1 TYR 57 121.728 15.919 -8.044 396 HD2 TYR 57 HD2 TYR 57 122.580 16.734 -3.913 397 HE1 TYR 57 HE1 TYR 57 120.777 13.716 -7.412 398 HE2 TYR 57 HE2 TYR 57 121.631 14.533 -3.282 399 HH TYR 57 HH TYR 57 119.945 12.905 -4.281 400 H ASN 58 H ASN 58 119.551 18.000 -5.668 401 HA ASN 58 HA ASN 58 119.496 19.684 -3.264 402 HB2 ASN 58 1HB ASN 58 117.488 19.571 -4.717 403 HB3 ASN 58 2HB ASN 58 117.379 17.841 -4.402 404 HD21 ASN 58 1HD2 ASN 58 117.392 21.003 -2.682 405 HD22 ASN 58 2HD2 ASN 58 116.421 20.469 -1.396 406 H LYS 59 H LYS 59 120.282 18.889 -1.425 407 HA LYS 59 HA LYS 59 120.483 15.965 -1.104 408 HB2 LYS 59 1HB LYS 59 121.891 18.230 0.324 409 HB3 LYS 59 2HB LYS 59 122.110 16.520 0.694 410 HG2 LYS 59 1HG LYS 59 122.817 16.137 -1.669 411 HG3 LYS 59 2HG LYS 59 122.700 17.873 -1.956 412 HD2 LYS 59 1HD LYS 59 124.352 18.243 -0.116 413 HD3 LYS 59 2HD LYS 59 124.531 16.494 0.032 414 HE2 LYS 59 1HE LYS 59 124.886 17.788 -2.654 415 HE3 LYS 59 2HE LYS 59 126.203 17.844 -1.484 416 HZ1 LYS 59 3HZ LYS 59 126.477 15.906 -2.804 417 HZ2 LYS 59 1HZ LYS 59 124.868 15.428 -2.568 418 HZ3 LYS 59 2HZ LYS 59 125.961 15.395 -1.269 419 H ASN 60 H ASN 60 118.749 15.153 -0.116 420 HA ASN 60 HA ASN 60 118.016 16.294 2.506 421 HB2 ASN 60 1HB ASN 60 116.117 15.284 0.376 422 HB3 ASN 60 2HB ASN 60 115.652 15.611 2.042 423 HD21 ASN 60 1HD2 ASN 60 114.488 17.045 -0.146 424 HD22 ASN 60 2HD2 ASN 60 114.990 18.663 -0.049 425 H GLN 61 H GLN 61 117.359 14.730 4.066 426 HA GLN 61 HA GLN 61 117.888 11.916 3.296 427 HB2 GLN 61 1HB GLN 61 119.032 11.564 5.403 428 HB3 GLN 61 2HB GLN 61 119.807 12.879 4.529 429 HG2 GLN 61 1HG GLN 61 118.369 14.476 5.897 430 HG3 GLN 61 2HG GLN 61 117.931 13.087 6.892 431 HE21 GLN 61 1HE2 GLN 61 119.106 13.518 8.807 432 HE22 GLN 61 2HE2 GLN 61 120.790 13.730 8.851 433 H TYR 62 H TYR 62 116.581 10.371 4.182 434 HA TYR 62 HA TYR 62 114.422 11.293 5.990 435 HB2 TYR 62 1HB TYR 62 113.701 11.048 3.583 436 HB3 TYR 62 2HB TYR 62 114.111 9.349 3.705 437 HD1 TYR 62 HD1 TYR 62 111.823 12.001 4.893 438 HD2 TYR 62 HD2 TYR 62 112.664 7.790 4.833 439 HE1 TYR 62 HE1 TYR 62 109.550 11.536 5.766 440 HE2 TYR 62 HE2 TYR 62 110.391 7.323 5.710 441 HH TYR 62 HH TYR 62 108.534 8.229 6.575 442 H TYR 63 H TYR 63 113.952 9.914 7.651 443 HA TYR 63 HA TYR 63 115.201 7.228 7.617 444 HB2 TYR 63 1HB TYR 63 115.080 9.110 9.976 445 HB3 TYR 63 2HB TYR 63 115.730 7.482 9.986 446 HD1 TYR 63 HD2 TYR 63 117.897 6.985 8.962 447 HD2 TYR 63 HD1 TYR 63 116.283 10.965 8.955 448 HE1 TYR 63 HE2 TYR 63 120.119 7.885 8.331 449 HE2 TYR 63 HE1 TYR 63 118.506 11.865 8.324 450 HH TYR 63 HH TYR 63 121.024 10.950 8.676 451 H GLY 64 H GLY 64 113.753 5.659 7.994 452 HA2 GLY 64 1HA GLY 64 111.342 6.319 9.592 453 HA3 GLY 64 2HA GLY 64 111.231 5.400 8.096 454 H ILE 65 H ILE 65 111.051 4.996 11.264 455 HA ILE 65 HA ILE 65 112.235 2.276 11.156 456 HB ILE 65 HB ILE 65 113.526 3.727 12.671 457 HG12 ILE 65 1HG1 ILE 65 113.215 2.351 14.761 458 HG13 ILE 65 2HG1 ILE 65 111.788 1.635 14.010 459 HG21 ILE 65 1HG2 ILE 65 111.501 5.215 13.175 460 HG22 ILE 65 2HG2 ILE 65 112.556 4.837 14.534 461 HG23 ILE 65 3HG2 ILE 65 111.025 3.984 14.345 462 HD11 ILE 65 3HD1 ILE 65 114.389 1.643 12.511 463 HD12 ILE 65 1HD1 ILE 65 113.034 0.523 12.383 464 HD13 ILE 65 2HD1 ILE 65 114.121 0.439 13.771 465 H THR 66 H THR 66 110.743 0.738 11.282 466 HA THR 66 HA THR 66 108.183 1.338 12.663 467 HB THR 66 HB THR 66 107.000 0.017 11.050 468 HG1 THR 66 HG1 THR 66 108.215 -0.883 9.277 469 HG21 THR 66 3HG2 THR 66 108.296 1.241 8.869 470 HG22 THR 66 1HG2 THR 66 108.521 2.348 10.222 471 HG23 THR 66 2HG2 THR 66 106.899 1.846 9.755 472 H ALA 67 H ALA 67 107.161 -0.396 13.712 473 HA ALA 67 HA ALA 67 108.550 -2.967 13.865 474 HB1 ALA 67 1HB ALA 67 108.851 -2.977 16.173 475 HB2 ALA 67 2HB ALA 67 107.633 -1.731 16.438 476 HB3 ALA 67 3HB ALA 67 109.217 -1.295 15.796 477 H GLY 68 H GLY 68 107.091 -4.705 14.407 478 HA2 GLY 68 1HA GLY 68 104.352 -4.128 15.101 479 HA3 GLY 68 2HA GLY 68 104.554 -4.466 13.393 480 HA PRO 69 HA PRO 69 104.409 -8.597 15.452 481 HB2 PRO 69 1HB PRO 69 101.781 -9.115 15.839 482 HB3 PRO 69 2HB PRO 69 102.753 -8.224 17.024 483 HG2 PRO 69 1HG PRO 69 100.646 -7.262 15.254 484 HG3 PRO 69 2HG PRO 69 101.316 -6.528 16.718 485 HD2 PRO 69 1HD PRO 69 101.947 -5.919 13.949 486 HD3 PRO 69 2HD PRO 69 102.493 -5.083 15.419 487 H ALA 70 H ALA 70 104.732 -10.082 13.949 488 HA ALA 70 HA ALA 70 103.210 -10.327 11.505 489 HB1 ALA 70 1HB ALA 70 104.643 -12.248 11.076 490 HB2 ALA 70 2HB ALA 70 105.231 -12.216 12.739 491 HB3 ALA 70 3HB ALA 70 105.630 -10.898 11.639 492 H TYR 71 H TYR 71 101.533 -11.727 11.115 493 HA TYR 71 HA TYR 71 100.827 -13.666 13.244 494 HB2 TYR 71 1HB TYR 71 99.144 -11.866 12.880 495 HB3 TYR 71 2HB TYR 71 99.012 -12.364 11.204 496 HD1 TYR 71 HD2 TYR 71 98.221 -13.206 14.693 497 HD2 TYR 71 HD1 TYR 71 97.879 -14.446 10.594 498 HE1 TYR 71 HE2 TYR 71 96.495 -14.867 15.339 499 HE2 TYR 71 HE1 TYR 71 96.155 -16.107 11.240 500 HH TYR 71 HH TYR 71 95.037 -16.376 14.615 501 H ARG 72 H ARG 72 100.822 -15.784 12.644 502 HA ARG 72 HA ARG 72 101.815 -16.291 9.931 503 HB2 ARG 72 1HB ARG 72 103.117 -17.087 11.896 504 HB3 ARG 72 2HB ARG 72 101.769 -18.141 12.321 505 HG2 ARG 72 1HG ARG 72 101.950 -19.215 10.075 506 HG3 ARG 72 2HG ARG 72 103.372 -18.225 9.748 507 HD2 ARG 72 1HD ARG 72 103.098 -20.181 12.049 508 HD3 ARG 72 2HD ARG 72 103.995 -20.479 10.564 509 HE ARG 72 HE ARG 72 104.785 -18.087 12.009 510 HH11 ARG 72 1HH1 ARG 72 105.389 -21.518 11.563 511 HH12 ARG 72 2HH1 ARG 72 107.003 -21.415 12.182 512 HH21 ARG 72 1HH2 ARG 72 106.871 -18.017 12.792 513 HH22 ARG 72 2HH2 ARG 72 107.830 -19.458 12.870 514 H ILE 73 H ILE 73 100.250 -16.626 8.527 515 HA ILE 73 HA ILE 73 98.084 -18.508 9.129 516 HB ILE 73 HB ILE 73 98.612 -16.852 6.644 517 HG12 ILE 73 1HG1 ILE 73 96.526 -16.473 8.811 518 HG13 ILE 73 2HG1 ILE 73 98.054 -15.600 8.784 519 HG21 ILE 73 1HG2 ILE 73 97.300 -18.785 6.057 520 HG22 ILE 73 2HG2 ILE 73 96.177 -17.434 6.209 521 HG23 ILE 73 3HG2 ILE 73 96.309 -18.623 7.506 522 HD11 ILE 73 3HD1 ILE 73 97.431 -14.283 7.015 523 HD12 ILE 73 1HD1 ILE 73 95.824 -14.628 7.644 524 HD13 ILE 73 2HD1 ILE 73 96.445 -15.541 6.272 525 H ASN 74 H ASN 74 98.080 -20.583 8.351 526 HA ASN 74 HA ASN 74 100.578 -21.711 7.697 527 HB2 ASN 74 1HB ASN 74 99.361 -23.802 7.386 528 HB3 ASN 74 2HB ASN 74 98.777 -22.959 8.819 529 HD21 ASN 74 1HD2 ASN 74 97.307 -24.923 7.076 530 HD22 ASN 74 2HD2 ASN 74 95.926 -24.098 6.542 531 H ASP 75 H ASP 75 97.929 -20.623 5.619 532 HA ASP 75 HA ASP 75 99.109 -21.617 3.193 533 HB2 ASP 75 1HB ASP 75 97.116 -19.383 3.670 534 HB3 ASP 75 2HB ASP 75 97.547 -20.030 2.089 535 H TRP 76 H TRP 76 99.566 -19.728 1.455 536 HA TRP 76 HA TRP 76 101.789 -18.199 2.560 537 HB2 TRP 76 1HB TRP 76 100.796 -18.303 -0.290 538 HB3 TRP 76 2HB TRP 76 102.343 -17.694 0.269 539 HD1 TRP 76 HD1 TRP 76 100.909 -20.598 -1.304 540 HE1 TRP 76 HE1 TRP 76 102.398 -22.681 -1.012 541 HE3 TRP 76 HE3 TRP 76 103.998 -18.961 2.419 542 HZ2 TRP 76 HZ2 TRP 76 104.610 -23.544 0.592 543 HZ3 TRP 76 HZ3 TRP 76 105.781 -20.428 3.309 544 HH2 TRP 76 HH2 TRP 76 106.092 -22.715 2.404 545 H ALA 77 H ALA 77 99.573 -17.286 3.708 546 HA ALA 77 HA ALA 77 98.861 -14.788 2.300 547 HB1 ALA 77 1HB ALA 77 96.863 -15.973 2.260 548 HB2 ALA 77 2HB ALA 77 96.705 -15.037 3.746 549 HB3 ALA 77 3HB ALA 77 97.166 -16.739 3.818 550 H SER 78 H SER 78 101.049 -15.206 4.345 551 HA SER 78 HA SER 78 99.950 -14.675 6.944 552 HB2 SER 78 1HB SER 78 102.209 -15.841 6.287 553 HB3 SER 78 2HB SER 78 102.829 -14.194 6.254 554 HG SER 78 HG SER 78 103.027 -15.142 8.325 555 H ILE 79 H ILE 79 100.324 -12.731 8.217 556 HA ILE 79 HA ILE 79 100.273 -10.335 6.460 557 HB ILE 79 HB ILE 79 98.430 -10.894 8.798 558 HG12 ILE 79 1HG1 ILE 79 97.794 -10.772 5.834 559 HG13 ILE 79 2HG1 ILE 79 97.980 -12.274 6.740 560 HG21 ILE 79 1HG2 ILE 79 98.371 -8.668 6.741 561 HG22 ILE 79 2HG2 ILE 79 99.041 -8.489 8.363 562 HG23 ILE 79 3HG2 ILE 79 97.326 -8.838 8.150 563 HD11 ILE 79 3HD1 ILE 79 95.638 -11.838 6.732 564 HD12 ILE 79 1HD1 ILE 79 95.880 -10.132 7.109 565 HD13 ILE 79 2HD1 ILE 79 96.196 -11.358 8.335 566 H TYR 80 H TYR 80 101.615 -8.801 7.066 567 HA TYR 80 HA TYR 80 102.429 -8.636 9.919 568 HB2 TYR 80 1HB TYR 80 103.859 -7.445 7.541 569 HB3 TYR 80 2HB TYR 80 104.444 -7.554 9.189 570 HD1 TYR 80 HD1 TYR 80 104.874 -9.906 10.142 571 HD2 TYR 80 HD2 TYR 80 104.340 -9.101 5.962 572 HE1 TYR 80 HE1 TYR 80 105.994 -12.051 9.589 573 HE2 TYR 80 HE2 TYR 80 105.461 -11.243 5.405 574 HH TYR 80 HH TYR 80 107.122 -13.124 7.792 575 H GLY 81 H GLY 81 101.778 -6.805 10.988 576 HA2 GLY 81 1HA GLY 81 101.113 -4.420 9.319 577 HA3 GLY 81 2HA GLY 81 100.220 -4.843 10.782 578 H VAL 82 H VAL 82 102.070 -2.476 9.971 579 HA VAL 82 HA VAL 82 103.732 -2.564 12.407 580 HB VAL 82 HB VAL 82 105.666 -1.702 11.140 581 HG11 VAL 82 1HG1 VAL 82 105.530 -4.099 11.572 582 HG12 VAL 82 2HG1 VAL 82 106.189 -3.840 9.958 583 HG13 VAL 82 3HG1 VAL 82 104.505 -4.325 10.153 584 HG21 VAL 82 3HG2 VAL 82 104.482 -0.680 9.259 585 HG22 VAL 82 1HG2 VAL 82 103.883 -2.258 8.748 586 HG23 VAL 82 2HG2 VAL 82 105.606 -1.897 8.651 587 H VAL 83 H VAL 83 104.346 -0.586 13.243 588 HA VAL 83 HA VAL 83 103.183 1.833 11.987 589 HB VAL 83 HB VAL 83 103.431 1.245 14.956 590 HG11 VAL 83 1HG1 VAL 83 103.645 3.580 14.701 591 HG12 VAL 83 2HG1 VAL 83 101.920 3.354 14.991 592 HG13 VAL 83 3HG1 VAL 83 102.511 3.626 13.352 593 HG21 VAL 83 3HG2 VAL 83 100.822 1.517 14.663 594 HG22 VAL 83 1HG2 VAL 83 101.586 -0.034 14.315 595 HG23 VAL 83 2HG2 VAL 83 101.163 1.057 12.995 596 H GLY 84 H GLY 84 104.602 3.635 11.946 597 HA2 GLY 84 1HA GLY 84 107.198 3.325 13.275 598 HA3 GLY 84 2HA GLY 84 107.199 3.407 11.520 599 H VAL 85 H VAL 85 108.616 5.249 12.730 600 HA VAL 85 HA VAL 85 107.000 7.711 12.363 601 HB VAL 85 HB VAL 85 107.798 7.503 14.688 602 HG11 VAL 85 1HG1 VAL 85 110.591 7.534 13.517 603 HG12 VAL 85 2HG1 VAL 85 109.794 6.079 14.112 604 HG13 VAL 85 3HG1 VAL 85 110.152 7.403 15.220 605 HG21 VAL 85 3HG2 VAL 85 109.394 9.570 13.146 606 HG22 VAL 85 1HG2 VAL 85 108.897 9.668 14.836 607 HG23 VAL 85 2HG2 VAL 85 107.687 9.735 13.556 608 H GLY 86 H GLY 86 107.576 8.871 10.641 609 HA2 GLY 86 1HA GLY 86 110.283 8.414 9.476 610 HA3 GLY 86 2HA GLY 86 108.838 8.677 8.504 611 H TYR 87 H TYR 87 111.550 10.188 9.217 612 HA TYR 87 HA TYR 87 110.259 12.836 9.141 613 HB2 TYR 87 1HB TYR 87 111.705 13.751 10.803 614 HB3 TYR 87 2HB TYR 87 110.905 12.351 11.484 615 HD1 TYR 87 HD1 TYR 87 114.099 13.768 10.340 616 HD2 TYR 87 HD2 TYR 87 112.160 10.324 12.024 617 HE1 TYR 87 HE1 TYR 87 116.306 12.836 10.978 618 HE2 TYR 87 HE2 TYR 87 114.370 9.392 12.662 619 HH TYR 87 HH TYR 87 116.847 10.710 13.149 620 H GLY 88 H GLY 88 111.586 14.508 8.287 621 HA2 GLY 88 1HA GLY 88 113.861 13.537 6.648 622 HA3 GLY 88 2HA GLY 88 112.630 14.612 5.994 623 H LYS 89 H LYS 89 115.545 15.011 6.280 624 HA LYS 89 HA LYS 89 115.408 17.585 7.725 625 HB2 LYS 89 1HB LYS 89 117.668 15.571 7.867 626 HB3 LYS 89 2HB LYS 89 117.741 17.218 8.500 627 HG2 LYS 89 1HG LYS 89 115.912 16.763 10.037 628 HG3 LYS 89 2HG LYS 89 115.683 15.158 9.343 629 HD2 LYS 89 1HD LYS 89 116.954 14.886 11.371 630 HD3 LYS 89 2HD LYS 89 118.055 14.622 10.020 631 HE2 LYS 89 1HE LYS 89 119.056 16.078 11.766 632 HE3 LYS 89 2HE LYS 89 118.901 16.910 10.221 633 HZ1 LYS 89 3HZ LYS 89 117.462 18.359 11.074 634 HZ2 LYS 89 1HZ LYS 89 117.966 17.811 12.601 635 HZ3 LYS 89 2HZ LYS 89 116.573 17.155 11.881 636 H PHE 90 H PHE 90 116.603 19.256 6.795 637 HA PHE 90 HA PHE 90 117.429 18.744 4.016 638 HB2 PHE 90 1HB PHE 90 115.762 20.530 4.511 639 HB3 PHE 90 2HB PHE 90 116.986 21.367 5.447 640 HD1 PHE 90 HD1 PHE 90 118.862 22.492 4.346 641 HD2 PHE 90 HD2 PHE 90 115.848 20.434 2.081 642 HE1 PHE 90 HE1 PHE 90 119.648 23.615 2.277 643 HE2 PHE 90 HE2 PHE 90 116.634 21.556 0.014 644 HZ PHE 90 HZ PHE 90 118.534 23.147 0.113 645 H GLN 91 H GLN 91 119.512 18.714 3.459 646 HA GLN 91 HA GLN 91 121.511 19.645 5.427 647 HB2 GLN 91 1HB GLN 91 121.606 17.257 4.715 648 HB3 GLN 91 2HB GLN 91 121.893 17.797 3.061 649 HG2 GLN 91 1HG GLN 91 123.929 18.965 3.774 650 HG3 GLN 91 2HG GLN 91 123.635 18.489 5.442 651 HE21 GLN 91 1HE2 GLN 91 126.052 17.702 4.419 652 HE22 GLN 91 2HE2 GLN 91 126.053 16.041 4.071 653 H THR 92 H THR 92 122.404 21.552 5.027 654 HA THR 92 HA THR 92 122.586 22.503 2.231 655 HB THR 92 HB THR 92 122.829 24.154 4.750 656 HG1 THR 92 HG1 THR 92 120.665 24.674 4.379 657 HG21 THR 92 3HG2 THR 92 122.135 24.941 1.911 658 HG22 THR 92 1HG2 THR 92 123.768 25.018 2.572 659 HG23 THR 92 2HG2 THR 92 122.490 26.019 3.261 660 H THR 93 H THR 93 124.538 23.101 1.381 661 HA THR 93 HA THR 93 126.931 22.687 3.089 662 HB THR 93 HB THR 93 126.687 22.123 0.124 663 HG1 THR 93 HG1 THR 93 126.449 20.042 0.684 664 HG21 THR 93 3HG2 THR 93 128.868 21.012 0.471 665 HG22 THR 93 1HG2 THR 93 128.852 21.520 2.159 666 HG23 THR 93 2HG2 THR 93 128.949 22.726 0.877 667 H GLU 94 H GLU 94 128.438 24.251 3.086 668 HA GLU 94 HA GLU 94 129.444 26.273 2.708 669 HB2 GLU 94 1HB GLU 94 129.716 25.219 0.422 670 HB3 GLU 94 2HB GLU 94 128.276 26.107 -0.077 671 HG2 GLU 94 1HG GLU 94 129.394 28.233 0.608 672 HG3 GLU 94 2HG GLU 94 130.841 27.315 0.995 673 H TYR 95 H TYR 95 127.260 26.549 4.138 674 HA TYR 95 HA TYR 95 126.229 29.129 3.230 675 HB2 TYR 95 1HB TYR 95 124.581 26.688 3.675 676 HB3 TYR 95 2HB TYR 95 123.923 28.219 4.218 677 HD1 TYR 95 HD2 TYR 95 123.325 29.973 2.617 678 HD2 TYR 95 HD1 TYR 95 124.899 26.196 1.316 679 HE1 TYR 95 HE2 TYR 95 122.584 30.463 0.301 680 HE2 TYR 95 HE1 TYR 95 124.164 26.687 -1.002 681 HH TYR 95 HH TYR 95 123.593 28.562 -2.391 682 HA PRO 96 HA PRO 96 126.716 30.338 7.452 683 HB2 PRO 96 1HB PRO 96 123.883 31.240 7.592 684 HB3 PRO 96 2HB PRO 96 125.376 32.148 7.905 685 HG2 PRO 96 1HG PRO 96 123.949 32.538 5.696 686 HG3 PRO 96 2HG PRO 96 125.721 32.613 5.688 687 HD2 PRO 96 1HD PRO 96 123.931 30.444 4.672 688 HD3 PRO 96 2HD PRO 96 125.496 31.002 4.044 689 H THR 97 H THR 97 126.736 29.094 9.228 690 HA THR 97 HA THR 97 125.076 26.811 9.515 691 HB THR 97 HB THR 97 126.176 26.533 11.687 692 HG1 THR 97 HG1 THR 97 126.498 28.401 12.615 693 HG21 THR 97 3HG2 THR 97 128.494 26.473 10.878 694 HG22 THR 97 1HG2 THR 97 128.067 27.542 9.542 695 HG23 THR 97 2HG2 THR 97 127.389 25.916 9.623 696 H TYR 98 H TYR 98 124.776 30.098 10.698 697 HA TYR 98 HA TYR 98 123.071 29.675 12.884 698 HB2 TYR 98 1HB TYR 98 123.168 32.004 10.969 699 HB3 TYR 98 2HB TYR 98 122.362 32.007 12.525 700 HD1 TYR 98 HD1 TYR 98 123.737 31.762 14.629 701 HD2 TYR 98 HD2 TYR 98 125.505 32.369 10.760 702 HE1 TYR 98 HE1 TYR 98 125.860 32.458 15.706 703 HE2 TYR 98 HE2 TYR 98 127.626 33.063 11.838 704 HH TYR 98 HH TYR 98 128.785 32.779 13.968 705 H LYS 99 H LYS 99 122.383 29.728 9.429 706 HA LYS 99 HA LYS 99 119.634 30.203 9.473 707 HB2 LYS 99 1HB LYS 99 121.039 30.078 7.422 708 HB3 LYS 99 2HB LYS 99 121.113 28.326 7.616 709 HG2 LYS 99 1HG LYS 99 118.686 28.160 7.416 710 HG3 LYS 99 2HG LYS 99 118.549 29.917 7.328 711 HD2 LYS 99 1HD LYS 99 118.441 29.058 5.072 712 HD3 LYS 99 2HD LYS 99 120.004 29.851 5.273 713 HE2 LYS 99 1HE LYS 99 121.171 27.830 5.354 714 HE3 LYS 99 2HE LYS 99 119.747 26.913 5.844 715 HZ1 LYS 99 3HZ LYS 99 118.804 27.363 3.625 716 HZ2 LYS 99 1HZ LYS 99 120.227 26.441 3.565 717 HZ3 LYS 99 2HZ LYS 99 120.269 28.094 3.172 718 H HIS 100 H HIS 100 121.426 27.188 9.963 719 HA HIS 100 HA HIS 100 120.808 25.177 10.875 720 HB2 HIS 100 1HB HIS 100 119.822 26.765 12.603 721 HB3 HIS 100 2HB HIS 100 118.284 26.538 11.794 722 HD1 HIS 100 HD1 HIS 100 117.011 24.388 12.277 723 HD2 HIS 100 HD2 HIS 100 120.846 24.388 13.912 724 HE1 HIS 100 HE1 HIS 100 117.144 22.361 13.788 725 H ASP 101 H ASP 101 119.695 23.344 10.280 726 HA ASP 101 HA ASP 101 118.214 23.514 7.815 727 HB2 ASP 101 1HB ASP 101 118.152 21.056 7.965 728 HB3 ASP 101 2HB ASP 101 119.784 21.676 8.208 729 H THR 102 H THR 102 116.228 21.898 7.719 730 HA THR 102 HA THR 102 114.389 22.568 9.948 731 HB THR 102 HB THR 102 113.677 22.428 7.007 732 HG1 THR 102 HG1 THR 102 113.702 24.728 8.630 733 HG21 THR 102 3HG2 THR 102 111.834 21.833 8.502 734 HG22 THR 102 1HG2 THR 102 111.549 23.431 7.813 735 HG23 THR 102 2HG2 THR 102 112.128 23.276 9.471 736 H SER 103 H SER 103 113.015 20.944 10.618 737 HA SER 103 HA SER 103 113.101 18.385 9.167 738 HB2 SER 103 1HB SER 103 113.659 17.143 11.165 739 HB3 SER 103 2HB SER 103 114.888 18.378 10.910 740 HG SER 103 HG SER 103 112.655 18.487 12.667 741 H ASP 104 H ASP 104 111.433 16.930 9.694 742 HA ASP 104 HA ASP 104 109.388 17.598 11.612 743 HB2 ASP 104 1HB ASP 104 107.556 17.775 9.967 744 HB3 ASP 104 2HB ASP 104 108.718 19.086 9.780 745 H TYR 105 H TYR 105 107.726 15.879 11.703 746 HA TYR 105 HA TYR 105 108.560 13.375 10.385 747 HB2 TYR 105 1HB TYR 105 108.510 12.160 12.443 748 HB3 TYR 105 2HB TYR 105 109.595 13.521 12.635 749 HD1 TYR 105 HD1 TYR 105 108.910 15.476 14.020 750 HD2 TYR 105 HD2 TYR 105 106.502 11.931 13.733 751 HE1 TYR 105 HE1 TYR 105 107.647 16.173 16.036 752 HE2 TYR 105 HE2 TYR 105 105.239 12.628 15.751 753 HH TYR 105 HH TYR 105 105.108 14.096 17.421 754 H GLY 106 H GLY 106 106.944 11.676 10.466 755 HA2 GLY 106 1HA GLY 106 104.202 12.566 11.030 756 HA3 GLY 106 2HA GLY 106 104.587 11.999 9.408 757 H PHE 107 H PHE 107 102.655 10.715 10.813 758 HA PHE 107 HA PHE 107 103.810 8.341 12.090 759 HB2 PHE 107 1HB PHE 107 101.883 9.473 13.108 760 HB3 PHE 107 2HB PHE 107 100.961 9.246 11.640 761 HD1 PHE 107 HD1 PHE 107 100.100 7.024 11.028 762 HD2 PHE 107 HD2 PHE 107 102.253 7.680 14.688 763 HE1 PHE 107 HE1 PHE 107 99.253 4.868 11.914 764 HE2 PHE 107 HE2 PHE 107 101.409 5.522 15.570 765 HZ PHE 107 HZ PHE 107 99.906 4.116 14.184 766 H SER 108 H SER 108 104.190 6.497 10.926 767 HA SER 108 HA SER 108 102.797 6.228 8.311 768 HB2 SER 108 1HB SER 108 105.445 5.067 9.209 769 HB3 SER 108 2HB SER 108 104.705 4.851 7.626 770 HG SER 108 HG SER 108 106.322 6.622 7.945 771 H TYR 109 H TYR 109 101.690 4.411 7.842 772 HA TYR 109 HA TYR 109 101.880 2.108 9.690 773 HB2 TYR 109 1HB TYR 109 99.846 3.442 10.200 774 HB3 TYR 109 2HB TYR 109 99.329 3.251 8.535 775 HD1 TYR 109 HD1 TYR 109 98.505 1.094 7.713 776 HD2 TYR 109 HD2 TYR 109 99.739 1.611 11.792 777 HE1 TYR 109 HE1 TYR 109 97.383 -1.034 8.323 778 HE2 TYR 109 HE2 TYR 109 98.622 -0.515 12.403 779 HH TYR 109 HH TYR 109 97.615 -2.353 11.613 780 H GLY 110 H GLY 110 101.829 0.092 8.641 781 HA2 GLY 110 1HA GLY 110 101.190 0.058 5.777 782 HA3 GLY 110 2HA GLY 110 102.843 -0.335 6.228 783 H ALA 111 H ALA 111 101.149 -2.088 4.854 784 HA ALA 111 HA ALA 111 101.281 -4.332 6.725 785 HB1 ALA 111 1HB ALA 111 99.058 -5.164 6.099 786 HB2 ALA 111 2HB ALA 111 98.798 -3.737 5.095 787 HB3 ALA 111 3HB ALA 111 98.936 -3.571 6.846 788 H GLY 112 H GLY 112 101.585 -6.358 5.689 789 HA2 GLY 112 1HA GLY 112 101.799 -6.348 2.764 790 HA3 GLY 112 2HA GLY 112 103.276 -6.636 3.671 791 H LEU 113 H LEU 113 102.319 -8.461 1.860 792 HA LEU 113 HA LEU 113 101.214 -10.654 3.512 793 HB2 LEU 113 1HB LEU 113 100.916 -9.960 0.602 794 HB3 LEU 113 2HB LEU 113 100.782 -11.636 1.109 795 HG LEU 113 HG LEU 113 98.583 -10.492 0.972 796 HD11 LEU 113 1HD1 LEU 113 97.707 -11.448 2.926 797 HD12 LEU 113 2HD1 LEU 113 99.147 -11.070 3.870 798 HD13 LEU 113 3HD1 LEU 113 99.198 -12.353 2.660 799 HD21 LEU 113 3HD2 LEU 113 99.671 -8.266 1.855 800 HD22 LEU 113 1HD2 LEU 113 99.276 -8.930 3.441 801 HD23 LEU 113 2HD2 LEU 113 97.997 -8.642 2.260 802 H GLN 114 H GLN 114 102.154 -12.783 3.206 803 HA GLN 114 HA GLN 114 104.972 -12.623 2.281 804 HB2 GLN 114 1HB GLN 114 104.626 -12.873 4.754 805 HB3 GLN 114 2HB GLN 114 103.842 -14.419 4.433 806 HG2 GLN 114 1HG GLN 114 106.104 -14.965 4.910 807 HG3 GLN 114 2HG GLN 114 105.970 -15.061 3.157 808 HE21 GLN 114 1HE2 GLN 114 107.649 -14.018 2.093 809 HE22 GLN 114 2HE2 GLN 114 108.504 -12.683 2.696 810 H PHE 115 H PHE 115 105.602 -13.997 0.733 811 HA PHE 115 HA PHE 115 104.295 -16.642 0.584 812 HB2 PHE 115 1HB PHE 115 103.470 -15.209 -1.292 813 HB3 PHE 115 2HB PHE 115 105.130 -14.954 -1.791 814 HD1 PHE 115 HD2 PHE 115 106.412 -16.742 -2.863 815 HD2 PHE 115 HD1 PHE 115 102.337 -17.338 -1.642 816 HE1 PHE 115 HE2 PHE 115 106.301 -18.802 -4.238 817 HE2 PHE 115 HE1 PHE 115 102.227 -19.400 -3.017 818 HZ PHE 115 HZ PHE 115 104.210 -20.131 -4.315 819 H ASN 116 H ASN 116 105.951 -18.052 1.140 820 HA ASN 116 HA ASN 116 108.701 -17.236 0.429 821 HB2 ASN 116 1HB ASN 116 109.406 -17.575 2.760 822 HB3 ASN 116 2HB ASN 116 108.251 -16.255 2.589 823 HD21 ASN 116 1HD2 ASN 116 108.910 -19.034 4.398 824 HD22 ASN 116 2HD2 ASN 116 107.357 -19.292 5.033 825 HA PRO 117 HA PRO 117 109.518 -21.627 0.990 826 HB2 PRO 117 1HB PRO 117 111.225 -21.944 -1.123 827 HB3 PRO 117 2HB PRO 117 109.468 -22.132 -1.276 828 HG2 PRO 117 1HG PRO 117 111.181 -20.065 -2.347 829 HG3 PRO 117 2HG PRO 117 109.482 -20.409 -2.700 830 HD2 PRO 117 1HD PRO 117 110.605 -18.380 -0.907 831 HD3 PRO 117 2HD PRO 117 108.944 -18.537 -1.522 832 H MET 118 H MET 118 111.895 -22.572 1.191 833 HA MET 118 HA MET 118 113.366 -20.940 2.939 834 HB2 MET 118 1HB MET 118 114.245 -23.363 1.354 835 HB3 MET 118 2HB MET 118 115.168 -22.639 2.673 836 HG2 MET 118 1HG MET 118 113.166 -22.974 4.159 837 HG3 MET 118 2HG MET 118 112.403 -23.866 2.844 838 HE1 MET 118 3HE MET 118 116.272 -23.857 4.147 839 HE2 MET 118 1HE MET 118 115.942 -24.986 5.467 840 HE3 MET 118 2HE MET 118 115.054 -23.468 5.359 841 H GLU 119 H GLU 119 115.835 -20.577 2.493 842 HA GLU 119 HA GLU 119 117.440 -19.360 1.431 843 HB2 GLU 119 1HB GLU 119 116.061 -20.431 -1.036 844 HB3 GLU 119 2HB GLU 119 117.612 -19.600 -1.046 845 HG2 GLU 119 1HG GLU 119 118.309 -21.805 -0.934 846 HG3 GLU 119 2HG GLU 119 118.261 -21.381 0.772 847 H ASN 120 H ASN 120 117.599 -17.722 -0.642 848 HA ASN 120 HA ASN 120 116.379 -15.363 0.222 849 HB2 ASN 120 1HB ASN 120 117.714 -16.021 -2.402 850 HB3 ASN 120 2HB ASN 120 117.307 -14.393 -1.861 851 HD21 ASN 120 1HD2 ASN 120 120.030 -15.315 -2.355 852 HD22 ASN 120 2HD2 ASN 120 120.853 -15.260 -0.872 853 H VAL 121 H VAL 121 114.900 -17.803 -1.568 854 HA VAL 121 HA VAL 121 113.651 -16.172 -3.574 855 HB VAL 121 HB VAL 121 112.911 -19.026 -2.913 856 HG11 VAL 121 1HG1 VAL 121 112.693 -18.900 -5.551 857 HG12 VAL 121 2HG1 VAL 121 112.582 -17.167 -5.246 858 HG13 VAL 121 3HG1 VAL 121 111.411 -18.267 -4.524 859 HG21 VAL 121 3HG2 VAL 121 114.629 -19.759 -4.492 860 HG22 VAL 121 1HG2 VAL 121 115.393 -18.836 -3.198 861 HG23 VAL 121 2HG2 VAL 121 115.125 -18.090 -4.776 862 H ALA 122 H ALA 122 112.950 -15.811 -0.516 863 HA ALA 122 HA ALA 122 110.030 -16.157 -0.781 864 HB1 ALA 122 1HB ALA 122 110.132 -15.549 1.715 865 HB2 ALA 122 2HB ALA 122 111.875 -15.770 1.574 866 HB3 ALA 122 3HB ALA 122 110.787 -17.118 1.248 867 H LEU 123 H LEU 123 108.634 -14.381 -0.607 868 HA LEU 123 HA LEU 123 109.967 -11.765 -0.982 869 HB2 LEU 123 1HB LEU 123 107.910 -13.189 -2.635 870 HB3 LEU 123 2HB LEU 123 107.864 -11.435 -2.562 871 HG LEU 123 HG LEU 123 109.155 -12.297 -4.500 872 HD11 LEU 123 1HD1 LEU 123 111.034 -10.928 -2.584 873 HD12 LEU 123 2HD1 LEU 123 109.631 -10.101 -3.261 874 HD13 LEU 123 3HD1 LEU 123 110.895 -10.713 -4.329 875 HD21 LEU 123 3HD2 LEU 123 111.068 -13.600 -4.313 876 HD22 LEU 123 1HD2 LEU 123 110.088 -14.262 -3.005 877 HD23 LEU 123 2HD2 LEU 123 111.369 -13.106 -2.647 878 H ASP 124 H ASP 124 108.981 -9.996 -0.139 879 HA ASP 124 HA ASP 124 106.326 -10.333 1.125 880 HB2 ASP 124 1HB ASP 124 108.144 -10.306 2.841 881 HB3 ASP 124 2HB ASP 124 108.622 -8.712 2.257 882 H PHE 125 H PHE 125 104.878 -8.795 0.569 883 HA PHE 125 HA PHE 125 105.893 -6.364 -0.810 884 HB2 PHE 125 1HB PHE 125 104.884 -8.019 -2.377 885 HB3 PHE 125 2HB PHE 125 103.387 -7.920 -1.470 886 HD1 PHE 125 HD1 PHE 125 105.723 -6.060 -3.663 887 HD2 PHE 125 HD2 PHE 125 101.876 -6.074 -1.754 888 HE1 PHE 125 HE1 PHE 125 105.026 -4.128 -5.054 889 HE2 PHE 125 HE2 PHE 125 101.179 -4.143 -3.144 890 HZ PHE 125 HZ PHE 125 102.754 -3.169 -4.794 891 H SER 126 H SER 126 105.097 -4.449 -0.022 892 HA SER 126 HA SER 126 102.737 -4.561 1.740 893 HB2 SER 126 1HB SER 126 105.291 -3.225 2.637 894 HB3 SER 126 2HB SER 126 103.825 -3.498 3.569 895 HG SER 126 HG SER 126 105.681 -5.406 2.585 896 H TYR 127 H TYR 127 101.719 -2.570 2.110 897 HA TYR 127 HA TYR 127 102.599 -0.325 0.394 898 HB2 TYR 127 1HB TYR 127 100.504 -1.494 -0.370 899 HB3 TYR 127 2HB TYR 127 99.763 -1.046 1.155 900 HD1 TYR 127 HD1 TYR 127 101.845 0.743 -1.412 901 HD2 TYR 127 HD2 TYR 127 98.238 0.680 0.916 902 HE1 TYR 127 HE1 TYR 127 101.162 2.908 -2.411 903 HE2 TYR 127 HE2 TYR 127 97.555 2.845 -0.081 904 HH TYR 127 HH TYR 127 99.436 4.345 -2.676 905 H GLU 128 H GLU 128 102.604 1.698 1.377 906 HA GLU 128 HA GLU 128 101.927 1.744 4.266 907 HB2 GLU 128 1HB GLU 128 104.316 3.009 2.903 908 HB3 GLU 128 2HB GLU 128 103.891 3.193 4.605 909 HG2 GLU 128 1HG GLU 128 104.054 0.726 4.883 910 HG3 GLU 128 2HG GLU 128 104.566 0.590 3.206 911 H GLN 129 H GLN 129 101.226 3.718 5.111 912 HA GLN 129 HA GLN 129 100.571 5.824 3.151 913 HB2 GLN 129 1HB GLN 129 98.737 4.512 5.155 914 HB3 GLN 129 2HB GLN 129 98.400 6.103 4.472 915 HG2 GLN 129 1HG GLN 129 98.895 3.609 2.822 916 HG3 GLN 129 2HG GLN 129 97.295 4.244 3.210 917 HE21 GLN 129 1HE2 GLN 129 99.587 4.280 0.788 918 HE22 GLN 129 2HE2 GLN 129 99.198 5.766 0.065 919 H SER 130 H SER 130 100.991 7.790 3.752 920 HA SER 130 HA SER 130 101.506 8.399 6.594 921 HB2 SER 130 1HB SER 130 103.412 8.765 4.918 922 HB3 SER 130 2HB SER 130 102.423 10.055 4.243 923 HG SER 130 HG SER 130 103.992 10.583 5.998 924 H ARG 131 H ARG 131 100.605 10.396 7.382 925 HA ARG 131 HA ARG 131 97.844 10.394 6.434 926 HB2 ARG 131 1HB ARG 131 99.095 11.409 9.003 927 HB3 ARG 131 2HB ARG 131 97.365 11.399 8.655 928 HG2 ARG 131 1HG ARG 131 97.448 8.939 8.365 929 HG3 ARG 131 2HG ARG 131 99.165 8.962 8.768 930 HD2 ARG 131 1HD ARG 131 97.968 8.397 10.780 931 HD3 ARG 131 2HD ARG 131 98.551 10.050 10.958 932 HE ARG 131 HE ARG 131 96.355 10.771 10.986 933 HH11 ARG 131 1HH1 ARG 131 96.409 7.498 9.713 934 HH12 ARG 131 2HH1 ARG 131 94.683 7.365 9.705 935 HH21 ARG 131 1HH2 ARG 131 94.138 10.540 10.952 936 HH22 ARG 131 2HH2 ARG 131 93.414 9.067 10.399 937 H ILE 132 H ILE 132 96.614 12.535 6.401 938 HA ILE 132 HA ILE 132 98.279 13.567 4.265 939 HB ILE 132 HB ILE 132 96.086 14.394 3.335 940 HG12 ILE 132 1HG1 ILE 132 94.898 12.611 5.482 941 HG13 ILE 132 2HG1 ILE 132 94.853 14.370 5.561 942 HG21 ILE 132 1HG2 ILE 132 95.984 11.445 3.895 943 HG22 ILE 132 2HG2 ILE 132 97.326 12.120 2.976 944 HG23 ILE 132 3HG2 ILE 132 95.677 12.304 2.387 945 HD11 ILE 132 3HD1 ILE 132 92.789 13.777 4.566 946 HD12 ILE 132 1HD1 ILE 132 93.543 12.560 3.537 947 HD13 ILE 132 2HD1 ILE 132 93.801 14.274 3.212 948 H ARG 133 H ARG 133 99.491 15.089 5.220 949 HA ARG 133 HA ARG 133 98.319 17.725 5.660 950 HB2 ARG 133 1HB ARG 133 100.659 16.607 6.490 951 HB3 ARG 133 2HB ARG 133 101.209 17.381 5.007 952 HG2 ARG 133 1HG ARG 133 100.367 19.546 5.788 953 HG3 ARG 133 2HG ARG 133 99.697 18.787 7.229 954 HD2 ARG 133 1HD ARG 133 101.803 19.774 7.848 955 HD3 ARG 133 2HD ARG 133 102.025 18.027 7.812 956 HE ARG 133 HE ARG 133 102.744 18.780 5.305 957 HH11 ARG 133 1HH1 ARG 133 103.749 19.922 8.470 958 HH12 ARG 133 2HH1 ARG 133 105.329 20.369 7.915 959 HH21 ARG 133 1HH2 ARG 133 104.789 19.374 4.651 960 HH22 ARG 133 2HH2 ARG 133 105.909 20.062 5.780 961 H SER 134 H SER 134 99.704 19.390 3.989 962 HA SER 134 HA SER 134 98.310 19.219 1.605 963 HB2 SER 134 1HB SER 134 99.758 20.968 0.777 964 HB3 SER 134 2HB SER 134 99.445 21.248 2.486 965 HG SER 134 HG SER 134 101.470 20.690 2.955 966 H VAL 135 H VAL 135 101.163 17.395 2.431 967 HA VAL 135 HA VAL 135 101.093 16.299 -0.323 968 HB VAL 135 HB VAL 135 103.279 17.299 0.228 969 HG11 VAL 135 1HG1 VAL 135 103.453 15.212 2.415 970 HG12 VAL 135 2HG1 VAL 135 103.073 16.907 2.713 971 HG13 VAL 135 3HG1 VAL 135 104.638 16.461 2.033 972 HG21 VAL 135 3HG2 VAL 135 104.648 15.350 -0.323 973 HG22 VAL 135 1HG2 VAL 135 103.131 15.277 -1.221 974 HG23 VAL 135 2HG2 VAL 135 103.360 14.267 0.207 975 H ASP 136 H ASP 136 100.565 14.193 -0.532 976 HA ASP 136 HA ASP 136 100.144 12.613 1.940 977 HB2 ASP 136 1HB ASP 136 98.054 13.194 0.765 978 HB3 ASP 136 2HB ASP 136 98.677 12.451 -0.705 979 H VAL 137 H VAL 137 100.905 10.454 1.990 980 HA VAL 137 HA VAL 137 102.855 9.900 -0.193 981 HB VAL 137 HB VAL 137 102.956 8.831 2.625 982 HG11 VAL 137 1HG1 VAL 137 105.257 8.256 2.018 983 HG12 VAL 137 2HG1 VAL 137 105.026 8.961 0.418 984 HG13 VAL 137 3HG1 VAL 137 104.126 7.517 0.883 985 HG21 VAL 137 3HG2 VAL 137 103.211 11.333 2.543 986 HG22 VAL 137 1HG2 VAL 137 104.555 11.113 1.423 987 HG23 VAL 137 2HG2 VAL 137 104.674 10.503 3.072 988 H GLY 138 H GLY 138 102.542 8.197 -1.443 989 HA2 GLY 138 1HA GLY 138 101.209 5.815 -0.284 990 HA3 GLY 138 2HA GLY 138 100.987 6.294 -1.970 991 H THR 139 H THR 139 102.703 4.183 -0.058 992 HA THR 139 HA THR 139 105.022 4.183 -1.909 993 HB THR 139 HB THR 139 105.120 3.539 1.041 994 HG1 THR 139 HG1 THR 139 105.162 5.621 1.219 995 HG21 THR 139 3HG2 THR 139 107.266 3.915 -1.065 996 HG22 THR 139 1HG2 THR 139 106.802 2.383 -0.324 997 HG23 THR 139 2HG2 THR 139 107.563 3.641 0.652 998 H TRP 140 H TRP 140 105.524 2.290 -2.813 999 HA TRP 140 HA TRP 140 104.268 -0.173 -1.728 1000 HB2 TRP 140 1HB TRP 140 105.064 0.503 -4.569 1001 HB3 TRP 140 2HB TRP 140 104.503 -1.070 -4.039 1002 HD1 TRP 140 HD1 TRP 140 103.332 2.331 -5.091 1003 HE1 TRP 140 HE1 TRP 140 100.755 2.382 -5.151 1004 HE3 TRP 140 HE3 TRP 140 102.309 -2.115 -2.794 1005 HZ2 TRP 140 HZ2 TRP 140 98.550 0.749 -4.335 1006 HZ3 TRP 140 HZ3 TRP 140 99.969 -2.841 -2.453 1007 HH2 TRP 140 HH2 TRP 140 98.090 -1.421 -3.216 1008 H ILE 141 H ILE 141 105.671 -1.852 -1.202 1009 HA ILE 141 HA ILE 141 108.511 -1.495 -1.969 1010 HB ILE 141 HB ILE 141 109.216 -2.099 0.269 1011 HG12 ILE 141 1HG1 ILE 141 106.280 -2.074 1.036 1012 HG13 ILE 141 2HG1 ILE 141 107.232 -3.542 0.808 1013 HG21 ILE 141 1HG2 ILE 141 108.920 -0.008 1.179 1014 HG22 ILE 141 2HG2 ILE 141 107.188 0.021 0.857 1015 HG23 ILE 141 3HG2 ILE 141 108.330 0.330 -0.445 1016 HD11 ILE 141 3HD1 ILE 141 108.880 -2.408 2.507 1017 HD12 ILE 141 1HD1 ILE 141 107.431 -3.211 3.110 1018 HD13 ILE 141 2HD1 ILE 141 107.467 -1.455 2.955 1019 H ALA 142 H ALA 142 109.669 -3.308 -2.379 1020 HA ALA 142 HA ALA 142 108.406 -5.924 -1.877 1021 HB1 ALA 142 1HB ALA 142 107.984 -5.203 -4.259 1022 HB2 ALA 142 2HB ALA 142 108.895 -6.705 -4.103 1023 HB3 ALA 142 3HB ALA 142 109.732 -5.205 -4.502 1024 H GLY 143 H GLY 143 109.814 -7.313 -0.975 1025 HA2 GLY 143 1HA GLY 143 112.713 -6.825 -1.322 1026 HA3 GLY 143 2HA GLY 143 112.026 -6.973 0.290 1027 H VAL 144 H VAL 144 114.055 -8.609 -0.928 1028 HA VAL 144 HA VAL 144 112.698 -11.243 -0.958 1029 HB VAL 144 HB VAL 144 114.643 -12.052 -2.279 1030 HG11 VAL 144 1HG1 VAL 144 112.862 -11.573 -3.690 1031 HG12 VAL 144 2HG1 VAL 144 114.095 -10.502 -4.352 1032 HG13 VAL 144 3HG1 VAL 144 112.856 -9.859 -3.274 1033 HG21 VAL 144 3HG2 VAL 144 116.183 -10.401 -3.271 1034 HG22 VAL 144 1HG2 VAL 144 116.274 -10.354 -1.510 1035 HG23 VAL 144 2HG2 VAL 144 115.381 -9.107 -2.381 1036 H GLY 145 H GLY 145 113.510 -12.798 0.435 1037 HA2 GLY 145 1HA GLY 145 115.987 -12.293 1.883 1038 HA3 GLY 145 2HA GLY 145 114.519 -12.225 2.847 1039 H TYR 146 H TYR 146 116.175 -13.959 3.721 1040 HA TYR 146 HA TYR 146 114.986 -16.556 3.038 1041 HB2 TYR 146 1HB TYR 146 117.098 -17.670 3.018 1042 HB3 TYR 146 2HB TYR 146 117.198 -16.337 1.892 1043 HD1 TYR 146 HD1 TYR 146 118.505 -14.287 2.501 1044 HD2 TYR 146 HD2 TYR 146 118.509 -17.824 4.938 1045 HE1 TYR 146 HE1 TYR 146 120.547 -13.487 3.660 1046 HE2 TYR 146 HE2 TYR 146 120.552 -17.024 6.094 1047 HH TYR 146 HH TYR 146 121.791 -13.801 5.617 1048 H ARG 147 H ARG 147 115.343 -18.153 4.827 1049 HA ARG 147 HA ARG 147 115.896 -16.908 7.427 1050 HB2 ARG 147 1HB ARG 147 113.816 -17.724 8.390 1051 HB3 ARG 147 2HB ARG 147 113.472 -16.657 7.031 1052 HG2 ARG 147 1HG ARG 147 113.255 -18.709 5.577 1053 HG3 ARG 147 2HG ARG 147 113.388 -19.687 7.040 1054 HD2 ARG 147 1HD ARG 147 111.430 -18.455 7.987 1055 HD3 ARG 147 2HD ARG 147 111.260 -17.613 6.450 1056 HE ARG 147 HE ARG 147 111.252 -20.261 5.760 1057 HH11 ARG 147 1HH1 ARG 147 109.327 -18.346 7.987 1058 HH12 ARG 147 2HH1 ARG 147 107.933 -19.358 7.806 1059 HH21 ARG 147 1HH2 ARG 147 109.425 -21.526 5.570 1060 HH22 ARG 147 2HH2 ARG 147 107.988 -21.136 6.456 1061 H PHE 148 H PHE 148 116.473 -18.345 9.073 1062 HA PHE 148 HA PHE 148 117.921 -20.620 8.269 1063 HB2 PHE 148 1HB PHE 148 118.342 -19.320 10.340 1064 HB3 PHE 148 2HB PHE 148 116.861 -19.966 11.020 1065 HD1 PHE 148 HD1 PHE 148 120.295 -20.783 9.913 1066 HD2 PHE 148 HD2 PHE 148 116.762 -22.209 11.896 1067 HE1 PHE 148 HE1 PHE 148 121.556 -22.752 10.744 1068 HE2 PHE 148 HE2 PHE 148 118.022 -24.177 12.729 1069 HZ PHE 148 HZ PHE 148 120.419 -24.447 12.152 Start of MODEL 12 1 H1 ALA 1 3H ALA 1 113.525 -23.066 10.926 2 H2 ALA 1 2H ALA 1 114.780 -22.166 11.633 3 H3 ALA 1 HT3 ALA 1 114.576 -22.165 9.946 4 HA ALA 1 HA ALA 1 113.368 -20.338 10.150 5 HB1 ALA 1 2HB ALA 1 111.485 -21.806 9.919 6 HB2 ALA 1 3HB ALA 1 111.073 -20.666 11.200 7 HB3 ALA 1 1HB ALA 1 111.587 -22.304 11.608 8 H THR 2 H THR 2 114.951 -19.268 11.455 9 HA THR 2 HA THR 2 114.097 -18.863 14.264 10 HB THR 2 HB THR 2 116.935 -18.756 13.217 11 HG1 THR 2 HG1 THR 2 117.139 -20.703 14.399 12 HG21 THR 2 3HG2 THR 2 117.424 -18.783 15.695 13 HG22 THR 2 1HG2 THR 2 115.700 -18.543 15.972 14 HG23 THR 2 2HG2 THR 2 116.636 -17.313 15.123 15 H SER 3 H SER 3 116.223 -17.375 11.812 16 HA SER 3 HA SER 3 114.916 -14.774 12.353 17 HB2 SER 3 1HB SER 3 117.879 -15.251 11.934 18 HB3 SER 3 2HB SER 3 117.103 -13.683 12.125 19 HG SER 3 HG SER 3 117.762 -14.240 14.136 20 H THR 4 H THR 4 114.755 -13.375 10.577 21 HA THR 4 HA THR 4 115.440 -14.557 7.943 22 HB THR 4 HB THR 4 112.977 -12.906 8.526 23 HG1 THR 4 HG1 THR 4 113.464 -15.667 8.606 24 HG21 THR 4 3HG2 THR 4 112.287 -13.636 6.324 25 HG22 THR 4 1HG2 THR 4 113.692 -14.692 6.189 26 HG23 THR 4 2HG2 THR 4 113.900 -12.940 6.194 27 H VAL 5 H VAL 5 116.322 -13.208 6.467 28 HA VAL 5 HA VAL 5 116.606 -10.345 7.209 29 HB VAL 5 HB VAL 5 118.620 -12.053 5.722 30 HG11 VAL 5 1HG1 VAL 5 118.618 -9.663 5.084 31 HG12 VAL 5 2HG1 VAL 5 120.075 -10.083 5.986 32 HG13 VAL 5 3HG1 VAL 5 118.764 -9.214 6.783 33 HG21 VAL 5 3HG2 VAL 5 119.979 -11.892 7.747 34 HG22 VAL 5 1HG2 VAL 5 118.422 -12.616 8.151 35 HG23 VAL 5 2HG2 VAL 5 118.735 -10.924 8.537 36 H THR 6 H THR 6 115.672 -9.010 5.797 37 HA THR 6 HA THR 6 115.368 -9.902 2.987 38 HB THR 6 HB THR 6 113.307 -8.360 4.577 39 HG1 THR 6 HG1 THR 6 113.650 -10.631 5.145 40 HG21 THR 6 3HG2 THR 6 111.897 -8.714 2.638 41 HG22 THR 6 1HG2 THR 6 113.135 -9.707 1.869 42 HG23 THR 6 2HG2 THR 6 113.406 -7.979 2.098 43 H GLY 7 H GLY 7 115.726 -8.404 1.439 44 HA2 GLY 7 1HA GLY 7 115.998 -5.570 2.249 45 HA3 GLY 7 2HA GLY 7 117.206 -6.326 1.202 46 H GLY 8 H GLY 8 115.100 -4.118 0.761 47 HA2 GLY 8 1HA GLY 8 114.210 -5.114 -1.836 48 HA3 GLY 8 2HA GLY 8 112.931 -4.741 -0.686 49 H TYR 9 H TYR 9 112.609 -3.348 -2.764 50 HA TYR 9 HA TYR 9 113.752 -0.678 -2.223 51 HB2 TYR 9 1HB TYR 9 114.058 -0.245 -4.556 52 HB3 TYR 9 2HB TYR 9 114.910 -1.724 -4.160 53 HD1 TYR 9 HD1 TYR 9 114.001 -3.925 -4.903 54 HD2 TYR 9 HD2 TYR 9 112.223 -0.202 -6.096 55 HE1 TYR 9 HE1 TYR 9 112.789 -5.088 -6.727 56 HE2 TYR 9 HE2 TYR 9 111.011 -1.365 -7.920 57 HH TYR 9 HH TYR 9 110.243 -4.092 -8.167 58 H ALA 10 H ALA 10 112.373 1.036 -2.631 59 HA ALA 10 HA ALA 10 109.567 0.347 -3.236 60 HB1 ALA 10 1HB ALA 10 110.204 2.324 -1.081 61 HB2 ALA 10 2HB ALA 10 110.248 0.600 -0.707 62 HB3 ALA 10 3HB ALA 10 108.760 1.335 -1.302 63 H GLN 11 H GLN 11 108.321 1.990 -4.113 64 HA GLN 11 HA GLN 11 109.809 4.411 -4.982 65 HB2 GLN 11 1HB GLN 11 109.180 2.841 -6.837 66 HB3 GLN 11 2HB GLN 11 107.486 3.093 -6.408 67 HG2 GLN 11 1HG GLN 11 107.816 5.549 -6.737 68 HG3 GLN 11 2HG GLN 11 109.454 5.221 -7.298 69 HE21 GLN 11 1HE2 GLN 11 109.530 5.262 -9.541 70 HE22 GLN 11 2HE2 GLN 11 108.311 4.679 -10.569 71 H SER 12 H SER 12 108.891 6.367 -4.547 72 HA SER 12 HA SER 12 106.339 6.315 -3.038 73 HB2 SER 12 1HB SER 12 108.344 6.993 -1.724 74 HB3 SER 12 2HB SER 12 108.603 8.317 -2.856 75 HG SER 12 HG SER 12 107.361 9.245 -1.362 76 H ASP 13 H ASP 13 104.751 7.731 -3.573 77 HA ASP 13 HA ASP 13 104.796 8.660 -6.298 78 HB2 ASP 13 1HB ASP 13 102.807 7.585 -5.267 79 HB3 ASP 13 2HB ASP 13 102.638 8.979 -4.201 80 H ALA 14 H ALA 14 105.163 10.622 -7.020 81 HA ALA 14 HA ALA 14 105.966 12.686 -5.149 82 HB1 ALA 14 1HB ALA 14 106.385 13.883 -7.463 83 HB2 ALA 14 2HB ALA 14 106.219 12.245 -8.093 84 HB3 ALA 14 3HB ALA 14 107.461 12.606 -6.898 85 H GLN 15 H GLN 15 105.030 14.618 -4.832 86 HA GLN 15 HA GLN 15 102.309 15.040 -5.812 87 HB2 GLN 15 1HB GLN 15 102.923 15.453 -3.411 88 HB3 GLN 15 2HB GLN 15 103.975 16.761 -3.953 89 HG2 GLN 15 1HG GLN 15 102.066 17.921 -4.956 90 HG3 GLN 15 2HG GLN 15 100.998 16.595 -4.503 91 HE21 GLN 15 1HE2 GLN 15 100.269 19.055 -3.544 92 HE22 GLN 15 2HE2 GLN 15 100.615 19.192 -1.889 93 H GLY 16 H GLY 16 101.740 17.097 -6.873 94 HA2 GLY 16 1HA GLY 16 103.164 17.420 -9.213 95 HA3 GLY 16 2HA GLY 16 102.029 18.610 -8.588 96 H GLN 17 H GLN 17 104.529 18.982 -10.054 97 HA GLN 17 HA GLN 17 106.452 20.202 -10.075 98 HB2 GLN 17 1HB GLN 17 105.294 21.426 -7.556 99 HB3 GLN 17 2HB GLN 17 106.664 22.058 -8.464 100 HG2 GLN 17 1HG GLN 17 105.272 22.358 -10.443 101 HG3 GLN 17 2HG GLN 17 103.896 21.634 -9.616 102 HE21 GLN 17 1HE2 GLN 17 103.779 24.296 -10.670 103 HE22 GLN 17 2HE2 GLN 17 103.660 25.377 -9.368 104 H MET 18 H MET 18 106.529 17.609 -8.930 105 HA MET 18 HA MET 18 109.078 17.838 -7.577 106 HB2 MET 18 1HB MET 18 107.213 17.933 -5.784 107 HB3 MET 18 2HB MET 18 106.963 16.229 -6.162 108 HG2 MET 18 1HG MET 18 109.411 15.841 -5.748 109 HG3 MET 18 2HG MET 18 109.529 17.510 -5.190 110 HE1 MET 18 3HE MET 18 107.996 18.528 -3.705 111 HE2 MET 18 1HE MET 18 107.592 17.856 -2.121 112 HE3 MET 18 2HE MET 18 106.463 17.696 -3.466 113 H ASN 19 H ASN 19 110.237 15.824 -7.569 114 HA ASN 19 HA ASN 19 109.210 13.930 -9.582 115 HB2 ASN 19 1HB ASN 19 112.013 14.447 -8.568 116 HB3 ASN 19 2HB ASN 19 111.590 13.201 -9.740 117 HD21 ASN 19 1HD2 ASN 19 113.354 15.457 -10.308 118 HD22 ASN 19 2HD2 ASN 19 112.602 16.389 -11.509 119 H LYS 20 H LYS 20 109.307 11.691 -9.242 120 HA LYS 20 HA LYS 20 108.473 10.777 -6.741 121 HB2 LYS 20 1HB LYS 20 109.781 9.193 -8.965 122 HB3 LYS 20 2HB LYS 20 108.832 8.516 -7.640 123 HG2 LYS 20 1HG LYS 20 106.915 9.992 -8.395 124 HG3 LYS 20 2HG LYS 20 107.866 10.370 -9.831 125 HD2 LYS 20 1HD LYS 20 107.098 7.567 -8.967 126 HD3 LYS 20 2HD LYS 20 106.257 8.498 -10.206 127 HE2 LYS 20 1HE LYS 20 108.572 8.729 -11.333 128 HE3 LYS 20 2HE LYS 20 109.073 7.416 -10.267 129 HZ1 LYS 20 3HZ LYS 20 108.314 6.197 -11.996 130 HZ2 LYS 20 1HZ LYS 20 107.214 7.381 -12.512 131 HZ3 LYS 20 2HZ LYS 20 106.834 6.391 -11.184 132 H MET 21 H MET 21 109.597 9.019 -5.446 133 HA MET 21 HA MET 21 112.480 9.662 -5.133 134 HB2 MET 21 1HB MET 21 110.397 9.443 -2.950 135 HB3 MET 21 2HB MET 21 112.136 9.540 -2.669 136 HG2 MET 21 1HG MET 21 112.183 11.704 -3.901 137 HG3 MET 21 2HG MET 21 110.429 11.622 -4.064 138 HE1 MET 21 3HE MET 21 110.362 14.338 -1.584 139 HE2 MET 21 1HE MET 21 110.398 13.824 -3.274 140 HE3 MET 21 2HE MET 21 111.896 14.227 -2.442 141 H GLY 22 H GLY 22 113.695 7.997 -3.914 142 HA2 GLY 22 1HA GLY 22 112.492 5.302 -4.292 143 HA3 GLY 22 2HA GLY 22 114.178 5.665 -4.652 144 H GLY 23 H GLY 23 112.964 3.753 -2.707 145 HA2 GLY 23 1HA GLY 23 114.463 4.684 -0.337 146 HA3 GLY 23 2HA GLY 23 112.840 4.030 -0.154 147 H PHE 24 H PHE 24 115.591 3.156 0.748 148 HA PHE 24 HA PHE 24 115.475 0.372 -0.265 149 HB2 PHE 24 1HB PHE 24 117.626 1.554 -0.635 150 HB3 PHE 24 2HB PHE 24 117.755 1.820 1.092 151 HD1 PHE 24 HD1 PHE 24 118.304 -0.016 2.612 152 HD2 PHE 24 HD2 PHE 24 117.981 -0.643 -1.625 153 HE1 PHE 24 HE1 PHE 24 119.440 -2.207 2.848 154 HE2 PHE 24 HE2 PHE 24 119.115 -2.834 -1.389 155 HZ PHE 24 HZ PHE 24 119.845 -3.619 0.848 156 H ASN 25 H ASN 25 115.090 -1.265 1.225 157 HA ASN 25 HA ASN 25 114.760 -0.418 4.049 158 HB2 ASN 25 1HB ASN 25 112.591 -0.452 2.753 159 HB3 ASN 25 2HB ASN 25 112.820 -2.189 2.567 160 HD21 ASN 25 1HD2 ASN 25 111.584 -3.280 4.086 161 HD22 ASN 25 2HD2 ASN 25 111.358 -2.790 5.694 162 H LEU 26 H LEU 26 115.427 -1.813 5.549 163 HA LEU 26 HA LEU 26 116.039 -4.601 4.738 164 HB2 LEU 26 1HB LEU 26 117.484 -2.919 6.806 165 HB3 LEU 26 2HB LEU 26 117.853 -4.593 6.390 166 HG LEU 26 HG LEU 26 117.958 -2.277 4.435 167 HD11 LEU 26 1HD1 LEU 26 120.454 -2.725 4.585 168 HD12 LEU 26 2HD1 LEU 26 120.114 -3.712 6.006 169 HD13 LEU 26 3HD1 LEU 26 119.744 -1.988 6.020 170 HD21 LEU 26 3HD2 LEU 26 119.369 -4.124 3.219 171 HD22 LEU 26 1HD2 LEU 26 117.608 -4.213 3.151 172 HD23 LEU 26 2HD2 LEU 26 118.502 -5.236 4.277 173 H LYS 27 H LYS 27 115.311 -6.220 6.133 174 HA LYS 27 HA LYS 27 113.691 -5.312 8.441 175 HB2 LYS 27 1HB LYS 27 112.871 -7.349 6.358 176 HB3 LYS 27 2HB LYS 27 111.947 -6.906 7.793 177 HG2 LYS 27 1HG LYS 27 111.697 -4.629 6.998 178 HG3 LYS 27 2HG LYS 27 112.757 -4.949 5.626 179 HD2 LYS 27 1HD LYS 27 110.485 -5.076 4.828 180 HD3 LYS 27 2HD LYS 27 111.120 -6.719 4.881 181 HE2 LYS 27 1HE LYS 27 109.703 -5.659 7.302 182 HE3 LYS 27 2HE LYS 27 108.742 -6.160 5.910 183 HZ1 LYS 27 3HZ LYS 27 110.772 -8.057 6.454 184 HZ2 LYS 27 1HZ LYS 27 109.090 -8.275 6.404 185 HZ3 LYS 27 2HZ LYS 27 109.840 -7.786 7.848 186 H TYR 28 H TYR 28 113.738 -6.591 10.213 187 HA TYR 28 HA TYR 28 115.075 -9.229 10.013 188 HB2 TYR 28 1HB TYR 28 115.074 -7.305 12.346 189 HB3 TYR 28 2HB TYR 28 115.800 -8.900 12.340 190 HD1 TYR 28 HD2 TYR 28 117.882 -9.330 11.128 191 HD2 TYR 28 HD1 TYR 28 116.080 -5.432 11.160 192 HE1 TYR 28 HE2 TYR 28 119.988 -8.351 10.259 193 HE2 TYR 28 HE1 TYR 28 118.185 -4.451 10.290 194 HH TYR 28 HH TYR 28 120.166 -5.037 9.187 195 H ARG 29 H ARG 29 113.922 -10.936 10.789 196 HA ARG 29 HA ARG 29 111.473 -10.386 12.338 197 HB2 ARG 29 1HB ARG 29 110.880 -10.543 9.930 198 HB3 ARG 29 2HB ARG 29 111.570 -12.164 9.893 199 HG2 ARG 29 1HG ARG 29 109.968 -12.928 11.568 200 HG3 ARG 29 2HG ARG 29 109.310 -11.300 11.719 201 HD2 ARG 29 1HD ARG 29 107.843 -12.529 10.254 202 HD3 ARG 29 2HD ARG 29 108.747 -11.388 9.263 203 HE ARG 29 HE ARG 29 110.292 -13.555 9.054 204 HH11 ARG 29 1HH1 ARG 29 106.798 -13.300 8.802 205 HH12 ARG 29 2HH1 ARG 29 106.679 -14.648 7.723 206 HH21 ARG 29 1HH2 ARG 29 110.072 -15.285 7.665 207 HH22 ARG 29 2HH2 ARG 29 108.509 -15.757 7.088 208 H TYR 30 H TYR 30 110.888 -11.957 13.783 209 HA TYR 30 HA TYR 30 112.719 -14.262 14.046 210 HB2 TYR 30 1HB TYR 30 110.815 -13.020 16.041 211 HB3 TYR 30 2HB TYR 30 111.837 -14.411 16.348 212 HD1 TYR 30 HD1 TYR 30 114.324 -14.144 16.414 213 HD2 TYR 30 HD2 TYR 30 111.664 -10.786 16.111 214 HE1 TYR 30 HE1 TYR 30 116.160 -12.627 17.105 215 HE2 TYR 30 HE2 TYR 30 113.498 -9.269 16.804 216 HH TYR 30 HH TYR 30 116.663 -10.538 17.778 217 H GLU 31 H GLU 31 111.888 -16.358 14.143 218 HA GLU 31 HA GLU 31 109.243 -16.622 12.916 219 HB2 GLU 31 1HB GLU 31 111.419 -18.667 13.416 220 HB3 GLU 31 2HB GLU 31 109.917 -18.973 12.543 221 HG2 GLU 31 1HG GLU 31 112.004 -16.919 11.763 222 HG3 GLU 31 2HG GLU 31 111.796 -18.490 11.000 223 H GLU 32 H GLU 32 107.509 -17.262 13.971 224 HA GLU 32 HA GLU 32 107.783 -18.451 16.651 225 HB2 GLU 32 1HB GLU 32 106.091 -16.042 15.951 226 HB3 GLU 32 2HB GLU 32 106.068 -16.889 17.500 227 HG2 GLU 32 1HG GLU 32 108.506 -15.578 16.266 228 HG3 GLU 32 2HG GLU 32 107.539 -14.890 17.562 229 H ASP 33 H ASP 33 105.939 -19.549 17.409 230 HA ASP 33 HA ASP 33 104.567 -20.997 15.347 231 HB2 ASP 33 1HB ASP 33 104.270 -21.048 18.358 232 HB3 ASP 33 2HB ASP 33 103.508 -22.186 17.250 233 H ASN 34 H ASN 34 102.095 -21.456 15.990 234 HA ASN 34 HA ASN 34 100.648 -19.259 15.085 235 HB2 ASN 34 1HB ASN 34 99.708 -21.667 16.648 236 HB3 ASN 34 2HB ASN 34 98.642 -20.534 15.821 237 HD21 ASN 34 1HD2 ASN 34 98.888 -23.368 15.142 238 HD22 ASN 34 2HD2 ASN 34 99.493 -23.447 13.558 239 H SER 35 H SER 35 101.483 -20.125 18.420 240 HA SER 35 HA SER 35 99.375 -18.363 19.428 241 HB2 SER 35 1HB SER 35 101.161 -20.413 20.689 242 HB3 SER 35 2HB SER 35 100.275 -19.257 21.677 243 HG SER 35 HG SER 35 99.384 -21.406 20.199 244 HA PRO 36 HA PRO 36 102.848 -15.598 20.541 245 HB2 PRO 36 1HB PRO 36 105.490 -16.345 19.907 246 HB3 PRO 36 2HB PRO 36 104.714 -16.481 21.492 247 HG2 PRO 36 1HG PRO 36 105.566 -18.583 19.845 248 HG3 PRO 36 2HG PRO 36 104.586 -18.704 21.314 249 HD2 PRO 36 1HD PRO 36 103.712 -18.738 18.467 250 HD3 PRO 36 2HD PRO 36 103.000 -19.568 19.869 251 H LEU 37 H LEU 37 103.132 -13.811 19.310 252 HA LEU 37 HA LEU 37 102.998 -14.068 16.445 253 HB2 LEU 37 1HB LEU 37 102.808 -11.627 16.450 254 HB3 LEU 37 2HB LEU 37 101.710 -12.352 17.620 255 HG LEU 37 HG LEU 37 103.803 -11.989 19.255 256 HD11 LEU 37 1HD1 LEU 37 105.423 -11.017 17.896 257 HD12 LEU 37 2HD1 LEU 37 104.647 -9.585 18.565 258 HD13 LEU 37 3HD1 LEU 37 104.236 -10.133 16.938 259 HD21 LEU 37 3HD2 LEU 37 101.885 -9.794 18.409 260 HD22 LEU 37 1HD2 LEU 37 102.788 -9.828 19.924 261 HD23 LEU 37 2HD2 LEU 37 101.558 -11.051 19.604 262 H GLY 38 H GLY 38 104.416 -12.857 14.977 263 HA2 GLY 38 1HA GLY 38 107.228 -13.261 15.746 264 HA3 GLY 38 2HA GLY 38 106.616 -13.103 14.100 265 H VAL 39 H VAL 39 108.755 -11.571 15.668 266 HA VAL 39 HA VAL 39 107.511 -8.884 15.724 267 HB VAL 39 HB VAL 39 110.173 -9.782 16.860 268 HG11 VAL 39 1HG1 VAL 39 108.572 -7.220 17.136 269 HG12 VAL 39 2HG1 VAL 39 110.131 -7.399 16.328 270 HG13 VAL 39 3HG1 VAL 39 110.014 -7.605 18.077 271 HG21 VAL 39 3HG2 VAL 39 107.562 -9.185 18.287 272 HG22 VAL 39 1HG2 VAL 39 109.072 -9.705 19.035 273 HG23 VAL 39 2HG2 VAL 39 108.182 -10.808 17.986 274 H ILE 40 H ILE 40 107.932 -7.501 14.116 275 HA ILE 40 HA ILE 40 110.319 -7.995 12.423 276 HB ILE 40 HB ILE 40 107.664 -6.795 11.583 277 HG12 ILE 40 1HG1 ILE 40 108.865 -9.465 10.809 278 HG13 ILE 40 2HG1 ILE 40 107.653 -9.285 12.077 279 HG21 ILE 40 1HG2 ILE 40 108.593 -6.860 9.338 280 HG22 ILE 40 2HG2 ILE 40 110.056 -7.650 9.924 281 HG23 ILE 40 3HG2 ILE 40 109.714 -5.979 10.377 282 HD11 ILE 40 3HD1 ILE 40 106.694 -9.884 9.826 283 HD12 ILE 40 1HD1 ILE 40 107.260 -8.324 9.228 284 HD13 ILE 40 2HD1 ILE 40 106.047 -8.391 10.505 285 H GLY 41 H GLY 41 111.686 -6.336 12.185 286 HA2 GLY 41 1HA GLY 41 110.744 -3.601 12.800 287 HA3 GLY 41 2HA GLY 41 112.269 -4.190 13.467 288 H SER 42 H SER 42 111.483 -2.063 11.332 289 HA SER 42 HA SER 42 113.439 -2.970 9.310 290 HB2 SER 42 1HB SER 42 112.025 -2.427 7.486 291 HB3 SER 42 2HB SER 42 111.045 -3.403 8.573 292 HG SER 42 HG SER 42 110.534 -0.992 7.682 293 H PHE 43 H PHE 43 114.545 -1.384 8.248 294 HA PHE 43 HA PHE 43 114.142 1.401 9.187 295 HB2 PHE 43 1HB PHE 43 116.747 0.022 8.506 296 HB3 PHE 43 2HB PHE 43 116.571 1.707 8.952 297 HD1 PHE 43 HD1 PHE 43 116.042 2.345 11.276 298 HD2 PHE 43 HD2 PHE 43 116.636 -1.756 10.142 299 HE1 PHE 43 HE1 PHE 43 116.289 1.721 13.662 300 HE2 PHE 43 HE2 PHE 43 116.882 -2.379 12.529 301 HZ PHE 43 HZ PHE 43 116.710 -0.641 14.291 302 H THR 44 H THR 44 113.980 2.914 7.586 303 HA THR 44 HA THR 44 114.653 2.069 4.825 304 HB THR 44 HB THR 44 112.227 1.918 5.155 305 HG1 THR 44 HG1 THR 44 112.719 4.264 3.684 306 HG21 THR 44 3HG2 THR 44 112.282 4.890 5.716 307 HG22 THR 44 1HG2 THR 44 112.184 3.675 6.989 308 HG23 THR 44 2HG2 THR 44 110.896 3.804 5.791 309 H TYR 45 H TYR 45 115.627 3.524 3.565 310 HA TYR 45 HA TYR 45 115.948 6.295 4.576 311 HB2 TYR 45 1HB TYR 45 117.997 4.704 3.026 312 HB3 TYR 45 2HB TYR 45 118.197 6.313 3.691 313 HD1 TYR 45 HD1 TYR 45 118.457 6.637 6.134 314 HD2 TYR 45 HD2 TYR 45 118.185 2.724 4.382 315 HE1 TYR 45 HE1 TYR 45 119.336 5.638 8.228 316 HE2 TYR 45 HE2 TYR 45 119.065 1.726 6.475 317 HH TYR 45 HH TYR 45 119.121 3.249 9.355 318 H THR 46 H THR 46 115.584 7.903 3.073 319 HA THR 46 HA THR 46 114.663 7.000 0.421 320 HB THR 46 HB THR 46 114.233 9.677 1.763 321 HG1 THR 46 HG1 THR 46 112.034 8.655 1.871 322 HG21 THR 46 3HG2 THR 46 113.172 8.355 -0.735 323 HG22 THR 46 1HG2 THR 46 113.964 9.925 -0.585 324 HG23 THR 46 2HG2 THR 46 112.331 9.697 0.041 325 H GLU 47 H GLU 47 115.413 7.932 -1.475 326 HA GLU 47 HA GLU 47 117.819 9.633 -1.246 327 HB2 GLU 47 1HB GLU 47 117.489 7.203 -3.024 328 HB3 GLU 47 2HB GLU 47 118.868 8.303 -3.039 329 HG2 GLU 47 1HG GLU 47 117.958 6.676 -0.648 330 HG3 GLU 47 2HG GLU 47 119.320 6.274 -1.687 331 H LYS 48 H LYS 48 118.143 11.074 -2.902 332 HA LYS 48 HA LYS 48 116.118 11.202 -5.042 333 HB2 LYS 48 1HB LYS 48 115.530 12.794 -3.208 334 HB3 LYS 48 2HB LYS 48 117.094 13.575 -3.432 335 HG2 LYS 48 1HG LYS 48 115.576 14.874 -4.715 336 HG3 LYS 48 2HG LYS 48 116.414 13.865 -5.894 337 HD2 LYS 48 1HD LYS 48 114.552 12.283 -5.921 338 HD3 LYS 48 2HD LYS 48 113.723 13.203 -4.665 339 HE2 LYS 48 1HE LYS 48 112.711 13.959 -6.650 340 HE3 LYS 48 2HE LYS 48 113.911 15.203 -6.303 341 HZ1 LYS 48 3HZ LYS 48 113.720 13.510 -8.552 342 HZ2 LYS 48 1HZ LYS 48 115.198 13.231 -7.767 343 HZ3 LYS 48 2HZ LYS 48 114.792 14.800 -8.277 344 H SER 49 H SER 49 116.935 11.760 -7.023 345 HA SER 49 HA SER 49 119.866 12.128 -7.152 346 HB2 SER 49 1HB SER 49 118.926 10.123 -8.279 347 HB3 SER 49 2HB SER 49 117.956 11.181 -9.300 348 HG SER 49 HG SER 49 120.271 10.388 -9.897 349 H ARG 50 H ARG 50 120.740 13.882 -8.065 350 HA ARG 50 HA ARG 50 119.020 15.699 -9.634 351 HB2 ARG 50 1HB ARG 50 120.916 16.493 -7.410 352 HB3 ARG 50 2HB ARG 50 120.133 17.623 -8.515 353 HG2 ARG 50 1HG ARG 50 117.918 16.802 -7.763 354 HG3 ARG 50 2HG ARG 50 118.721 15.724 -6.620 355 HD2 ARG 50 1HD ARG 50 118.084 17.711 -5.410 356 HD3 ARG 50 2HD ARG 50 119.834 17.745 -5.612 357 HE ARG 50 HE ARG 50 118.362 19.123 -7.693 358 HH11 ARG 50 1HH1 ARG 50 119.889 19.475 -4.552 359 HH12 ARG 50 2HH1 ARG 50 120.085 21.186 -4.727 360 HH21 ARG 50 1HH2 ARG 50 118.641 21.329 -7.863 361 HH22 ARG 50 2HH2 ARG 50 119.387 22.222 -6.579 362 H THR 51 H THR 51 120.392 17.347 -10.822 363 HA THR 51 HA THR 51 122.410 15.995 -12.328 364 HB THR 51 HB THR 51 122.670 18.115 -13.510 365 HG1 THR 51 HG1 THR 51 122.541 19.728 -12.146 366 HG21 THR 51 3HG2 THR 51 119.762 17.631 -12.807 367 HG22 THR 51 1HG2 THR 51 120.679 16.695 -13.986 368 HG23 THR 51 2HG2 THR 51 120.369 18.410 -14.268 369 H ALA 52 H ALA 52 124.612 17.054 -12.676 370 HA ALA 52 HA ALA 52 126.092 16.869 -10.302 371 HB1 ALA 52 1HB ALA 52 127.965 17.300 -11.600 372 HB2 ALA 52 2HB ALA 52 127.122 18.471 -12.616 373 HB3 ALA 52 3HB ALA 52 126.823 16.745 -12.825 374 H SER 53 H SER 53 126.163 18.211 -8.642 375 HA SER 53 HA SER 53 126.474 21.062 -9.008 376 HB2 SER 53 1HB SER 53 124.473 21.752 -7.862 377 HB3 SER 53 2HB SER 53 123.990 20.691 -9.183 378 HG SER 53 HG SER 53 122.979 20.169 -7.174 379 H SER 54 H SER 54 126.294 22.118 -6.684 380 HA SER 54 HA SER 54 128.315 21.014 -5.082 381 HB2 SER 54 1HB SER 54 127.746 22.728 -3.469 382 HB3 SER 54 2HB SER 54 127.630 23.402 -5.091 383 HG SER 54 HG SER 54 125.764 23.977 -4.095 384 H GLY 55 H GLY 55 124.883 20.352 -5.109 385 HA2 GLY 55 1HA GLY 55 124.666 19.404 -2.427 386 HA3 GLY 55 2HA GLY 55 123.525 19.108 -3.728 387 H ASP 56 H ASP 56 126.090 17.962 -5.211 388 HA ASP 56 HA ASP 56 126.967 15.882 -5.593 389 HB2 ASP 56 1HB ASP 56 126.687 15.670 -2.586 390 HB3 ASP 56 2HB ASP 56 127.606 14.558 -3.597 391 H TYR 57 H TYR 57 124.337 16.075 -6.196 392 HA TYR 57 HA TYR 57 122.499 14.788 -6.686 393 HB2 TYR 57 1HB TYR 57 124.192 12.488 -5.716 394 HB3 TYR 57 2HB TYR 57 122.805 12.401 -6.784 395 HD1 TYR 57 HD1 TYR 57 126.362 13.270 -6.492 396 HD2 TYR 57 HD2 TYR 57 122.985 13.062 -9.136 397 HE1 TYR 57 HE1 TYR 57 127.875 13.511 -8.441 398 HE2 TYR 57 HE2 TYR 57 124.498 13.304 -11.087 399 HH TYR 57 HH TYR 57 128.019 13.680 -10.646 400 H ASN 58 H ASN 58 122.778 15.895 -3.951 401 HA ASN 58 HA ASN 58 120.967 14.008 -2.557 402 HB2 ASN 58 1HB ASN 58 123.176 15.684 -1.342 403 HB3 ASN 58 2HB ASN 58 121.972 14.787 -0.420 404 HD21 ASN 58 1HD2 ASN 58 124.835 14.255 -0.304 405 HD22 ASN 58 2HD2 ASN 58 125.080 12.689 -0.908 406 H LYS 59 H LYS 59 119.021 14.901 -2.405 407 HA LYS 59 HA LYS 59 118.753 17.821 -2.314 408 HB2 LYS 59 1HB LYS 59 117.340 16.479 -3.881 409 HB3 LYS 59 2HB LYS 59 116.587 15.713 -2.482 410 HG2 LYS 59 1HG LYS 59 115.895 17.953 -1.655 411 HG3 LYS 59 2HG LYS 59 116.574 18.678 -3.114 412 HD2 LYS 59 1HD LYS 59 115.050 17.224 -4.475 413 HD3 LYS 59 2HD LYS 59 114.298 16.683 -2.975 414 HE2 LYS 59 1HE LYS 59 113.357 18.770 -2.535 415 HE3 LYS 59 2HE LYS 59 114.543 19.625 -3.521 416 HZ1 LYS 59 3HZ LYS 59 113.041 19.589 -5.133 417 HZ2 LYS 59 1HZ LYS 59 112.025 18.537 -4.274 418 HZ3 LYS 59 2HZ LYS 59 113.271 17.908 -5.243 419 H ASN 60 H ASN 60 117.048 15.158 -0.666 420 HA ASN 60 HA ASN 60 117.600 16.438 1.920 421 HB2 ASN 60 1HB ASN 60 115.266 16.228 2.608 422 HB3 ASN 60 2HB ASN 60 115.388 17.251 1.182 423 HD21 ASN 60 1HD2 ASN 60 112.951 15.899 1.865 424 HD22 ASN 60 2HD2 ASN 60 112.645 14.728 0.676 425 H GLN 61 H GLN 61 116.740 14.913 3.735 426 HA GLN 61 HA GLN 61 117.267 12.097 2.952 427 HB2 GLN 61 1HB GLN 61 118.279 13.570 5.396 428 HB3 GLN 61 2HB GLN 61 118.441 11.834 5.128 429 HG2 GLN 61 1HG GLN 61 119.739 12.234 3.097 430 HG3 GLN 61 2HG GLN 61 119.523 13.974 3.276 431 HE21 GLN 61 1HE2 GLN 61 122.129 12.782 3.207 432 HE22 GLN 61 2HE2 GLN 61 122.845 12.980 4.732 433 H TYR 62 H TYR 62 116.017 10.546 3.943 434 HA TYR 62 HA TYR 62 114.101 11.444 6.007 435 HB2 TYR 62 1HB TYR 62 113.080 11.391 3.694 436 HB3 TYR 62 2HB TYR 62 113.385 9.666 3.680 437 HD1 TYR 62 HD1 TYR 62 112.082 8.144 5.093 438 HD2 TYR 62 HD2 TYR 62 111.359 12.378 5.097 439 HE1 TYR 62 HE1 TYR 62 109.908 7.773 6.228 440 HE2 TYR 62 HE2 TYR 62 109.187 12.007 6.234 441 HH TYR 62 HH TYR 62 107.532 9.517 6.257 442 H TYR 63 H TYR 63 113.814 10.010 7.639 443 HA TYR 63 HA TYR 63 114.943 7.288 7.321 444 HB2 TYR 63 1HB TYR 63 115.232 9.071 9.744 445 HB3 TYR 63 2HB TYR 63 115.833 7.432 9.590 446 HD1 TYR 63 HD1 TYR 63 116.318 10.946 8.630 447 HD2 TYR 63 HD2 TYR 63 117.811 6.938 8.239 448 HE1 TYR 63 HE1 TYR 63 118.448 11.829 7.717 449 HE2 TYR 63 HE2 TYR 63 119.940 7.820 7.325 450 HH TYR 63 HH TYR 63 120.306 11.072 6.331 451 H GLY 64 H GLY 64 113.596 5.703 8.012 452 HA2 GLY 64 1HA GLY 64 111.419 6.436 9.886 453 HA3 GLY 64 2HA GLY 64 111.065 5.554 8.405 454 H ILE 65 H ILE 65 111.069 5.005 11.475 455 HA ILE 65 HA ILE 65 112.263 2.298 11.235 456 HB ILE 65 HB ILE 65 112.026 3.960 13.760 457 HG12 ILE 65 1HG1 ILE 65 114.507 3.187 12.194 458 HG13 ILE 65 2HG1 ILE 65 113.756 4.781 12.128 459 HG21 ILE 65 1HG2 ILE 65 111.872 1.455 13.994 460 HG22 ILE 65 2HG2 ILE 65 113.265 2.164 14.808 461 HG23 ILE 65 3HG2 ILE 65 113.472 1.342 13.260 462 HD11 ILE 65 3HD1 ILE 65 113.997 4.861 14.664 463 HD12 ILE 65 1HD1 ILE 65 115.505 4.943 13.754 464 HD13 ILE 65 2HD1 ILE 65 115.020 3.432 14.523 465 H THR 66 H THR 66 110.777 0.712 11.357 466 HA THR 66 HA THR 66 108.194 1.314 12.699 467 HB THR 66 HB THR 66 107.080 -0.090 11.035 468 HG1 THR 66 HG1 THR 66 108.393 -0.653 9.168 469 HG21 THR 66 3HG2 THR 66 108.666 2.300 10.171 470 HG22 THR 66 1HG2 THR 66 106.918 2.090 10.296 471 HG23 THR 66 2HG2 THR 66 107.798 1.379 8.944 472 H ALA 67 H ALA 67 107.175 -0.402 13.768 473 HA ALA 67 HA ALA 67 108.501 -3.009 13.809 474 HB1 ALA 67 1HB ALA 67 109.506 -1.951 15.725 475 HB2 ALA 67 2HB ALA 67 108.280 -3.069 16.321 476 HB3 ALA 67 3HB ALA 67 107.943 -1.338 16.268 477 H GLY 68 H GLY 68 107.030 -4.739 14.195 478 HA2 GLY 68 1HA GLY 68 104.353 -4.226 15.117 479 HA3 GLY 68 2HA GLY 68 104.422 -4.402 13.372 480 HA PRO 69 HA PRO 69 104.466 -8.701 15.099 481 HB2 PRO 69 1HB PRO 69 101.881 -9.275 15.673 482 HB3 PRO 69 2HB PRO 69 102.956 -8.472 16.833 483 HG2 PRO 69 1HG PRO 69 100.689 -7.393 15.354 484 HG3 PRO 69 2HG PRO 69 101.505 -6.763 16.793 485 HD2 PRO 69 1HD PRO 69 101.858 -5.960 14.020 486 HD3 PRO 69 2HD PRO 69 102.533 -5.213 15.484 487 H ALA 70 H ALA 70 104.702 -10.020 13.420 488 HA ALA 70 HA ALA 70 102.913 -10.107 11.148 489 HB1 ALA 70 1HB ALA 70 105.522 -10.672 11.377 490 HB2 ALA 70 2HB ALA 70 104.500 -11.429 10.156 491 HB3 ALA 70 3HB ALA 70 104.878 -12.289 11.648 492 H TYR 71 H TYR 71 101.437 -11.753 10.669 493 HA TYR 71 HA TYR 71 101.013 -13.821 12.745 494 HB2 TYR 71 1HB TYR 71 99.156 -12.176 12.640 495 HB3 TYR 71 2HB TYR 71 98.950 -12.543 10.938 496 HD1 TYR 71 HD1 TYR 71 98.613 -13.857 14.381 497 HD2 TYR 71 HD2 TYR 71 97.819 -14.545 10.216 498 HE1 TYR 71 HE1 TYR 71 97.083 -15.715 14.979 499 HE2 TYR 71 HE2 TYR 71 96.288 -16.401 10.813 500 HH TYR 71 HH TYR 71 96.173 -18.037 13.051 501 H ARG 72 H ARG 72 101.104 -15.902 11.997 502 HA ARG 72 HA ARG 72 101.961 -16.136 9.198 503 HB2 ARG 72 1HB ARG 72 103.425 -16.974 11.035 504 HB3 ARG 72 2HB ARG 72 102.181 -18.160 11.434 505 HG2 ARG 72 1HG ARG 72 102.323 -19.059 9.124 506 HG3 ARG 72 2HG ARG 72 103.617 -17.912 8.774 507 HD2 ARG 72 1HD ARG 72 104.940 -18.897 10.651 508 HD3 ARG 72 2HD ARG 72 103.676 -20.103 10.865 509 HE ARG 72 HE ARG 72 104.289 -20.387 8.252 510 HH11 ARG 72 1HH1 ARG 72 106.351 -20.257 11.091 511 HH12 ARG 72 2HH1 ARG 72 107.568 -21.260 10.374 512 HH21 ARG 72 1HH2 ARG 72 105.890 -21.674 7.384 513 HH22 ARG 72 2HH2 ARG 72 107.309 -22.051 8.300 514 H ILE 73 H ILE 73 100.329 -16.477 7.870 515 HA ILE 73 HA ILE 73 98.321 -18.528 8.469 516 HB ILE 73 HB ILE 73 98.564 -16.688 6.072 517 HG12 ILE 73 1HG1 ILE 73 96.719 -16.537 8.479 518 HG13 ILE 73 2HG1 ILE 73 98.143 -15.524 8.251 519 HG21 ILE 73 1HG2 ILE 73 97.320 -18.777 5.625 520 HG22 ILE 73 2HG2 ILE 73 96.236 -17.387 5.642 521 HG23 ILE 73 3HG2 ILE 73 96.301 -18.471 7.033 522 HD11 ILE 73 3HD1 ILE 73 96.520 -14.132 7.363 523 HD12 ILE 73 1HD1 ILE 73 95.527 -15.476 6.799 524 HD13 ILE 73 2HD1 ILE 73 96.978 -15.020 5.910 525 H ASN 74 H ASN 74 98.391 -20.536 7.560 526 HA ASN 74 HA ASN 74 100.848 -21.470 6.541 527 HB2 ASN 74 1HB ASN 74 98.102 -22.735 6.403 528 HB3 ASN 74 2HB ASN 74 99.622 -23.569 6.080 529 HD21 ASN 74 1HD2 ASN 74 101.265 -22.574 8.129 530 HD22 ASN 74 2HD2 ASN 74 100.630 -23.028 9.635 531 H ASP 75 H ASP 75 97.854 -20.499 4.892 532 HA ASP 75 HA ASP 75 98.688 -21.174 2.264 533 HB2 ASP 75 1HB ASP 75 96.812 -18.996 3.223 534 HB3 ASP 75 2HB ASP 75 96.986 -19.514 1.547 535 H TRP 76 H TRP 76 98.838 -19.145 0.638 536 HA TRP 76 HA TRP 76 101.276 -17.753 1.425 537 HB2 TRP 76 1HB TRP 76 101.411 -17.104 -0.909 538 HB3 TRP 76 2HB TRP 76 101.127 -18.829 -0.771 539 HD1 TRP 76 HD1 TRP 76 99.618 -15.622 -2.062 540 HE1 TRP 76 HE1 TRP 76 97.493 -16.162 -3.416 541 HE3 TRP 76 HE3 TRP 76 99.094 -20.577 -0.941 542 HZ2 TRP 76 HZ2 TRP 76 95.792 -18.403 -3.956 543 HZ3 TRP 76 HZ3 TRP 76 97.217 -21.887 -1.886 544 HH2 TRP 76 HH2 TRP 76 95.569 -20.811 -3.389 545 H ALA 77 H ALA 77 98.968 -16.908 2.845 546 HA ALA 77 HA ALA 77 98.479 -14.211 1.733 547 HB1 ALA 77 1HB ALA 77 96.538 -15.932 1.778 548 HB2 ALA 77 2HB ALA 77 96.244 -14.300 2.376 549 HB3 ALA 77 3HB ALA 77 96.518 -15.620 3.513 550 H SER 78 H SER 78 100.588 -15.047 3.747 551 HA SER 78 HA SER 78 99.501 -14.575 6.379 552 HB2 SER 78 1HB SER 78 102.315 -14.860 5.317 553 HB3 SER 78 2HB SER 78 101.972 -14.517 7.009 554 HG SER 78 HG SER 78 101.371 -16.789 5.454 555 H ILE 79 H ILE 79 100.158 -12.688 7.755 556 HA ILE 79 HA ILE 79 100.507 -10.273 6.097 557 HB ILE 79 HB ILE 79 98.507 -9.239 7.058 558 HG12 ILE 79 1HG1 ILE 79 97.906 -11.981 8.210 559 HG13 ILE 79 2HG1 ILE 79 98.494 -10.619 9.162 560 HG21 ILE 79 1HG2 ILE 79 97.555 -11.866 5.961 561 HG22 ILE 79 2HG2 ILE 79 98.550 -10.822 4.947 562 HG23 ILE 79 3HG2 ILE 79 97.012 -10.233 5.580 563 HD11 ILE 79 3HD1 ILE 79 96.140 -10.535 9.417 564 HD12 ILE 79 1HD1 ILE 79 95.860 -10.888 7.713 565 HD13 ILE 79 2HD1 ILE 79 96.490 -9.313 8.194 566 H TYR 80 H TYR 80 101.442 -8.586 7.123 567 HA TYR 80 HA TYR 80 101.547 -8.641 10.073 568 HB2 TYR 80 1HB TYR 80 103.850 -8.139 10.161 569 HB3 TYR 80 2HB TYR 80 103.690 -9.512 9.089 570 HD1 TYR 80 HD1 TYR 80 104.532 -5.950 9.363 571 HD2 TYR 80 HD2 TYR 80 104.165 -9.289 6.688 572 HE1 TYR 80 HE1 TYR 80 105.810 -4.707 7.640 573 HE2 TYR 80 HE2 TYR 80 105.443 -8.046 4.964 574 HH TYR 80 HH TYR 80 106.776 -6.245 4.609 575 H GLY 81 H GLY 81 101.530 -6.644 11.065 576 HA2 GLY 81 1HA GLY 81 101.285 -4.278 9.278 577 HA3 GLY 81 2HA GLY 81 100.164 -4.544 10.612 578 H VAL 82 H VAL 82 102.323 -2.443 9.984 579 HA VAL 82 HA VAL 82 103.693 -2.577 12.600 580 HB VAL 82 HB VAL 82 105.762 -1.744 11.520 581 HG11 VAL 82 1HG1 VAL 82 105.862 -4.053 11.887 582 HG12 VAL 82 2HG1 VAL 82 106.183 -3.933 10.159 583 HG13 VAL 82 3HG1 VAL 82 104.580 -4.394 10.725 584 HG21 VAL 82 3HG2 VAL 82 105.911 -2.018 9.013 585 HG22 VAL 82 1HG2 VAL 82 104.858 -0.703 9.536 586 HG23 VAL 82 2HG2 VAL 82 104.161 -2.229 8.994 587 H VAL 83 H VAL 83 104.359 -0.557 13.439 588 HA VAL 83 HA VAL 83 103.356 1.845 12.032 589 HB VAL 83 HB VAL 83 102.794 2.811 14.244 590 HG11 VAL 83 1HG1 VAL 83 101.370 0.169 14.111 591 HG12 VAL 83 2HG1 VAL 83 101.221 1.300 12.768 592 HG13 VAL 83 3HG1 VAL 83 100.707 1.780 14.386 593 HG21 VAL 83 3HG2 VAL 83 103.380 0.013 15.270 594 HG22 VAL 83 1HG2 VAL 83 102.735 1.350 16.224 595 HG23 VAL 83 2HG2 VAL 83 104.376 1.435 15.582 596 H GLY 84 H GLY 84 104.774 3.618 12.090 597 HA2 GLY 84 1HA GLY 84 107.242 3.332 13.646 598 HA3 GLY 84 2HA GLY 84 107.395 3.368 11.894 599 H VAL 85 H VAL 85 108.732 5.235 13.113 600 HA VAL 85 HA VAL 85 107.114 7.707 12.788 601 HB VAL 85 HB VAL 85 109.647 7.349 14.418 602 HG11 VAL 85 1HG1 VAL 85 107.717 9.679 14.195 603 HG12 VAL 85 2HG1 VAL 85 109.306 9.608 13.432 604 HG13 VAL 85 3HG1 VAL 85 109.171 9.625 15.190 605 HG21 VAL 85 3HG2 VAL 85 108.069 7.775 16.350 606 HG22 VAL 85 1HG2 VAL 85 107.835 6.221 15.551 607 HG23 VAL 85 2HG2 VAL 85 106.731 7.556 15.223 608 H GLY 86 H GLY 86 107.690 8.962 11.102 609 HA2 GLY 86 1HA GLY 86 110.367 8.500 9.882 610 HA3 GLY 86 2HA GLY 86 108.916 8.801 8.934 611 H TYR 87 H TYR 87 111.600 10.292 9.451 612 HA TYR 87 HA TYR 87 110.315 12.937 9.620 613 HB2 TYR 87 1HB TYR 87 111.948 13.801 11.132 614 HB3 TYR 87 2HB TYR 87 111.242 12.369 11.853 615 HD1 TYR 87 HD1 TYR 87 112.562 10.292 12.068 616 HD2 TYR 87 HD2 TYR 87 114.268 13.899 10.473 617 HE1 TYR 87 HE1 TYR 87 114.839 9.360 12.390 618 HE2 TYR 87 HE2 TYR 87 116.544 12.966 10.794 619 HH TYR 87 HH TYR 87 117.650 11.266 12.187 620 H GLY 88 H GLY 88 111.450 14.612 8.577 621 HA2 GLY 88 1HA GLY 88 113.533 13.685 6.675 622 HA3 GLY 88 2HA GLY 88 112.188 14.700 6.172 623 H LYS 89 H LYS 89 115.104 15.162 6.076 624 HA LYS 89 HA LYS 89 115.109 17.776 7.470 625 HB2 LYS 89 1HB LYS 89 117.495 15.991 6.911 626 HB3 LYS 89 2HB LYS 89 117.547 17.580 7.674 627 HG2 LYS 89 1HG LYS 89 115.983 16.671 9.449 628 HG3 LYS 89 2HG LYS 89 116.237 15.072 8.750 629 HD2 LYS 89 1HD LYS 89 118.454 16.877 9.764 630 HD3 LYS 89 2HD LYS 89 117.762 15.535 10.674 631 HE2 LYS 89 1HE LYS 89 118.395 14.008 8.781 632 HE3 LYS 89 2HE LYS 89 119.232 15.366 8.030 633 HZ1 LYS 89 3HZ LYS 89 120.470 13.719 9.629 634 HZ2 LYS 89 1HZ LYS 89 119.839 14.744 10.825 635 HZ3 LYS 89 2HZ LYS 89 120.847 15.375 9.611 636 H PHE 90 H PHE 90 115.514 19.511 6.176 637 HA PHE 90 HA PHE 90 115.897 18.925 3.301 638 HB2 PHE 90 1HB PHE 90 113.775 20.034 4.036 639 HB3 PHE 90 2HB PHE 90 114.734 21.396 4.579 640 HD1 PHE 90 HD1 PHE 90 113.649 19.451 1.622 641 HD2 PHE 90 HD2 PHE 90 115.600 23.013 3.023 642 HE1 PHE 90 HE1 PHE 90 113.558 20.403 -0.667 643 HE2 PHE 90 HE2 PHE 90 115.510 23.963 0.734 644 HZ PHE 90 HZ PHE 90 114.489 22.658 -1.111 645 H GLN 91 H GLN 91 117.629 19.654 2.266 646 HA GLN 91 HA GLN 91 119.398 21.591 3.635 647 HB2 GLN 91 1HB GLN 91 120.370 19.345 3.142 648 HB3 GLN 91 2HB GLN 91 120.087 19.637 1.425 649 HG2 GLN 91 1HG GLN 91 121.524 21.624 1.503 650 HG3 GLN 91 2HG GLN 91 121.779 21.392 3.230 651 HE21 GLN 91 1HE2 GLN 91 124.061 21.444 1.716 652 HE22 GLN 91 2HE2 GLN 91 124.706 19.884 1.530 653 H THR 92 H THR 92 119.989 23.457 2.599 654 HA THR 92 HA THR 92 118.595 24.022 0.049 655 HB THR 92 HB THR 92 118.725 26.378 0.683 656 HG1 THR 92 HG1 THR 92 120.525 26.570 1.856 657 HG21 THR 92 3HG2 THR 92 117.350 26.246 2.810 658 HG22 THR 92 1HG2 THR 92 117.653 24.508 2.809 659 HG23 THR 92 2HG2 THR 92 116.764 25.251 1.478 660 H THR 93 H THR 93 119.682 25.153 -1.594 661 HA THR 93 HA THR 93 122.460 24.515 -1.882 662 HB THR 93 HB THR 93 122.281 25.674 -4.033 663 HG1 THR 93 HG1 THR 93 119.671 26.341 -3.158 664 HG21 THR 93 3HG2 THR 93 120.624 24.242 -5.032 665 HG22 THR 93 1HG2 THR 93 119.758 24.088 -3.504 666 HG23 THR 93 2HG2 THR 93 121.348 23.350 -3.695 667 H GLU 94 H GLU 94 120.659 27.433 -1.044 668 HA GLU 94 HA GLU 94 123.151 28.988 -0.972 669 HB2 GLU 94 1HB GLU 94 121.122 29.932 -2.100 670 HB3 GLU 94 2HB GLU 94 120.310 29.937 -0.533 671 HG2 GLU 94 1HG GLU 94 122.139 31.364 0.374 672 HG3 GLU 94 2HG GLU 94 122.861 31.417 -1.228 673 H TYR 95 H TYR 95 123.934 29.916 0.899 674 HA TYR 95 HA TYR 95 122.668 29.038 3.431 675 HB2 TYR 95 1HB TYR 95 125.516 28.985 2.526 676 HB3 TYR 95 2HB TYR 95 125.164 29.215 4.227 677 HD1 TYR 95 HD1 TYR 95 124.377 26.956 1.346 678 HD2 TYR 95 HD2 TYR 95 124.820 27.351 5.600 679 HE1 TYR 95 HE1 TYR 95 124.097 24.506 1.602 680 HE2 TYR 95 HE2 TYR 95 124.538 24.900 5.858 681 HH TYR 95 HH TYR 95 124.479 22.759 3.095 682 HA PRO 96 HA PRO 96 123.119 33.642 3.574 683 HB2 PRO 96 1HB PRO 96 120.648 34.225 4.545 684 HB3 PRO 96 2HB PRO 96 120.967 34.010 2.812 685 HG2 PRO 96 1HG PRO 96 119.740 32.129 4.757 686 HG3 PRO 96 2HG PRO 96 119.333 32.427 3.059 687 HD2 PRO 96 1HD PRO 96 120.826 30.277 3.917 688 HD3 PRO 96 2HD PRO 96 120.913 30.956 2.279 689 H THR 97 H THR 97 121.779 31.333 5.876 690 HA THR 97 HA THR 97 122.861 32.935 8.120 691 HB THR 97 HB THR 97 120.777 30.743 8.251 692 HG1 THR 97 HG1 THR 97 119.750 32.341 7.232 693 HG21 THR 97 3HG2 THR 97 121.535 32.912 10.228 694 HG22 THR 97 1HG2 THR 97 122.112 31.248 10.316 695 HG23 THR 97 2HG2 THR 97 120.392 31.595 10.490 696 H TYR 98 H TYR 98 124.157 31.905 9.656 697 HA TYR 98 HA TYR 98 125.961 30.001 8.691 698 HB2 TYR 98 1HB TYR 98 125.289 30.692 11.553 699 HB3 TYR 98 2HB TYR 98 126.705 29.796 11.038 700 HD1 TYR 98 HD1 TYR 98 125.080 33.089 11.171 701 HD2 TYR 98 HD2 TYR 98 128.561 30.916 9.899 702 HE1 TYR 98 HE1 TYR 98 126.297 35.226 10.848 703 HE2 TYR 98 HE2 TYR 98 129.776 33.052 9.576 704 HH TYR 98 HH TYR 98 129.330 35.622 10.789 705 H LYS 99 H LYS 99 123.057 29.586 10.681 706 HA LYS 99 HA LYS 99 123.208 26.676 10.143 707 HB2 LYS 99 1HB LYS 99 122.336 28.043 12.701 708 HB3 LYS 99 2HB LYS 99 122.147 26.321 12.367 709 HG2 LYS 99 1HG LYS 99 124.556 26.047 12.153 710 HG3 LYS 99 2HG LYS 99 124.802 27.785 12.331 711 HD2 LYS 99 1HD LYS 99 125.247 26.768 14.474 712 HD3 LYS 99 2HD LYS 99 123.711 27.625 14.601 713 HE2 LYS 99 1HE LYS 99 122.458 25.658 14.604 714 HE3 LYS 99 2HE LYS 99 123.722 24.732 13.793 715 HZ1 LYS 99 3HZ LYS 99 125.034 24.753 15.765 716 HZ2 LYS 99 1HZ LYS 99 123.480 24.221 16.187 717 HZ3 LYS 99 2HZ LYS 99 123.959 25.810 16.548 718 H HIS 100 H HIS 100 121.540 26.043 8.947 719 HA HIS 100 HA HIS 100 118.867 27.069 9.507 720 HB2 HIS 100 1HB HIS 100 119.788 28.623 7.824 721 HB3 HIS 100 2HB HIS 100 120.106 27.265 6.761 722 HD1 HIS 100 HD1 HIS 100 117.091 28.751 8.581 723 HD2 HIS 100 HD2 HIS 100 118.044 26.870 4.983 724 HE1 HIS 100 HE1 HIS 100 114.963 28.705 7.212 725 H ASP 101 H ASP 101 117.485 25.414 9.489 726 HA ASP 101 HA ASP 101 117.535 23.393 7.452 727 HB2 ASP 101 1HB ASP 101 117.916 21.476 8.948 728 HB3 ASP 101 2HB ASP 101 119.329 22.525 8.876 729 H THR 102 H THR 102 115.727 21.916 7.624 730 HA THR 102 HA THR 102 113.643 22.760 9.551 731 HB THR 102 HB THR 102 113.180 22.038 6.647 732 HG1 THR 102 HG1 THR 102 113.438 24.069 6.254 733 HG21 THR 102 3HG2 THR 102 111.304 23.251 8.691 734 HG22 THR 102 1HG2 THR 102 111.360 21.527 8.321 735 HG23 THR 102 2HG2 THR 102 110.898 22.683 7.072 736 H SER 103 H SER 103 112.523 21.122 10.510 737 HA SER 103 HA SER 103 112.859 18.389 9.462 738 HB2 SER 103 1HB SER 103 114.608 18.761 11.187 739 HB3 SER 103 2HB SER 103 113.346 19.160 12.348 740 HG SER 103 HG SER 103 113.562 17.040 12.645 741 H ASP 104 H ASP 104 111.054 17.227 9.533 742 HA ASP 104 HA ASP 104 108.970 17.872 11.506 743 HB2 ASP 104 1HB ASP 104 108.523 17.578 8.524 744 HB3 ASP 104 2HB ASP 104 107.237 17.624 9.729 745 H TYR 105 H TYR 105 107.509 16.077 11.888 746 HA TYR 105 HA TYR 105 108.484 13.478 10.875 747 HB2 TYR 105 1HB TYR 105 108.398 12.518 13.062 748 HB3 TYR 105 2HB TYR 105 109.407 13.946 13.128 749 HD1 TYR 105 HD1 TYR 105 108.564 16.022 14.229 750 HD2 TYR 105 HD2 TYR 105 106.354 12.339 14.300 751 HE1 TYR 105 HE1 TYR 105 107.180 16.889 16.094 752 HE2 TYR 105 HE2 TYR 105 104.969 13.206 16.166 753 HH TYR 105 HH TYR 105 104.804 14.836 17.726 754 H GLY 106 H GLY 106 106.950 11.775 10.880 755 HA2 GLY 106 1HA GLY 106 104.152 12.508 11.402 756 HA3 GLY 106 2HA GLY 106 104.586 11.956 9.784 757 H PHE 107 H PHE 107 102.730 10.521 11.214 758 HA PHE 107 HA PHE 107 104.194 8.188 12.280 759 HB2 PHE 107 1HB PHE 107 101.258 8.903 12.372 760 HB3 PHE 107 2HB PHE 107 101.954 7.439 13.039 761 HD1 PHE 107 HD1 PHE 107 103.482 7.566 15.007 762 HD2 PHE 107 HD2 PHE 107 101.413 11.013 13.496 763 HE1 PHE 107 HE1 PHE 107 103.933 8.766 17.128 764 HE2 PHE 107 HE2 PHE 107 101.865 12.215 15.619 765 HZ PHE 107 HZ PHE 107 103.125 11.089 17.435 766 H SER 108 H SER 108 104.436 6.421 11.034 767 HA SER 108 HA SER 108 102.844 6.290 8.528 768 HB2 SER 108 1HB SER 108 105.555 5.099 9.160 769 HB3 SER 108 2HB SER 108 104.699 4.968 7.627 770 HG SER 108 HG SER 108 105.492 7.383 8.907 771 H TYR 109 H TYR 109 101.779 4.474 7.977 772 HA TYR 109 HA TYR 109 101.927 2.145 9.807 773 HB2 TYR 109 1HB TYR 109 99.492 3.231 8.375 774 HB3 TYR 109 2HB TYR 109 99.535 1.782 9.362 775 HD1 TYR 109 HD2 TYR 109 99.569 5.458 9.363 776 HD2 TYR 109 HD1 TYR 109 99.651 1.923 11.801 777 HE1 TYR 109 HE2 TYR 109 99.064 6.828 11.367 778 HE2 TYR 109 HE1 TYR 109 99.151 3.294 13.807 779 HH TYR 109 HH TYR 109 98.526 5.319 14.537 780 H GLY 110 H GLY 110 102.127 0.152 8.786 781 HA2 GLY 110 1HA GLY 110 101.883 0.105 5.844 782 HA3 GLY 110 2HA GLY 110 103.410 -0.366 6.583 783 H ALA 111 H ALA 111 101.618 -1.947 4.938 784 HA ALA 111 HA ALA 111 101.492 -4.262 6.732 785 HB1 ALA 111 1HB ALA 111 99.183 -3.004 6.465 786 HB2 ALA 111 2HB ALA 111 99.253 -4.766 6.405 787 HB3 ALA 111 3HB ALA 111 99.154 -3.836 4.911 788 H GLY 112 H GLY 112 101.700 -6.247 5.636 789 HA2 GLY 112 1HA GLY 112 102.024 -6.155 2.716 790 HA3 GLY 112 2HA GLY 112 103.433 -6.594 3.672 791 H LEU 113 H LEU 113 102.291 -8.227 1.728 792 HA LEU 113 HA LEU 113 101.075 -10.429 3.280 793 HB2 LEU 113 1HB LEU 113 101.163 -10.066 0.273 794 HB3 LEU 113 2HB LEU 113 100.302 -11.327 1.151 795 HG LEU 113 HG LEU 113 99.744 -8.355 1.400 796 HD11 LEU 113 1HD1 LEU 113 99.019 -9.057 -0.772 797 HD12 LEU 113 2HD1 LEU 113 97.581 -9.054 0.247 798 HD13 LEU 113 3HD1 LEU 113 98.383 -10.576 -0.142 799 HD21 LEU 113 3HD2 LEU 113 99.144 -9.478 3.439 800 HD22 LEU 113 1HD2 LEU 113 98.442 -10.836 2.556 801 HD23 LEU 113 2HD2 LEU 113 97.649 -9.260 2.529 802 H GLN 114 H GLN 114 102.059 -12.577 3.065 803 HA GLN 114 HA GLN 114 104.864 -12.417 2.084 804 HB2 GLN 114 1HB GLN 114 103.867 -13.618 4.671 805 HB3 GLN 114 2HB GLN 114 105.500 -13.817 4.039 806 HG2 GLN 114 1HG GLN 114 105.860 -11.407 4.117 807 HG3 GLN 114 2HG GLN 114 104.201 -11.148 4.643 808 HE21 GLN 114 1HE2 GLN 114 106.424 -10.264 6.218 809 HE22 GLN 114 2HE2 GLN 114 106.462 -11.178 7.647 810 H PHE 115 H PHE 115 105.613 -14.102 0.963 811 HA PHE 115 HA PHE 115 104.349 -16.731 1.326 812 HB2 PHE 115 1HB PHE 115 103.392 -15.855 -0.751 813 HB3 PHE 115 2HB PHE 115 104.994 -15.450 -1.341 814 HD1 PHE 115 HD1 PHE 115 103.033 -18.395 -0.090 815 HD2 PHE 115 HD2 PHE 115 106.076 -16.950 -2.754 816 HE1 PHE 115 HE1 PHE 115 103.213 -20.650 -1.107 817 HE2 PHE 115 HE2 PHE 115 106.260 -19.206 -3.768 818 HZ PHE 115 HZ PHE 115 104.829 -21.057 -2.945 819 H ASN 116 H ASN 116 106.009 -17.932 2.142 820 HA ASN 116 HA ASN 116 108.743 -17.307 1.172 821 HB2 ASN 116 1HB ASN 116 107.922 -17.715 4.046 822 HB3 ASN 116 2HB ASN 116 109.552 -17.398 3.464 823 HD21 ASN 116 1HD2 ASN 116 108.162 -15.661 5.329 824 HD22 ASN 116 2HD2 ASN 116 107.918 -14.171 4.551 825 HA PRO 117 HA PRO 117 109.438 -21.673 2.030 826 HB2 PRO 117 1HB PRO 117 111.060 -22.048 -0.239 827 HB3 PRO 117 2HB PRO 117 109.349 -22.488 -0.114 828 HG2 PRO 117 1HG PRO 117 110.452 -20.538 -1.791 829 HG3 PRO 117 2HG PRO 117 108.737 -20.804 -1.450 830 HD2 PRO 117 1HD PRO 117 110.598 -18.794 -0.236 831 HD3 PRO 117 2HD PRO 117 108.860 -18.648 -0.608 832 H MET 118 H MET 118 111.781 -22.707 2.152 833 HA MET 118 HA MET 118 113.426 -21.050 3.705 834 HB2 MET 118 1HB MET 118 114.120 -23.563 2.168 835 HB3 MET 118 2HB MET 118 115.149 -22.823 3.393 836 HG2 MET 118 1HG MET 118 113.241 -23.028 5.021 837 HG3 MET 118 2HG MET 118 112.365 -23.946 3.798 838 HE1 MET 118 3HE MET 118 115.028 -25.672 2.466 839 HE2 MET 118 1HE MET 118 113.268 -25.808 2.561 840 HE3 MET 118 2HE MET 118 114.291 -27.087 3.211 841 H GLU 119 H GLU 119 115.701 -20.456 3.207 842 HA GLU 119 HA GLU 119 117.344 -19.454 1.982 843 HB2 GLU 119 1HB GLU 119 116.025 -20.874 -0.345 844 HB3 GLU 119 2HB GLU 119 117.617 -20.122 -0.376 845 HG2 GLU 119 1HG GLU 119 118.332 -21.604 1.486 846 HG3 GLU 119 2HG GLU 119 116.765 -22.401 1.423 847 H ASN 120 H ASN 120 117.507 -18.199 -0.365 848 HA ASN 120 HA ASN 120 116.402 -15.700 0.198 849 HB2 ASN 120 1HB ASN 120 117.582 -16.738 -2.377 850 HB3 ASN 120 2HB ASN 120 117.312 -15.040 -1.987 851 HD21 ASN 120 1HD2 ASN 120 118.165 -14.880 0.664 852 HD22 ASN 120 2HD2 ASN 120 119.808 -15.293 0.768 853 H VAL 121 H VAL 121 114.780 -18.300 -1.240 854 HA VAL 121 HA VAL 121 113.445 -16.822 -3.304 855 HB VAL 121 HB VAL 121 112.142 -18.923 -3.620 856 HG11 VAL 121 1HG1 VAL 121 114.254 -20.302 -4.152 857 HG12 VAL 121 2HG1 VAL 121 115.158 -18.930 -3.510 858 HG13 VAL 121 3HG1 VAL 121 114.114 -18.718 -4.914 859 HG21 VAL 121 3HG2 VAL 121 112.465 -19.513 -1.081 860 HG22 VAL 121 1HG2 VAL 121 113.996 -20.201 -1.625 861 HG23 VAL 121 2HG2 VAL 121 112.476 -20.813 -2.274 862 H ALA 122 H ALA 122 112.967 -16.110 -0.277 863 HA ALA 122 HA ALA 122 110.016 -16.353 -0.325 864 HB1 ALA 122 1HB ALA 122 110.410 -15.422 2.096 865 HB2 ALA 122 2HB ALA 122 112.066 -15.957 1.836 866 HB3 ALA 122 3HB ALA 122 110.747 -17.122 1.761 867 H LEU 123 H LEU 123 108.721 -14.419 -0.188 868 HA LEU 123 HA LEU 123 110.155 -11.883 -0.295 869 HB2 LEU 123 1HB LEU 123 108.836 -11.253 -2.412 870 HB3 LEU 123 2HB LEU 123 110.303 -12.190 -2.573 871 HG LEU 123 HG LEU 123 108.306 -12.876 -3.999 872 HD11 LEU 123 1HD1 LEU 123 109.183 -15.202 -2.343 873 HD12 LEU 123 2HD1 LEU 123 110.385 -14.287 -3.253 874 HD13 LEU 123 3HD1 LEU 123 109.040 -15.058 -4.094 875 HD21 LEU 123 3HD2 LEU 123 106.518 -14.107 -3.089 876 HD22 LEU 123 1HD2 LEU 123 106.687 -12.729 -2.001 877 HD23 LEU 123 2HD2 LEU 123 107.326 -14.304 -1.535 878 H ASP 124 H ASP 124 108.856 -10.024 -0.184 879 HA ASP 124 HA ASP 124 106.056 -10.439 0.632 880 HB2 ASP 124 1HB ASP 124 107.398 -10.374 2.690 881 HB3 ASP 124 2HB ASP 124 108.103 -8.840 2.189 882 H PHE 125 H PHE 125 104.690 -8.711 0.236 883 HA PHE 125 HA PHE 125 105.874 -6.314 -1.055 884 HB2 PHE 125 1HB PHE 125 103.293 -7.711 -1.785 885 HB3 PHE 125 2HB PHE 125 103.845 -6.188 -2.458 886 HD1 PHE 125 HD1 PHE 125 104.320 -9.832 -2.398 887 HD2 PHE 125 HD2 PHE 125 105.689 -6.119 -4.066 888 HE1 PHE 125 HE1 PHE 125 105.560 -11.077 -4.148 889 HE2 PHE 125 HE2 PHE 125 106.930 -7.364 -5.817 890 HZ PHE 125 HZ PHE 125 106.865 -9.842 -5.858 891 H SER 126 H SER 126 105.271 -4.409 -0.088 892 HA SER 126 HA SER 126 102.875 -4.422 1.620 893 HB2 SER 126 1HB SER 126 104.029 -3.595 3.551 894 HB3 SER 126 2HB SER 126 104.854 -5.057 3.024 895 HG SER 126 HG SER 126 106.192 -3.141 3.506 896 H TYR 127 H TYR 127 102.065 -2.341 2.156 897 HA TYR 127 HA TYR 127 103.193 -0.126 0.542 898 HB2 TYR 127 1HB TYR 127 100.979 0.686 0.144 899 HB3 TYR 127 2HB TYR 127 101.034 -0.997 -0.334 900 HD1 TYR 127 HD1 TYR 127 99.917 -2.732 1.066 901 HD2 TYR 127 HD2 TYR 127 99.572 1.464 1.921 902 HE1 TYR 127 HE1 TYR 127 97.961 -3.188 2.521 903 HE2 TYR 127 HE2 TYR 127 97.615 1.006 3.377 904 HH TYR 127 HH TYR 127 96.760 -2.170 4.357 905 H GLU 128 H GLU 128 103.081 1.951 1.466 906 HA GLU 128 HA GLU 128 102.683 1.985 4.402 907 HB2 GLU 128 1HB GLU 128 105.092 1.944 3.700 908 HB3 GLU 128 2HB GLU 128 104.820 3.463 2.850 909 HG2 GLU 128 1HG GLU 128 104.072 4.489 4.991 910 HG3 GLU 128 2HG GLU 128 104.451 2.985 5.819 911 H GLN 129 H GLN 129 101.603 3.714 5.224 912 HA GLN 129 HA GLN 129 100.797 5.853 3.339 913 HB2 GLN 129 1HB GLN 129 98.953 4.257 3.913 914 HB3 GLN 129 2HB GLN 129 99.142 4.720 5.605 915 HG2 GLN 129 1HG GLN 129 97.395 6.104 4.776 916 HG3 GLN 129 2HG GLN 129 98.820 7.139 4.821 917 HE21 GLN 129 1HE2 GLN 129 99.159 8.296 2.925 918 HE22 GLN 129 2HE2 GLN 129 98.625 7.820 1.386 919 H SER 130 H SER 130 101.328 7.829 3.947 920 HA SER 130 HA SER 130 101.780 8.397 6.818 921 HB2 SER 130 1HB SER 130 103.066 9.865 4.509 922 HB3 SER 130 2HB SER 130 103.435 10.021 6.221 923 HG SER 130 HG SER 130 104.933 8.620 5.549 924 H ARG 131 H ARG 131 101.030 10.446 7.553 925 HA ARG 131 HA ARG 131 98.423 10.889 6.317 926 HB2 ARG 131 1HB ARG 131 99.535 11.641 9.031 927 HB3 ARG 131 2HB ARG 131 97.896 12.005 8.493 928 HG2 ARG 131 1HG ARG 131 97.525 9.563 8.111 929 HG3 ARG 131 2HG ARG 131 99.122 9.251 8.794 930 HD2 ARG 131 1HD ARG 131 98.393 10.442 10.880 931 HD3 ARG 131 2HD ARG 131 96.774 10.550 10.198 932 HE ARG 131 HE ARG 131 97.966 8.248 11.405 933 HH11 ARG 131 1HH1 ARG 131 95.714 9.188 8.882 934 HH12 ARG 131 2HH1 ARG 131 94.839 7.696 8.968 935 HH21 ARG 131 1HH2 ARG 131 96.796 6.347 11.473 936 HH22 ARG 131 2HH2 ARG 131 95.446 6.108 10.413 937 H ILE 132 H ILE 132 97.551 13.156 6.168 938 HA ILE 132 HA ILE 132 99.599 14.031 4.314 939 HB ILE 132 HB ILE 132 97.441 13.312 3.465 940 HG12 ILE 132 1HG1 ILE 132 97.530 16.266 2.939 941 HG13 ILE 132 2HG1 ILE 132 98.897 15.259 2.465 942 HG21 ILE 132 1HG2 ILE 132 96.238 14.433 5.554 943 HG22 ILE 132 2HG2 ILE 132 95.404 14.233 4.017 944 HG23 ILE 132 3HG2 ILE 132 96.097 15.795 4.447 945 HD11 ILE 132 3HD1 ILE 132 96.091 14.457 1.724 946 HD12 ILE 132 1HD1 ILE 132 97.611 14.002 0.952 947 HD13 ILE 132 2HD1 ILE 132 96.971 15.633 0.746 948 H ARG 133 H ARG 133 100.860 15.287 5.598 949 HA ARG 133 HA ARG 133 100.046 18.069 5.930 950 HB2 ARG 133 1HB ARG 133 102.772 16.730 5.986 951 HB3 ARG 133 2HB ARG 133 102.471 18.431 6.338 952 HG2 ARG 133 1HG ARG 133 100.989 17.783 8.205 953 HG3 ARG 133 2HG ARG 133 101.315 16.083 7.868 954 HD2 ARG 133 1HD ARG 133 102.785 16.749 9.655 955 HD3 ARG 133 2HD ARG 133 103.765 16.570 8.204 956 HE ARG 133 HE ARG 133 104.171 18.850 8.243 957 HH11 ARG 133 1HH1 ARG 133 101.520 18.161 10.439 958 HH12 ARG 133 2HH1 ARG 133 101.510 19.767 11.089 959 HH21 ARG 133 1HH2 ARG 133 104.111 20.900 9.119 960 HH22 ARG 133 2HH2 ARG 133 102.958 21.297 10.350 961 H SER 134 H SER 134 101.945 19.507 4.617 962 HA SER 134 HA SER 134 100.940 19.627 2.031 963 HB2 SER 134 1HB SER 134 102.202 21.450 3.132 964 HB3 SER 134 2HB SER 134 103.684 20.522 2.932 965 HG SER 134 HG SER 134 103.724 21.088 0.902 966 H VAL 135 H VAL 135 103.394 17.428 3.222 967 HA VAL 135 HA VAL 135 103.562 16.337 0.470 968 HB VAL 135 HB VAL 135 105.472 15.865 2.776 969 HG11 VAL 135 1HG1 VAL 135 106.872 14.868 0.932 970 HG12 VAL 135 2HG1 VAL 135 105.471 15.006 -0.131 971 HG13 VAL 135 3HG1 VAL 135 105.400 13.959 1.286 972 HG21 VAL 135 3HG2 VAL 135 107.054 17.210 1.411 973 HG22 VAL 135 1HG2 VAL 135 105.656 18.161 1.916 974 HG23 VAL 135 2HG2 VAL 135 105.757 17.547 0.265 975 H ASP 136 H ASP 136 102.535 14.456 0.141 976 HA ASP 136 HA ASP 136 101.708 12.850 2.492 977 HB2 ASP 136 1HB ASP 136 99.854 13.914 1.174 978 HB3 ASP 136 2HB ASP 136 100.374 12.975 -0.222 979 H VAL 137 H VAL 137 102.050 10.568 2.414 980 HA VAL 137 HA VAL 137 104.035 9.842 0.311 981 HB VAL 137 HB VAL 137 103.790 8.567 3.034 982 HG11 VAL 137 1HG1 VAL 137 106.014 7.699 2.493 983 HG12 VAL 137 2HG1 VAL 137 105.989 8.554 0.952 984 HG13 VAL 137 3HG1 VAL 137 104.858 7.233 1.248 985 HG21 VAL 137 3HG2 VAL 137 105.807 9.895 3.626 986 HG22 VAL 137 1HG2 VAL 137 104.422 10.938 3.308 987 HG23 VAL 137 2HG2 VAL 137 105.683 10.749 2.090 988 H GLY 138 H GLY 138 103.421 8.395 -1.133 989 HA2 GLY 138 1HA GLY 138 101.834 6.077 -0.180 990 HA3 GLY 138 2HA GLY 138 101.663 6.733 -1.812 991 H THR 139 H THR 139 103.307 4.426 0.051 992 HA THR 139 HA THR 139 105.466 4.219 -1.975 993 HB THR 139 HB THR 139 105.749 3.632 0.978 994 HG1 THR 139 HG1 THR 139 106.692 5.578 1.135 995 HG21 THR 139 3HG2 THR 139 107.364 2.340 -0.095 996 HG22 THR 139 1HG2 THR 139 108.236 3.853 0.146 997 HG23 THR 139 2HG2 THR 139 107.535 3.481 -1.429 998 H TRP 140 H TRP 140 105.731 2.272 -2.880 999 HA TRP 140 HA TRP 140 104.586 -0.091 -1.486 1000 HB2 TRP 140 1HB TRP 140 104.336 -1.077 -3.809 1001 HB3 TRP 140 2HB TRP 140 103.184 0.157 -3.352 1002 HD1 TRP 140 HD1 TRP 140 106.200 -0.453 -5.625 1003 HE1 TRP 140 HE1 TRP 140 106.199 1.335 -7.481 1004 HE3 TRP 140 HE3 TRP 140 102.406 2.534 -3.968 1005 HZ2 TRP 140 HZ2 TRP 140 104.769 3.721 -8.175 1006 HZ3 TRP 140 HZ3 TRP 140 101.745 4.551 -5.239 1007 HH2 TRP 140 HH2 TRP 140 102.920 5.150 -7.338 1008 H ILE 141 H ILE 141 105.958 -1.807 -1.224 1009 HA ILE 141 HA ILE 141 108.666 -1.521 -2.386 1010 HB ILE 141 HB ILE 141 108.621 -0.588 -0.103 1011 HG12 ILE 141 1HG1 ILE 141 110.032 -3.254 0.001 1012 HG13 ILE 141 2HG1 ILE 141 110.583 -1.961 -1.066 1013 HG21 ILE 141 1HG2 ILE 141 106.765 -1.900 0.806 1014 HG22 ILE 141 2HG2 ILE 141 108.202 -2.082 1.812 1015 HG23 ILE 141 3HG2 ILE 141 107.736 -3.370 0.697 1016 HD11 ILE 141 3HD1 ILE 141 110.557 -2.058 1.931 1017 HD12 ILE 141 1HD1 ILE 141 110.423 -0.495 1.123 1018 HD13 ILE 141 2HD1 ILE 141 111.834 -1.515 0.841 1019 H ALA 142 H ALA 142 109.727 -3.389 -2.871 1020 HA ALA 142 HA ALA 142 108.391 -5.950 -2.200 1021 HB1 ALA 142 1HB ALA 142 108.313 -5.181 -4.675 1022 HB2 ALA 142 2HB ALA 142 108.876 -6.818 -4.336 1023 HB3 ALA 142 3HB ALA 142 110.040 -5.540 -4.689 1024 H GLY 143 H GLY 143 109.681 -7.406 -1.192 1025 HA2 GLY 143 1HA GLY 143 112.604 -6.926 -1.202 1026 HA3 GLY 143 2HA GLY 143 111.734 -7.117 0.314 1027 H VAL 144 H VAL 144 113.893 -8.713 -0.707 1028 HA VAL 144 HA VAL 144 112.572 -11.353 -0.840 1029 HB VAL 144 HB VAL 144 113.466 -10.741 -3.051 1030 HG11 VAL 144 1HG1 VAL 144 116.186 -10.639 -1.730 1031 HG12 VAL 144 2HG1 VAL 144 115.242 -9.197 -2.100 1032 HG13 VAL 144 3HG1 VAL 144 115.787 -10.253 -3.404 1033 HG21 VAL 144 3HG2 VAL 144 115.052 -12.676 -3.306 1034 HG22 VAL 144 1HG2 VAL 144 113.553 -13.087 -2.473 1035 HG23 VAL 144 2HG2 VAL 144 115.038 -12.852 -1.550 1036 H GLY 145 H GLY 145 113.552 -12.975 0.433 1037 HA2 GLY 145 1HA GLY 145 115.975 -12.338 1.911 1038 HA3 GLY 145 2HA GLY 145 114.503 -12.347 2.869 1039 H TYR 146 H TYR 146 116.233 -13.995 3.763 1040 HA TYR 146 HA TYR 146 115.231 -16.655 3.033 1041 HB2 TYR 146 1HB TYR 146 117.422 -17.633 3.073 1042 HB3 TYR 146 2HB TYR 146 117.423 -16.327 1.911 1043 HD1 TYR 146 HD1 TYR 146 118.593 -14.187 2.433 1044 HD2 TYR 146 HD2 TYR 146 118.796 -17.598 5.037 1045 HE1 TYR 146 HE1 TYR 146 120.556 -13.196 3.580 1046 HE2 TYR 146 HE2 TYR 146 120.759 -16.606 6.183 1047 HH TYR 146 HH TYR 146 121.572 -13.887 6.412 1048 H ARG 147 H ARG 147 115.998 -18.286 4.759 1049 HA ARG 147 HA ARG 147 115.764 -17.014 7.427 1050 HB2 ARG 147 1HB ARG 147 114.695 -19.683 6.474 1051 HB3 ARG 147 2HB ARG 147 114.600 -19.082 8.131 1052 HG2 ARG 147 1HG ARG 147 113.329 -17.103 7.299 1053 HG3 ARG 147 2HG ARG 147 113.343 -17.809 5.683 1054 HD2 ARG 147 1HD ARG 147 112.243 -19.858 6.654 1055 HD3 ARG 147 2HD ARG 147 112.076 -18.979 8.172 1056 HE ARG 147 HE ARG 147 110.993 -17.437 6.058 1057 HH11 ARG 147 1HH1 ARG 147 110.262 -20.325 7.918 1058 HH12 ARG 147 2HH1 ARG 147 108.553 -20.157 7.691 1059 HH21 ARG 147 1HH2 ARG 147 108.783 -17.276 5.802 1060 HH22 ARG 147 2HH2 ARG 147 107.727 -18.453 6.509 1061 H PHE 148 H PHE 148 116.946 -17.935 9.137 1062 HA PHE 148 HA PHE 148 119.468 -19.079 8.349 1063 HB2 PHE 148 1HB PHE 148 119.241 -17.432 10.185 1064 HB3 PHE 148 2HB PHE 148 118.329 -18.612 11.106 1065 HD1 PHE 148 HD2 PHE 148 121.647 -17.641 9.858 1066 HD2 PHE 148 HD1 PHE 148 119.432 -20.546 12.119 1067 HE1 PHE 148 HE2 PHE 148 123.767 -18.543 10.775 1068 HE2 PHE 148 HE1 PHE 148 121.554 -21.447 13.038 1069 HZ PHE 148 HZ PHE 148 123.721 -20.446 12.365 Start of MODEL 13 1 H1 ALA 1 3H ALA 1 113.200 -18.461 17.135 2 H2 ALA 1 2H ALA 1 114.505 -18.079 18.154 3 H3 ALA 1 HT3 ALA 1 113.272 -19.114 18.700 4 HA ALA 1 HA ALA 1 115.448 -20.181 17.979 5 HB1 ALA 1 2HB ALA 1 112.708 -20.961 16.976 6 HB2 ALA 1 3HB ALA 1 113.584 -21.598 18.368 7 HB3 ALA 1 1HB ALA 1 114.113 -21.998 16.734 8 H THR 2 H THR 2 113.230 -19.056 15.431 9 HA THR 2 HA THR 2 115.510 -19.059 13.532 10 HB THR 2 HB THR 2 113.932 -19.569 11.743 11 HG1 THR 2 HG1 THR 2 111.919 -19.197 12.095 12 HG21 THR 2 3HG2 THR 2 114.990 -21.389 13.231 13 HG22 THR 2 1HG2 THR 2 113.611 -21.862 12.237 14 HG23 THR 2 2HG2 THR 2 113.391 -21.546 13.959 15 H SER 3 H SER 3 115.237 -17.489 11.748 16 HA SER 3 HA SER 3 113.454 -15.255 12.217 17 HB2 SER 3 1HB SER 3 115.171 -13.585 12.487 18 HB3 SER 3 2HB SER 3 115.430 -14.830 13.704 19 HG SER 3 HG SER 3 116.846 -15.772 11.945 20 H THR 4 H THR 4 113.652 -13.596 10.500 21 HA THR 4 HA THR 4 114.776 -14.688 7.987 22 HB THR 4 HB THR 4 112.128 -13.250 8.215 23 HG1 THR 4 HG1 THR 4 112.517 -16.011 7.776 24 HG21 THR 4 3HG2 THR 4 111.816 -13.861 5.944 25 HG22 THR 4 1HG2 THR 4 113.155 -15.007 5.987 26 HG23 THR 4 2HG2 THR 4 113.475 -13.274 6.031 27 H VAL 5 H VAL 5 115.668 -13.201 6.597 28 HA VAL 5 HA VAL 5 115.585 -10.349 7.422 29 HB VAL 5 HB VAL 5 117.984 -11.814 6.289 30 HG11 VAL 5 1HG1 VAL 5 117.987 -9.489 5.626 31 HG12 VAL 5 2HG1 VAL 5 119.137 -9.668 6.953 32 HG13 VAL 5 3HG1 VAL 5 117.542 -8.976 7.254 33 HG21 VAL 5 3HG2 VAL 5 117.525 -10.724 9.084 34 HG22 VAL 5 1HG2 VAL 5 118.960 -11.574 8.511 35 HG23 VAL 5 2HG2 VAL 5 117.425 -12.432 8.655 36 H THR 6 H THR 6 114.925 -8.991 5.850 37 HA THR 6 HA THR 6 115.058 -9.932 3.046 38 HB THR 6 HB THR 6 112.773 -10.244 3.899 39 HG1 THR 6 HG1 THR 6 112.741 -9.758 1.813 40 HG21 THR 6 3HG2 THR 6 111.438 -8.195 4.450 41 HG22 THR 6 1HG2 THR 6 112.940 -7.270 4.451 42 HG23 THR 6 2HG2 THR 6 112.695 -8.554 5.634 43 H GLY 7 H GLY 7 115.538 -8.421 1.514 44 HA2 GLY 7 1HA GLY 7 115.730 -5.592 2.376 45 HA3 GLY 7 2HA GLY 7 117.027 -6.348 1.445 46 H GLY 8 H GLY 8 115.017 -4.114 0.808 47 HA2 GLY 8 1HA GLY 8 114.333 -5.060 -1.855 48 HA3 GLY 8 2HA GLY 8 112.952 -4.783 -0.804 49 H TYR 9 H TYR 9 112.588 -3.312 -2.726 50 HA TYR 9 HA TYR 9 113.766 -0.650 -2.202 51 HB2 TYR 9 1HB TYR 9 114.778 -1.645 -4.234 52 HB3 TYR 9 2HB TYR 9 113.175 -1.842 -4.917 53 HD1 TYR 9 HD1 TYR 9 115.763 0.602 -3.916 54 HD2 TYR 9 HD2 TYR 9 111.975 0.028 -5.860 55 HE1 TYR 9 HE1 TYR 9 115.889 2.900 -4.842 56 HE2 TYR 9 HE2 TYR 9 112.103 2.326 -6.788 57 HH TYR 9 HH TYR 9 114.713 4.034 -7.109 58 H ALA 10 H ALA 10 112.338 1.028 -2.288 59 HA ALA 10 HA ALA 10 109.522 0.388 -2.933 60 HB1 ALA 10 1HB ALA 10 110.233 0.610 -0.415 61 HB2 ALA 10 2HB ALA 10 108.758 1.393 -0.984 62 HB3 ALA 10 3HB ALA 10 110.233 2.338 -0.772 63 H GLN 11 H GLN 11 108.306 2.043 -3.822 64 HA GLN 11 HA GLN 11 109.781 4.497 -4.592 65 HB2 GLN 11 1HB GLN 11 108.514 4.507 -6.686 66 HB3 GLN 11 2HB GLN 11 109.430 3.010 -6.530 67 HG2 GLN 11 1HG GLN 11 107.392 1.865 -5.700 68 HG3 GLN 11 2HG GLN 11 106.482 3.362 -5.903 69 HE21 GLN 11 1HE2 GLN 11 105.796 3.930 -8.033 70 HE22 GLN 11 2HE2 GLN 11 106.090 2.951 -9.388 71 H SER 12 H SER 12 108.793 6.397 -4.183 72 HA SER 12 HA SER 12 106.094 6.281 -2.960 73 HB2 SER 12 1HB SER 12 107.930 6.939 -1.407 74 HB3 SER 12 2HB SER 12 108.302 8.296 -2.467 75 HG SER 12 HG SER 12 106.230 9.096 -2.080 76 H ASP 13 H ASP 13 104.585 7.819 -3.559 77 HA ASP 13 HA ASP 13 104.889 8.705 -6.283 78 HB2 ASP 13 1HB ASP 13 102.618 9.039 -4.312 79 HB3 ASP 13 2HB ASP 13 102.538 9.468 -6.018 80 H ALA 14 H ALA 14 105.046 10.713 -7.074 81 HA ALA 14 HA ALA 14 105.796 12.821 -5.153 82 HB1 ALA 14 1HB ALA 14 106.701 12.095 -7.903 83 HB2 ALA 14 2HB ALA 14 107.650 12.552 -6.489 84 HB3 ALA 14 3HB ALA 14 106.789 13.786 -7.408 85 H GLN 15 H GLN 15 104.926 14.825 -5.245 86 HA GLN 15 HA GLN 15 102.458 15.160 -6.774 87 HB2 GLN 15 1HB GLN 15 102.586 15.781 -4.352 88 HB3 GLN 15 2HB GLN 15 103.756 17.030 -4.774 89 HG2 GLN 15 1HG GLN 15 102.119 18.119 -6.230 90 HG3 GLN 15 2HG GLN 15 100.949 16.843 -5.905 91 HE21 GLN 15 1HE2 GLN 15 100.100 19.379 -5.309 92 HE22 GLN 15 2HE2 GLN 15 100.106 19.646 -3.633 93 H GLY 16 H GLY 16 102.126 17.102 -8.090 94 HA2 GLY 16 1HA GLY 16 103.964 17.231 -10.140 95 HA3 GLY 16 2HA GLY 16 102.741 18.459 -9.848 96 H GLN 17 H GLN 17 105.369 18.863 -10.903 97 HA GLN 17 HA GLN 17 107.189 20.231 -10.721 98 HB2 GLN 17 1HB GLN 17 105.390 21.697 -9.530 99 HB3 GLN 17 2HB GLN 17 106.257 21.249 -8.060 100 HG2 GLN 17 1HG GLN 17 107.284 23.264 -8.767 101 HG3 GLN 17 2HG GLN 17 108.390 21.998 -9.294 102 HE21 GLN 17 1HE2 GLN 17 109.051 22.215 -11.430 103 HE22 GLN 17 2HE2 GLN 17 108.159 22.988 -12.651 104 H MET 18 H MET 18 106.952 17.515 -9.264 105 HA MET 18 HA MET 18 109.612 17.709 -8.086 106 HB2 MET 18 1HB MET 18 107.256 16.583 -6.553 107 HB3 MET 18 2HB MET 18 108.944 16.424 -6.072 108 HG2 MET 18 1HG MET 18 109.113 18.937 -6.088 109 HG3 MET 18 2HG MET 18 107.372 18.999 -6.357 110 HE1 MET 18 3HE MET 18 105.676 17.686 -3.421 111 HE2 MET 18 1HE MET 18 106.462 16.310 -4.206 112 HE3 MET 18 2HE MET 18 105.815 17.630 -5.177 113 H ASN 19 H ASN 19 110.495 15.490 -7.633 114 HA ASN 19 HA ASN 19 109.484 13.586 -9.660 115 HB2 ASN 19 1HB ASN 19 112.246 13.925 -8.470 116 HB3 ASN 19 2HB ASN 19 111.790 12.652 -9.600 117 HD21 ASN 19 1HD2 ASN 19 113.799 14.687 -10.163 118 HD22 ASN 19 2HD2 ASN 19 113.224 15.613 -11.465 119 H LYS 20 H LYS 20 109.573 11.314 -9.159 120 HA LYS 20 HA LYS 20 108.528 10.651 -6.621 121 HB2 LYS 20 1HB LYS 20 109.800 8.839 -8.687 122 HB3 LYS 20 2HB LYS 20 108.789 8.314 -7.340 123 HG2 LYS 20 1HG LYS 20 106.969 9.829 -8.256 124 HG3 LYS 20 2HG LYS 20 107.970 10.033 -9.693 125 HD2 LYS 20 1HD LYS 20 107.029 7.357 -8.621 126 HD3 LYS 20 2HD LYS 20 106.267 8.224 -9.954 127 HE2 LYS 20 1HE LYS 20 108.425 8.161 -11.192 128 HE3 LYS 20 2HE LYS 20 109.127 7.220 -9.877 129 HZ1 LYS 20 3HZ LYS 20 106.713 6.021 -10.617 130 HZ2 LYS 20 1HZ LYS 20 108.283 5.402 -10.780 131 HZ3 LYS 20 2HZ LYS 20 107.595 6.313 -12.038 132 H MET 21 H MET 21 109.523 8.984 -5.149 133 HA MET 21 HA MET 21 112.403 9.615 -4.744 134 HB2 MET 21 1HB MET 21 110.222 9.239 -2.682 135 HB3 MET 21 2HB MET 21 111.938 9.403 -2.307 136 HG2 MET 21 1HG MET 21 111.921 11.604 -3.531 137 HG3 MET 21 2HG MET 21 110.171 11.453 -3.670 138 HE1 MET 21 3HE MET 21 108.625 11.056 -1.802 139 HE2 MET 21 1HE MET 21 108.876 11.467 -0.100 140 HE3 MET 21 2HE MET 21 109.534 9.969 -0.753 141 H GLY 22 H GLY 22 113.691 7.954 -3.753 142 HA2 GLY 22 1HA GLY 22 112.542 5.231 -4.080 143 HA3 GLY 22 2HA GLY 22 114.175 5.647 -4.595 144 H GLY 23 H GLY 23 113.017 3.761 -2.473 145 HA2 GLY 23 1HA GLY 23 114.789 4.658 -0.285 146 HA3 GLY 23 2HA GLY 23 113.153 4.118 0.066 147 H PHE 24 H PHE 24 115.899 3.082 0.778 148 HA PHE 24 HA PHE 24 115.571 0.304 -0.217 149 HB2 PHE 24 1HB PHE 24 117.986 1.652 1.010 150 HB3 PHE 24 2HB PHE 24 117.906 -0.030 0.520 151 HD1 PHE 24 HD1 PHE 24 117.751 -0.622 -1.896 152 HD2 PHE 24 HD2 PHE 24 118.300 3.428 -0.571 153 HE1 PHE 24 HE1 PHE 24 118.469 0.028 -4.179 154 HE2 PHE 24 HE2 PHE 24 119.018 4.076 -2.854 155 HZ PHE 24 HZ PHE 24 119.104 2.377 -4.658 156 H ASN 25 H ASN 25 115.089 -1.279 1.271 157 HA ASN 25 HA ASN 25 114.883 -0.411 4.103 158 HB2 ASN 25 1HB ASN 25 112.695 -0.362 2.858 159 HB3 ASN 25 2HB ASN 25 112.850 -2.106 2.651 160 HD21 ASN 25 1HD2 ASN 25 110.838 -2.267 4.005 161 HD22 ASN 25 2HD2 ASN 25 110.968 -2.157 5.694 162 H LEU 26 H LEU 26 115.479 -1.832 5.619 163 HA LEU 26 HA LEU 26 115.976 -4.642 4.827 164 HB2 LEU 26 1HB LEU 26 118.011 -2.966 5.289 165 HB3 LEU 26 2HB LEU 26 117.634 -3.353 6.960 166 HG LEU 26 HG LEU 26 119.353 -4.861 6.170 167 HD11 LEU 26 1HD1 LEU 26 118.457 -6.837 6.949 168 HD12 LEU 26 2HD1 LEU 26 116.955 -6.643 6.046 169 HD13 LEU 26 3HD1 LEU 26 117.230 -5.703 7.513 170 HD21 LEU 26 3HD2 LEU 26 119.218 -6.147 4.200 171 HD22 LEU 26 1HD2 LEU 26 118.584 -4.573 3.721 172 HD23 LEU 26 2HD2 LEU 26 117.478 -5.905 4.054 173 H LYS 27 H LYS 27 115.083 -6.143 6.219 174 HA LYS 27 HA LYS 27 114.022 -5.171 8.792 175 HB2 LYS 27 1HB LYS 27 112.219 -5.053 7.083 176 HB3 LYS 27 2HB LYS 27 112.425 -6.778 6.786 177 HG2 LYS 27 1HG LYS 27 111.835 -7.288 9.098 178 HG3 LYS 27 2HG LYS 27 111.721 -5.571 9.476 179 HD2 LYS 27 1HD LYS 27 109.480 -6.383 9.093 180 HD3 LYS 27 2HD LYS 27 109.929 -5.381 7.712 181 HE2 LYS 27 1HE LYS 27 110.367 -7.290 6.344 182 HE3 LYS 27 2HE LYS 27 110.306 -8.382 7.729 183 HZ1 LYS 27 3HZ LYS 27 108.240 -7.884 6.091 184 HZ2 LYS 27 1HZ LYS 27 107.929 -6.784 7.345 185 HZ3 LYS 27 2HZ LYS 27 108.084 -8.442 7.689 186 H TYR 28 H TYR 28 113.847 -6.707 10.391 187 HA TYR 28 HA TYR 28 114.651 -9.472 9.740 188 HB2 TYR 28 1HB TYR 28 116.063 -9.579 11.688 189 HB3 TYR 28 2HB TYR 28 116.593 -8.249 10.679 190 HD1 TYR 28 HD1 TYR 28 115.028 -9.209 13.865 191 HD2 TYR 28 HD2 TYR 28 116.318 -5.930 11.409 192 HE1 TYR 28 HE1 TYR 28 114.843 -7.680 15.808 193 HE2 TYR 28 HE2 TYR 28 116.133 -4.400 13.353 194 HH TYR 28 HH TYR 28 116.234 -5.051 16.216 195 H ARG 29 H ARG 29 113.753 -11.060 11.205 196 HA ARG 29 HA ARG 29 111.766 -10.105 13.086 197 HB2 ARG 29 1HB ARG 29 109.858 -11.110 12.022 198 HB3 ARG 29 2HB ARG 29 110.638 -10.008 10.891 199 HG2 ARG 29 1HG ARG 29 111.811 -11.972 9.865 200 HG3 ARG 29 2HG ARG 29 110.861 -13.029 10.911 201 HD2 ARG 29 1HD ARG 29 108.778 -11.996 9.973 202 HD3 ARG 29 2HD ARG 29 109.783 -11.096 8.842 203 HE ARG 29 HE ARG 29 110.134 -13.061 7.639 204 HH11 ARG 29 1HH1 ARG 29 108.544 -13.843 10.670 205 HH12 ARG 29 2HH1 ARG 29 108.211 -15.473 10.190 206 HH21 ARG 29 1HH2 ARG 29 109.678 -15.169 7.076 207 HH22 ARG 29 2HH2 ARG 29 108.846 -16.213 8.180 208 H TYR 30 H TYR 30 111.098 -11.596 14.604 209 HA TYR 30 HA TYR 30 112.611 -14.137 14.588 210 HB2 TYR 30 1HB TYR 30 111.352 -12.636 16.890 211 HB3 TYR 30 2HB TYR 30 112.253 -14.136 17.018 212 HD1 TYR 30 HD2 TYR 30 114.688 -14.164 16.781 213 HD2 TYR 30 HD1 TYR 30 112.456 -10.506 16.472 214 HE1 TYR 30 HE2 TYR 30 116.787 -12.863 17.018 215 HE2 TYR 30 HE1 TYR 30 114.556 -9.206 16.712 216 HH TYR 30 HH TYR 30 117.302 -10.029 16.133 217 H GLU 31 H GLU 31 111.532 -16.083 14.908 218 HA GLU 31 HA GLU 31 108.660 -15.965 14.350 219 HB2 GLU 31 1HB GLU 31 110.181 -17.468 13.042 220 HB3 GLU 31 2HB GLU 31 110.460 -18.393 14.518 221 HG2 GLU 31 1HG GLU 31 108.007 -18.777 14.702 222 HG3 GLU 31 2HG GLU 31 107.783 -17.937 13.174 223 H GLU 32 H GLU 32 107.167 -16.263 15.820 224 HA GLU 32 HA GLU 32 107.946 -17.291 18.485 225 HB2 GLU 32 1HB GLU 32 106.037 -15.038 17.818 226 HB3 GLU 32 2HB GLU 32 106.349 -15.668 19.436 227 HG2 GLU 32 1HG GLU 32 108.439 -14.461 17.602 228 HG3 GLU 32 2HG GLU 32 107.690 -13.636 18.965 229 H ASP 33 H ASP 33 106.298 -18.322 19.699 230 HA ASP 33 HA ASP 33 104.692 -20.049 18.069 231 HB2 ASP 33 1HB ASP 33 103.997 -21.033 20.267 232 HB3 ASP 33 2HB ASP 33 105.737 -21.005 20.000 233 H ASN 34 H ASN 34 102.392 -20.529 19.285 234 HA ASN 34 HA ASN 34 100.711 -18.742 18.041 235 HB2 ASN 34 1HB ASN 34 100.167 -21.063 18.821 236 HB3 ASN 34 2HB ASN 34 99.949 -20.402 20.441 237 HD21 ASN 34 1HD2 ASN 34 97.828 -19.815 20.896 238 HD22 ASN 34 2HD2 ASN 34 96.675 -19.356 19.739 239 H SER 35 H SER 35 101.728 -18.606 21.490 240 HA SER 35 HA SER 35 99.654 -16.603 21.957 241 HB2 SER 35 1HB SER 35 100.714 -16.784 24.367 242 HB3 SER 35 2HB SER 35 99.638 -18.026 23.739 243 HG SER 35 HG SER 35 101.676 -18.772 24.667 244 HA PRO 36 HA PRO 36 103.097 -13.606 21.991 245 HB2 PRO 36 1HB PRO 36 105.694 -14.219 21.656 246 HB3 PRO 36 2HB PRO 36 104.900 -14.410 23.233 247 HG2 PRO 36 1HG PRO 36 105.684 -16.463 21.259 248 HG3 PRO 36 2HG PRO 36 105.602 -16.559 23.026 249 HD2 PRO 36 1HD PRO 36 103.651 -17.508 21.208 250 HD3 PRO 36 2HD PRO 36 103.486 -17.372 22.964 251 H LEU 37 H LEU 37 103.151 -12.376 20.187 252 HA LEU 37 HA LEU 37 103.106 -13.611 17.580 253 HB2 LEU 37 1HB LEU 37 103.134 -10.678 18.332 254 HB3 LEU 37 2HB LEU 37 102.729 -11.343 16.750 255 HG LEU 37 HG LEU 37 101.222 -11.948 19.314 256 HD11 LEU 37 1HD1 LEU 37 99.417 -10.591 18.138 257 HD12 LEU 37 2HD1 LEU 37 100.668 -10.055 17.017 258 HD13 LEU 37 3HD1 LEU 37 100.793 -9.660 18.730 259 HD21 LEU 37 3HD2 LEU 37 100.823 -12.706 16.408 260 HD22 LEU 37 1HD2 LEU 37 99.528 -12.809 17.602 261 HD23 LEU 37 2HD2 LEU 37 100.986 -13.784 17.794 262 H GLY 38 H GLY 38 104.490 -12.793 15.780 263 HA2 GLY 38 1HA GLY 38 107.280 -12.985 16.558 264 HA3 GLY 38 2HA GLY 38 106.652 -12.882 14.912 265 H VAL 39 H VAL 39 108.836 -11.307 16.395 266 HA VAL 39 HA VAL 39 107.617 -8.609 16.330 267 HB VAL 39 HB VAL 39 110.301 -9.472 17.445 268 HG11 VAL 39 1HG1 VAL 39 110.310 -7.135 16.802 269 HG12 VAL 39 2HG1 VAL 39 110.158 -7.219 18.556 270 HG13 VAL 39 3HG1 VAL 39 108.741 -6.875 17.565 271 HG21 VAL 39 3HG2 VAL 39 109.245 -9.216 19.645 272 HG22 VAL 39 1HG2 VAL 39 108.367 -10.418 18.699 273 HG23 VAL 39 2HG2 VAL 39 107.715 -8.789 18.880 274 H ILE 40 H ILE 40 107.996 -7.362 14.607 275 HA ILE 40 HA ILE 40 110.336 -7.998 12.897 276 HB ILE 40 HB ILE 40 109.049 -7.208 10.987 277 HG12 ILE 40 1HG1 ILE 40 106.656 -6.963 12.823 278 HG13 ILE 40 2HG1 ILE 40 107.629 -5.576 12.343 279 HG21 ILE 40 1HG2 ILE 40 108.638 -9.441 10.979 280 HG22 ILE 40 2HG2 ILE 40 107.003 -8.980 11.411 281 HG23 ILE 40 3HG2 ILE 40 108.134 -9.482 12.664 282 HD11 ILE 40 3HD1 ILE 40 105.522 -6.121 10.945 283 HD12 ILE 40 1HD1 ILE 40 106.473 -7.446 10.276 284 HD13 ILE 40 2HD1 ILE 40 107.019 -5.781 10.079 285 H GLY 41 H GLY 41 111.637 -6.322 12.229 286 HA2 GLY 41 1HA GLY 41 110.825 -3.571 12.863 287 HA3 GLY 41 2HA GLY 41 112.306 -4.179 13.604 288 H SER 42 H SER 42 111.573 -2.131 11.362 289 HA SER 42 HA SER 42 113.702 -3.002 9.522 290 HB2 SER 42 1HB SER 42 112.375 -2.559 7.558 291 HB3 SER 42 2HB SER 42 111.489 -3.698 8.565 292 HG SER 42 HG SER 42 110.031 -2.201 8.968 293 H PHE 43 H PHE 43 114.651 -1.305 8.318 294 HA PHE 43 HA PHE 43 113.846 1.437 9.082 295 HB2 PHE 43 1HB PHE 43 116.183 2.087 9.289 296 HB3 PHE 43 2HB PHE 43 115.783 0.836 10.447 297 HD1 PHE 43 HD1 PHE 43 116.689 -1.434 10.209 298 HD2 PHE 43 HD2 PHE 43 117.708 1.688 7.442 299 HE1 PHE 43 HE1 PHE 43 118.581 -2.798 9.366 300 HE2 PHE 43 HE2 PHE 43 119.597 0.325 6.598 301 HZ PHE 43 HZ PHE 43 120.036 -1.919 7.560 302 H THR 44 H THR 44 113.973 2.918 7.463 303 HA THR 44 HA THR 44 114.980 1.994 4.841 304 HB THR 44 HB THR 44 112.437 3.567 5.282 305 HG1 THR 44 HG1 THR 44 112.989 0.831 4.967 306 HG21 THR 44 3HG2 THR 44 113.671 3.911 3.123 307 HG22 THR 44 1HG2 THR 44 112.077 3.187 2.914 308 HG23 THR 44 2HG2 THR 44 113.522 2.182 2.816 309 H TYR 45 H TYR 45 116.037 3.455 3.621 310 HA TYR 45 HA TYR 45 116.215 6.244 4.626 311 HB2 TYR 45 1HB TYR 45 118.294 4.578 3.198 312 HB3 TYR 45 2HB TYR 45 118.450 6.293 3.517 313 HD1 TYR 45 HD1 TYR 45 118.802 7.116 5.813 314 HD2 TYR 45 HD2 TYR 45 118.562 2.918 4.936 315 HE1 TYR 45 HE1 TYR 45 119.789 6.597 8.029 316 HE2 TYR 45 HE2 TYR 45 119.549 2.400 7.150 317 HH TYR 45 HH TYR 45 121.051 4.734 9.087 318 H THR 46 H THR 46 115.751 7.851 3.149 319 HA THR 46 HA THR 46 114.900 6.916 0.469 320 HB THR 46 HB THR 46 114.007 9.408 1.924 321 HG1 THR 46 HG1 THR 46 113.047 6.765 1.899 322 HG21 THR 46 3HG2 THR 46 112.952 7.903 -0.485 323 HG22 THR 46 1HG2 THR 46 113.735 9.484 -0.501 324 HG23 THR 46 2HG2 THR 46 112.158 9.289 0.265 325 H GLU 47 H GLU 47 115.478 8.065 -1.358 326 HA GLU 47 HA GLU 47 117.376 10.301 -1.011 327 HB2 GLU 47 1HB GLU 47 117.738 7.924 -2.851 328 HB3 GLU 47 2HB GLU 47 118.767 9.356 -2.822 329 HG2 GLU 47 1HG GLU 47 119.280 8.903 -0.430 330 HG3 GLU 47 2HG GLU 47 118.322 7.432 -0.524 331 H LYS 48 H LYS 48 117.148 11.924 -2.446 332 HA LYS 48 HA LYS 48 115.599 11.511 -4.899 333 HB2 LYS 48 1HB LYS 48 113.985 12.273 -3.155 334 HB3 LYS 48 2HB LYS 48 114.965 13.722 -2.926 335 HG2 LYS 48 1HG LYS 48 114.659 14.274 -5.335 336 HG3 LYS 48 2HG LYS 48 113.599 12.871 -5.496 337 HD2 LYS 48 1HD LYS 48 112.136 13.837 -3.706 338 HD3 LYS 48 2HD LYS 48 113.145 15.283 -3.718 339 HE2 LYS 48 1HE LYS 48 111.837 14.218 -6.226 340 HE3 LYS 48 2HE LYS 48 111.031 15.373 -5.163 341 HZ1 LYS 48 3HZ LYS 48 112.088 16.787 -6.577 342 HZ2 LYS 48 1HZ LYS 48 113.387 15.733 -6.863 343 HZ3 LYS 48 2HZ LYS 48 113.310 16.612 -5.410 344 H SER 49 H SER 49 116.373 12.716 -6.580 345 HA SER 49 HA SER 49 118.188 14.957 -5.990 346 HB2 SER 49 1HB SER 49 119.587 12.919 -6.259 347 HB3 SER 49 2HB SER 49 118.891 12.683 -7.859 348 HG SER 49 HG SER 49 120.824 14.416 -7.007 349 H ARG 50 H ARG 50 118.027 16.612 -7.404 350 HA ARG 50 HA ARG 50 116.077 16.337 -9.579 351 HB2 ARG 50 1HB ARG 50 117.453 18.767 -8.412 352 HB3 ARG 50 2HB ARG 50 116.263 18.817 -9.714 353 HG2 ARG 50 1HG ARG 50 114.640 17.650 -8.195 354 HG3 ARG 50 2HG ARG 50 115.814 17.811 -6.891 355 HD2 ARG 50 1HD ARG 50 114.544 20.084 -8.440 356 HD3 ARG 50 2HD ARG 50 114.184 19.631 -6.778 357 HE ARG 50 HE ARG 50 116.967 20.301 -7.334 358 HH11 ARG 50 1HH1 ARG 50 113.867 21.452 -6.152 359 HH12 ARG 50 2HH1 ARG 50 114.572 22.809 -5.337 360 HH21 ARG 50 1HH2 ARG 50 117.814 22.069 -6.273 361 HH22 ARG 50 2HH2 ARG 50 116.776 23.151 -5.404 362 H THR 51 H THR 51 119.280 17.861 -9.176 363 HA THR 51 HA THR 51 119.992 16.918 -11.890 364 HB THR 51 HB THR 51 121.219 18.992 -12.258 365 HG1 THR 51 HG1 THR 51 120.128 19.826 -9.781 366 HG21 THR 51 3HG2 THR 51 118.902 18.997 -12.979 367 HG22 THR 51 1HG2 THR 51 119.280 20.578 -12.298 368 HG23 THR 51 2HG2 THR 51 118.357 19.411 -11.354 369 H ALA 52 H ALA 52 122.322 16.681 -12.226 370 HA ALA 52 HA ALA 52 123.609 15.625 -9.827 371 HB1 ALA 52 1HB ALA 52 124.098 15.416 -12.777 372 HB2 ALA 52 2HB ALA 52 123.906 14.134 -11.583 373 HB3 ALA 52 3HB ALA 52 125.407 15.054 -11.654 374 H SER 53 H SER 53 124.463 17.228 -8.607 375 HA SER 53 HA SER 53 126.381 19.067 -9.925 376 HB2 SER 53 1HB SER 53 124.597 19.652 -7.547 377 HB3 SER 53 2HB SER 53 125.799 20.745 -8.228 378 HG SER 53 HG SER 53 124.435 21.223 -9.757 379 H SER 54 H SER 54 128.337 19.339 -8.952 380 HA SER 54 HA SER 54 129.323 17.305 -7.267 381 HB2 SER 54 1HB SER 54 130.511 20.040 -7.781 382 HB3 SER 54 2HB SER 54 131.364 18.630 -7.163 383 HG SER 54 HG SER 54 131.115 19.274 -9.638 384 H GLY 55 H GLY 55 128.075 20.533 -6.568 385 HA2 GLY 55 1HA GLY 55 128.961 20.426 -3.803 386 HA3 GLY 55 2HA GLY 55 128.072 21.738 -4.566 387 H ASP 56 H ASP 56 125.853 20.359 -5.551 388 HA ASP 56 HA ASP 56 124.456 19.910 -3.004 389 HB2 ASP 56 1HB ASP 56 123.410 20.522 -5.774 390 HB3 ASP 56 2HB ASP 56 122.404 20.296 -4.345 391 H TYR 57 H TYR 57 124.213 17.871 -2.385 392 HA TYR 57 HA TYR 57 123.257 15.914 -4.390 393 HB2 TYR 57 1HB TYR 57 125.222 15.481 -2.144 394 HB3 TYR 57 2HB TYR 57 124.382 14.169 -2.947 395 HD1 TYR 57 HD1 TYR 57 124.592 14.160 -5.590 396 HD2 TYR 57 HD2 TYR 57 127.306 16.141 -2.917 397 HE1 TYR 57 HE1 TYR 57 126.346 14.115 -7.342 398 HE2 TYR 57 HE2 TYR 57 129.065 16.097 -4.668 399 HH TYR 57 HH TYR 57 129.608 14.762 -6.688 400 H ASN 58 H ASN 58 121.300 15.129 -3.897 401 HA ASN 58 HA ASN 58 119.419 14.563 -2.707 402 HB2 ASN 58 1HB ASN 58 121.321 13.101 -1.664 403 HB3 ASN 58 2HB ASN 58 121.127 14.166 -0.276 404 HD21 ASN 58 1HD2 ASN 58 120.486 11.446 0.008 405 HD22 ASN 58 2HD2 ASN 58 118.805 11.274 0.157 406 H LYS 59 H LYS 59 118.457 16.611 -2.690 407 HA LYS 59 HA LYS 59 119.167 18.745 -1.014 408 HB2 LYS 59 1HB LYS 59 116.421 18.115 -2.122 409 HB3 LYS 59 2HB LYS 59 116.985 19.686 -1.560 410 HG2 LYS 59 1HG LYS 59 118.198 18.138 -3.868 411 HG3 LYS 59 2HG LYS 59 117.076 19.488 -4.037 412 HD2 LYS 59 1HD LYS 59 118.707 20.909 -2.748 413 HD3 LYS 59 2HD LYS 59 119.849 19.566 -2.813 414 HE2 LYS 59 1HE LYS 59 120.147 19.747 -5.114 415 HE3 LYS 59 2HE LYS 59 118.589 20.535 -5.359 416 HZ1 LYS 59 3HZ LYS 59 120.543 22.030 -5.563 417 HZ2 LYS 59 1HZ LYS 59 120.859 21.783 -3.915 418 HZ3 LYS 59 2HZ LYS 59 119.412 22.530 -4.397 419 H ASN 60 H ASN 60 116.909 16.060 -0.491 420 HA ASN 60 HA ASN 60 116.911 16.728 2.372 421 HB2 ASN 60 1HB ASN 60 114.496 16.484 2.541 422 HB3 ASN 60 2HB ASN 60 114.891 17.770 1.407 423 HD21 ASN 60 1HD2 ASN 60 112.365 16.436 1.307 424 HD22 ASN 60 2HD2 ASN 60 112.290 15.536 -0.130 425 H GLN 61 H GLN 61 116.426 14.967 3.756 426 HA GLN 61 HA GLN 61 116.506 12.303 2.451 427 HB2 GLN 61 1HB GLN 61 118.037 13.221 4.897 428 HB3 GLN 61 2HB GLN 61 117.961 11.556 4.321 429 HG2 GLN 61 1HG GLN 61 118.977 12.208 2.198 430 HG3 GLN 61 2HG GLN 61 118.983 13.899 2.692 431 HE21 GLN 61 1HE2 GLN 61 121.404 12.544 1.992 432 HE22 GLN 61 2HE2 GLN 61 122.358 12.400 3.388 433 H TYR 62 H TYR 62 115.371 10.641 3.523 434 HA TYR 62 HA TYR 62 113.812 11.457 5.904 435 HB2 TYR 62 1HB TYR 62 112.771 9.881 3.547 436 HB3 TYR 62 2HB TYR 62 111.896 10.194 5.032 437 HD1 TYR 62 HD1 TYR 62 111.221 12.544 5.606 438 HD2 TYR 62 HD2 TYR 62 112.906 11.495 1.795 439 HE1 TYR 62 HE1 TYR 62 110.376 14.670 4.646 440 HE2 TYR 62 HE2 TYR 62 112.061 13.621 0.837 441 HH TYR 62 HH TYR 62 109.914 15.723 2.641 442 H TYR 63 H TYR 63 113.731 10.004 7.508 443 HA TYR 63 HA TYR 63 114.746 7.270 6.981 444 HB2 TYR 63 1HB TYR 63 116.479 8.581 8.116 445 HB3 TYR 63 2HB TYR 63 115.336 9.027 9.368 446 HD1 TYR 63 HD1 TYR 63 117.074 6.118 7.809 447 HD2 TYR 63 HD2 TYR 63 115.008 7.639 11.256 448 HE1 TYR 63 HE1 TYR 63 117.702 4.086 9.083 449 HE2 TYR 63 HE2 TYR 63 115.639 5.606 12.529 450 HH TYR 63 HH TYR 63 117.693 3.088 11.069 451 H GLY 64 H GLY 64 113.494 5.676 7.763 452 HA2 GLY 64 1HA GLY 64 111.387 6.380 9.730 453 HA3 GLY 64 2HA GLY 64 111.006 5.467 8.275 454 H ILE 65 H ILE 65 111.118 4.960 11.348 455 HA ILE 65 HA ILE 65 112.318 2.260 11.074 456 HB ILE 65 HB ILE 65 113.689 3.649 12.574 457 HG12 ILE 65 1HG1 ILE 65 112.072 1.717 14.247 458 HG13 ILE 65 2HG1 ILE 65 113.215 1.175 13.018 459 HG21 ILE 65 1HG2 ILE 65 111.264 3.849 14.366 460 HG22 ILE 65 2HG2 ILE 65 111.719 5.129 13.242 461 HG23 ILE 65 3HG2 ILE 65 112.815 4.670 14.544 462 HD11 ILE 65 3HD1 ILE 65 114.005 3.111 15.199 463 HD12 ILE 65 1HD1 ILE 65 115.061 2.169 14.146 464 HD13 ILE 65 2HD1 ILE 65 114.127 1.363 15.406 465 H THR 66 H THR 66 110.882 0.653 11.355 466 HA THR 66 HA THR 66 108.283 1.324 12.618 467 HB THR 66 HB THR 66 107.207 -0.135 10.967 468 HG1 THR 66 HG1 THR 66 109.611 -0.158 9.522 469 HG21 THR 66 3HG2 THR 66 107.976 1.310 8.871 470 HG22 THR 66 1HG2 THR 66 108.787 2.258 10.118 471 HG23 THR 66 2HG2 THR 66 107.041 2.026 10.183 472 H ALA 67 H ALA 67 107.183 -0.360 13.655 473 HA ALA 67 HA ALA 67 108.576 -2.931 13.982 474 HB1 ALA 67 1HB ALA 67 109.267 -1.872 15.978 475 HB2 ALA 67 2HB ALA 67 107.839 -2.789 16.456 476 HB3 ALA 67 3HB ALA 67 107.720 -1.051 16.179 477 H GLY 68 H GLY 68 107.118 -4.681 14.411 478 HA2 GLY 68 1HA GLY 68 104.269 -4.118 14.551 479 HA3 GLY 68 2HA GLY 68 104.826 -4.716 12.998 480 HA PRO 69 HA PRO 69 104.361 -8.561 15.444 481 HB2 PRO 69 1HB PRO 69 101.668 -9.065 15.458 482 HB3 PRO 69 2HB PRO 69 102.503 -8.189 16.753 483 HG2 PRO 69 1HG PRO 69 100.588 -7.198 14.851 484 HG3 PRO 69 2HG PRO 69 101.302 -6.374 16.244 485 HD2 PRO 69 1HD PRO 69 102.058 -6.202 13.401 486 HD3 PRO 69 2HD PRO 69 102.426 -5.083 14.733 487 H ALA 70 H ALA 70 104.948 -10.082 14.064 488 HA ALA 70 HA ALA 70 103.818 -10.451 11.432 489 HB1 ALA 70 1HB ALA 70 106.166 -10.882 11.680 490 HB2 ALA 70 2HB ALA 70 105.375 -12.432 11.402 491 HB3 ALA 70 3HB ALA 70 105.878 -11.978 13.030 492 H TYR 71 H TYR 71 102.439 -12.050 10.767 493 HA TYR 71 HA TYR 71 101.573 -14.062 12.756 494 HB2 TYR 71 1HB TYR 71 99.815 -12.365 12.209 495 HB3 TYR 71 2HB TYR 71 99.915 -12.867 10.532 496 HD1 TYR 71 HD1 TYR 71 98.953 -13.916 13.948 497 HD2 TYR 71 HD2 TYR 71 98.869 -14.892 9.766 498 HE1 TYR 71 HE1 TYR 71 97.302 -15.711 14.399 499 HE2 TYR 71 HE2 TYR 71 97.219 -16.686 10.218 500 HH TYR 71 HH TYR 71 96.716 -18.135 12.710 501 H ARG 72 H ARG 72 100.703 -16.087 11.599 502 HA ARG 72 HA ARG 72 103.021 -16.807 9.964 503 HB2 ARG 72 1HB ARG 72 101.167 -18.429 11.691 504 HB3 ARG 72 2HB ARG 72 102.329 -19.172 10.595 505 HG2 ARG 72 1HG ARG 72 104.142 -17.844 11.722 506 HG3 ARG 72 2HG ARG 72 102.942 -17.303 12.900 507 HD2 ARG 72 1HD ARG 72 102.442 -19.678 13.442 508 HD3 ARG 72 2HD ARG 72 103.709 -20.176 12.329 509 HE ARG 72 HE ARG 72 104.503 -18.349 14.464 510 HH11 ARG 72 1HH1 ARG 72 104.334 -21.689 13.381 511 HH12 ARG 72 2HH1 ARG 72 105.598 -22.202 14.448 512 HH21 ARG 72 1HH2 ARG 72 106.136 -19.083 15.812 513 HH22 ARG 72 2HH2 ARG 72 106.599 -20.749 15.803 514 H ILE 73 H ILE 73 102.974 -17.735 8.072 515 HA ILE 73 HA ILE 73 100.704 -17.262 6.404 516 HB ILE 73 HB ILE 73 103.041 -16.884 5.714 517 HG12 ILE 73 1HG1 ILE 73 101.680 -19.035 4.066 518 HG13 ILE 73 2HG1 ILE 73 101.256 -17.325 4.040 519 HG21 ILE 73 1HG2 ILE 73 103.452 -19.825 5.347 520 HG22 ILE 73 2HG2 ILE 73 103.730 -19.128 6.941 521 HG23 ILE 73 3HG2 ILE 73 104.644 -18.541 5.553 522 HD11 ILE 73 3HD1 ILE 73 103.811 -16.983 3.537 523 HD12 ILE 73 1HD1 ILE 73 102.722 -17.457 2.234 524 HD13 ILE 73 2HD1 ILE 73 103.738 -18.667 3.020 525 H ASN 74 H ASN 74 99.137 -18.616 5.824 526 HA ASN 74 HA ASN 74 99.411 -21.496 6.314 527 HB2 ASN 74 1HB ASN 74 97.039 -19.912 5.295 528 HB3 ASN 74 2HB ASN 74 97.030 -21.608 5.773 529 HD21 ASN 74 1HD2 ASN 74 98.525 -21.535 8.153 530 HD22 ASN 74 2HD2 ASN 74 97.715 -20.576 9.297 531 H ASP 75 H ASP 75 98.071 -19.544 3.658 532 HA ASP 75 HA ASP 75 99.826 -20.889 1.739 533 HB2 ASP 75 1HB ASP 75 97.726 -22.241 1.853 534 HB3 ASP 75 2HB ASP 75 96.819 -20.803 1.384 535 H TRP 76 H TRP 76 100.847 -18.941 1.297 536 HA TRP 76 HA TRP 76 101.146 -16.763 0.619 537 HB2 TRP 76 1HB TRP 76 99.929 -18.035 -1.364 538 HB3 TRP 76 2HB TRP 76 98.641 -16.907 -0.990 539 HD1 TRP 76 HD1 TRP 76 100.143 -14.279 -0.474 540 HE1 TRP 76 HE1 TRP 76 101.468 -13.102 -2.345 541 HE3 TRP 76 HE3 TRP 76 100.916 -18.225 -3.623 542 HZ2 TRP 76 HZ2 TRP 76 102.696 -13.749 -4.851 543 HZ3 TRP 76 HZ3 TRP 76 102.164 -17.916 -5.740 544 HH2 TRP 76 HH2 TRP 76 103.054 -15.689 -6.357 545 H ALA 77 H ALA 77 99.628 -17.128 3.024 546 HA ALA 77 HA ALA 77 97.788 -14.818 2.945 547 HB1 ALA 77 1HB ALA 77 96.705 -16.013 4.945 548 HB2 ALA 77 2HB ALA 77 97.598 -17.438 4.410 549 HB3 ALA 77 3HB ALA 77 96.418 -16.684 3.338 550 H SER 78 H SER 78 100.769 -14.921 3.665 551 HA SER 78 HA SER 78 100.953 -14.813 6.523 552 HB2 SER 78 1HB SER 78 102.797 -15.130 4.601 553 HB3 SER 78 2HB SER 78 102.945 -13.393 4.809 554 HG SER 78 HG SER 78 104.067 -15.180 6.271 555 H ILE 79 H ILE 79 101.185 -12.908 7.857 556 HA ILE 79 HA ILE 79 100.221 -10.418 6.560 557 HB ILE 79 HB ILE 79 99.086 -11.546 9.133 558 HG12 ILE 79 1HG1 ILE 79 97.762 -11.238 6.421 559 HG13 ILE 79 2HG1 ILE 79 98.384 -12.765 7.048 560 HG21 ILE 79 1HG2 ILE 79 99.215 -9.022 8.880 561 HG22 ILE 79 2HG2 ILE 79 97.585 -9.665 9.067 562 HG23 ILE 79 3HG2 ILE 79 98.163 -9.187 7.471 563 HD11 ILE 79 3HD1 ILE 79 96.902 -12.407 9.080 564 HD12 ILE 79 1HD1 ILE 79 96.043 -12.723 7.571 565 HD13 ILE 79 2HD1 ILE 79 96.151 -11.078 8.197 566 H TYR 80 H TYR 80 101.460 -8.750 7.064 567 HA TYR 80 HA TYR 80 102.535 -8.604 9.825 568 HB2 TYR 80 1HB TYR 80 103.900 -7.600 7.319 569 HB3 TYR 80 2HB TYR 80 104.515 -7.489 8.958 570 HD1 TYR 80 HD1 TYR 80 105.383 -9.483 10.116 571 HD2 TYR 80 HD2 TYR 80 103.976 -9.665 6.060 572 HE1 TYR 80 HE1 TYR 80 106.491 -11.683 9.828 573 HE2 TYR 80 HE2 TYR 80 105.083 -11.866 5.776 574 HH TYR 80 HH TYR 80 107.287 -13.003 7.132 575 H GLY 81 H GLY 81 101.954 -6.772 10.871 576 HA2 GLY 81 1HA GLY 81 101.160 -4.421 9.208 577 HA3 GLY 81 2HA GLY 81 100.335 -4.848 10.707 578 H VAL 82 H VAL 82 102.070 -2.442 9.806 579 HA VAL 82 HA VAL 82 103.866 -2.463 12.148 580 HB VAL 82 HB VAL 82 105.698 -1.569 10.770 581 HG11 VAL 82 1HG1 VAL 82 106.201 -3.686 9.561 582 HG12 VAL 82 2HG1 VAL 82 104.535 -4.204 9.827 583 HG13 VAL 82 3HG1 VAL 82 105.616 -3.971 11.201 584 HG21 VAL 82 3HG2 VAL 82 105.518 -1.690 8.307 585 HG22 VAL 82 1HG2 VAL 82 104.317 -0.582 8.970 586 HG23 VAL 82 2HG2 VAL 82 103.836 -2.200 8.456 587 H VAL 83 H VAL 83 104.402 -0.495 13.001 588 HA VAL 83 HA VAL 83 103.413 1.938 11.662 589 HB VAL 83 HB VAL 83 102.767 2.861 13.876 590 HG11 VAL 83 1HG1 VAL 83 101.167 1.608 12.320 591 HG12 VAL 83 2HG1 VAL 83 100.664 1.741 14.005 592 HG13 VAL 83 3HG1 VAL 83 101.349 0.231 13.406 593 HG21 VAL 83 3HG2 VAL 83 103.336 0.025 14.804 594 HG22 VAL 83 1HG2 VAL 83 102.511 1.249 15.770 595 HG23 VAL 83 2HG2 VAL 83 104.196 1.482 15.305 596 H GLY 84 H GLY 84 104.839 3.715 11.879 597 HA2 GLY 84 1HA GLY 84 107.264 3.300 13.463 598 HA3 GLY 84 2HA GLY 84 107.457 3.398 11.718 599 H VAL 85 H VAL 85 108.806 5.196 13.021 600 HA VAL 85 HA VAL 85 107.217 7.703 12.872 601 HB VAL 85 HB VAL 85 108.982 8.701 14.291 602 HG11 VAL 85 1HG1 VAL 85 108.095 6.197 15.695 603 HG12 VAL 85 2HG1 VAL 85 106.888 7.358 15.145 604 HG13 VAL 85 3HG1 VAL 85 108.129 7.855 16.294 605 HG21 VAL 85 3HG2 VAL 85 110.608 7.173 15.399 606 HG22 VAL 85 1HG2 VAL 85 110.855 7.252 13.654 607 HG23 VAL 85 2HG2 VAL 85 110.044 5.858 14.370 608 H GLY 86 H GLY 86 107.778 9.146 11.322 609 HA2 GLY 86 1HA GLY 86 110.258 8.584 9.773 610 HA3 GLY 86 2HA GLY 86 108.782 9.249 9.084 611 H TYR 87 H TYR 87 111.736 10.140 9.563 612 HA TYR 87 HA TYR 87 111.079 12.873 10.505 613 HB2 TYR 87 1HB TYR 87 113.678 11.351 10.774 614 HB3 TYR 87 2HB TYR 87 113.438 13.025 11.230 615 HD1 TYR 87 HD1 TYR 87 112.161 13.609 13.235 616 HD2 TYR 87 HD2 TYR 87 112.773 9.515 12.091 617 HE1 TYR 87 HE1 TYR 87 111.444 12.871 15.492 618 HE2 TYR 87 HE2 TYR 87 112.054 8.777 14.348 619 HH TYR 87 HH TYR 87 110.483 10.816 16.533 620 H GLY 88 H GLY 88 111.497 14.467 9.085 621 HA2 GLY 88 1HA GLY 88 113.134 13.840 6.694 622 HA3 GLY 88 2HA GLY 88 111.858 15.054 6.753 623 H LYS 89 H LYS 89 114.901 15.092 6.204 624 HA LYS 89 HA LYS 89 115.475 17.403 7.971 625 HB2 LYS 89 1HB LYS 89 117.449 15.307 7.029 626 HB3 LYS 89 2HB LYS 89 117.834 16.729 7.999 627 HG2 LYS 89 1HG LYS 89 116.175 15.881 9.718 628 HG3 LYS 89 2HG LYS 89 116.097 14.381 8.794 629 HD2 LYS 89 1HD LYS 89 118.648 15.575 9.915 630 HD3 LYS 89 2HD LYS 89 117.738 14.266 10.672 631 HE2 LYS 89 1HE LYS 89 118.032 12.902 8.617 632 HE3 LYS 89 2HE LYS 89 119.002 14.196 7.914 633 HZ1 LYS 89 3HZ LYS 89 120.600 13.961 9.658 634 HZ2 LYS 89 1HZ LYS 89 120.334 12.432 8.974 635 HZ3 LYS 89 2HZ LYS 89 119.634 12.825 10.469 636 H PHE 90 H PHE 90 116.167 19.200 6.957 637 HA PHE 90 HA PHE 90 116.571 19.052 4.032 638 HB2 PHE 90 1HB PHE 90 114.704 20.461 4.855 639 HB3 PHE 90 2HB PHE 90 115.857 21.422 5.762 640 HD1 PHE 90 HD1 PHE 90 117.377 22.967 4.627 641 HD2 PHE 90 HD2 PHE 90 114.546 20.604 2.428 642 HE1 PHE 90 HE1 PHE 90 117.734 24.397 2.632 643 HE2 PHE 90 HE2 PHE 90 114.903 22.031 0.432 644 HZ PHE 90 HZ PHE 90 116.496 23.928 0.535 645 H GLN 91 H GLN 91 118.503 19.543 3.194 646 HA GLN 91 HA GLN 91 120.580 20.617 5.001 647 HB2 GLN 91 1HB GLN 91 120.995 18.392 3.948 648 HB3 GLN 91 2HB GLN 91 120.921 19.168 2.366 649 HG2 GLN 91 1HG GLN 91 122.765 20.707 3.104 650 HG3 GLN 91 2HG GLN 91 122.902 19.751 4.581 651 HE21 GLN 91 1HE2 GLN 91 124.594 18.286 4.416 652 HE22 GLN 91 2HE2 GLN 91 125.036 17.459 3.002 653 H THR 92 H THR 92 121.364 22.600 4.660 654 HA THR 92 HA THR 92 120.371 24.163 2.428 655 HB THR 92 HB THR 92 121.504 26.038 3.505 656 HG1 THR 92 HG1 THR 92 123.151 25.663 4.714 657 HG21 THR 92 3HG2 THR 92 120.331 24.476 5.784 658 HG22 THR 92 1HG2 THR 92 119.310 24.921 4.416 659 HG23 THR 92 2HG2 THR 92 120.107 26.175 5.363 660 H THR 93 H THR 93 121.777 25.373 1.000 661 HA THR 93 HA THR 93 123.801 23.741 -0.163 662 HB THR 93 HB THR 93 124.143 25.618 -1.700 663 HG1 THR 93 HG1 THR 93 122.438 26.971 0.118 664 HG21 THR 93 3HG2 THR 93 122.230 24.174 -2.120 665 HG22 THR 93 1HG2 THR 93 121.781 25.841 -2.484 666 HG23 THR 93 2HG2 THR 93 121.246 25.092 -0.979 667 H GLU 94 H GLU 94 123.879 26.566 1.962 668 HA GLU 94 HA GLU 94 126.833 26.331 2.091 669 HB2 GLU 94 1HB GLU 94 125.978 28.480 1.161 670 HB3 GLU 94 2HB GLU 94 125.134 28.763 2.684 671 HG2 GLU 94 1HG GLU 94 127.225 29.939 2.814 672 HG3 GLU 94 2HG GLU 94 127.357 28.529 3.860 673 H TYR 95 H TYR 95 127.696 25.782 3.977 674 HA TYR 95 HA TYR 95 127.889 25.178 6.176 675 HB2 TYR 95 1HB TYR 95 126.487 27.811 6.210 676 HB3 TYR 95 2HB TYR 95 126.692 26.944 7.719 677 HD1 TYR 95 HD1 TYR 95 128.835 27.578 4.699 678 HD2 TYR 95 HD2 TYR 95 128.467 27.749 8.975 679 HE1 TYR 95 HE1 TYR 95 131.152 28.444 4.861 680 HE2 TYR 95 HE2 TYR 95 130.784 28.617 9.139 681 HH TYR 95 HH TYR 95 132.488 29.549 7.930 682 HA PRO 96 HA PRO 96 123.628 23.356 6.544 683 HB2 PRO 96 1HB PRO 96 124.182 20.761 6.008 684 HB3 PRO 96 2HB PRO 96 123.853 21.939 4.721 685 HG2 PRO 96 1HG PRO 96 126.436 20.805 5.629 686 HG3 PRO 96 2HG PRO 96 125.906 21.255 4.001 687 HD2 PRO 96 1HD PRO 96 127.555 22.809 5.623 688 HD3 PRO 96 2HD PRO 96 126.632 23.408 4.229 689 H THR 97 H THR 97 123.925 23.853 8.789 690 HA THR 97 HA THR 97 125.142 21.678 10.396 691 HB THR 97 HB THR 97 125.764 23.350 12.056 692 HG1 THR 97 HG1 THR 97 125.015 25.354 10.235 693 HG21 THR 97 3HG2 THR 97 126.678 24.298 9.333 694 HG22 THR 97 1HG2 THR 97 127.275 22.823 10.093 695 HG23 THR 97 2HG2 THR 97 127.565 24.387 10.855 696 H TYR 98 H TYR 98 124.264 21.543 12.609 697 HA TYR 98 HA TYR 98 121.500 21.139 12.635 698 HB2 TYR 98 1HB TYR 98 123.085 20.073 14.186 699 HB3 TYR 98 2HB TYR 98 123.338 21.615 14.979 700 HD1 TYR 98 HD1 TYR 98 121.622 22.581 16.431 701 HD2 TYR 98 HD2 TYR 98 121.026 18.805 14.472 702 HE1 TYR 98 HE1 TYR 98 119.699 22.110 17.924 703 HE2 TYR 98 HE2 TYR 98 119.102 18.334 15.966 704 HH TYR 98 HH TYR 98 117.501 19.552 17.341 705 H LYS 99 H LYS 99 123.391 23.977 13.536 706 HA LYS 99 HA LYS 99 121.549 25.360 15.090 707 HB2 LYS 99 1HB LYS 99 123.912 26.041 14.691 708 HB3 LYS 99 2HB LYS 99 123.452 26.570 13.074 709 HG2 LYS 99 1HG LYS 99 121.788 28.122 14.085 710 HG3 LYS 99 2HG LYS 99 122.347 27.639 15.687 711 HD2 LYS 99 1HD LYS 99 124.657 28.378 15.042 712 HD3 LYS 99 2HD LYS 99 123.987 29.001 13.533 713 HE2 LYS 99 1HE LYS 99 122.339 30.317 15.022 714 HE3 LYS 99 2HE LYS 99 123.440 29.939 16.348 715 HZ1 LYS 99 3HZ LYS 99 124.917 31.416 15.624 716 HZ2 LYS 99 1HZ LYS 99 123.687 32.026 14.626 717 HZ3 LYS 99 2HZ LYS 99 124.795 30.893 14.011 718 H HIS 100 H HIS 100 121.778 25.147 11.560 719 HA HIS 100 HA HIS 100 119.102 26.408 11.397 720 HB2 HIS 100 1HB HIS 100 120.897 27.942 10.607 721 HB3 HIS 100 2HB HIS 100 121.354 26.742 9.414 722 HD1 HIS 100 HD1 HIS 100 118.169 28.607 10.413 723 HD2 HIS 100 HD2 HIS 100 120.124 27.214 7.006 724 HE1 HIS 100 HE1 HIS 100 116.767 29.336 8.435 725 H ASP 101 H ASP 101 117.710 24.901 10.773 726 HA ASP 101 HA ASP 101 118.021 23.457 8.345 727 HB2 ASP 101 1HB ASP 101 118.075 21.177 9.289 728 HB3 ASP 101 2HB ASP 101 119.538 22.081 9.655 729 H THR 102 H THR 102 116.215 21.744 8.153 730 HA THR 102 HA THR 102 113.813 22.679 9.620 731 HB THR 102 HB THR 102 113.933 21.657 6.772 732 HG1 THR 102 HG1 THR 102 113.768 23.762 6.185 733 HG21 THR 102 3HG2 THR 102 111.603 22.590 6.731 734 HG22 THR 102 1HG2 THR 102 111.729 22.858 8.470 735 HG23 THR 102 2HG2 THR 102 111.794 21.218 7.823 736 H SER 103 H SER 103 112.539 21.141 10.527 737 HA SER 103 HA SER 103 113.049 18.315 9.864 738 HB2 SER 103 1HB SER 103 114.408 18.904 11.860 739 HB3 SER 103 2HB SER 103 112.936 19.407 12.683 740 HG SER 103 HG SER 103 113.838 16.859 11.967 741 H ASP 104 H ASP 104 111.280 17.013 9.951 742 HA ASP 104 HA ASP 104 108.825 18.025 11.205 743 HB2 ASP 104 1HB ASP 104 108.766 18.668 8.795 744 HB3 ASP 104 2HB ASP 104 108.906 16.963 8.373 745 H TYR 105 H TYR 105 107.520 16.446 12.026 746 HA TYR 105 HA TYR 105 108.542 13.676 11.877 747 HB2 TYR 105 1HB TYR 105 108.594 14.657 14.104 748 HB3 TYR 105 2HB TYR 105 106.904 15.100 13.977 749 HD1 TYR 105 HD1 TYR 105 109.288 12.353 14.517 750 HD2 TYR 105 HD2 TYR 105 105.144 13.431 14.212 751 HE1 TYR 105 HE1 TYR 105 108.648 10.177 15.521 752 HE2 TYR 105 HE2 TYR 105 104.504 11.258 15.214 753 HH TYR 105 HH TYR 105 106.584 9.309 16.861 754 H GLY 106 H GLY 106 107.161 12.001 11.310 755 HA2 GLY 106 1HA GLY 106 104.292 12.621 11.029 756 HA3 GLY 106 2HA GLY 106 105.160 11.968 9.644 757 H PHE 107 H PHE 107 102.937 10.709 10.918 758 HA PHE 107 HA PHE 107 104.190 8.335 12.155 759 HB2 PHE 107 1HB PHE 107 101.299 9.189 11.916 760 HB3 PHE 107 2HB PHE 107 101.816 7.652 12.576 761 HD1 PHE 107 HD1 PHE 107 101.615 11.282 13.128 762 HD2 PHE 107 HD2 PHE 107 102.863 7.519 14.779 763 HE1 PHE 107 HE1 PHE 107 101.805 12.327 15.368 764 HE2 PHE 107 HE2 PHE 107 103.054 8.563 17.020 765 HZ PHE 107 HZ PHE 107 102.524 10.968 17.314 766 H SER 108 H SER 108 104.542 6.575 10.887 767 HA SER 108 HA SER 108 102.999 6.384 8.347 768 HB2 SER 108 1HB SER 108 105.748 5.272 8.947 769 HB3 SER 108 2HB SER 108 104.898 5.213 7.407 770 HG SER 108 HG SER 108 105.424 7.230 7.061 771 H TYR 109 H TYR 109 102.049 4.452 7.806 772 HA TYR 109 HA TYR 109 102.553 2.117 9.513 773 HB2 TYR 109 1HB TYR 109 100.229 1.715 9.942 774 HB3 TYR 109 2HB TYR 109 100.616 3.334 10.484 775 HD1 TYR 109 HD2 TYR 109 99.710 5.296 9.332 776 HD2 TYR 109 HD1 TYR 109 98.779 1.312 8.029 777 HE1 TYR 109 HE2 TYR 109 97.850 6.183 7.952 778 HE2 TYR 109 HE1 TYR 109 96.918 2.199 6.649 779 HH TYR 109 HH TYR 109 95.823 5.469 6.924 780 H GLY 110 H GLY 110 101.929 0.095 8.503 781 HA2 GLY 110 1HA GLY 110 100.970 0.163 5.766 782 HA3 GLY 110 2HA GLY 110 102.673 -0.249 5.918 783 H ALA 111 H ALA 111 101.244 -2.077 4.747 784 HA ALA 111 HA ALA 111 101.295 -4.290 6.653 785 HB1 ALA 111 1HB ALA 111 98.847 -3.499 5.072 786 HB2 ALA 111 2HB ALA 111 98.974 -3.799 6.806 787 HB3 ALA 111 3HB ALA 111 99.092 -5.141 5.667 788 H GLY 112 H GLY 112 101.661 -6.313 5.643 789 HA2 GLY 112 1HA GLY 112 102.038 -6.294 2.728 790 HA3 GLY 112 2HA GLY 112 103.438 -6.635 3.736 791 H LEU 113 H LEU 113 102.442 -8.395 1.823 792 HA LEU 113 HA LEU 113 101.499 -10.644 3.504 793 HB2 LEU 113 1HB LEU 113 100.898 -10.115 0.579 794 HB3 LEU 113 2HB LEU 113 100.466 -11.587 1.450 795 HG LEU 113 HG LEU 113 99.335 -9.898 3.136 796 HD11 LEU 113 1HD1 LEU 113 98.319 -8.029 1.588 797 HD12 LEU 113 2HD1 LEU 113 99.774 -8.302 0.628 798 HD13 LEU 113 3HD1 LEU 113 99.910 -7.790 2.309 799 HD21 LEU 113 3HD2 LEU 113 97.941 -10.211 0.485 800 HD22 LEU 113 1HD2 LEU 113 97.277 -10.370 2.111 801 HD23 LEU 113 2HD2 LEU 113 98.321 -11.632 1.458 802 H GLN 114 H GLN 114 102.518 -12.706 3.038 803 HA GLN 114 HA GLN 114 104.981 -12.466 1.412 804 HB2 GLN 114 1HB GLN 114 105.474 -11.987 3.822 805 HB3 GLN 114 2HB GLN 114 104.935 -13.624 4.201 806 HG2 GLN 114 1HG GLN 114 106.639 -14.557 2.705 807 HG3 GLN 114 2HG GLN 114 107.157 -12.935 2.261 808 HE21 GLN 114 1HE2 GLN 114 109.124 -14.530 3.304 809 HE22 GLN 114 2HE2 GLN 114 109.487 -14.083 4.901 810 H PHE 115 H PHE 115 105.598 -14.225 0.351 811 HA PHE 115 HA PHE 115 104.415 -16.834 1.067 812 HB2 PHE 115 1HB PHE 115 103.329 -15.913 -0.997 813 HB3 PHE 115 2HB PHE 115 104.911 -15.841 -1.749 814 HD1 PHE 115 HD1 PHE 115 102.298 -18.105 -0.417 815 HD2 PHE 115 HD2 PHE 115 105.957 -17.807 -2.645 816 HE1 PHE 115 HE1 PHE 115 102.034 -20.455 -1.162 817 HE2 PHE 115 HE2 PHE 115 105.694 -20.158 -3.391 818 HZ PHE 115 HZ PHE 115 103.732 -21.482 -2.649 819 H ASN 116 H ASN 116 106.108 -18.147 1.657 820 HA ASN 116 HA ASN 116 108.780 -17.422 0.596 821 HB2 ASN 116 1HB ASN 116 109.667 -17.546 2.883 822 HB3 ASN 116 2HB ASN 116 108.475 -16.262 2.694 823 HD21 ASN 116 1HD2 ASN 116 109.358 -18.642 4.820 824 HD22 ASN 116 2HD2 ASN 116 107.850 -18.959 5.534 825 HA PRO 117 HA PRO 117 109.680 -21.761 1.428 826 HB2 PRO 117 1HB PRO 117 111.347 -22.094 -0.772 827 HB3 PRO 117 2HB PRO 117 109.627 -22.513 -0.745 828 HG2 PRO 117 1HG PRO 117 110.908 -20.475 -2.253 829 HG3 PRO 117 2HG PRO 117 109.187 -20.880 -2.197 830 HD2 PRO 117 1HD PRO 117 110.640 -18.712 -0.787 831 HD3 PRO 117 2HD PRO 117 108.918 -18.824 -1.222 832 H MET 118 H MET 118 112.087 -22.661 1.571 833 HA MET 118 HA MET 118 113.581 -20.968 3.215 834 HB2 MET 118 1HB MET 118 114.475 -23.356 1.587 835 HB3 MET 118 2HB MET 118 115.445 -22.589 2.845 836 HG2 MET 118 1HG MET 118 113.608 -23.016 4.476 837 HG3 MET 118 2HG MET 118 112.722 -23.870 3.215 838 HE1 MET 118 3HE MET 118 112.483 -25.907 4.614 839 HE2 MET 118 1HE MET 118 113.390 -25.241 5.978 840 HE3 MET 118 2HE MET 118 113.779 -26.843 5.355 841 H GLU 119 H GLU 119 115.869 -20.273 2.792 842 HA GLU 119 HA GLU 119 117.482 -19.129 1.657 843 HB2 GLU 119 1HB GLU 119 116.218 -20.417 -0.773 844 HB3 GLU 119 2HB GLU 119 117.772 -19.589 -0.751 845 HG2 GLU 119 1HG GLU 119 118.567 -21.177 0.988 846 HG3 GLU 119 2HG GLU 119 117.038 -22.037 0.871 847 H ASN 120 H ASN 120 117.663 -17.674 -0.516 848 HA ASN 120 HA ASN 120 116.370 -15.289 0.146 849 HB2 ASN 120 1HB ASN 120 117.830 -16.097 -2.367 850 HB3 ASN 120 2HB ASN 120 117.340 -14.449 -1.987 851 HD21 ASN 120 1HD2 ASN 120 120.098 -15.156 -2.297 852 HD22 ASN 120 2HD2 ASN 120 120.860 -14.999 -0.787 853 H VAL 121 H VAL 121 115.015 -17.869 -1.549 854 HA VAL 121 HA VAL 121 113.739 -16.390 -3.646 855 HB VAL 121 HB VAL 121 112.637 -18.551 -4.164 856 HG11 VAL 121 1HG1 VAL 121 114.796 -18.065 -5.148 857 HG12 VAL 121 2HG1 VAL 121 114.791 -19.758 -4.651 858 HG13 VAL 121 3HG1 VAL 121 115.626 -18.552 -3.671 859 HG21 VAL 121 3HG2 VAL 121 112.922 -20.458 -2.841 860 HG22 VAL 121 1HG2 VAL 121 112.734 -19.203 -1.618 861 HG23 VAL 121 2HG2 VAL 121 114.342 -19.801 -2.027 862 H ALA 122 H ALA 122 112.990 -15.869 -0.631 863 HA ALA 122 HA ALA 122 110.085 -16.347 -0.889 864 HB1 ALA 122 1HB ALA 122 110.173 -15.546 1.564 865 HB2 ALA 122 2HB ALA 122 111.921 -15.736 1.426 866 HB3 ALA 122 3HB ALA 122 110.863 -17.130 1.204 867 H LEU 123 H LEU 123 108.628 -14.622 -0.898 868 HA LEU 123 HA LEU 123 109.880 -11.986 -1.430 869 HB2 LEU 123 1HB LEU 123 107.486 -13.207 -2.820 870 HB3 LEU 123 2HB LEU 123 108.211 -11.641 -3.176 871 HG LEU 123 HG LEU 123 109.652 -14.299 -3.417 872 HD11 LEU 123 1HD1 LEU 123 108.214 -12.545 -5.407 873 HD12 LEU 123 2HD1 LEU 123 108.073 -14.288 -5.175 874 HD13 LEU 123 3HD1 LEU 123 109.524 -13.612 -5.914 875 HD21 LEU 123 3HD2 LEU 123 110.387 -11.421 -3.958 876 HD22 LEU 123 1HD2 LEU 123 111.203 -12.741 -4.796 877 HD23 LEU 123 2HD2 LEU 123 111.285 -12.629 -3.037 878 H ASP 124 H ASP 124 108.887 -10.182 -0.638 879 HA ASP 124 HA ASP 124 106.236 -10.487 0.634 880 HB2 ASP 124 1HB ASP 124 107.997 -10.580 2.381 881 HB3 ASP 124 2HB ASP 124 108.592 -9.013 1.840 882 H PHE 125 H PHE 125 104.848 -8.808 0.249 883 HA PHE 125 HA PHE 125 105.960 -6.383 -1.056 884 HB2 PHE 125 1HB PHE 125 103.381 -7.813 -1.719 885 HB3 PHE 125 2HB PHE 125 103.903 -6.288 -2.409 886 HD1 PHE 125 HD1 PHE 125 104.411 -9.927 -2.349 887 HD2 PHE 125 HD2 PHE 125 105.709 -6.207 -4.060 888 HE1 PHE 125 HE1 PHE 125 105.623 -11.165 -4.123 889 HE2 PHE 125 HE2 PHE 125 106.922 -7.445 -5.834 890 HZ PHE 125 HZ PHE 125 106.878 -9.925 -5.866 891 H SER 126 H SER 126 105.211 -4.442 -0.244 892 HA SER 126 HA SER 126 102.967 -4.538 1.662 893 HB2 SER 126 1HB SER 126 105.677 -3.377 2.333 894 HB3 SER 126 2HB SER 126 104.244 -3.321 3.352 895 HG SER 126 HG SER 126 104.784 -5.239 4.002 896 H TYR 127 H TYR 127 101.962 -2.549 2.056 897 HA TYR 127 HA TYR 127 102.841 -0.282 0.363 898 HB2 TYR 127 1HB TYR 127 100.538 0.367 0.112 899 HB3 TYR 127 2HB TYR 127 100.705 -1.303 -0.389 900 HD1 TYR 127 HD2 TYR 127 99.699 -3.114 0.918 901 HD2 TYR 127 HD1 TYR 127 99.309 0.992 2.118 902 HE1 TYR 127 HE2 TYR 127 97.885 -3.744 2.485 903 HE2 TYR 127 HE1 TYR 127 97.494 0.361 3.686 904 HH TYR 127 HH TYR 127 96.569 -3.040 4.150 905 H GLU 128 H GLU 128 102.884 1.740 1.345 906 HA GLU 128 HA GLU 128 102.384 1.785 4.263 907 HB2 GLU 128 1HB GLU 128 104.813 1.403 3.691 908 HB3 GLU 128 2HB GLU 128 104.808 2.985 2.914 909 HG2 GLU 128 1HG GLU 128 104.071 4.009 5.053 910 HG3 GLU 128 2HG GLU 128 104.163 2.430 5.821 911 H GLN 129 H GLN 129 101.644 3.704 5.076 912 HA GLN 129 HA GLN 129 101.055 5.837 3.115 913 HB2 GLN 129 1HB GLN 129 99.258 4.554 5.170 914 HB3 GLN 129 2HB GLN 129 98.919 6.147 4.494 915 HG2 GLN 129 1HG GLN 129 99.339 3.643 2.837 916 HG3 GLN 129 2HG GLN 129 97.760 4.298 3.268 917 HE21 GLN 129 1HE2 GLN 129 99.693 4.189 0.665 918 HE22 GLN 129 2HE2 GLN 129 99.423 5.728 0.004 919 H SER 130 H SER 130 101.556 7.802 3.687 920 HA SER 130 HA SER 130 102.111 8.447 6.509 921 HB2 SER 130 1HB SER 130 102.647 10.189 4.092 922 HB3 SER 130 2HB SER 130 103.261 10.400 5.726 923 HG SER 130 HG SER 130 103.771 8.123 4.107 924 H ARG 131 H ARG 131 101.039 10.358 7.391 925 HA ARG 131 HA ARG 131 98.238 9.930 6.687 926 HB2 ARG 131 1HB ARG 131 99.066 9.526 9.007 927 HB3 ARG 131 2HB ARG 131 99.445 11.243 9.136 928 HG2 ARG 131 1HG ARG 131 97.059 11.779 8.669 929 HG3 ARG 131 2HG ARG 131 96.701 10.050 8.651 930 HD2 ARG 131 1HD ARG 131 97.876 11.571 10.995 931 HD3 ARG 131 2HD ARG 131 96.198 11.056 10.854 932 HE ARG 131 HE ARG 131 98.075 8.889 10.559 933 HH11 ARG 131 1HH1 ARG 131 96.320 10.799 12.924 934 HH12 ARG 131 2HH1 ARG 131 96.389 9.553 14.126 935 HH21 ARG 131 1HH2 ARG 131 98.134 7.325 12.144 936 HH22 ARG 131 2HH2 ARG 131 97.404 7.612 13.689 937 H ILE 132 H ILE 132 96.693 11.840 6.762 938 HA ILE 132 HA ILE 132 97.971 13.115 4.485 939 HB ILE 132 HB ILE 132 95.035 12.895 5.195 940 HG12 ILE 132 1HG1 ILE 132 96.664 11.251 3.236 941 HG13 ILE 132 2HG1 ILE 132 96.246 10.704 4.860 942 HG21 ILE 132 1HG2 ILE 132 94.678 13.391 2.807 943 HG22 ILE 132 2HG2 ILE 132 96.418 13.552 2.573 944 HG23 ILE 132 3HG2 ILE 132 95.555 14.708 3.585 945 HD11 ILE 132 3HD1 ILE 132 94.602 9.816 3.317 946 HD12 ILE 132 1HD1 ILE 132 94.316 11.418 2.633 947 HD13 ILE 132 2HD1 ILE 132 93.828 11.065 4.291 948 H ARG 133 H ARG 133 99.034 14.785 5.470 949 HA ARG 133 HA ARG 133 97.481 17.207 5.963 950 HB2 ARG 133 1HB ARG 133 100.005 16.482 6.690 951 HB3 ARG 133 2HB ARG 133 100.358 17.327 5.188 952 HG2 ARG 133 1HG ARG 133 99.211 19.332 6.010 953 HG3 ARG 133 2HG ARG 133 98.737 18.480 7.477 954 HD2 ARG 133 1HD ARG 133 100.679 19.798 8.008 955 HD3 ARG 133 2HD ARG 133 101.182 18.111 7.955 956 HE ARG 133 HE ARG 133 101.699 18.898 5.442 957 HH11 ARG 133 1HH1 ARG 133 102.484 20.446 8.493 958 HH12 ARG 133 2HH1 ARG 133 103.904 21.207 7.856 959 HH21 ARG 133 1HH2 ARG 133 103.539 19.904 4.680 960 HH22 ARG 133 2HH2 ARG 133 104.492 20.903 5.724 961 H SER 134 H SER 134 98.508 19.062 4.238 962 HA SER 134 HA SER 134 97.070 18.654 1.909 963 HB2 SER 134 1HB SER 134 98.189 20.608 1.022 964 HB3 SER 134 2HB SER 134 97.891 20.848 2.740 965 HG SER 134 HG SER 134 100.033 21.395 2.162 966 H VAL 135 H VAL 135 100.202 17.320 2.632 967 HA VAL 135 HA VAL 135 100.258 16.246 -0.129 968 HB VAL 135 HB VAL 135 102.666 15.826 0.218 969 HG11 VAL 135 1HG1 VAL 135 103.384 18.185 0.114 970 HG12 VAL 135 2HG1 VAL 135 101.818 18.689 0.750 971 HG13 VAL 135 3HG1 VAL 135 101.921 17.928 -0.836 972 HG21 VAL 135 3HG2 VAL 135 103.745 16.993 2.187 973 HG22 VAL 135 1HG2 VAL 135 102.762 15.597 2.625 974 HG23 VAL 135 2HG2 VAL 135 102.131 17.226 2.857 975 H ASP 136 H ASP 136 99.934 14.110 -0.335 976 HA ASP 136 HA ASP 136 99.931 12.444 2.117 977 HB2 ASP 136 1HB ASP 136 97.696 12.798 1.087 978 HB3 ASP 136 2HB ASP 136 98.294 12.080 -0.404 979 H VAL 137 H VAL 137 100.958 10.410 2.052 980 HA VAL 137 HA VAL 137 102.739 10.090 -0.315 981 HB VAL 137 HB VAL 137 103.235 9.018 2.460 982 HG11 VAL 137 1HG1 VAL 137 104.932 9.303 -0.031 983 HG12 VAL 137 2HG1 VAL 137 104.413 7.801 0.737 984 HG13 VAL 137 3HG1 VAL 137 105.572 8.854 1.551 985 HG21 VAL 137 3HG2 VAL 137 104.848 10.866 2.708 986 HG22 VAL 137 1HG2 VAL 137 103.223 11.505 2.471 987 HG23 VAL 137 2HG2 VAL 137 104.374 11.505 1.134 988 H GLY 138 H GLY 138 102.671 8.278 -1.484 989 HA2 GLY 138 1HA GLY 138 101.441 5.860 -0.284 990 HA3 GLY 138 2HA GLY 138 101.192 6.303 -1.974 991 H THR 139 H THR 139 102.915 4.233 -0.090 992 HA THR 139 HA THR 139 105.197 4.201 -1.983 993 HB THR 139 HB THR 139 105.326 3.495 0.952 994 HG1 THR 139 HG1 THR 139 106.109 5.802 -0.491 995 HG21 THR 139 3HG2 THR 139 107.758 3.493 0.530 996 HG22 THR 139 1HG2 THR 139 107.459 3.832 -1.174 997 HG23 THR 139 2HG2 THR 139 106.934 2.300 -0.474 998 H TRP 140 H TRP 140 105.599 2.309 -2.948 999 HA TRP 140 HA TRP 140 104.364 -0.149 -1.821 1000 HB2 TRP 140 1HB TRP 140 103.370 0.624 -3.993 1001 HB3 TRP 140 2HB TRP 140 104.950 0.436 -4.728 1002 HD1 TRP 140 HD1 TRP 140 105.790 -2.004 -5.235 1003 HE1 TRP 140 HE1 TRP 140 104.585 -4.280 -5.316 1004 HE3 TRP 140 HE3 TRP 140 101.439 -0.778 -2.863 1005 HZ2 TRP 140 HZ2 TRP 140 102.096 -5.430 -4.483 1006 HZ3 TRP 140 HZ3 TRP 140 99.672 -2.476 -2.523 1007 HH2 TRP 140 HH2 TRP 140 99.992 -4.799 -3.327 1008 H ILE 141 H ILE 141 105.790 -1.821 -1.405 1009 HA ILE 141 HA ILE 141 108.563 -1.490 -2.395 1010 HB ILE 141 HB ILE 141 108.382 -0.581 -0.111 1011 HG12 ILE 141 1HG1 ILE 141 109.825 -3.240 -0.044 1012 HG13 ILE 141 2HG1 ILE 141 110.425 -1.850 -0.952 1013 HG21 ILE 141 1HG2 ILE 141 107.435 -3.376 0.569 1014 HG22 ILE 141 2HG2 ILE 141 106.510 -1.882 0.727 1015 HG23 ILE 141 3HG2 ILE 141 107.913 -2.164 1.759 1016 HD11 ILE 141 3HD1 ILE 141 110.145 -2.187 2.020 1017 HD12 ILE 141 1HD1 ILE 141 110.083 -0.570 1.316 1018 HD13 ILE 141 2HD1 ILE 141 111.516 -1.574 1.094 1019 H ALA 142 H ALA 142 109.692 -3.350 -2.803 1020 HA ALA 142 HA ALA 142 108.364 -5.926 -2.206 1021 HB1 ALA 142 1HB ALA 142 109.906 -5.441 -4.754 1022 HB2 ALA 142 2HB ALA 142 108.169 -5.144 -4.660 1023 HB3 ALA 142 3HB ALA 142 108.806 -6.765 -4.373 1024 H GLY 143 H GLY 143 109.718 -7.433 -1.338 1025 HA2 GLY 143 1HA GLY 143 112.620 -6.862 -1.361 1026 HA3 GLY 143 2HA GLY 143 111.778 -7.080 0.167 1027 H VAL 144 H VAL 144 113.961 -8.626 -0.886 1028 HA VAL 144 HA VAL 144 112.684 -11.288 -1.110 1029 HB VAL 144 HB VAL 144 114.755 -12.011 -2.278 1030 HG11 VAL 144 1HG1 VAL 144 114.364 -10.405 -4.343 1031 HG12 VAL 144 2HG1 VAL 144 113.016 -9.819 -3.365 1032 HG13 VAL 144 3HG1 VAL 144 113.099 -11.518 -3.827 1033 HG21 VAL 144 3HG2 VAL 144 116.337 -10.394 -1.381 1034 HG22 VAL 144 1HG2 VAL 144 115.432 -9.058 -2.093 1035 HG23 VAL 144 2HG2 VAL 144 116.278 -10.203 -3.134 1036 H GLY 145 H GLY 145 113.395 -12.841 0.338 1037 HA2 GLY 145 1HA GLY 145 115.692 -12.270 2.045 1038 HA3 GLY 145 2HA GLY 145 114.126 -12.286 2.841 1039 H TYR 146 H TYR 146 115.734 -13.967 3.877 1040 HA TYR 146 HA TYR 146 114.792 -16.597 2.985 1041 HB2 TYR 146 1HB TYR 146 116.965 -17.591 3.156 1042 HB3 TYR 146 2HB TYR 146 117.075 -16.229 2.060 1043 HD1 TYR 146 HD1 TYR 146 118.218 -14.137 2.777 1044 HD2 TYR 146 HD2 TYR 146 118.160 -17.661 5.234 1045 HE1 TYR 146 HE1 TYR 146 120.085 -13.224 4.132 1046 HE2 TYR 146 HE2 TYR 146 120.027 -16.747 6.588 1047 HH TYR 146 HH TYR 146 121.814 -15.141 6.403 1048 H ARG 147 H ARG 147 115.046 -18.241 4.704 1049 HA ARG 147 HA ARG 147 114.927 -17.018 7.405 1050 HB2 ARG 147 1HB ARG 147 112.711 -17.767 6.527 1051 HB3 ARG 147 2HB ARG 147 113.354 -19.405 6.408 1052 HG2 ARG 147 1HG ARG 147 113.797 -19.442 8.813 1053 HG3 ARG 147 2HG ARG 147 113.243 -17.773 8.961 1054 HD2 ARG 147 1HD ARG 147 111.415 -19.197 9.621 1055 HD3 ARG 147 2HD ARG 147 111.016 -18.514 8.047 1056 HE ARG 147 HE ARG 147 112.356 -21.048 7.835 1057 HH11 ARG 147 1HH1 ARG 147 109.212 -19.584 8.379 1058 HH12 ARG 147 2HH1 ARG 147 108.354 -20.975 7.806 1059 HH21 ARG 147 1HH2 ARG 147 111.198 -22.809 7.109 1060 HH22 ARG 147 2HH2 ARG 147 109.465 -22.779 7.098 1061 H PHE 148 H PHE 148 115.872 -18.140 9.089 1062 HA PHE 148 HA PHE 148 117.906 -20.072 8.297 1063 HB2 PHE 148 1HB PHE 148 118.429 -18.162 9.804 1064 HB3 PHE 148 2HB PHE 148 117.341 -18.845 10.998 1065 HD1 PHE 148 HD1 PHE 148 120.550 -19.291 9.215 1066 HD2 PHE 148 HD2 PHE 148 117.994 -20.736 12.350 1067 HE1 PHE 148 HE1 PHE 148 122.412 -20.672 10.097 1068 HE2 PHE 148 HE2 PHE 148 119.856 -22.116 13.234 1069 HZ PHE 148 HZ PHE 148 122.064 -22.084 12.107 Start of MODEL 14 1 H1 ALA 1 3H ALA 1 116.012 -21.284 17.453 2 H2 ALA 1 2H ALA 1 116.989 -20.275 18.410 3 H3 ALA 1 HT3 ALA 1 117.345 -20.493 16.764 4 HA ALA 1 HA ALA 1 114.678 -19.515 17.285 5 HB1 ALA 1 2HB ALA 1 116.053 -18.369 19.051 6 HB2 ALA 1 3HB ALA 1 115.374 -17.262 17.858 7 HB3 ALA 1 1HB ALA 1 117.075 -17.722 17.767 8 H THR 2 H THR 2 114.156 -19.712 15.177 9 HA THR 2 HA THR 2 116.039 -19.065 13.071 10 HB THR 2 HB THR 2 113.096 -19.738 12.868 11 HG1 THR 2 HG1 THR 2 115.229 -21.507 12.416 12 HG21 THR 2 3HG2 THR 2 113.702 -18.887 10.783 13 HG22 THR 2 1HG2 THR 2 114.064 -20.603 10.584 14 HG23 THR 2 2HG2 THR 2 115.364 -19.460 10.921 15 H SER 3 H SER 3 115.980 -17.316 11.719 16 HA SER 3 HA SER 3 113.910 -15.274 12.124 17 HB2 SER 3 1HB SER 3 116.886 -14.723 12.257 18 HB3 SER 3 2HB SER 3 115.617 -13.502 12.259 19 HG SER 3 HG SER 3 116.261 -15.443 14.204 20 H THR 4 H THR 4 113.759 -13.754 10.372 21 HA THR 4 HA THR 4 115.052 -14.671 7.867 22 HB THR 4 HB THR 4 112.285 -13.479 8.161 23 HG1 THR 4 HG1 THR 4 111.570 -15.558 7.867 24 HG21 THR 4 3HG2 THR 4 113.551 -13.128 5.994 25 HG22 THR 4 1HG2 THR 4 112.033 -14.011 5.832 26 HG23 THR 4 2HG2 THR 4 113.566 -14.881 5.805 27 H VAL 5 H VAL 5 115.900 -13.144 6.548 28 HA VAL 5 HA VAL 5 115.706 -10.311 7.430 29 HB VAL 5 HB VAL 5 118.088 -11.673 6.139 30 HG11 VAL 5 1HG1 VAL 5 117.715 -8.897 7.307 31 HG12 VAL 5 2HG1 VAL 5 117.888 -9.280 5.595 32 HG13 VAL 5 3HG1 VAL 5 119.237 -9.551 6.699 33 HG21 VAL 5 3HG2 VAL 5 117.926 -12.482 8.394 34 HG22 VAL 5 1HG2 VAL 5 117.498 -10.883 9.002 35 HG23 VAL 5 2HG2 VAL 5 119.130 -11.193 8.415 36 H THR 6 H THR 6 114.999 -8.897 5.912 37 HA THR 6 HA THR 6 114.922 -9.819 3.095 38 HB THR 6 HB THR 6 112.706 -8.329 4.514 39 HG1 THR 6 HG1 THR 6 111.735 -10.232 4.738 40 HG21 THR 6 3HG2 THR 6 112.778 -9.695 1.812 41 HG22 THR 6 1HG2 THR 6 112.970 -7.960 2.049 42 HG23 THR 6 2HG2 THR 6 111.452 -8.746 2.481 43 H GLY 7 H GLY 7 115.355 -8.323 1.561 44 HA2 GLY 7 1HA GLY 7 115.574 -5.488 2.385 45 HA3 GLY 7 2HA GLY 7 116.830 -6.248 1.402 46 H GLY 8 H GLY 8 114.786 -4.019 0.830 47 HA2 GLY 8 1HA GLY 8 113.986 -5.022 -1.784 48 HA3 GLY 8 2HA GLY 8 112.659 -4.677 -0.686 49 H TYR 9 H TYR 9 112.368 -3.295 -2.746 50 HA TYR 9 HA TYR 9 113.598 -0.633 -2.315 51 HB2 TYR 9 1HB TYR 9 114.420 -1.732 -4.382 52 HB3 TYR 9 2HB TYR 9 112.765 -1.869 -4.944 53 HD1 TYR 9 HD1 TYR 9 111.530 0.097 -5.716 54 HD2 TYR 9 HD2 TYR 9 115.584 0.409 -4.331 55 HE1 TYR 9 HE1 TYR 9 111.696 2.361 -6.712 56 HE2 TYR 9 HE2 TYR 9 115.751 2.673 -5.328 57 HH TYR 9 HH TYR 9 113.445 4.549 -6.018 58 H ALA 10 H ALA 10 112.229 1.079 -2.306 59 HA ALA 10 HA ALA 10 109.343 0.525 -2.665 60 HB1 ALA 10 1HB ALA 10 110.494 2.589 -0.793 61 HB2 ALA 10 2HB ALA 10 110.215 0.926 -0.284 62 HB3 ALA 10 3HB ALA 10 108.863 1.922 -0.817 63 H GLN 11 H GLN 11 108.193 1.929 -3.901 64 HA GLN 11 HA GLN 11 109.532 4.435 -4.777 65 HB2 GLN 11 1HB GLN 11 109.437 2.707 -6.593 66 HB3 GLN 11 2HB GLN 11 107.679 2.707 -6.442 67 HG2 GLN 11 1HG GLN 11 108.124 4.219 -8.212 68 HG3 GLN 11 2HG GLN 11 107.816 5.248 -6.815 69 HE21 GLN 11 1HE2 GLN 11 109.322 6.904 -6.643 70 HE22 GLN 11 2HE2 GLN 11 110.945 6.800 -7.123 71 H SER 12 H SER 12 108.310 6.258 -4.478 72 HA SER 12 HA SER 12 105.515 5.849 -3.561 73 HB2 SER 12 1HB SER 12 105.795 7.711 -2.082 74 HB3 SER 12 2HB SER 12 107.181 6.653 -1.840 75 HG SER 12 HG SER 12 107.812 8.835 -2.085 76 H ASP 13 H ASP 13 103.943 7.250 -4.260 77 HA ASP 13 HA ASP 13 104.396 8.222 -6.939 78 HB2 ASP 13 1HB ASP 13 102.340 6.991 -6.276 79 HB3 ASP 13 2HB ASP 13 101.891 8.350 -5.248 80 H ALA 14 H ALA 14 104.725 10.225 -7.581 81 HA ALA 14 HA ALA 14 104.614 12.388 -5.582 82 HB1 ALA 14 1HB ALA 14 106.016 13.525 -7.522 83 HB2 ALA 14 2HB ALA 14 106.319 11.847 -7.973 84 HB3 ALA 14 3HB ALA 14 106.774 12.426 -6.371 85 H GLN 15 H GLN 15 103.509 14.242 -5.949 86 HA GLN 15 HA GLN 15 101.527 14.231 -8.095 87 HB2 GLN 15 1HB GLN 15 101.966 16.111 -5.759 88 HB3 GLN 15 2HB GLN 15 100.644 16.241 -6.918 89 HG2 GLN 15 1HG GLN 15 99.830 14.023 -6.291 90 HG3 GLN 15 2HG GLN 15 101.187 13.813 -5.188 91 HE21 GLN 15 1HE2 GLN 15 98.475 13.692 -4.270 92 HE22 GLN 15 2HE2 GLN 15 98.196 15.026 -3.257 93 H GLY 16 H GLY 16 101.268 16.110 -9.498 94 HA2 GLY 16 1HA GLY 16 103.542 16.598 -10.979 95 HA3 GLY 16 2HA GLY 16 102.099 17.602 -11.044 96 H GLN 17 H GLN 17 104.801 18.437 -11.356 97 HA GLN 17 HA GLN 17 106.106 20.234 -10.844 98 HB2 GLN 17 1HB GLN 17 104.109 21.312 -9.756 99 HB3 GLN 17 2HB GLN 17 104.633 20.587 -8.236 100 HG2 GLN 17 1HG GLN 17 106.859 21.694 -8.534 101 HG3 GLN 17 2HG GLN 17 106.210 22.522 -9.950 102 HE21 GLN 17 1HE2 GLN 17 105.543 24.602 -9.440 103 HE22 GLN 17 2HE2 GLN 17 104.854 25.072 -7.961 104 H MET 18 H MET 18 105.518 17.713 -8.476 105 HA MET 18 HA MET 18 108.351 17.905 -7.649 106 HB2 MET 18 1HB MET 18 105.992 16.602 -6.268 107 HB3 MET 18 2HB MET 18 107.658 16.533 -5.696 108 HG2 MET 18 1HG MET 18 107.675 19.049 -5.658 109 HG3 MET 18 2HG MET 18 105.952 19.013 -6.027 110 HE1 MET 18 3HE MET 18 108.785 18.143 -3.947 111 HE2 MET 18 1HE MET 18 108.112 16.614 -3.370 112 HE3 MET 18 2HE MET 18 108.229 17.994 -2.282 113 H ASN 19 H ASN 19 109.410 15.774 -7.266 114 HA ASN 19 HA ASN 19 108.635 13.890 -9.408 115 HB2 ASN 19 1HB ASN 19 110.990 13.204 -9.406 116 HB3 ASN 19 2HB ASN 19 110.835 14.938 -9.680 117 HD21 ASN 19 1HD2 ASN 19 112.413 16.048 -8.532 118 HD22 ASN 19 2HD2 ASN 19 112.963 15.635 -6.980 119 H LYS 20 H LYS 20 109.041 11.606 -9.037 120 HA LYS 20 HA LYS 20 107.896 10.670 -6.623 121 HB2 LYS 20 1HB LYS 20 109.478 9.148 -8.708 122 HB3 LYS 20 2HB LYS 20 108.441 8.430 -7.473 123 HG2 LYS 20 1HG LYS 20 106.532 9.804 -8.415 124 HG3 LYS 20 2HG LYS 20 107.595 10.231 -9.757 125 HD2 LYS 20 1HD LYS 20 106.892 7.391 -8.958 126 HD3 LYS 20 2HD LYS 20 106.128 8.278 -10.276 127 HE2 LYS 20 1HE LYS 20 108.604 8.643 -11.087 128 HE3 LYS 20 2HE LYS 20 108.937 7.234 -10.079 129 HZ1 LYS 20 3HZ LYS 20 107.929 7.239 -12.642 130 HZ2 LYS 20 1HZ LYS 20 106.612 6.832 -11.654 131 HZ3 LYS 20 2HZ LYS 20 108.038 5.909 -11.589 132 H MET 21 H MET 21 109.010 8.934 -5.255 133 HA MET 21 HA MET 21 111.821 9.732 -4.704 134 HB2 MET 21 1HB MET 21 109.612 9.354 -2.669 135 HB3 MET 21 2HB MET 21 111.316 9.593 -2.283 136 HG2 MET 21 1HG MET 21 111.263 11.759 -3.506 137 HG3 MET 21 2HG MET 21 109.537 11.532 -3.788 138 HE1 MET 21 3HE MET 21 110.520 14.030 -2.674 139 HE2 MET 21 1HE MET 21 109.663 14.366 -1.165 140 HE3 MET 21 2HE MET 21 108.780 13.773 -2.570 141 H GLY 22 H GLY 22 113.102 8.119 -3.613 142 HA2 GLY 22 1HA GLY 22 112.015 5.369 -3.914 143 HA3 GLY 22 2HA GLY 22 113.631 5.805 -4.465 144 H GLY 23 H GLY 23 112.745 3.848 -2.406 145 HA2 GLY 23 1HA GLY 23 114.472 4.816 -0.231 146 HA3 GLY 23 2HA GLY 23 112.854 4.256 0.170 147 H PHE 24 H PHE 24 115.631 3.242 0.814 148 HA PHE 24 HA PHE 24 115.321 0.472 -0.198 149 HB2 PHE 24 1HB PHE 24 117.719 1.844 1.031 150 HB3 PHE 24 2HB PHE 24 117.663 0.160 0.547 151 HD1 PHE 24 HD1 PHE 24 117.517 -0.448 -1.861 152 HD2 PHE 24 HD2 PHE 24 118.001 3.618 -0.562 153 HE1 PHE 24 HE1 PHE 24 118.223 0.199 -4.149 154 HE2 PHE 24 HE2 PHE 24 118.708 4.265 -2.850 155 HZ PHE 24 HZ PHE 24 118.819 2.556 -4.643 156 H ASN 25 H ASN 25 114.891 -1.153 1.272 157 HA ASN 25 HA ASN 25 114.685 -0.330 4.118 158 HB2 ASN 25 1HB ASN 25 112.482 -0.341 2.880 159 HB3 ASN 25 2HB ASN 25 112.693 -2.078 2.669 160 HD21 ASN 25 1HD2 ASN 25 110.772 -2.441 4.055 161 HD22 ASN 25 2HD2 ASN 25 110.895 -2.276 5.741 162 H LEU 26 H LEU 26 115.438 -1.739 5.581 163 HA LEU 26 HA LEU 26 115.853 -4.558 4.762 164 HB2 LEU 26 1HB LEU 26 118.019 -3.278 4.820 165 HB3 LEU 26 2HB LEU 26 117.726 -2.969 6.531 166 HG LEU 26 HG LEU 26 117.436 -5.552 6.709 167 HD11 LEU 26 1HD1 LEU 26 117.423 -6.315 4.502 168 HD12 LEU 26 2HD1 LEU 26 119.107 -6.576 4.952 169 HD13 LEU 26 3HD1 LEU 26 118.659 -5.166 3.992 170 HD21 LEU 26 3HD2 LEU 26 120.031 -4.063 6.301 171 HD22 LEU 26 1HD2 LEU 26 120.019 -5.767 6.756 172 HD23 LEU 26 2HD2 LEU 26 119.281 -4.565 7.816 173 H LYS 27 H LYS 27 115.174 -6.066 6.299 174 HA LYS 27 HA LYS 27 114.360 -5.029 8.927 175 HB2 LYS 27 1HB LYS 27 112.133 -5.916 8.749 176 HB3 LYS 27 2HB LYS 27 112.423 -4.850 7.379 177 HG2 LYS 27 1HG LYS 27 112.959 -6.853 5.987 178 HG3 LYS 27 2HG LYS 27 112.525 -7.881 7.355 179 HD2 LYS 27 1HD LYS 27 110.274 -6.680 7.371 180 HD3 LYS 27 2HD LYS 27 110.728 -6.003 5.808 181 HE2 LYS 27 1HE LYS 27 110.636 -8.058 4.733 182 HE3 LYS 27 2HE LYS 27 110.960 -8.964 6.211 183 HZ1 LYS 27 3HZ LYS 27 108.721 -8.133 6.988 184 HZ2 LYS 27 1HZ LYS 27 108.706 -9.299 5.755 185 HZ3 LYS 27 2HZ LYS 27 108.438 -7.664 5.379 186 H TYR 28 H TYR 28 114.031 -6.574 10.538 187 HA TYR 28 HA TYR 28 115.067 -9.287 9.958 188 HB2 TYR 28 1HB TYR 28 115.375 -7.688 12.506 189 HB3 TYR 28 2HB TYR 28 115.950 -9.323 12.244 190 HD1 TYR 28 HD1 TYR 28 117.785 -9.732 10.558 191 HD2 TYR 28 HD2 TYR 28 116.618 -5.791 11.808 192 HE1 TYR 28 HE1 TYR 28 119.925 -8.823 9.690 193 HE2 TYR 28 HE2 TYR 28 118.756 -4.883 10.942 194 HH TYR 28 HH TYR 28 120.892 -6.767 8.977 195 H ARG 29 H ARG 29 113.914 -10.989 10.831 196 HA ARG 29 HA ARG 29 111.433 -10.319 12.294 197 HB2 ARG 29 1HB ARG 29 111.683 -12.118 9.872 198 HB3 ARG 29 2HB ARG 29 110.236 -11.963 10.869 199 HG2 ARG 29 1HG ARG 29 110.124 -9.561 10.360 200 HG3 ARG 29 2HG ARG 29 111.584 -9.690 9.381 201 HD2 ARG 29 1HD ARG 29 109.711 -9.763 7.875 202 HD3 ARG 29 2HD ARG 29 110.377 -11.387 7.958 203 HE ARG 29 HE ARG 29 107.818 -10.480 9.053 204 HH11 ARG 29 1HH1 ARG 29 110.149 -13.103 8.831 205 HH12 ARG 29 2HH1 ARG 29 108.980 -14.303 9.263 206 HH21 ARG 29 1HH2 ARG 29 106.367 -12.075 9.609 207 HH22 ARG 29 2HH2 ARG 29 106.869 -13.729 9.700 208 H TYR 30 H TYR 30 110.765 -11.822 13.810 209 HA TYR 30 HA TYR 30 112.558 -14.143 14.220 210 HB2 TYR 30 1HB TYR 30 110.621 -12.778 16.096 211 HB3 TYR 30 2HB TYR 30 111.571 -14.198 16.493 212 HD1 TYR 30 HD1 TYR 30 111.637 -10.571 15.894 213 HD2 TYR 30 HD2 TYR 30 113.981 -14.035 16.874 214 HE1 TYR 30 HE1 TYR 30 113.504 -9.104 16.610 215 HE2 TYR 30 HE2 TYR 30 115.850 -12.568 17.587 216 HH TYR 30 HH TYR 30 116.366 -9.721 16.767 217 H GLU 31 H GLU 31 111.735 -16.210 14.274 218 HA GLU 31 HA GLU 31 109.053 -16.520 13.142 219 HB2 GLU 31 1HB GLU 31 111.016 -17.744 12.176 220 HB3 GLU 31 2HB GLU 31 111.136 -18.648 13.687 221 HG2 GLU 31 1HG GLU 31 108.780 -19.401 13.385 222 HG3 GLU 31 2HG GLU 31 108.737 -18.573 11.834 223 H GLU 32 H GLU 32 107.357 -17.014 14.325 224 HA GLU 32 HA GLU 32 107.661 -18.484 16.830 225 HB2 GLU 32 1HB GLU 32 106.408 -15.736 16.674 226 HB3 GLU 32 2HB GLU 32 106.325 -16.808 18.074 227 HG2 GLU 32 1HG GLU 32 108.822 -16.861 18.125 228 HG3 GLU 32 2HG GLU 32 108.844 -15.688 16.817 229 H ASP 33 H ASP 33 105.685 -19.324 17.657 230 HA ASP 33 HA ASP 33 104.020 -20.302 15.536 231 HB2 ASP 33 1HB ASP 33 103.866 -20.688 18.534 232 HB3 ASP 33 2HB ASP 33 102.898 -21.567 17.353 233 H ASN 34 H ASN 34 101.537 -20.512 16.338 234 HA ASN 34 HA ASN 34 100.393 -18.098 15.599 235 HB2 ASN 34 1HB ASN 34 99.348 -20.378 15.491 236 HB3 ASN 34 2HB ASN 34 99.016 -20.236 17.216 237 HD21 ASN 34 1HD2 ASN 34 96.964 -19.434 17.649 238 HD22 ASN 34 2HD2 ASN 34 96.098 -18.376 16.643 239 H SER 35 H SER 35 100.979 -19.283 18.936 240 HA SER 35 HA SER 35 99.154 -17.281 19.985 241 HB2 SER 35 1HB SER 35 100.819 -19.437 21.256 242 HB3 SER 35 2HB SER 35 99.928 -18.258 22.210 243 HG SER 35 HG SER 35 99.015 -20.297 20.521 244 HA PRO 36 HA PRO 36 102.873 -14.804 20.881 245 HB2 PRO 36 1HB PRO 36 105.414 -15.616 20.368 246 HB3 PRO 36 2HB PRO 36 104.574 -16.009 21.880 247 HG2 PRO 36 1HG PRO 36 105.246 -17.738 19.614 248 HG3 PRO 36 2HG PRO 36 104.914 -18.155 21.300 249 HD2 PRO 36 1HD PRO 36 103.124 -18.363 19.075 250 HD3 PRO 36 2HD PRO 36 102.789 -18.732 20.773 251 H LEU 37 H LEU 37 102.963 -13.171 19.445 252 HA LEU 37 HA LEU 37 102.876 -13.703 16.620 253 HB2 LEU 37 1HB LEU 37 103.045 -11.055 18.075 254 HB3 LEU 37 2HB LEU 37 102.599 -11.289 16.387 255 HG LEU 37 HG LEU 37 101.080 -12.434 18.750 256 HD11 LEU 37 1HD1 LEU 37 100.181 -10.239 16.879 257 HD12 LEU 37 2HD1 LEU 37 101.036 -9.885 18.379 258 HD13 LEU 37 3HD1 LEU 37 99.477 -10.710 18.425 259 HD21 LEU 37 3HD2 LEU 37 99.342 -12.814 16.932 260 HD22 LEU 37 1HD2 LEU 37 100.780 -13.830 16.809 261 HD23 LEU 37 2HD2 LEU 37 100.600 -12.426 15.757 262 H GLY 38 H GLY 38 104.301 -12.736 15.031 263 HA2 GLY 38 1HA GLY 38 107.084 -13.119 15.823 264 HA3 GLY 38 2HA GLY 38 106.478 -12.934 14.177 265 H VAL 39 H VAL 39 108.678 -11.503 15.751 266 HA VAL 39 HA VAL 39 107.566 -8.762 15.797 267 HB VAL 39 HB VAL 39 110.186 -9.785 16.926 268 HG11 VAL 39 1HG1 VAL 39 110.211 -7.390 16.351 269 HG12 VAL 39 2HG1 VAL 39 110.195 -7.605 18.102 270 HG13 VAL 39 3HG1 VAL 39 108.715 -7.151 17.257 271 HG21 VAL 39 3HG2 VAL 39 108.927 -9.301 19.125 272 HG22 VAL 39 1HG2 VAL 39 108.475 -10.766 18.253 273 HG23 VAL 39 2HG2 VAL 39 107.458 -9.329 18.148 274 H ILE 40 H ILE 40 108.044 -7.408 14.178 275 HA ILE 40 HA ILE 40 110.470 -7.958 12.563 276 HB ILE 40 HB ILE 40 108.500 -8.594 11.319 277 HG12 ILE 40 1HG1 ILE 40 110.482 -7.327 10.278 278 HG13 ILE 40 2HG1 ILE 40 109.029 -7.528 9.327 279 HG21 ILE 40 1HG2 ILE 40 106.747 -7.402 12.356 280 HG22 ILE 40 2HG2 ILE 40 106.808 -6.824 10.693 281 HG23 ILE 40 3HG2 ILE 40 107.484 -5.840 11.992 282 HD11 ILE 40 3HD1 ILE 40 108.803 -5.300 9.091 283 HD12 ILE 40 1HD1 ILE 40 110.401 -5.142 9.808 284 HD13 ILE 40 2HD1 ILE 40 108.968 -5.003 10.817 285 H GLY 41 H GLY 41 111.804 -6.303 12.288 286 HA2 GLY 41 1HA GLY 41 110.825 -3.561 12.801 287 HA3 GLY 41 2HA GLY 41 112.308 -4.130 13.572 288 H SER 42 H SER 42 111.666 -2.037 11.389 289 HA SER 42 HA SER 42 113.749 -2.923 9.501 290 HB2 SER 42 1HB SER 42 112.417 -2.482 7.573 291 HB3 SER 42 2HB SER 42 111.429 -3.491 8.626 292 HG SER 42 HG SER 42 110.280 -1.671 7.840 293 H PHE 43 H PHE 43 114.739 -1.215 8.329 294 HA PHE 43 HA PHE 43 114.042 1.520 9.212 295 HB2 PHE 43 1HB PHE 43 116.386 2.100 9.358 296 HB3 PHE 43 2HB PHE 43 116.021 0.785 10.455 297 HD1 PHE 43 HD1 PHE 43 117.781 1.781 7.388 298 HD2 PHE 43 HD2 PHE 43 116.927 -1.456 10.078 299 HE1 PHE 43 HE1 PHE 43 119.633 0.466 6.393 300 HE2 PHE 43 HE2 PHE 43 118.777 -2.772 9.082 301 HZ PHE 43 HZ PHE 43 120.132 -1.810 7.239 302 H THR 44 H THR 44 114.180 3.078 7.665 303 HA THR 44 HA THR 44 114.893 2.192 4.931 304 HB THR 44 HB THR 44 112.936 3.369 4.069 305 HG1 THR 44 HG1 THR 44 112.218 3.737 6.782 306 HG21 THR 44 3HG2 THR 44 111.156 1.911 5.136 307 HG22 THR 44 1HG2 THR 44 112.394 1.357 6.264 308 HG23 THR 44 2HG2 THR 44 112.571 1.047 4.538 309 H TYR 45 H TYR 45 115.888 3.642 3.644 310 HA TYR 45 HA TYR 45 116.151 6.438 4.611 311 HB2 TYR 45 1HB TYR 45 118.168 4.814 3.048 312 HB3 TYR 45 2HB TYR 45 118.326 6.513 3.443 313 HD1 TYR 45 HD1 TYR 45 118.465 3.072 4.725 314 HD2 TYR 45 HD2 TYR 45 118.867 7.232 5.718 315 HE1 TYR 45 HE1 TYR 45 119.575 2.457 6.856 316 HE2 TYR 45 HE2 TYR 45 119.972 6.615 7.851 317 HH TYR 45 HH TYR 45 120.695 3.224 8.631 318 H THR 46 H THR 46 115.686 8.035 3.086 319 HA THR 46 HA THR 46 114.708 7.023 0.469 320 HB THR 46 HB THR 46 113.711 9.520 1.828 321 HG1 THR 46 HG1 THR 46 112.783 6.848 2.035 322 HG21 THR 46 3HG2 THR 46 111.781 9.120 0.352 323 HG22 THR 46 1HG2 THR 46 112.552 7.659 -0.264 324 HG23 THR 46 2HG2 THR 46 113.273 9.237 -0.581 325 H GLU 47 H GLU 47 115.064 8.245 -1.369 326 HA GLU 47 HA GLU 47 116.910 10.536 -1.125 327 HB2 GLU 47 1HB GLU 47 117.177 8.219 -3.061 328 HB3 GLU 47 2HB GLU 47 118.162 9.683 -3.081 329 HG2 GLU 47 1HG GLU 47 118.898 9.183 -0.756 330 HG3 GLU 47 2HG GLU 47 117.980 7.685 -0.810 331 H LYS 48 H LYS 48 116.735 12.074 -2.774 332 HA LYS 48 HA LYS 48 114.281 11.862 -4.425 333 HB2 LYS 48 1HB LYS 48 115.595 14.305 -3.206 334 HB3 LYS 48 2HB LYS 48 114.191 14.336 -4.275 335 HG2 LYS 48 1HG LYS 48 112.969 12.887 -2.657 336 HG3 LYS 48 2HG LYS 48 114.354 12.982 -1.567 337 HD2 LYS 48 1HD LYS 48 114.123 15.473 -1.567 338 HD3 LYS 48 2HD LYS 48 112.656 15.301 -2.532 339 HE2 LYS 48 1HE LYS 48 111.924 13.654 -0.622 340 HE3 LYS 48 2HE LYS 48 113.142 14.510 0.324 341 HZ1 LYS 48 3HZ LYS 48 112.032 16.524 0.071 342 HZ2 LYS 48 1HZ LYS 48 110.782 15.411 0.359 343 HZ3 LYS 48 2HZ LYS 48 111.084 15.960 -1.221 344 H SER 49 H SER 49 114.351 12.861 -6.518 345 HA SER 49 HA SER 49 117.047 12.831 -7.691 346 HB2 SER 49 1HB SER 49 115.274 11.443 -8.743 347 HB3 SER 49 2HB SER 49 114.342 12.903 -9.050 348 HG SER 49 HG SER 49 116.840 12.105 -10.108 349 H ARG 50 H ARG 50 118.051 14.661 -8.242 350 HA ARG 50 HA ARG 50 116.520 17.059 -8.892 351 HB2 ARG 50 1HB ARG 50 116.798 17.080 -6.417 352 HB3 ARG 50 2HB ARG 50 118.546 17.054 -6.643 353 HG2 ARG 50 1HG ARG 50 118.368 19.161 -7.968 354 HG3 ARG 50 2HG ARG 50 116.641 19.204 -7.618 355 HD2 ARG 50 1HD ARG 50 118.853 19.241 -5.545 356 HD3 ARG 50 2HD ARG 50 117.925 20.638 -6.067 357 HE ARG 50 HE ARG 50 116.060 19.813 -4.900 358 HH11 ARG 50 1HH1 ARG 50 118.697 17.495 -4.725 359 HH12 ARG 50 2HH1 ARG 50 117.983 16.642 -3.401 360 HH21 ARG 50 1HH2 ARG 50 115.194 18.665 -3.199 361 HH22 ARG 50 2HH2 ARG 50 116.027 17.292 -2.550 362 H THR 51 H THR 51 117.694 18.572 -10.091 363 HA THR 51 HA THR 51 119.750 17.607 -11.733 364 HB THR 51 HB THR 51 119.149 20.505 -11.091 365 HG1 THR 51 HG1 THR 51 117.353 20.147 -12.077 366 HG21 THR 51 3HG2 THR 51 120.005 20.862 -13.392 367 HG22 THR 51 1HG2 THR 51 120.392 19.145 -13.499 368 HG23 THR 51 2HG2 THR 51 121.234 20.166 -12.336 369 H ALA 52 H ALA 52 121.984 18.035 -11.794 370 HA ALA 52 HA ALA 52 123.320 17.802 -9.345 371 HB1 ALA 52 1HB ALA 52 125.248 17.666 -10.591 372 HB2 ALA 52 2HB ALA 52 124.770 18.972 -11.676 373 HB3 ALA 52 3HB ALA 52 124.067 17.367 -11.864 374 H SER 53 H SER 53 124.266 19.220 -7.973 375 HA SER 53 HA SER 53 124.528 22.031 -8.678 376 HB2 SER 53 1HB SER 53 123.127 22.862 -6.904 377 HB3 SER 53 2HB SER 53 122.165 21.749 -7.869 378 HG SER 53 HG SER 53 123.508 21.204 -5.419 379 H SER 54 H SER 54 125.522 23.271 -6.838 380 HA SER 54 HA SER 54 127.855 22.018 -5.916 381 HB2 SER 54 1HB SER 54 127.549 24.478 -6.157 382 HB3 SER 54 2HB SER 54 126.506 24.456 -4.739 383 HG SER 54 HG SER 54 129.163 24.543 -4.861 384 H GLY 55 H GLY 55 124.688 22.362 -4.401 385 HA2 GLY 55 1HA GLY 55 125.518 21.647 -1.769 386 HA3 GLY 55 2HA GLY 55 123.867 21.676 -2.364 387 H ASP 56 H ASP 56 125.597 19.685 -4.425 388 HA ASP 56 HA ASP 56 125.802 17.423 -4.686 389 HB2 ASP 56 1HB ASP 56 125.700 17.275 -1.664 390 HB3 ASP 56 2HB ASP 56 126.317 16.051 -2.768 391 H TYR 57 H TYR 57 124.490 15.660 -4.980 392 HA TYR 57 HA TYR 57 121.718 16.037 -4.892 393 HB2 TYR 57 1HB TYR 57 123.261 13.445 -5.018 394 HB3 TYR 57 2HB TYR 57 121.562 13.634 -5.404 395 HD1 TYR 57 HD1 TYR 57 125.014 14.255 -6.502 396 HD2 TYR 57 HD2 TYR 57 120.855 14.724 -7.478 397 HE1 TYR 57 HE1 TYR 57 125.625 14.782 -8.846 398 HE2 TYR 57 HE2 TYR 57 121.469 15.253 -9.823 399 HH TYR 57 HH TYR 57 123.532 14.675 -11.356 400 H ASN 58 H ASN 58 120.141 14.640 -3.743 401 HA ASN 58 HA ASN 58 119.162 13.851 -1.828 402 HB2 ASN 58 1HB ASN 58 121.989 12.929 -1.260 403 HB3 ASN 58 2HB ASN 58 120.553 12.394 -0.391 404 HD21 ASN 58 1HD2 ASN 58 122.304 10.647 -1.971 405 HD22 ASN 58 2HD2 ASN 58 121.359 10.020 -3.233 406 H LYS 59 H LYS 59 119.797 16.558 -1.819 407 HA LYS 59 HA LYS 59 121.200 17.492 0.416 408 HB2 LYS 59 1HB LYS 59 118.736 18.664 -0.892 409 HB3 LYS 59 2HB LYS 59 119.810 19.520 0.213 410 HG2 LYS 59 1HG LYS 59 121.709 18.973 -1.380 411 HG3 LYS 59 2HG LYS 59 120.488 18.415 -2.523 412 HD2 LYS 59 1HD LYS 59 120.551 21.189 -1.304 413 HD3 LYS 59 2HD LYS 59 121.158 20.790 -2.909 414 HE2 LYS 59 1HE LYS 59 118.870 19.899 -3.471 415 HE3 LYS 59 2HE LYS 59 118.304 20.538 -1.926 416 HZ1 LYS 59 3HZ LYS 59 118.333 22.623 -2.689 417 HZ2 LYS 59 1HZ LYS 59 118.345 21.918 -4.233 418 HZ3 LYS 59 2HZ LYS 59 119.802 22.419 -3.518 419 H ASN 60 H ASN 60 117.866 16.330 0.120 420 HA ASN 60 HA ASN 60 117.479 16.696 3.014 421 HB2 ASN 60 1HB ASN 60 115.537 15.948 0.814 422 HB3 ASN 60 2HB ASN 60 115.113 16.110 2.518 423 HD21 ASN 60 1HD2 ASN 60 114.015 17.769 0.370 424 HD22 ASN 60 2HD2 ASN 60 114.503 19.366 0.681 425 H GLN 61 H GLN 61 117.052 14.958 4.383 426 HA GLN 61 HA GLN 61 117.536 12.264 3.233 427 HB2 GLN 61 1HB GLN 61 118.650 13.426 5.796 428 HB3 GLN 61 2HB GLN 61 118.788 11.735 5.317 429 HG2 GLN 61 1HG GLN 61 120.010 12.371 3.300 430 HG3 GLN 61 2HG GLN 61 119.811 14.077 3.688 431 HE21 GLN 61 1HE2 GLN 61 122.406 12.882 3.379 432 HE22 GLN 61 2HE2 GLN 61 123.179 12.906 4.891 433 H TYR 62 H TYR 62 116.405 10.565 4.156 434 HA TYR 62 HA TYR 62 114.332 11.300 6.146 435 HB2 TYR 62 1HB TYR 62 113.439 10.947 3.852 436 HB3 TYR 62 2HB TYR 62 114.120 9.333 3.868 437 HD1 TYR 62 HD1 TYR 62 111.541 11.541 5.344 438 HD2 TYR 62 HD2 TYR 62 113.043 7.529 5.031 439 HE1 TYR 62 HE1 TYR 62 109.453 10.679 6.367 440 HE2 TYR 62 HE2 TYR 62 110.956 6.668 6.056 441 HH TYR 62 HH TYR 62 108.668 7.326 6.389 442 H TYR 63 H TYR 63 114.175 10.012 7.891 443 HA TYR 63 HA TYR 63 115.479 7.354 7.823 444 HB2 TYR 63 1HB TYR 63 115.519 9.267 10.163 445 HB3 TYR 63 2HB TYR 63 116.285 7.691 10.079 446 HD1 TYR 63 HD1 TYR 63 118.255 7.348 8.554 447 HD2 TYR 63 HD2 TYR 63 116.550 11.222 9.281 448 HE1 TYR 63 HE1 TYR 63 120.312 8.420 7.679 449 HE2 TYR 63 HE2 TYR 63 118.606 12.293 8.405 450 HH TYR 63 HH TYR 63 121.460 10.802 8.089 451 H GLY 64 H GLY 64 113.972 5.839 8.191 452 HA2 GLY 64 1HA GLY 64 111.748 6.492 10.054 453 HA3 GLY 64 2HA GLY 64 111.483 5.627 8.544 454 H ILE 65 H ILE 65 111.341 5.035 11.609 455 HA ILE 65 HA ILE 65 112.531 2.327 11.360 456 HB ILE 65 HB ILE 65 113.828 3.669 12.965 457 HG12 ILE 65 1HG1 ILE 65 112.086 1.753 14.528 458 HG13 ILE 65 2HG1 ILE 65 113.269 1.192 13.346 459 HG21 ILE 65 1HG2 ILE 65 111.819 5.159 13.521 460 HG22 ILE 65 2HG2 ILE 65 112.858 4.700 14.870 461 HG23 ILE 65 3HG2 ILE 65 111.314 3.882 14.627 462 HD11 ILE 65 3HD1 ILE 65 113.987 3.070 15.608 463 HD12 ILE 65 1HD1 ILE 65 115.085 2.170 14.561 464 HD13 ILE 65 2HD1 ILE 65 114.102 1.316 15.750 465 H THR 66 H THR 66 111.031 0.765 11.445 466 HA THR 66 HA THR 66 108.407 1.406 12.679 467 HB THR 66 HB THR 66 107.277 0.250 10.925 468 HG1 THR 66 HG1 THR 66 108.631 -0.610 9.174 469 HG21 THR 66 3HG2 THR 66 108.940 2.518 10.312 470 HG22 THR 66 1HG2 THR 66 107.375 2.074 9.634 471 HG23 THR 66 2HG2 THR 66 108.856 1.461 8.905 472 H ALA 67 H ALA 67 107.291 -0.330 13.653 473 HA ALA 67 HA ALA 67 108.597 -2.944 13.754 474 HB1 ALA 67 1HB ALA 67 108.177 -1.132 16.113 475 HB2 ALA 67 2HB ALA 67 109.576 -2.129 15.713 476 HB3 ALA 67 3HB ALA 67 108.101 -2.883 16.320 477 H GLY 68 H GLY 68 107.097 -4.662 14.177 478 HA2 GLY 68 1HA GLY 68 104.392 -4.080 14.970 479 HA3 GLY 68 2HA GLY 68 104.531 -4.331 13.240 480 HA PRO 69 HA PRO 69 104.418 -8.563 15.117 481 HB2 PRO 69 1HB PRO 69 101.826 -9.057 15.685 482 HB3 PRO 69 2HB PRO 69 102.885 -8.198 16.818 483 HG2 PRO 69 1HG PRO 69 100.673 -7.180 15.207 484 HG3 PRO 69 2HG PRO 69 101.436 -6.489 16.647 485 HD2 PRO 69 1HD PRO 69 101.906 -5.813 13.860 486 HD3 PRO 69 2HD PRO 69 102.547 -5.018 15.316 487 H ALA 70 H ALA 70 104.672 -9.908 13.451 488 HA ALA 70 HA ALA 70 102.905 -10.004 11.162 489 HB1 ALA 70 1HB ALA 70 105.153 -11.871 11.942 490 HB2 ALA 70 2HB ALA 70 105.345 -10.423 10.955 491 HB3 ALA 70 3HB ALA 70 104.371 -11.770 10.364 492 H TYR 71 H TYR 71 101.414 -11.613 10.670 493 HA TYR 71 HA TYR 71 101.013 -13.740 12.693 494 HB2 TYR 71 1HB TYR 71 98.997 -12.573 10.756 495 HB3 TYR 71 2HB TYR 71 98.690 -13.845 11.920 496 HD1 TYR 71 HD1 TYR 71 98.646 -13.327 14.357 497 HD2 TYR 71 HD2 TYR 71 99.038 -10.257 11.377 498 HE1 TYR 71 HE1 TYR 71 98.026 -11.614 16.039 499 HE2 TYR 71 HE2 TYR 71 98.419 -8.545 13.060 500 HH TYR 71 HH TYR 71 98.183 -9.296 16.445 501 H ARG 72 H ARG 72 101.319 -15.811 11.906 502 HA ARG 72 HA ARG 72 102.382 -15.862 9.167 503 HB2 ARG 72 1HB ARG 72 103.786 -16.622 11.085 504 HB3 ARG 72 2HB ARG 72 102.650 -17.946 11.338 505 HG2 ARG 72 1HG ARG 72 103.074 -18.783 9.076 506 HG3 ARG 72 2HG ARG 72 104.160 -17.429 8.759 507 HD2 ARG 72 1HD ARG 72 105.528 -19.320 9.354 508 HD3 ARG 72 2HD ARG 72 105.558 -18.196 10.710 509 HE ARG 72 HE ARG 72 103.462 -19.959 11.195 510 HH11 ARG 72 1HH1 ARG 72 106.946 -20.200 10.836 511 HH12 ARG 72 2HH1 ARG 72 107.056 -21.585 11.872 512 HH21 ARG 72 1HH2 ARG 72 103.667 -21.740 12.517 513 HH22 ARG 72 2HH2 ARG 72 105.223 -22.444 12.812 514 H ILE 73 H ILE 73 100.834 -16.263 7.749 515 HA ILE 73 HA ILE 73 99.191 -18.680 8.018 516 HB ILE 73 HB ILE 73 99.313 -16.643 5.778 517 HG12 ILE 73 1HG1 ILE 73 98.493 -15.627 7.861 518 HG13 ILE 73 2HG1 ILE 73 97.181 -15.807 6.705 519 HG21 ILE 73 1HG2 ILE 73 96.963 -17.741 5.404 520 HG22 ILE 73 2HG2 ILE 73 97.655 -19.087 6.309 521 HG23 ILE 73 3HG2 ILE 73 98.408 -18.554 4.806 522 HD11 ILE 73 3HD1 ILE 73 96.502 -17.918 7.886 523 HD12 ILE 73 1HD1 ILE 73 96.401 -16.484 8.904 524 HD13 ILE 73 2HD1 ILE 73 97.754 -17.596 9.087 525 H ASN 74 H ASN 74 99.714 -20.560 6.992 526 HA ASN 74 HA ASN 74 102.382 -20.945 6.164 527 HB2 ASN 74 1HB ASN 74 99.932 -22.659 5.704 528 HB3 ASN 74 2HB ASN 74 101.587 -23.182 5.408 529 HD21 ASN 74 1HD2 ASN 74 99.814 -24.411 7.370 530 HD22 ASN 74 2HD2 ASN 74 100.506 -24.155 8.899 531 H ASP 75 H ASP 75 99.454 -20.238 4.309 532 HA ASP 75 HA ASP 75 100.854 -20.523 1.772 533 HB2 ASP 75 1HB ASP 75 98.086 -19.494 2.437 534 HB3 ASP 75 2HB ASP 75 98.714 -19.712 0.807 535 H TRP 76 H TRP 76 100.246 -18.508 0.242 536 HA TRP 76 HA TRP 76 101.917 -16.371 1.010 537 HB2 TRP 76 1HB TRP 76 101.529 -16.987 -1.304 538 HB3 TRP 76 2HB TRP 76 99.837 -16.565 -1.162 539 HD1 TRP 76 HD1 TRP 76 103.299 -15.065 -1.596 540 HE1 TRP 76 HE1 TRP 76 103.058 -12.582 -2.240 541 HE3 TRP 76 HE3 TRP 76 98.275 -14.453 -0.906 542 HZ2 TRP 76 HZ2 TRP 76 101.007 -10.596 -2.444 543 HZ3 TRP 76 HZ3 TRP 76 97.206 -12.263 -1.335 544 HH2 TRP 76 HH2 TRP 76 98.561 -10.334 -2.100 545 H ALA 77 H ALA 77 98.790 -16.946 2.127 546 HA ALA 77 HA ALA 77 97.819 -14.238 2.020 547 HB1 ALA 77 1HB ALA 77 96.498 -16.505 2.015 548 HB2 ALA 77 2HB ALA 77 95.821 -15.081 2.807 549 HB3 ALA 77 3HB ALA 77 96.605 -16.335 3.768 550 H SER 78 H SER 78 100.371 -14.821 3.643 551 HA SER 78 HA SER 78 99.618 -14.625 6.407 552 HB2 SER 78 1HB SER 78 101.942 -14.359 6.856 553 HB3 SER 78 2HB SER 78 101.855 -15.463 5.488 554 HG SER 78 HG SER 78 102.811 -12.883 5.655 555 H ILE 79 H ILE 79 100.111 -12.641 7.762 556 HA ILE 79 HA ILE 79 99.839 -10.145 6.236 557 HB ILE 79 HB ILE 79 97.876 -10.926 8.410 558 HG12 ILE 79 1HG1 ILE 79 97.411 -10.600 5.428 559 HG13 ILE 79 2HG1 ILE 79 97.530 -12.156 6.249 560 HG21 ILE 79 1HG2 ILE 79 97.913 -8.542 6.536 561 HG22 ILE 79 2HG2 ILE 79 98.470 -8.492 8.209 562 HG23 ILE 79 3HG2 ILE 79 96.775 -8.831 7.853 563 HD11 ILE 79 3HD1 ILE 79 95.633 -11.420 7.743 564 HD12 ILE 79 1HD1 ILE 79 95.187 -11.626 6.049 565 HD13 ILE 79 2HD1 ILE 79 95.443 -10.010 6.702 566 H TYR 80 H TYR 80 101.158 -8.656 7.106 567 HA TYR 80 HA TYR 80 101.426 -8.619 10.051 568 HB2 TYR 80 1HB TYR 80 103.739 -8.251 9.976 569 HB3 TYR 80 2HB TYR 80 103.447 -9.606 8.913 570 HD1 TYR 80 HD1 TYR 80 103.612 -9.291 6.427 571 HD2 TYR 80 HD2 TYR 80 104.664 -6.199 9.217 572 HE1 TYR 80 HE1 TYR 80 104.881 -8.114 4.648 573 HE2 TYR 80 HE2 TYR 80 105.928 -5.022 7.439 574 HH TYR 80 HH TYR 80 107.040 -5.568 5.315 575 H GLY 81 H GLY 81 101.437 -6.645 10.998 576 HA2 GLY 81 1HA GLY 81 101.084 -4.296 9.203 577 HA3 GLY 81 2HA GLY 81 100.131 -4.526 10.671 578 H VAL 82 H VAL 82 102.213 -2.432 9.781 579 HA VAL 82 HA VAL 82 103.898 -2.587 12.189 580 HB VAL 82 HB VAL 82 105.061 -3.665 10.262 581 HG11 VAL 82 1HG1 VAL 82 105.276 -0.907 9.062 582 HG12 VAL 82 2HG1 VAL 82 104.036 -2.054 8.558 583 HG13 VAL 82 3HG1 VAL 82 105.742 -2.452 8.349 584 HG21 VAL 82 3HG2 VAL 82 106.097 -1.290 11.737 585 HG22 VAL 82 1HG2 VAL 82 107.102 -1.940 10.441 586 HG23 VAL 82 2HG2 VAL 82 106.624 -2.971 11.784 587 H VAL 83 H VAL 83 104.516 -0.602 13.025 588 HA VAL 83 HA VAL 83 103.659 1.811 11.539 589 HB VAL 83 HB VAL 83 102.904 2.792 13.685 590 HG11 VAL 83 1HG1 VAL 83 101.455 0.177 13.400 591 HG12 VAL 83 2HG1 VAL 83 101.456 1.319 12.056 592 HG13 VAL 83 3HG1 VAL 83 100.795 1.798 13.621 593 HG21 VAL 83 3HG2 VAL 83 104.321 1.380 15.166 594 HG22 VAL 83 1HG2 VAL 83 103.320 -0.015 14.763 595 HG23 VAL 83 2HG2 VAL 83 102.625 1.342 15.647 596 H GLY 84 H GLY 84 105.056 3.570 11.729 597 HA2 GLY 84 1HA GLY 84 107.364 3.303 13.518 598 HA3 GLY 84 2HA GLY 84 107.686 3.330 11.789 599 H VAL 85 H VAL 85 108.892 5.230 13.101 600 HA VAL 85 HA VAL 85 107.255 7.674 12.670 601 HB VAL 85 HB VAL 85 109.679 7.356 14.465 602 HG11 VAL 85 1HG1 VAL 85 109.397 9.615 13.523 603 HG12 VAL 85 2HG1 VAL 85 109.024 9.613 15.246 604 HG13 VAL 85 3HG1 VAL 85 107.719 9.638 14.061 605 HG21 VAL 85 3HG2 VAL 85 107.646 6.163 15.304 606 HG22 VAL 85 1HG2 VAL 85 106.753 7.681 15.203 607 HG23 VAL 85 2HG2 VAL 85 108.104 7.527 16.326 608 H GLY 86 H GLY 86 107.924 8.970 11.059 609 HA2 GLY 86 1HA GLY 86 110.627 8.479 9.916 610 HA3 GLY 86 2HA GLY 86 109.219 8.941 8.968 611 H TYR 87 H TYR 87 111.999 10.157 9.739 612 HA TYR 87 HA TYR 87 110.963 12.889 10.239 613 HB2 TYR 87 1HB TYR 87 113.661 11.756 10.991 614 HB3 TYR 87 2HB TYR 87 113.121 13.400 11.272 615 HD1 TYR 87 HD1 TYR 87 112.848 9.891 12.328 616 HD2 TYR 87 HD2 TYR 87 111.517 13.911 13.047 617 HE1 TYR 87 HE1 TYR 87 111.946 9.199 14.531 618 HE2 TYR 87 HE2 TYR 87 110.614 13.218 15.250 619 HH TYR 87 HH TYR 87 111.463 10.628 16.849 620 H GLY 88 H GLY 88 111.491 14.404 8.761 621 HA2 GLY 88 1HA GLY 88 113.562 13.736 6.738 622 HA3 GLY 88 2HA GLY 88 112.093 14.633 6.358 623 H LYS 89 H LYS 89 115.242 15.151 6.609 624 HA LYS 89 HA LYS 89 114.920 17.813 7.856 625 HB2 LYS 89 1HB LYS 89 116.959 17.571 9.109 626 HB3 LYS 89 2HB LYS 89 115.901 16.222 9.500 627 HG2 LYS 89 1HG LYS 89 117.157 14.821 7.847 628 HG3 LYS 89 2HG LYS 89 118.268 16.170 7.605 629 HD2 LYS 89 1HD LYS 89 118.650 16.135 10.128 630 HD3 LYS 89 2HD LYS 89 117.803 14.587 10.139 631 HE2 LYS 89 1HE LYS 89 119.993 13.862 9.885 632 HE3 LYS 89 2HE LYS 89 119.509 14.005 8.195 633 HZ1 LYS 89 3HZ LYS 89 121.684 15.084 8.880 634 HZ2 LYS 89 1HZ LYS 89 120.741 16.260 9.659 635 HZ3 LYS 89 2HZ LYS 89 120.603 16.037 7.981 636 H PHE 90 H PHE 90 116.522 19.382 7.242 637 HA PHE 90 HA PHE 90 117.477 18.924 4.499 638 HB2 PHE 90 1HB PHE 90 116.047 20.892 4.954 639 HB3 PHE 90 2HB PHE 90 117.247 21.485 6.085 640 HD1 PHE 90 HD1 PHE 90 116.480 20.861 2.528 641 HD2 PHE 90 HD2 PHE 90 119.297 22.516 5.314 642 HE1 PHE 90 HE1 PHE 90 117.652 22.002 0.664 643 HE2 PHE 90 HE2 PHE 90 120.470 23.658 3.450 644 HZ PHE 90 HZ PHE 90 119.647 23.402 1.125 645 H GLN 91 H GLN 91 119.594 18.865 3.992 646 HA GLN 91 HA GLN 91 121.511 19.009 6.213 647 HB2 GLN 91 1HB GLN 91 121.426 16.966 4.773 648 HB3 GLN 91 2HB GLN 91 121.927 17.961 3.404 649 HG2 GLN 91 1HG GLN 91 123.937 17.011 4.248 650 HG3 GLN 91 2HG GLN 91 123.925 18.671 4.843 651 HE21 GLN 91 1HE2 GLN 91 124.351 18.858 7.040 652 HE22 GLN 91 2HE2 GLN 91 124.074 17.642 8.192 653 H THR 92 H THR 92 123.005 20.572 6.364 654 HA THR 92 HA THR 92 122.945 22.741 4.424 655 HB THR 92 HB THR 92 122.956 23.299 6.803 656 HG1 THR 92 HG1 THR 92 125.486 23.893 5.681 657 HG21 THR 92 3HG2 THR 92 124.101 21.406 7.744 658 HG22 THR 92 1HG2 THR 92 125.076 22.830 8.104 659 HG23 THR 92 2HG2 THR 92 125.553 21.743 6.801 660 H THR 93 H THR 93 124.924 23.646 3.535 661 HA THR 93 HA THR 93 126.636 21.561 2.479 662 HB THR 93 HB THR 93 127.576 23.330 1.083 663 HG1 THR 93 HG1 THR 93 127.643 25.180 2.068 664 HG21 THR 93 3HG2 THR 93 124.589 23.755 1.266 665 HG22 THR 93 1HG2 THR 93 125.306 22.299 0.577 666 HG23 THR 93 2HG2 THR 93 125.610 23.869 -0.168 667 H GLU 94 H GLU 94 129.020 21.875 2.423 668 HA GLU 94 HA GLU 94 130.100 21.965 5.011 669 HB2 GLU 94 1HB GLU 94 131.471 22.279 2.333 670 HB3 GLU 94 2HB GLU 94 132.303 21.993 3.862 671 HG2 GLU 94 1HG GLU 94 130.991 19.898 4.151 672 HG3 GLU 94 2HG GLU 94 130.251 20.170 2.579 673 H TYR 95 H TYR 95 129.817 24.478 2.541 674 HA TYR 95 HA TYR 95 131.533 26.376 3.688 675 HB2 TYR 95 1HB TYR 95 130.516 26.455 1.402 676 HB3 TYR 95 2HB TYR 95 128.990 26.897 2.142 677 HD1 TYR 95 HD1 TYR 95 128.807 29.087 3.378 678 HD2 TYR 95 HD2 TYR 95 132.233 28.044 1.008 679 HE1 TYR 95 HE1 TYR 95 129.483 31.474 3.306 680 HE2 TYR 95 HE2 TYR 95 132.910 30.429 0.935 681 HH TYR 95 HH TYR 95 131.356 32.789 1.222 682 HA PRO 96 HA PRO 96 129.147 27.431 7.342 683 HB2 PRO 96 1HB PRO 96 129.930 30.057 7.723 684 HB3 PRO 96 2HB PRO 96 130.876 28.644 8.230 685 HG2 PRO 96 1HG PRO 96 131.189 30.359 5.824 686 HG3 PRO 96 2HG PRO 96 132.426 29.626 6.861 687 HD2 PRO 96 1HD PRO 96 131.796 28.576 4.450 688 HD3 PRO 96 2HD PRO 96 132.280 27.556 5.821 689 H THR 97 H THR 97 127.003 27.611 7.033 690 HA THR 97 HA THR 97 125.963 30.023 5.656 691 HB THR 97 HB THR 97 124.705 27.270 5.680 692 HG1 THR 97 HG1 THR 97 125.958 26.873 4.068 693 HG21 THR 97 3HG2 THR 97 123.961 29.949 4.570 694 HG22 THR 97 1HG2 THR 97 122.935 28.698 5.274 695 HG23 THR 97 2HG2 THR 97 123.551 28.512 3.635 696 H TYR 98 H TYR 98 124.343 31.124 6.651 697 HA TYR 98 HA TYR 98 124.002 30.850 9.435 698 HB2 TYR 98 1HB TYR 98 122.324 32.333 7.413 699 HB3 TYR 98 2HB TYR 98 122.188 32.515 9.153 700 HD1 TYR 98 HD1 TYR 98 124.224 33.226 6.175 701 HD2 TYR 98 HD2 TYR 98 123.911 33.684 10.434 702 HE1 TYR 98 HE1 TYR 98 126.002 34.953 6.121 703 HE2 TYR 98 HE2 TYR 98 125.690 35.412 10.378 704 HH TYR 98 HH TYR 98 127.707 35.918 8.699 705 H LYS 99 H LYS 99 122.078 29.675 6.720 706 HA LYS 99 HA LYS 99 119.732 28.975 8.065 707 HB2 LYS 99 1HB LYS 99 120.201 28.897 5.558 708 HB3 LYS 99 2HB LYS 99 120.960 27.332 5.851 709 HG2 LYS 99 1HG LYS 99 118.769 26.712 7.072 710 HG3 LYS 99 2HG LYS 99 118.078 28.121 6.265 711 HD2 LYS 99 1HD LYS 99 119.539 25.921 4.782 712 HD3 LYS 99 2HD LYS 99 117.789 25.930 5.016 713 HE2 LYS 99 1HE LYS 99 119.346 28.178 3.710 714 HE3 LYS 99 2HE LYS 99 118.481 26.921 2.827 715 HZ1 LYS 99 3HZ LYS 99 116.474 27.621 4.151 716 HZ2 LYS 99 1HZ LYS 99 117.012 28.726 2.982 717 HZ3 LYS 99 2HZ LYS 99 117.362 28.991 4.623 718 H HIS 100 H HIS 100 119.055 27.156 9.161 719 HA HIS 100 HA HIS 100 121.198 25.312 10.056 720 HB2 HIS 100 1HB HIS 100 118.754 26.188 11.597 721 HB3 HIS 100 2HB HIS 100 120.049 25.160 12.180 722 HD1 HIS 100 HD1 HIS 100 122.511 26.432 12.183 723 HD2 HIS 100 HD2 HIS 100 119.112 28.846 12.196 724 HE1 HIS 100 HE1 HIS 100 123.261 28.718 12.971 725 H ASP 101 H ASP 101 120.145 23.270 11.062 726 HA ASP 101 HA ASP 101 118.698 21.989 8.924 727 HB2 ASP 101 1HB ASP 101 120.505 20.844 10.167 728 HB3 ASP 101 2HB ASP 101 119.525 20.914 11.629 729 H THR 102 H THR 102 116.572 21.781 8.754 730 HA THR 102 HA THR 102 114.903 21.964 11.197 731 HB THR 102 HB THR 102 114.186 23.045 8.459 732 HG1 THR 102 HG1 THR 102 114.774 24.963 9.198 733 HG21 THR 102 3HG2 THR 102 112.283 22.259 9.837 734 HG22 THR 102 1HG2 THR 102 112.269 24.012 9.646 735 HG23 THR 102 2HG2 THR 102 112.828 23.294 11.157 736 H SER 103 H SER 103 113.261 20.464 11.356 737 HA SER 103 HA SER 103 112.771 18.689 9.086 738 HB2 SER 103 1HB SER 103 113.342 16.678 10.300 739 HB3 SER 103 2HB SER 103 114.731 17.759 10.318 740 HG SER 103 HG SER 103 114.364 17.000 12.397 741 H ASP 104 H ASP 104 111.078 17.078 9.549 742 HA ASP 104 HA ASP 104 109.269 17.760 11.759 743 HB2 ASP 104 1HB ASP 104 108.545 19.057 9.739 744 HB3 ASP 104 2HB ASP 104 108.333 17.526 8.889 745 H TYR 105 H TYR 105 107.789 16.049 12.266 746 HA TYR 105 HA TYR 105 108.730 13.413 11.307 747 HB2 TYR 105 1HB TYR 105 108.080 12.526 13.436 748 HB3 TYR 105 2HB TYR 105 109.105 13.923 13.696 749 HD1 TYR 105 HD1 TYR 105 108.121 16.060 14.512 750 HD2 TYR 105 HD2 TYR 105 105.788 12.473 14.149 751 HE1 TYR 105 HE1 TYR 105 106.374 17.049 15.967 752 HE2 TYR 105 HE2 TYR 105 104.041 13.460 15.604 753 HH TYR 105 HH TYR 105 103.510 15.171 16.935 754 H GLY 106 H GLY 106 107.239 11.773 10.875 755 HA2 GLY 106 1HA GLY 106 104.381 12.472 10.887 756 HA3 GLY 106 2HA GLY 106 105.117 11.940 9.373 757 H PHE 107 H PHE 107 103.044 10.456 10.394 758 HA PHE 107 HA PHE 107 104.307 8.168 11.779 759 HB2 PHE 107 1HB PHE 107 101.399 8.884 11.384 760 HB3 PHE 107 2HB PHE 107 101.976 7.442 12.196 761 HD1 PHE 107 HD1 PHE 107 103.174 7.630 14.376 762 HD2 PHE 107 HD2 PHE 107 101.387 11.030 12.451 763 HE1 PHE 107 HE1 PHE 107 103.291 8.896 16.504 764 HE2 PHE 107 HE2 PHE 107 101.504 12.296 14.580 765 HZ PHE 107 HZ PHE 107 102.457 11.230 16.607 766 H SER 108 H SER 108 104.748 6.370 10.658 767 HA SER 108 HA SER 108 103.542 6.070 7.971 768 HB2 SER 108 1HB SER 108 105.926 6.066 7.852 769 HB3 SER 108 2HB SER 108 106.060 4.974 9.226 770 HG SER 108 HG SER 108 104.792 4.357 6.757 771 H TYR 109 H TYR 109 102.151 4.455 7.569 772 HA TYR 109 HA TYR 109 102.062 2.154 9.444 773 HB2 TYR 109 1HB TYR 109 99.724 3.463 8.038 774 HB3 TYR 109 2HB TYR 109 99.643 2.049 9.070 775 HD1 TYR 109 HD1 TYR 109 99.840 2.254 11.503 776 HD2 TYR 109 HD2 TYR 109 100.036 5.701 8.946 777 HE1 TYR 109 HE1 TYR 109 99.514 3.729 13.469 778 HE2 TYR 109 HE2 TYR 109 99.709 7.177 10.912 779 HH TYR 109 HH TYR 109 98.480 6.343 13.651 780 H GLY 110 H GLY 110 102.120 0.147 8.442 781 HA2 GLY 110 1HA GLY 110 101.616 0.039 5.548 782 HA3 GLY 110 2HA GLY 110 103.214 -0.421 6.120 783 H ALA 111 H ALA 111 101.410 -2.086 4.712 784 HA ALA 111 HA ALA 111 101.396 -4.311 6.621 785 HB1 ALA 111 1HB ALA 111 99.163 -4.940 6.279 786 HB2 ALA 111 2HB ALA 111 99.002 -3.940 4.834 787 HB3 ALA 111 3HB ALA 111 99.056 -3.185 6.427 788 H GLY 112 H GLY 112 101.634 -6.347 5.610 789 HA2 GLY 112 1HA GLY 112 101.870 -6.404 2.691 790 HA3 GLY 112 2HA GLY 112 103.345 -6.688 3.600 791 H LEU 113 H LEU 113 102.227 -8.509 1.815 792 HA LEU 113 HA LEU 113 101.365 -10.709 3.595 793 HB2 LEU 113 1HB LEU 113 100.951 -10.370 0.612 794 HB3 LEU 113 2HB LEU 113 100.505 -11.805 1.535 795 HG LEU 113 HG LEU 113 99.216 -10.066 3.045 796 HD11 LEU 113 1HD1 LEU 113 99.773 -8.591 0.490 797 HD12 LEU 113 2HD1 LEU 113 99.778 -7.988 2.146 798 HD13 LEU 113 3HD1 LEU 113 98.248 -8.320 1.333 799 HD21 LEU 113 3HD2 LEU 113 97.257 -10.712 1.958 800 HD22 LEU 113 1HD2 LEU 113 98.390 -11.920 1.354 801 HD23 LEU 113 2HD2 LEU 113 97.964 -10.530 0.353 802 H GLN 114 H GLN 114 102.427 -12.797 3.262 803 HA GLN 114 HA GLN 114 105.061 -12.530 1.946 804 HB2 GLN 114 1HB GLN 114 105.261 -11.819 4.328 805 HB3 GLN 114 2HB GLN 114 104.727 -13.427 4.811 806 HG2 GLN 114 1HG GLN 114 106.628 -14.438 3.642 807 HG3 GLN 114 2HG GLN 114 107.150 -12.854 3.084 808 HE21 GLN 114 1HE2 GLN 114 109.017 -14.248 4.524 809 HE22 GLN 114 2HE2 GLN 114 109.172 -13.618 6.093 810 H PHE 115 H PHE 115 105.789 -14.307 1.002 811 HA PHE 115 HA PHE 115 104.818 -16.936 1.934 812 HB2 PHE 115 1HB PHE 115 103.643 -16.343 -0.175 813 HB3 PHE 115 2HB PHE 115 105.194 -16.130 -0.960 814 HD1 PHE 115 HD1 PHE 115 102.892 -18.592 0.578 815 HD2 PHE 115 HD2 PHE 115 106.474 -18.014 -1.721 816 HE1 PHE 115 HE1 PHE 115 102.918 -21.006 0.011 817 HE2 PHE 115 HE2 PHE 115 106.500 -20.428 -2.287 818 HZ PHE 115 HZ PHE 115 104.722 -21.924 -1.420 819 H ASN 116 H ASN 116 106.514 -18.359 2.250 820 HA ASN 116 HA ASN 116 109.144 -17.567 1.164 821 HB2 ASN 116 1HB ASN 116 110.165 -17.880 3.367 822 HB3 ASN 116 2HB ASN 116 108.976 -16.582 3.372 823 HD21 ASN 116 1HD2 ASN 116 109.731 -17.915 5.783 824 HD22 ASN 116 2HD2 ASN 116 108.396 -18.796 6.349 825 HA PRO 117 HA PRO 117 109.822 -22.033 1.492 826 HB2 PRO 117 1HB PRO 117 111.395 -22.146 -0.839 827 HB3 PRO 117 2HB PRO 117 109.674 -22.556 -0.731 828 HG2 PRO 117 1HG PRO 117 110.807 -20.430 -2.158 829 HG3 PRO 117 2HG PRO 117 109.088 -20.703 -1.834 830 HD2 PRO 117 1HD PRO 117 111.000 -18.903 -0.401 831 HD3 PRO 117 2HD PRO 117 109.258 -18.687 -0.706 832 H MET 118 H MET 118 112.127 -23.150 1.352 833 HA MET 118 HA MET 118 113.747 -21.935 3.256 834 HB2 MET 118 1HB MET 118 113.715 -24.373 2.548 835 HB3 MET 118 2HB MET 118 114.751 -23.901 1.199 836 HG2 MET 118 1HG MET 118 116.341 -22.889 2.872 837 HG3 MET 118 2HG MET 118 115.353 -23.592 4.153 838 HE1 MET 118 3HE MET 118 115.573 -27.309 3.760 839 HE2 MET 118 1HE MET 118 114.465 -26.470 2.667 840 HE3 MET 118 2HE MET 118 114.681 -25.894 4.317 841 H GLU 119 H GLU 119 115.382 -20.543 3.242 842 HA GLU 119 HA GLU 119 117.187 -19.328 2.611 843 HB2 GLU 119 1HB GLU 119 117.533 -21.575 1.233 844 HB3 GLU 119 2HB GLU 119 117.256 -20.501 -0.135 845 HG2 GLU 119 1HG GLU 119 119.056 -18.988 0.766 846 HG3 GLU 119 2HG GLU 119 119.359 -20.176 2.019 847 H ASN 120 H ASN 120 117.579 -18.424 -0.318 848 HA ASN 120 HA ASN 120 116.619 -15.850 0.271 849 HB2 ASN 120 1HB ASN 120 117.681 -16.978 -2.320 850 HB3 ASN 120 2HB ASN 120 117.520 -15.265 -1.932 851 HD21 ASN 120 1HD2 ASN 120 119.906 -17.394 -2.230 852 HD22 ASN 120 2HD2 ASN 120 120.914 -16.950 -0.939 853 H VAL 121 H VAL 121 114.840 -18.403 -1.016 854 HA VAL 121 HA VAL 121 113.633 -16.993 -3.216 855 HB VAL 121 HB VAL 121 112.750 -19.652 -2.084 856 HG11 VAL 121 1HG1 VAL 121 111.180 -19.038 -3.702 857 HG12 VAL 121 2HG1 VAL 121 112.341 -19.924 -4.683 858 HG13 VAL 121 3HG1 VAL 121 112.365 -18.161 -4.665 859 HG21 VAL 121 3HG2 VAL 121 114.956 -19.059 -4.085 860 HG22 VAL 121 1HG2 VAL 121 114.277 -20.661 -3.800 861 HG23 VAL 121 2HG2 VAL 121 115.146 -19.830 -2.511 862 H ALA 122 H ALA 122 113.117 -16.073 -0.250 863 HA ALA 122 HA ALA 122 110.174 -16.339 -0.266 864 HB1 ALA 122 1HB ALA 122 111.292 -17.050 1.803 865 HB2 ALA 122 2HB ALA 122 110.322 -15.606 2.089 866 HB3 ALA 122 3HB ALA 122 112.073 -15.473 1.932 867 H LEU 123 H LEU 123 108.857 -14.470 -0.186 868 HA LEU 123 HA LEU 123 110.190 -11.881 -0.466 869 HB2 LEU 123 1HB LEU 123 108.996 -11.389 -2.579 870 HB3 LEU 123 2HB LEU 123 110.186 -12.675 -2.753 871 HG LEU 123 HG LEU 123 107.366 -13.431 -2.064 872 HD11 LEU 123 1HD1 LEU 123 107.400 -11.748 -4.021 873 HD12 LEU 123 2HD1 LEU 123 106.603 -13.296 -4.301 874 HD13 LEU 123 3HD1 LEU 123 108.226 -13.016 -4.927 875 HD21 LEU 123 3HD2 LEU 123 108.750 -15.309 -2.143 876 HD22 LEU 123 1HD2 LEU 123 109.752 -14.642 -3.431 877 HD23 LEU 123 2HD2 LEU 123 108.145 -15.268 -3.797 878 H ASP 124 H ASP 124 108.802 -10.089 -0.283 879 HA ASP 124 HA ASP 124 106.033 -10.642 0.551 880 HB2 ASP 124 1HB ASP 124 106.316 -9.046 2.446 881 HB3 ASP 124 2HB ASP 124 107.235 -10.533 2.628 882 H PHE 125 H PHE 125 104.577 -8.964 0.217 883 HA PHE 125 HA PHE 125 105.610 -6.610 -1.267 884 HB2 PHE 125 1HB PHE 125 103.019 -8.106 -1.707 885 HB3 PHE 125 2HB PHE 125 103.477 -6.620 -2.515 886 HD1 PHE 125 HD1 PHE 125 105.367 -6.617 -4.143 887 HD2 PHE 125 HD2 PHE 125 103.882 -10.238 -2.373 888 HE1 PHE 125 HE1 PHE 125 106.511 -7.944 -5.898 889 HE2 PHE 125 HE2 PHE 125 105.027 -11.565 -4.128 890 HZ PHE 125 HZ PHE 125 106.342 -10.417 -5.891 891 H SER 126 H SER 126 104.937 -4.637 -0.492 892 HA SER 126 HA SER 126 102.813 -4.623 1.557 893 HB2 SER 126 1HB SER 126 105.561 -3.444 2.004 894 HB3 SER 126 2HB SER 126 104.213 -3.446 3.138 895 HG SER 126 HG SER 126 106.057 -5.288 2.824 896 H TYR 127 H TYR 127 101.880 -2.599 1.968 897 HA TYR 127 HA TYR 127 102.669 -0.405 0.144 898 HB2 TYR 127 1HB TYR 127 100.363 0.268 0.029 899 HB3 TYR 127 2HB TYR 127 100.482 -1.417 -0.437 900 HD1 TYR 127 HD1 TYR 127 99.274 0.957 2.096 901 HD2 TYR 127 HD2 TYR 127 99.552 -3.182 0.982 902 HE1 TYR 127 HE1 TYR 127 97.564 0.384 3.798 903 HE2 TYR 127 HE2 TYR 127 97.842 -3.756 2.684 904 HH TYR 127 HH TYR 127 97.046 -1.959 5.164 905 H GLU 128 H GLU 128 102.857 1.607 1.033 906 HA GLU 128 HA GLU 128 102.622 1.783 3.984 907 HB2 GLU 128 1HB GLU 128 104.966 1.754 3.107 908 HB3 GLU 128 2HB GLU 128 104.597 3.217 2.196 909 HG2 GLU 128 1HG GLU 128 103.986 4.350 4.329 910 HG3 GLU 128 2HG GLU 128 104.478 2.907 5.206 911 H GLN 129 H GLN 129 101.718 3.626 4.847 912 HA GLN 129 HA GLN 129 100.621 5.596 2.923 913 HB2 GLN 129 1HB GLN 129 98.899 4.030 3.854 914 HB3 GLN 129 2HB GLN 129 99.293 4.634 5.466 915 HG2 GLN 129 1HG GLN 129 97.427 5.928 4.756 916 HG3 GLN 129 2HG GLN 129 98.827 6.976 4.540 917 HE21 GLN 129 1HE2 GLN 129 98.903 7.980 2.533 918 HE22 GLN 129 2HE2 GLN 129 98.193 7.376 1.115 919 H SER 130 H SER 130 101.133 7.621 3.305 920 HA SER 130 HA SER 130 102.044 8.418 6.003 921 HB2 SER 130 1HB SER 130 103.613 8.771 3.986 922 HB3 SER 130 2HB SER 130 102.473 10.014 3.482 923 HG SER 130 HG SER 130 103.644 9.875 6.064 924 H ARG 131 H ARG 131 101.192 10.438 6.815 925 HA ARG 131 HA ARG 131 98.315 10.175 6.403 926 HB2 ARG 131 1HB ARG 131 99.354 9.877 8.662 927 HB3 ARG 131 2HB ARG 131 99.834 11.575 8.620 928 HG2 ARG 131 1HG ARG 131 97.458 12.228 8.362 929 HG3 ARG 131 2HG ARG 131 96.991 10.529 8.464 930 HD2 ARG 131 1HD ARG 131 98.077 10.413 10.709 931 HD3 ARG 131 2HD ARG 131 98.396 12.142 10.610 932 HE ARG 131 HE ARG 131 95.829 10.864 11.092 933 HH11 ARG 131 1HH1 ARG 131 97.455 13.837 10.171 934 HH12 ARG 131 2HH1 ARG 131 96.099 14.828 10.601 935 HH21 ARG 131 1HH2 ARG 131 94.117 12.191 11.627 936 HH22 ARG 131 2HH2 ARG 131 94.235 13.906 11.414 937 H ILE 132 H ILE 132 96.926 12.224 6.492 938 HA ILE 132 HA ILE 132 98.046 13.148 3.977 939 HB ILE 132 HB ILE 132 95.201 13.216 5.007 940 HG12 ILE 132 1HG1 ILE 132 96.426 11.333 2.976 941 HG13 ILE 132 2HG1 ILE 132 96.315 10.926 4.687 942 HG21 ILE 132 1HG2 ILE 132 94.816 13.316 2.419 943 HG22 ILE 132 2HG2 ILE 132 96.475 13.908 2.368 944 HG23 ILE 132 3HG2 ILE 132 95.251 14.797 3.271 945 HD11 ILE 132 3HD1 ILE 132 94.054 11.452 2.756 946 HD12 ILE 132 1HD1 ILE 132 93.819 11.465 4.503 947 HD13 ILE 132 2HD1 ILE 132 94.365 9.994 3.698 948 H ARG 133 H ARG 133 99.306 14.849 4.550 949 HA ARG 133 HA ARG 133 97.977 17.411 4.983 950 HB2 ARG 133 1HB ARG 133 100.788 16.696 4.078 951 HB3 ARG 133 2HB ARG 133 100.208 18.339 4.356 952 HG2 ARG 133 1HG ARG 133 99.663 17.702 6.711 953 HG3 ARG 133 2HG ARG 133 100.386 16.121 6.416 954 HD2 ARG 133 1HD ARG 133 101.797 18.795 6.212 955 HD3 ARG 133 2HD ARG 133 102.020 17.599 7.484 956 HE ARG 133 HE ARG 133 102.514 16.390 4.977 957 HH11 ARG 133 1HH1 ARG 133 103.983 18.733 7.140 958 HH12 ARG 133 2HH1 ARG 133 105.586 18.396 6.578 959 HH21 ARG 133 1HH2 ARG 133 104.601 15.999 4.293 960 HH22 ARG 133 2HH2 ARG 133 105.930 16.868 4.985 961 H SER 134 H SER 134 98.821 18.991 2.946 962 HA SER 134 HA SER 134 96.972 18.472 0.944 963 HB2 SER 134 1HB SER 134 98.010 20.677 1.353 964 HB3 SER 134 2HB SER 134 99.517 20.081 0.668 965 HG SER 134 HG SER 134 97.397 21.076 -0.586 966 H VAL 135 H VAL 135 100.136 17.032 1.270 967 HA VAL 135 HA VAL 135 99.711 15.721 -1.357 968 HB VAL 135 HB VAL 135 102.294 15.960 0.212 969 HG11 VAL 135 1HG1 VAL 135 101.748 14.965 -2.602 970 HG12 VAL 135 2HG1 VAL 135 102.080 13.928 -1.215 971 HG13 VAL 135 3HG1 VAL 135 103.320 15.034 -1.808 972 HG21 VAL 135 3HG2 VAL 135 102.947 17.452 -1.721 973 HG22 VAL 135 1HG2 VAL 135 101.707 18.136 -0.671 974 HG23 VAL 135 2HG2 VAL 135 101.258 17.437 -2.227 975 H ASP 136 H ASP 136 99.212 13.621 -1.325 976 HA ASP 136 HA ASP 136 99.363 12.135 1.222 977 HB2 ASP 136 1HB ASP 136 97.826 11.524 -1.318 978 HB3 ASP 136 2HB ASP 136 97.759 10.591 0.173 979 H VAL 137 H VAL 137 100.556 10.162 1.359 980 HA VAL 137 HA VAL 137 102.293 9.691 -1.021 981 HB VAL 137 HB VAL 137 102.853 8.813 1.805 982 HG11 VAL 137 1HG1 VAL 137 104.031 7.532 0.126 983 HG12 VAL 137 2HG1 VAL 137 105.175 8.645 0.881 984 HG13 VAL 137 3HG1 VAL 137 104.515 9.004 -0.714 985 HG21 VAL 137 3HG2 VAL 137 103.997 11.214 0.341 986 HG22 VAL 137 1HG2 VAL 137 104.352 10.719 1.998 987 HG23 VAL 137 2HG2 VAL 137 102.749 11.326 1.582 988 H GLY 138 H GLY 138 102.115 7.861 -2.113 989 HA2 GLY 138 1HA GLY 138 101.068 5.461 -0.719 990 HA3 GLY 138 2HA GLY 138 100.655 5.829 -2.395 991 H THR 139 H THR 139 102.704 3.978 -0.540 992 HA THR 139 HA THR 139 104.787 3.973 -2.649 993 HB THR 139 HB THR 139 105.350 3.443 0.262 994 HG1 THR 139 HG1 THR 139 104.823 5.536 0.294 995 HG21 THR 139 3HG2 THR 139 107.235 4.386 -1.887 996 HG22 THR 139 1HG2 THR 139 106.852 2.673 -1.707 997 HG23 THR 139 2HG2 THR 139 107.609 3.552 -0.378 998 H TRP 140 H TRP 140 105.348 2.041 -3.457 999 HA TRP 140 HA TRP 140 104.140 -0.368 -2.216 1000 HB2 TRP 140 1HB TRP 140 104.955 0.170 -5.076 1001 HB3 TRP 140 2HB TRP 140 104.407 -1.384 -4.478 1002 HD1 TRP 140 HD1 TRP 140 101.825 -1.388 -3.457 1003 HE1 TRP 140 HE1 TRP 140 99.760 -0.119 -4.334 1004 HE3 TRP 140 HE3 TRP 140 104.126 2.221 -6.243 1005 HZ2 TRP 140 HZ2 TRP 140 99.161 2.132 -6.001 1006 HZ3 TRP 140 HZ3 TRP 140 102.788 3.911 -7.462 1007 HH2 TRP 140 HH2 TRP 140 100.312 3.873 -7.347 1008 H ILE 141 H ILE 141 105.492 -2.022 -1.600 1009 HA ILE 141 HA ILE 141 108.388 -1.627 -2.108 1010 HB ILE 141 HB ILE 141 107.166 -2.675 0.456 1011 HG12 ILE 141 1HG1 ILE 141 108.264 -0.364 1.244 1012 HG13 ILE 141 2HG1 ILE 141 107.916 0.091 -0.424 1013 HG21 ILE 141 1HG2 ILE 141 109.520 -2.219 1.271 1014 HG22 ILE 141 2HG2 ILE 141 109.973 -1.945 -0.411 1015 HG23 ILE 141 3HG2 ILE 141 109.382 -3.526 0.098 1016 HD11 ILE 141 3HD1 ILE 141 106.104 0.461 1.457 1017 HD12 ILE 141 1HD1 ILE 141 105.773 -1.249 1.184 1018 HD13 ILE 141 2HD1 ILE 141 105.620 -0.098 -0.144 1019 H ALA 142 H ALA 142 109.496 -3.381 -2.764 1020 HA ALA 142 HA ALA 142 108.253 -6.050 -2.408 1021 HB1 ALA 142 1HB ALA 142 108.096 -5.293 -4.780 1022 HB2 ALA 142 2HB ALA 142 109.114 -6.719 -4.584 1023 HB3 ALA 142 3HB ALA 142 109.852 -5.132 -4.813 1024 H GLY 143 H GLY 143 109.557 -7.454 -1.352 1025 HA2 GLY 143 1HA GLY 143 112.471 -6.933 -1.348 1026 HA3 GLY 143 2HA GLY 143 111.605 -7.084 0.177 1027 H VAL 144 H VAL 144 113.774 -8.696 -0.800 1028 HA VAL 144 HA VAL 144 112.467 -11.347 -0.806 1029 HB VAL 144 HB VAL 144 115.011 -10.615 -2.286 1030 HG11 VAL 144 1HG1 VAL 144 115.019 -12.919 -1.486 1031 HG12 VAL 144 2HG1 VAL 144 114.727 -12.915 -3.226 1032 HG13 VAL 144 3HG1 VAL 144 113.389 -13.171 -2.108 1033 HG21 VAL 144 3HG2 VAL 144 113.716 -10.891 -4.323 1034 HG22 VAL 144 1HG2 VAL 144 112.898 -9.704 -3.307 1035 HG23 VAL 144 2HG2 VAL 144 112.286 -11.356 -3.398 1036 H GLY 145 H GLY 145 113.537 -12.934 0.458 1037 HA2 GLY 145 1HA GLY 145 115.881 -12.132 1.990 1038 HA3 GLY 145 2HA GLY 145 114.388 -12.279 2.906 1039 H TYR 146 H TYR 146 116.200 -13.806 3.830 1040 HA TYR 146 HA TYR 146 115.542 -16.519 2.905 1041 HB2 TYR 146 1HB TYR 146 117.823 -17.238 3.118 1042 HB3 TYR 146 2HB TYR 146 117.767 -15.870 2.027 1043 HD1 TYR 146 HD1 TYR 146 118.637 -13.658 2.746 1044 HD2 TYR 146 HD2 TYR 146 118.967 -17.147 5.232 1045 HE1 TYR 146 HE1 TYR 146 120.346 -12.511 4.130 1046 HE2 TYR 146 HE2 TYR 146 120.677 -16.000 6.613 1047 HH TYR 146 HH TYR 146 121.516 -12.600 6.049 1048 H ARG 147 H ARG 147 116.301 -18.154 4.611 1049 HA ARG 147 HA ARG 147 115.598 -17.092 7.289 1050 HB2 ARG 147 1HB ARG 147 114.947 -19.775 6.040 1051 HB3 ARG 147 2HB ARG 147 114.572 -19.309 7.699 1052 HG2 ARG 147 1HG ARG 147 113.166 -17.471 6.897 1053 HG3 ARG 147 2HG ARG 147 113.576 -17.864 5.226 1054 HD2 ARG 147 1HD ARG 147 111.433 -18.853 5.683 1055 HD3 ARG 147 2HD ARG 147 112.608 -20.159 5.612 1056 HE ARG 147 HE ARG 147 111.216 -19.177 7.990 1057 HH11 ARG 147 1HH1 ARG 147 113.742 -21.270 6.727 1058 HH12 ARG 147 2HH1 ARG 147 113.753 -22.268 8.142 1059 HH21 ARG 147 1HH2 ARG 147 111.283 -20.500 9.781 1060 HH22 ARG 147 2HH2 ARG 147 112.383 -21.836 9.847 1061 H PHE 148 H PHE 148 116.652 -17.966 9.073 1062 HA PHE 148 HA PHE 148 118.549 -18.593 10.204 1063 HB2 PHE 148 1HB PHE 148 118.990 -20.945 10.121 1064 HB3 PHE 148 2HB PHE 148 117.265 -20.681 9.999 1065 HD1 PHE 148 HD1 PHE 148 120.304 -21.772 8.236 1066 HD2 PHE 148 HD2 PHE 148 116.056 -21.205 7.943 1067 HE1 PHE 148 HE1 PHE 148 120.261 -23.151 6.174 1068 HE2 PHE 148 HE2 PHE 148 116.014 -22.582 5.881 1069 HZ PHE 148 HZ PHE 148 118.116 -23.555 4.996 Start of MODEL 15 1 H1 ALA 1 3H ALA 1 117.978 -17.299 18.412 2 H2 ALA 1 2H ALA 1 118.492 -18.915 18.518 3 H3 ALA 1 HT3 ALA 1 117.450 -18.273 19.695 4 HA ALA 1 HA ALA 1 116.376 -19.754 17.994 5 HB1 ALA 1 2HB ALA 1 114.402 -18.361 17.884 6 HB2 ALA 1 3HB ALA 1 115.362 -16.900 18.118 7 HB3 ALA 1 1HB ALA 1 115.186 -18.061 19.435 8 H THR 2 H THR 2 115.082 -19.291 15.876 9 HA THR 2 HA THR 2 117.053 -18.566 13.864 10 HB THR 2 HB THR 2 115.447 -19.480 12.261 11 HG1 THR 2 HG1 THR 2 113.533 -20.470 13.338 12 HG21 THR 2 3HG2 THR 2 115.692 -21.207 14.739 13 HG22 THR 2 1HG2 THR 2 116.936 -21.023 13.502 14 HG23 THR 2 2HG2 THR 2 115.396 -21.784 13.099 15 H SER 3 H SER 3 116.339 -17.264 11.968 16 HA SER 3 HA SER 3 114.352 -15.226 12.371 17 HB2 SER 3 1HB SER 3 115.829 -13.334 12.598 18 HB3 SER 3 2HB SER 3 116.228 -14.480 13.873 19 HG SER 3 HG SER 3 117.912 -13.479 12.272 20 H THR 4 H THR 4 114.588 -13.513 10.574 21 HA THR 4 HA THR 4 115.739 -14.769 8.144 22 HB THR 4 HB THR 4 113.859 -13.921 6.862 23 HG1 THR 4 HG1 THR 4 112.102 -12.988 8.072 24 HG21 THR 4 3HG2 THR 4 113.106 -15.497 9.333 25 HG22 THR 4 1HG2 THR 4 113.508 -16.123 7.735 26 HG23 THR 4 2HG2 THR 4 112.003 -15.240 7.981 27 H VAL 5 H VAL 5 116.373 -13.336 6.483 28 HA VAL 5 HA VAL 5 116.805 -10.524 7.326 29 HB VAL 5 HB VAL 5 118.681 -12.221 5.652 30 HG11 VAL 5 1HG1 VAL 5 120.210 -10.235 6.099 31 HG12 VAL 5 2HG1 VAL 5 118.786 -9.375 6.683 32 HG13 VAL 5 3HG1 VAL 5 118.863 -9.917 5.006 33 HG21 VAL 5 3HG2 VAL 5 120.177 -12.119 7.602 34 HG22 VAL 5 1HG2 VAL 5 118.653 -12.889 8.043 35 HG23 VAL 5 2HG2 VAL 5 118.959 -11.215 8.504 36 H THR 6 H THR 6 115.938 -9.066 5.970 37 HA THR 6 HA THR 6 115.290 -9.921 3.208 38 HB THR 6 HB THR 6 113.526 -8.227 4.989 39 HG1 THR 6 HG1 THR 6 112.758 -10.037 5.671 40 HG21 THR 6 3HG2 THR 6 111.885 -8.921 3.099 41 HG22 THR 6 1HG2 THR 6 113.343 -9.294 2.178 42 HG23 THR 6 2HG2 THR 6 113.060 -7.652 2.753 43 H GLY 7 H GLY 7 115.617 -8.450 1.619 44 HA2 GLY 7 1HA GLY 7 116.128 -5.638 2.387 45 HA3 GLY 7 2HA GLY 7 117.203 -6.460 1.252 46 H GLY 8 H GLY 8 115.198 -4.138 0.962 47 HA2 GLY 8 1HA GLY 8 114.040 -5.089 -1.542 48 HA3 GLY 8 2HA GLY 8 112.881 -4.661 -0.291 49 H TYR 9 H TYR 9 112.516 -3.303 -2.413 50 HA TYR 9 HA TYR 9 113.884 -0.695 -2.088 51 HB2 TYR 9 1HB TYR 9 112.738 -1.874 -4.624 52 HB3 TYR 9 2HB TYR 9 113.527 -0.317 -4.471 53 HD1 TYR 9 HD1 TYR 9 115.990 -0.235 -3.897 54 HD2 TYR 9 HD2 TYR 9 113.964 -3.879 -4.932 55 HE1 TYR 9 HE1 TYR 9 118.173 -1.315 -4.366 56 HE2 TYR 9 HE2 TYR 9 116.146 -4.959 -5.403 57 HH TYR 9 HH TYR 9 118.985 -3.899 -4.346 58 H ALA 10 H ALA 10 112.583 1.151 -2.310 59 HA ALA 10 HA ALA 10 109.663 0.698 -2.213 60 HB1 ALA 10 1HB ALA 10 111.310 2.538 -0.454 61 HB2 ALA 10 2HB ALA 10 110.500 1.061 0.068 62 HB3 ALA 10 3HB ALA 10 109.549 2.448 -0.465 63 H GLN 11 H GLN 11 108.439 2.186 -3.310 64 HA GLN 11 HA GLN 11 109.822 4.590 -4.372 65 HB2 GLN 11 1HB GLN 11 107.731 2.940 -5.819 66 HB3 GLN 11 2HB GLN 11 108.543 4.377 -6.435 67 HG2 GLN 11 1HG GLN 11 109.877 1.746 -5.732 68 HG3 GLN 11 2HG GLN 11 109.567 2.341 -7.359 69 HE21 GLN 11 1HE2 GLN 11 112.108 1.924 -5.423 70 HE22 GLN 11 2HE2 GLN 11 113.025 3.308 -5.776 71 H SER 12 H SER 12 108.781 6.463 -3.955 72 HA SER 12 HA SER 12 106.018 6.283 -2.879 73 HB2 SER 12 1HB SER 12 106.504 8.098 -1.425 74 HB3 SER 12 2HB SER 12 107.872 7.001 -1.288 75 HG SER 12 HG SER 12 108.135 9.437 -1.733 76 H ASP 13 H ASP 13 104.525 7.836 -3.520 77 HA ASP 13 HA ASP 13 104.942 8.721 -6.235 78 HB2 ASP 13 1HB ASP 13 102.590 9.428 -6.128 79 HB3 ASP 13 2HB ASP 13 102.791 7.775 -5.550 80 H ALA 14 H ALA 14 105.012 10.773 -7.022 81 HA ALA 14 HA ALA 14 105.879 12.797 -5.083 82 HB1 ALA 14 1HB ALA 14 106.124 13.263 -8.013 83 HB2 ALA 14 2HB ALA 14 107.111 11.981 -7.317 84 HB3 ALA 14 3HB ALA 14 107.252 13.632 -6.709 85 H GLN 15 H GLN 15 104.948 14.768 -4.887 86 HA GLN 15 HA GLN 15 102.351 15.196 -6.153 87 HB2 GLN 15 1HB GLN 15 103.821 16.930 -4.148 88 HB3 GLN 15 2HB GLN 15 102.137 17.084 -4.631 89 HG2 GLN 15 1HG GLN 15 103.361 14.708 -3.201 90 HG3 GLN 15 2HG GLN 15 102.312 15.921 -2.475 91 HE21 GLN 15 1HE2 GLN 15 102.124 12.826 -3.360 92 HE22 GLN 15 2HE2 GLN 15 100.546 12.757 -3.985 93 H GLY 16 H GLY 16 101.902 17.228 -7.282 94 HA2 GLY 16 1HA GLY 16 103.531 17.489 -9.489 95 HA3 GLY 16 2HA GLY 16 102.352 18.696 -8.999 96 H GLN 17 H GLN 17 104.969 19.018 -10.247 97 HA GLN 17 HA GLN 17 106.796 20.391 -10.174 98 HB2 GLN 17 1HB GLN 17 105.054 21.900 -9.006 99 HB3 GLN 17 2HB GLN 17 105.875 21.453 -7.513 100 HG2 GLN 17 1HG GLN 17 107.998 22.326 -8.389 101 HG3 GLN 17 2HG GLN 17 107.229 22.687 -9.931 102 HE21 GLN 17 1HE2 GLN 17 108.429 24.812 -8.677 103 HE22 GLN 17 2HE2 GLN 17 107.270 25.846 -7.996 104 H MET 18 H MET 18 106.642 17.698 -8.689 105 HA MET 18 HA MET 18 109.342 17.942 -7.614 106 HB2 MET 18 1HB MET 18 107.056 16.804 -5.991 107 HB3 MET 18 2HB MET 18 108.761 16.602 -5.589 108 HG2 MET 18 1HG MET 18 108.970 19.123 -5.610 109 HG3 MET 18 2HG MET 18 107.215 19.201 -5.750 110 HE1 MET 18 3HE MET 18 106.457 16.509 -3.880 111 HE2 MET 18 1HE MET 18 105.634 18.019 -4.288 112 HE3 MET 18 2HE MET 18 105.877 17.573 -2.600 113 H ASN 19 H ASN 19 110.278 15.735 -7.169 114 HA ASN 19 HA ASN 19 109.296 13.846 -9.224 115 HB2 ASN 19 1HB ASN 19 112.078 14.192 -8.085 116 HB3 ASN 19 2HB ASN 19 111.612 13.034 -9.331 117 HD21 ASN 19 1HD2 ASN 19 109.933 14.605 -10.957 118 HD22 ASN 19 2HD2 ASN 19 110.832 15.882 -11.623 119 H LYS 20 H LYS 20 109.440 11.587 -8.798 120 HA LYS 20 HA LYS 20 108.488 10.780 -6.291 121 HB2 LYS 20 1HB LYS 20 108.730 8.518 -7.097 122 HB3 LYS 20 2HB LYS 20 108.171 9.534 -8.420 123 HG2 LYS 20 1HG LYS 20 110.538 9.716 -9.215 124 HG3 LYS 20 2HG LYS 20 111.011 8.578 -7.954 125 HD2 LYS 20 1HD LYS 20 109.278 6.978 -8.923 126 HD3 LYS 20 2HD LYS 20 109.174 8.074 -10.303 127 HE2 LYS 20 1HE LYS 20 111.693 6.703 -9.319 128 HE3 LYS 20 2HE LYS 20 110.781 6.273 -10.765 129 HZ1 LYS 20 3HZ LYS 20 112.658 7.677 -11.314 130 HZ2 LYS 20 1HZ LYS 20 112.108 8.881 -10.253 131 HZ3 LYS 20 2HZ LYS 20 111.203 8.492 -11.638 132 H MET 21 H MET 21 109.570 9.016 -4.945 133 HA MET 21 HA MET 21 112.401 9.784 -4.439 134 HB2 MET 21 1HB MET 21 110.602 10.651 -2.800 135 HB3 MET 21 2HB MET 21 110.478 8.973 -2.271 136 HG2 MET 21 1HG MET 21 112.961 8.978 -1.893 137 HG3 MET 21 2HG MET 21 112.960 10.707 -2.234 138 HE1 MET 21 3HE MET 21 109.923 11.580 -0.389 139 HE2 MET 21 1HE MET 21 111.231 12.125 -1.447 140 HE3 MET 21 2HE MET 21 111.273 12.499 0.275 141 H GLY 22 H GLY 22 113.797 8.125 -3.730 142 HA2 GLY 22 1HA GLY 22 112.713 5.377 -4.078 143 HA3 GLY 22 2HA GLY 22 114.299 5.873 -4.664 144 H GLY 23 H GLY 23 113.206 3.917 -2.496 145 HA2 GLY 23 1HA GLY 23 115.091 4.737 -0.379 146 HA3 GLY 23 2HA GLY 23 113.434 4.318 0.042 147 H PHE 24 H PHE 24 116.106 3.065 0.696 148 HA PHE 24 HA PHE 24 115.449 0.310 -0.209 149 HB2 PHE 24 1HB PHE 24 117.804 -0.245 0.018 150 HB3 PHE 24 2HB PHE 24 117.607 1.079 -1.112 151 HD1 PHE 24 HD1 PHE 24 118.852 0.068 2.194 152 HD2 PHE 24 HD2 PHE 24 118.386 3.332 -0.556 153 HE1 PHE 24 HE1 PHE 24 120.465 1.410 3.514 154 HE2 PHE 24 HE2 PHE 24 119.999 4.675 0.764 155 HZ PHE 24 HZ PHE 24 121.039 3.714 2.800 156 H ASN 25 H ASN 25 115.451 -1.306 1.429 157 HA ASN 25 HA ASN 25 115.862 -0.351 4.180 158 HB2 ASN 25 1HB ASN 25 113.635 -1.120 4.873 159 HB3 ASN 25 2HB ASN 25 113.537 0.176 3.686 160 HD21 ASN 25 1HD2 ASN 25 111.666 -0.318 2.509 161 HD22 ASN 25 2HD2 ASN 25 111.372 -1.817 1.772 162 H LEU 26 H LEU 26 116.026 -1.910 5.756 163 HA LEU 26 HA LEU 26 116.316 -4.708 4.827 164 HB2 LEU 26 1HB LEU 26 118.074 -3.053 6.630 165 HB3 LEU 26 2HB LEU 26 117.984 -4.795 6.854 166 HG LEU 26 HG LEU 26 119.889 -4.115 5.427 167 HD11 LEU 26 1HD1 LEU 26 119.670 -5.877 3.929 168 HD12 LEU 26 2HD1 LEU 26 117.966 -5.544 3.626 169 HD13 LEU 26 3HD1 LEU 26 118.463 -6.288 5.147 170 HD21 LEU 26 3HD2 LEU 26 118.344 -2.205 4.382 171 HD22 LEU 26 1HD2 LEU 26 118.053 -3.449 3.165 172 HD23 LEU 26 2HD2 LEU 26 119.696 -2.895 3.487 173 H LYS 27 H LYS 27 115.470 -6.287 6.243 174 HA LYS 27 HA LYS 27 114.084 -5.279 8.644 175 HB2 LYS 27 1HB LYS 27 112.483 -5.328 6.734 176 HB3 LYS 27 2HB LYS 27 112.793 -7.057 6.567 177 HG2 LYS 27 1HG LYS 27 111.978 -7.464 8.830 178 HG3 LYS 27 2HG LYS 27 111.767 -5.734 9.094 179 HD2 LYS 27 1HD LYS 27 109.604 -6.648 8.545 180 HD3 LYS 27 2HD LYS 27 110.155 -5.716 7.154 181 HE2 LYS 27 1HE LYS 27 109.200 -7.917 6.496 182 HE3 LYS 27 2HE LYS 27 110.892 -7.759 6.031 183 HZ1 LYS 27 3HZ LYS 27 110.044 -9.023 8.572 184 HZ2 LYS 27 1HZ LYS 27 111.567 -9.094 7.827 185 HZ3 LYS 27 2HZ LYS 27 110.245 -9.905 7.133 186 H TYR 28 H TYR 28 114.073 -6.636 10.334 187 HA TYR 28 HA TYR 28 115.163 -9.368 9.941 188 HB2 TYR 28 1HB TYR 28 115.452 -7.563 12.350 189 HB3 TYR 28 2HB TYR 28 116.079 -9.195 12.208 190 HD1 TYR 28 HD2 TYR 28 118.038 -9.673 10.819 191 HD2 TYR 28 HD1 TYR 28 116.480 -5.687 11.188 192 HE1 TYR 28 HE2 TYR 28 120.130 -8.764 9.844 193 HE2 TYR 28 HE1 TYR 28 118.570 -4.779 10.213 194 HH TYR 28 HH TYR 28 120.671 -5.263 9.595 195 H ARG 29 H ARG 29 114.078 -11.037 10.934 196 HA ARG 29 HA ARG 29 111.674 -10.362 12.511 197 HB2 ARG 29 1HB ARG 29 111.038 -10.792 10.140 198 HB3 ARG 29 2HB ARG 29 111.750 -12.399 10.274 199 HG2 ARG 29 1HG ARG 29 110.194 -12.986 12.058 200 HG3 ARG 29 2HG ARG 29 109.518 -11.357 12.044 201 HD2 ARG 29 1HD ARG 29 108.029 -12.746 10.763 202 HD3 ARG 29 2HD ARG 29 108.908 -11.734 9.619 203 HE ARG 29 HE ARG 29 110.396 -14.051 9.847 204 HH11 ARG 29 1HH1 ARG 29 107.112 -13.293 8.863 205 HH12 ARG 29 2HH1 ARG 29 107.009 -14.658 7.803 206 HH21 ARG 29 1HH2 ARG 29 110.201 -15.795 8.468 207 HH22 ARG 29 2HH2 ARG 29 108.736 -16.056 7.582 208 H TYR 30 H TYR 30 111.138 -11.798 14.115 209 HA TYR 30 HA TYR 30 113.084 -13.950 14.639 210 HB2 TYR 30 1HB TYR 30 111.031 -12.650 16.436 211 HB3 TYR 30 2HB TYR 30 112.122 -13.933 16.919 212 HD1 TYR 30 HD1 TYR 30 114.547 -13.501 17.153 213 HD2 TYR 30 HD2 TYR 30 111.774 -10.367 16.184 214 HE1 TYR 30 HE1 TYR 30 116.258 -11.804 17.740 215 HE2 TYR 30 HE2 TYR 30 113.484 -8.671 16.773 216 HH TYR 30 HH TYR 30 115.681 -8.785 18.458 217 H GLU 31 H GLU 31 112.399 -16.089 14.918 218 HA GLU 31 HA GLU 31 109.840 -16.651 13.614 219 HB2 GLU 31 1HB GLU 31 112.100 -18.487 14.440 220 HB3 GLU 31 2HB GLU 31 110.683 -18.972 13.510 221 HG2 GLU 31 1HG GLU 31 112.686 -16.861 12.660 222 HG3 GLU 31 2HG GLU 31 112.637 -18.509 12.049 223 H GLU 32 H GLU 32 108.102 -16.984 14.737 224 HA GLU 32 HA GLU 32 108.270 -18.102 17.465 225 HB2 GLU 32 1HB GLU 32 106.478 -15.866 16.487 226 HB3 GLU 32 2HB GLU 32 106.404 -16.605 18.087 227 HG2 GLU 32 1HG GLU 32 108.829 -15.208 16.923 228 HG3 GLU 32 2HG GLU 32 107.728 -14.507 18.101 229 H ASP 33 H ASP 33 106.424 -19.274 18.166 230 HA ASP 33 HA ASP 33 105.341 -20.938 16.096 231 HB2 ASP 33 1HB ASP 33 104.786 -20.833 19.069 232 HB3 ASP 33 2HB ASP 33 104.197 -22.085 17.980 233 H ASN 34 H ASN 34 102.856 -21.541 16.555 234 HA ASN 34 HA ASN 34 101.349 -19.499 15.404 235 HB2 ASN 34 1HB ASN 34 100.447 -21.903 16.998 236 HB3 ASN 34 2HB ASN 34 99.376 -20.882 16.039 237 HD21 ASN 34 1HD2 ASN 34 100.683 -20.455 13.688 238 HD22 ASN 34 2HD2 ASN 34 101.085 -21.919 12.928 239 H SER 35 H SER 35 101.942 -20.144 18.840 240 HA SER 35 HA SER 35 99.622 -18.526 19.579 241 HB2 SER 35 1HB SER 35 100.482 -20.765 20.672 242 HB3 SER 35 2HB SER 35 101.485 -19.661 21.607 243 HG SER 35 HG SER 35 98.669 -19.453 21.268 244 HA PRO 36 HA PRO 36 102.721 -15.359 20.701 245 HB2 PRO 36 1HB PRO 36 105.465 -15.893 20.295 246 HB3 PRO 36 2HB PRO 36 104.595 -15.959 21.835 247 HG2 PRO 36 1HG PRO 36 105.751 -18.108 20.471 248 HG3 PRO 36 2HG PRO 36 104.659 -18.193 21.862 249 HD2 PRO 36 1HD PRO 36 104.043 -18.548 18.968 250 HD3 PRO 36 2HD PRO 36 103.294 -19.331 20.378 251 H LEU 37 H LEU 37 103.124 -13.609 19.407 252 HA LEU 37 HA LEU 37 103.027 -14.034 16.558 253 HB2 LEU 37 1HB LEU 37 103.243 -11.453 18.125 254 HB3 LEU 37 2HB LEU 37 102.817 -11.604 16.420 255 HG LEU 37 HG LEU 37 101.238 -12.821 18.706 256 HD11 LEU 37 1HD1 LEU 37 99.548 -11.060 18.015 257 HD12 LEU 37 2HD1 LEU 37 100.826 -10.317 17.055 258 HD13 LEU 37 3HD1 LEU 37 100.992 -10.429 18.807 259 HD21 LEU 37 3HD2 LEU 37 100.828 -14.129 16.776 260 HD22 LEU 37 1HD2 LEU 37 100.901 -12.729 15.707 261 HD23 LEU 37 2HD2 LEU 37 99.515 -12.953 16.773 262 H GLY 38 H GLY 38 104.469 -12.906 15.041 263 HA2 GLY 38 1HA GLY 38 107.267 -13.263 15.877 264 HA3 GLY 38 2HA GLY 38 106.685 -13.149 14.217 265 H VAL 39 H VAL 39 108.797 -11.570 15.775 266 HA VAL 39 HA VAL 39 107.546 -8.884 15.714 267 HB VAL 39 HB VAL 39 110.133 -9.754 17.032 268 HG11 VAL 39 1HG1 VAL 39 109.682 -7.506 18.241 269 HG12 VAL 39 2HG1 VAL 39 108.593 -7.162 16.898 270 HG13 VAL 39 3HG1 VAL 39 110.307 -7.438 16.593 271 HG21 VAL 39 3HG2 VAL 39 108.442 -10.773 18.318 272 HG22 VAL 39 1HG2 VAL 39 107.306 -9.453 18.037 273 HG23 VAL 39 2HG2 VAL 39 108.675 -9.221 19.125 274 H ILE 40 H ILE 40 108.096 -7.513 14.128 275 HA ILE 40 HA ILE 40 110.592 -8.051 12.617 276 HB ILE 40 HB ILE 40 109.437 -7.210 10.612 277 HG12 ILE 40 1HG1 ILE 40 106.902 -7.335 12.265 278 HG13 ILE 40 2HG1 ILE 40 107.757 -5.829 11.933 279 HG21 ILE 40 1HG2 ILE 40 107.838 -9.164 10.381 280 HG22 ILE 40 2HG2 ILE 40 108.150 -9.525 12.078 281 HG23 ILE 40 3HG2 ILE 40 109.465 -9.594 10.905 282 HD11 ILE 40 3HD1 ILE 40 105.874 -6.342 10.325 283 HD12 ILE 40 1HD1 ILE 40 106.821 -7.720 9.763 284 HD13 ILE 40 2HD1 ILE 40 107.443 -6.082 9.561 285 H GLY 41 H GLY 41 111.842 -6.332 12.084 286 HA2 GLY 41 1HA GLY 41 110.843 -3.614 12.647 287 HA3 GLY 41 2HA GLY 41 112.378 -4.131 13.348 288 H SER 42 H SER 42 111.573 -2.092 11.169 289 HA SER 42 HA SER 42 113.549 -2.995 9.166 290 HB2 SER 42 1HB SER 42 111.271 -3.478 8.306 291 HB3 SER 42 2HB SER 42 110.863 -1.776 8.495 292 HG SER 42 HG SER 42 112.185 -1.272 6.868 293 H PHE 43 H PHE 43 114.820 -1.439 8.326 294 HA PHE 43 HA PHE 43 114.311 1.366 9.150 295 HB2 PHE 43 1HB PHE 43 116.250 0.318 10.319 296 HB3 PHE 43 2HB PHE 43 116.986 0.013 8.757 297 HD1 PHE 43 HD1 PHE 43 117.928 1.842 7.430 298 HD2 PHE 43 HD2 PHE 43 116.119 2.560 11.257 299 HE1 PHE 43 HE1 PHE 43 118.951 4.101 7.488 300 HE2 PHE 43 HE2 PHE 43 117.139 4.820 11.316 301 HZ PHE 43 HZ PHE 43 118.556 5.591 9.433 302 H THR 44 H THR 44 114.238 2.816 7.495 303 HA THR 44 HA THR 44 115.234 1.939 4.844 304 HB THR 44 HB THR 44 112.792 1.663 4.964 305 HG1 THR 44 HG1 THR 44 112.576 2.487 3.028 306 HG21 THR 44 3HG2 THR 44 112.566 4.653 5.270 307 HG22 THR 44 1HG2 THR 44 112.560 3.584 6.673 308 HG23 THR 44 2HG2 THR 44 111.306 3.430 5.442 309 H TYR 45 H TYR 45 116.168 3.452 3.569 310 HA TYR 45 HA TYR 45 116.252 6.246 4.548 311 HB2 TYR 45 1HB TYR 45 118.388 5.052 4.998 312 HB3 TYR 45 2HB TYR 45 118.525 4.697 3.288 313 HD1 TYR 45 HD1 TYR 45 119.102 6.451 1.679 314 HD2 TYR 45 HD2 TYR 45 118.764 7.292 5.878 315 HE1 TYR 45 HE1 TYR 45 120.266 8.615 1.341 316 HE2 TYR 45 HE2 TYR 45 119.926 9.455 5.537 317 HH TYR 45 HH TYR 45 120.780 10.869 4.053 318 H THR 46 H THR 46 115.933 7.796 2.944 319 HA THR 46 HA THR 46 115.465 6.726 0.213 320 HB THR 46 HB THR 46 113.600 8.189 -0.055 321 HG1 THR 46 HG1 THR 46 114.173 9.980 1.032 322 HG21 THR 46 3HG2 THR 46 113.338 6.974 2.705 323 HG22 THR 46 1HG2 THR 46 113.210 6.052 1.208 324 HG23 THR 46 2HG2 THR 46 112.036 7.318 1.567 325 H GLU 47 H GLU 47 115.824 8.136 -1.537 326 HA GLU 47 HA GLU 47 117.366 10.573 -0.963 327 HB2 GLU 47 1HB GLU 47 118.273 8.341 -2.798 328 HB3 GLU 47 2HB GLU 47 119.060 9.910 -2.637 329 HG2 GLU 47 1HG GLU 47 119.399 9.459 -0.214 330 HG3 GLU 47 2HG GLU 47 118.692 7.864 -0.433 331 H LYS 48 H LYS 48 117.497 12.026 -2.747 332 HA LYS 48 HA LYS 48 115.533 11.537 -4.911 333 HB2 LYS 48 1HB LYS 48 116.334 14.141 -3.587 334 HB3 LYS 48 2HB LYS 48 115.306 14.020 -5.016 335 HG2 LYS 48 1HG LYS 48 113.718 12.609 -3.709 336 HG3 LYS 48 2HG LYS 48 114.719 12.859 -2.277 337 HD2 LYS 48 1HD LYS 48 114.410 15.320 -2.535 338 HD3 LYS 48 2HD LYS 48 113.325 15.016 -3.888 339 HE2 LYS 48 1HE LYS 48 112.730 13.593 -1.330 340 HE3 LYS 48 2HE LYS 48 112.417 15.327 -1.386 341 HZ1 LYS 48 3HZ LYS 48 111.376 13.301 -3.289 342 HZ2 LYS 48 1HZ LYS 48 111.120 14.974 -3.409 343 HZ3 LYS 48 2HZ LYS 48 110.481 14.113 -2.092 344 H SER 49 H SER 49 116.142 12.142 -7.009 345 HA SER 49 HA SER 49 118.866 13.183 -7.386 346 HB2 SER 49 1HB SER 49 117.840 10.520 -8.294 347 HB3 SER 49 2HB SER 49 118.971 11.392 -9.322 348 HG SER 49 HG SER 49 120.434 11.416 -7.635 349 H ARG 50 H ARG 50 117.779 15.117 -8.029 350 HA ARG 50 HA ARG 50 115.757 15.257 -9.976 351 HB2 ARG 50 1HB ARG 50 116.451 17.141 -8.496 352 HB3 ARG 50 2HB ARG 50 117.918 17.313 -9.461 353 HG2 ARG 50 1HG ARG 50 116.526 17.675 -11.485 354 HG3 ARG 50 2HG ARG 50 115.075 17.569 -10.486 355 HD2 ARG 50 1HD ARG 50 115.926 19.485 -9.126 356 HD3 ARG 50 2HD ARG 50 117.285 19.629 -10.239 357 HE ARG 50 HE ARG 50 115.078 19.719 -11.859 358 HH11 ARG 50 1HH1 ARG 50 116.111 21.593 -9.075 359 HH12 ARG 50 2HH1 ARG 50 115.286 23.020 -9.608 360 HH21 ARG 50 1HH2 ARG 50 114.036 21.587 -12.490 361 HH22 ARG 50 2HH2 ARG 50 114.127 23.016 -11.516 362 H THR 51 H THR 51 119.289 15.377 -10.296 363 HA THR 51 HA THR 51 118.992 14.604 -13.123 364 HB THR 51 HB THR 51 120.903 16.745 -12.157 365 HG1 THR 51 HG1 THR 51 119.516 18.158 -13.142 366 HG21 THR 51 3HG2 THR 51 121.755 15.495 -14.063 367 HG22 THR 51 1HG2 THR 51 121.214 17.084 -14.612 368 HG23 THR 51 2HG2 THR 51 120.212 15.661 -14.901 369 H ALA 52 H ALA 52 120.539 13.186 -13.857 370 HA ALA 52 HA ALA 52 122.164 11.859 -11.878 371 HB1 ALA 52 1HB ALA 52 120.997 10.839 -13.972 372 HB2 ALA 52 2HB ALA 52 122.603 10.261 -13.532 373 HB3 ALA 52 3HB ALA 52 122.414 11.426 -14.843 374 H SER 53 H SER 53 123.717 13.277 -11.140 375 HA SER 53 HA SER 53 125.790 14.056 -13.089 376 HB2 SER 53 1HB SER 53 124.630 15.860 -10.952 377 HB3 SER 53 2HB SER 53 125.999 16.246 -11.989 378 HG SER 53 HG SER 53 124.359 17.046 -13.125 379 H SER 54 H SER 54 127.856 14.570 -12.083 380 HA SER 54 HA SER 54 128.722 12.645 -10.240 381 HB2 SER 54 1HB SER 54 130.015 15.303 -10.885 382 HB3 SER 54 2HB SER 54 130.805 13.907 -10.161 383 HG SER 54 HG SER 54 129.676 14.169 -12.750 384 H GLY 55 H GLY 55 127.351 15.825 -9.691 385 HA2 GLY 55 1HA GLY 55 128.376 16.198 -7.055 386 HA3 GLY 55 2HA GLY 55 127.037 17.074 -7.781 387 H ASP 56 H ASP 56 125.809 14.202 -8.238 388 HA ASP 56 HA ASP 56 124.335 12.829 -7.151 389 HB2 ASP 56 1HB ASP 56 126.117 13.432 -4.780 390 HB3 ASP 56 2HB ASP 56 124.912 12.153 -4.846 391 H TYR 57 H TYR 57 123.055 14.949 -7.628 392 HA TYR 57 HA TYR 57 122.273 16.724 -5.627 393 HB2 TYR 57 1HB TYR 57 121.696 16.903 -8.038 394 HB3 TYR 57 2HB TYR 57 120.549 15.593 -7.833 395 HD1 TYR 57 HD1 TYR 57 118.458 15.934 -6.587 396 HD2 TYR 57 HD2 TYR 57 121.261 19.134 -7.189 397 HE1 TYR 57 HE1 TYR 57 116.722 17.578 -5.933 398 HE2 TYR 57 HE2 TYR 57 119.524 20.777 -6.533 399 HH TYR 57 HH TYR 57 116.545 20.432 -6.610 400 H ASN 58 H ASN 58 120.582 16.760 -4.155 401 HA ASN 58 HA ASN 58 118.912 14.462 -3.687 402 HB2 ASN 58 1HB ASN 58 121.203 15.067 -1.804 403 HB3 ASN 58 2HB ASN 58 119.811 14.087 -1.355 404 HD21 ASN 58 1HD2 ASN 58 119.371 12.232 -3.104 405 HD22 ASN 58 2HD2 ASN 58 120.758 11.406 -3.630 406 H LYS 59 H LYS 59 120.306 16.878 -1.459 407 HA LYS 59 HA LYS 59 119.317 18.466 -0.140 408 HB2 LYS 59 1HB LYS 59 117.647 18.774 -2.641 409 HB3 LYS 59 2HB LYS 59 117.671 19.926 -1.304 410 HG2 LYS 59 1HG LYS 59 120.140 20.165 -1.611 411 HG3 LYS 59 2HG LYS 59 120.033 19.118 -3.026 412 HD2 LYS 59 1HD LYS 59 118.395 20.718 -4.032 413 HD3 LYS 59 2HD LYS 59 118.657 21.793 -2.657 414 HE2 LYS 59 1HE LYS 59 121.110 21.800 -3.218 415 HE3 LYS 59 2HE LYS 59 120.724 20.903 -4.686 416 HZ1 LYS 59 3HZ LYS 59 120.812 23.527 -4.627 417 HZ2 LYS 59 1HZ LYS 59 119.194 23.330 -4.155 418 HZ3 LYS 59 2HZ LYS 59 119.731 22.685 -5.632 419 H ASN 60 H ASN 60 118.283 15.748 0.153 420 HA ASN 60 HA ASN 60 116.087 16.312 1.848 421 HB2 ASN 60 1HB ASN 60 114.904 16.525 -0.336 422 HB3 ASN 60 2HB ASN 60 115.350 14.859 -0.701 423 HD21 ASN 60 1HD2 ASN 60 113.559 16.824 1.719 424 HD22 ASN 60 2HD2 ASN 60 112.498 15.575 2.163 425 H GLN 61 H GLN 61 116.369 14.871 3.429 426 HA GLN 61 HA GLN 61 117.040 12.076 2.692 427 HB2 GLN 61 1HB GLN 61 118.054 13.675 5.058 428 HB3 GLN 61 2HB GLN 61 118.318 11.947 4.822 429 HG2 GLN 61 1HG GLN 61 119.510 12.381 2.733 430 HG3 GLN 61 2HG GLN 61 119.187 14.106 2.880 431 HE21 GLN 61 1HE2 GLN 61 121.861 13.091 2.735 432 HE22 GLN 61 2HE2 GLN 61 122.619 13.372 4.227 433 H TYR 62 H TYR 62 115.889 10.489 3.778 434 HA TYR 62 HA TYR 62 114.032 11.369 5.897 435 HB2 TYR 62 1HB TYR 62 113.016 11.163 3.499 436 HB3 TYR 62 2HB TYR 62 113.138 9.440 3.792 437 HD1 TYR 62 HD1 TYR 62 111.582 12.595 4.940 438 HD2 TYR 62 HD2 TYR 62 111.616 8.311 5.272 439 HE1 TYR 62 HE1 TYR 62 109.434 12.674 6.176 440 HE2 TYR 62 HE2 TYR 62 109.468 8.391 6.508 441 HH TYR 62 HH TYR 62 107.968 11.490 7.386 442 H TYR 63 H TYR 63 113.854 9.972 7.550 443 HA TYR 63 HA TYR 63 115.042 7.270 7.241 444 HB2 TYR 63 1HB TYR 63 115.026 9.002 9.718 445 HB3 TYR 63 2HB TYR 63 115.734 7.405 9.571 446 HD1 TYR 63 HD1 TYR 63 116.084 10.969 8.749 447 HD2 TYR 63 HD2 TYR 63 117.847 7.069 8.381 448 HE1 TYR 63 HE1 TYR 63 118.225 12.004 8.045 449 HE2 TYR 63 HE2 TYR 63 119.988 8.103 7.676 450 HH TYR 63 HH TYR 63 120.231 11.459 6.878 451 H GLY 64 H GLY 64 113.738 5.602 7.812 452 HA2 GLY 64 1HA GLY 64 111.313 6.214 9.416 453 HA3 GLY 64 2HA GLY 64 111.226 5.237 7.952 454 H ILE 65 H ILE 65 111.089 4.947 11.133 455 HA ILE 65 HA ILE 65 112.362 2.262 11.115 456 HB ILE 65 HB ILE 65 111.954 4.079 13.508 457 HG12 ILE 65 1HG1 ILE 65 114.529 3.285 12.115 458 HG13 ILE 65 2HG1 ILE 65 113.732 4.845 11.902 459 HG21 ILE 65 1HG2 ILE 65 113.502 1.485 13.256 460 HG22 ILE 65 2HG2 ILE 65 111.867 1.591 13.907 461 HG23 ILE 65 3HG2 ILE 65 113.197 2.401 14.732 462 HD11 ILE 65 3HD1 ILE 65 115.440 5.117 13.592 463 HD12 ILE 65 1HD1 ILE 65 114.853 3.710 14.476 464 HD13 ILE 65 2HD1 ILE 65 113.870 5.173 14.396 465 H THR 66 H THR 66 110.882 0.681 11.160 466 HA THR 66 HA THR 66 108.256 1.234 12.432 467 HB THR 66 HB THR 66 107.243 -0.235 10.738 468 HG1 THR 66 HG1 THR 66 108.485 -1.412 9.557 469 HG21 THR 66 3HG2 THR 66 108.729 2.243 9.963 470 HG22 THR 66 1HG2 THR 66 106.991 1.946 10.027 471 HG23 THR 66 2HG2 THR 66 107.947 1.304 8.692 472 H ALA 67 H ALA 67 107.265 -0.467 13.525 473 HA ALA 67 HA ALA 67 108.610 -3.065 13.619 474 HB1 ALA 67 1HB ALA 67 107.803 -1.711 16.192 475 HB2 ALA 67 2HB ALA 67 109.432 -1.542 15.533 476 HB3 ALA 67 3HB ALA 67 108.819 -3.136 15.974 477 H GLY 68 H GLY 68 107.149 -4.784 14.095 478 HA2 GLY 68 1HA GLY 68 104.454 -4.242 14.940 479 HA3 GLY 68 2HA GLY 68 104.560 -4.489 13.207 480 HA PRO 69 HA PRO 69 104.559 -8.725 15.044 481 HB2 PRO 69 1HB PRO 69 101.978 -9.272 15.641 482 HB3 PRO 69 2HB PRO 69 103.049 -8.432 16.777 483 HG2 PRO 69 1HG PRO 69 100.790 -7.400 15.249 484 HG3 PRO 69 2HG PRO 69 101.591 -6.727 16.677 485 HD2 PRO 69 1HD PRO 69 101.973 -6.003 13.887 486 HD3 PRO 69 2HD PRO 69 102.636 -5.217 15.335 487 H ALA 70 H ALA 70 104.761 -10.110 13.405 488 HA ALA 70 HA ALA 70 102.975 -10.195 11.128 489 HB1 ALA 70 1HB ALA 70 105.104 -12.194 11.907 490 HB2 ALA 70 2HB ALA 70 105.443 -10.715 11.009 491 HB3 ALA 70 3HB ALA 70 104.393 -11.949 10.312 492 H TYR 71 H TYR 71 101.385 -11.721 10.736 493 HA TYR 71 HA TYR 71 100.871 -13.718 12.863 494 HB2 TYR 71 1HB TYR 71 99.147 -11.925 12.727 495 HB3 TYR 71 2HB TYR 71 98.859 -12.364 11.054 496 HD1 TYR 71 HD2 TYR 71 98.413 -13.335 14.570 497 HD2 TYR 71 HD1 TYR 71 97.691 -14.438 10.481 498 HE1 TYR 71 HE2 TYR 71 96.772 -15.036 15.319 499 HE2 TYR 71 HE1 TYR 71 96.051 -16.141 11.232 500 HH TYR 71 HH TYR 71 94.865 -16.260 14.446 501 H ARG 72 H ARG 72 100.491 -15.827 12.170 502 HA ARG 72 HA ARG 72 101.504 -16.291 9.458 503 HB2 ARG 72 1HB ARG 72 101.284 -18.103 11.861 504 HB3 ARG 72 2HB ARG 72 101.872 -18.622 10.281 505 HG2 ARG 72 1HG ARG 72 103.608 -16.828 10.389 506 HG3 ARG 72 2HG ARG 72 103.070 -16.453 12.027 507 HD2 ARG 72 1HD ARG 72 103.522 -18.841 12.654 508 HD3 ARG 72 2HD ARG 72 104.213 -19.082 11.052 509 HE ARG 72 HE ARG 72 105.333 -16.897 12.628 510 HH11 ARG 72 1HH1 ARG 72 105.679 -20.239 11.604 511 HH12 ARG 72 2HH1 ARG 72 107.376 -20.271 11.949 512 HH21 ARG 72 1HH2 ARG 72 107.517 -16.999 13.044 513 HH22 ARG 72 2HH2 ARG 72 108.401 -18.460 12.757 514 H ILE 73 H ILE 73 100.071 -16.552 7.939 515 HA ILE 73 HA ILE 73 97.646 -18.144 8.376 516 HB ILE 73 HB ILE 73 98.607 -16.716 5.883 517 HG12 ILE 73 1HG1 ILE 73 98.166 -15.106 7.675 518 HG13 ILE 73 2HG1 ILE 73 96.902 -15.015 6.457 519 HG21 ILE 73 1HG2 ILE 73 96.117 -16.937 5.326 520 HG22 ILE 73 2HG2 ILE 73 96.038 -18.111 6.640 521 HG23 ILE 73 3HG2 ILE 73 97.076 -18.416 5.247 522 HD11 ILE 73 3HD1 ILE 73 96.698 -15.660 9.287 523 HD12 ILE 73 1HD1 ILE 73 95.947 -16.911 8.300 524 HD13 ILE 73 2HD1 ILE 73 95.425 -15.237 8.146 525 H ASN 74 H ASN 74 97.472 -20.234 7.657 526 HA ASN 74 HA ASN 74 99.859 -21.676 7.229 527 HB2 ASN 74 1HB ASN 74 97.740 -22.617 8.171 528 HB3 ASN 74 2HB ASN 74 97.052 -22.574 6.548 529 HD21 ASN 74 1HD2 ASN 74 99.863 -23.928 8.349 530 HD22 ASN 74 2HD2 ASN 74 100.008 -25.307 7.369 531 H ASP 75 H ASP 75 97.403 -20.489 4.937 532 HA ASP 75 HA ASP 75 98.701 -21.503 2.602 533 HB2 ASP 75 1HB ASP 75 96.304 -20.488 2.910 534 HB3 ASP 75 2HB ASP 75 97.117 -18.949 2.627 535 H TRP 76 H TRP 76 99.436 -19.626 0.925 536 HA TRP 76 HA TRP 76 101.686 -18.287 2.199 537 HB2 TRP 76 1HB TRP 76 100.827 -18.320 -0.697 538 HB3 TRP 76 2HB TRP 76 102.356 -17.722 -0.079 539 HD1 TRP 76 HD1 TRP 76 101.056 -20.577 -1.775 540 HE1 TRP 76 HE1 TRP 76 102.471 -22.692 -1.369 541 HE3 TRP 76 HE3 TRP 76 103.771 -19.054 2.271 542 HZ2 TRP 76 HZ2 TRP 76 104.490 -23.619 0.439 543 HZ3 TRP 76 HZ3 TRP 76 105.428 -20.569 3.315 544 HH2 TRP 76 HH2 TRP 76 105.792 -22.845 2.408 545 H ALA 77 H ALA 77 99.501 -17.227 3.264 546 HA ALA 77 HA ALA 77 99.003 -14.676 1.860 547 HB1 ALA 77 1HB ALA 77 97.079 -16.274 3.561 548 HB2 ALA 77 2HB ALA 77 97.023 -16.118 1.805 549 HB3 ALA 77 3HB ALA 77 96.744 -14.706 2.826 550 H SER 78 H SER 78 101.072 -15.217 3.992 551 HA SER 78 HA SER 78 99.876 -14.650 6.548 552 HB2 SER 78 1HB SER 78 102.794 -14.623 5.731 553 HB3 SER 78 2HB SER 78 102.182 -14.617 7.380 554 HG SER 78 HG SER 78 102.774 -16.711 6.124 555 H ILE 79 H ILE 79 100.232 -12.706 7.814 556 HA ILE 79 HA ILE 79 100.595 -10.328 6.093 557 HB ILE 79 HB ILE 79 98.200 -10.901 6.090 558 HG12 ILE 79 1HG1 ILE 79 98.640 -8.503 7.881 559 HG13 ILE 79 2HG1 ILE 79 99.062 -8.495 6.167 560 HG21 ILE 79 1HG2 ILE 79 98.368 -12.007 8.414 561 HG22 ILE 79 2HG2 ILE 79 96.909 -11.083 8.058 562 HG23 ILE 79 3HG2 ILE 79 98.176 -10.376 9.059 563 HD11 ILE 79 3HD1 ILE 79 96.310 -9.267 7.150 564 HD12 ILE 79 1HD1 ILE 79 96.798 -8.861 5.506 565 HD13 ILE 79 2HD1 ILE 79 96.737 -7.606 6.743 566 H TYR 80 H TYR 80 101.604 -8.695 7.061 567 HA TYR 80 HA TYR 80 101.763 -8.683 10.022 568 HB2 TYR 80 1HB TYR 80 104.060 -7.999 9.919 569 HB3 TYR 80 2HB TYR 80 103.879 -9.488 9.015 570 HD1 TYR 80 HD1 TYR 80 104.078 -9.500 6.560 571 HD2 TYR 80 HD2 TYR 80 104.625 -5.902 8.842 572 HE1 TYR 80 HE1 TYR 80 105.139 -8.417 4.598 573 HE2 TYR 80 HE2 TYR 80 105.685 -4.820 6.881 574 HH TYR 80 HH TYR 80 105.995 -6.542 3.774 575 H GLY 81 H GLY 81 101.590 -6.712 10.998 576 HA2 GLY 81 1HA GLY 81 101.235 -4.350 9.216 577 HA3 GLY 81 2HA GLY 81 100.196 -4.647 10.608 578 H VAL 82 H VAL 82 102.244 -2.463 9.881 579 HA VAL 82 HA VAL 82 103.784 -2.589 12.401 580 HB VAL 82 HB VAL 82 105.774 -1.738 11.202 581 HG11 VAL 82 1HG1 VAL 82 105.816 -4.078 11.577 582 HG12 VAL 82 2HG1 VAL 82 106.191 -3.904 9.865 583 HG13 VAL 82 3HG1 VAL 82 104.571 -4.380 10.368 584 HG21 VAL 82 3HG2 VAL 82 104.106 -2.310 8.731 585 HG22 VAL 82 1HG2 VAL 82 105.816 -1.881 8.727 586 HG23 VAL 82 2HG2 VAL 82 104.615 -0.715 9.284 587 H VAL 83 H VAL 83 104.430 -0.593 13.241 588 HA VAL 83 HA VAL 83 103.337 1.825 11.924 589 HB VAL 83 HB VAL 83 103.482 1.324 14.913 590 HG11 VAL 83 1HG1 VAL 83 102.349 3.448 15.111 591 HG12 VAL 83 2HG1 VAL 83 102.159 3.564 13.363 592 HG13 VAL 83 3HG1 VAL 83 103.763 3.690 14.086 593 HG21 VAL 83 3HG2 VAL 83 101.656 0.016 14.287 594 HG22 VAL 83 1HG2 VAL 83 101.279 1.028 12.894 595 HG23 VAL 83 2HG2 VAL 83 100.876 1.579 14.520 596 H GLY 84 H GLY 84 104.767 3.603 11.917 597 HA2 GLY 84 1HA GLY 84 107.327 3.274 13.309 598 HA3 GLY 84 2HA GLY 84 107.368 3.340 11.552 599 H VAL 85 H VAL 85 108.783 5.169 12.796 600 HA VAL 85 HA VAL 85 107.182 7.662 12.625 601 HB VAL 85 HB VAL 85 109.827 7.226 14.041 602 HG11 VAL 85 1HG1 VAL 85 109.443 9.521 13.160 603 HG12 VAL 85 2HG1 VAL 85 109.438 9.478 14.923 604 HG13 VAL 85 3HG1 VAL 85 107.915 9.582 14.040 605 HG21 VAL 85 3HG2 VAL 85 108.565 7.358 16.108 606 HG22 VAL 85 1HG2 VAL 85 107.850 6.090 15.113 607 HG23 VAL 85 2HG2 VAL 85 107.070 7.668 15.227 608 H GLY 86 H GLY 86 107.660 9.004 10.987 609 HA2 GLY 86 1HA GLY 86 110.170 8.510 9.467 610 HA3 GLY 86 2HA GLY 86 108.666 9.075 8.747 611 H TYR 87 H TYR 87 111.580 10.132 9.263 612 HA TYR 87 HA TYR 87 110.732 12.875 9.994 613 HB2 TYR 87 1HB TYR 87 112.022 11.903 11.818 614 HB3 TYR 87 2HB TYR 87 113.297 11.445 10.706 615 HD1 TYR 87 HD2 TYR 87 111.710 14.210 12.536 616 HD2 TYR 87 HD1 TYR 87 114.843 13.114 9.812 617 HE1 TYR 87 HE2 TYR 87 112.816 16.396 12.927 618 HE2 TYR 87 HE1 TYR 87 115.947 15.302 10.201 619 HH TYR 87 HH TYR 87 115.798 17.065 12.416 620 H GLY 88 H GLY 88 111.323 14.434 8.585 621 HA2 GLY 88 1HA GLY 88 113.210 13.696 6.410 622 HA3 GLY 88 2HA GLY 88 111.746 14.630 6.129 623 H LYS 89 H LYS 89 114.712 15.202 5.780 624 HA LYS 89 HA LYS 89 114.620 17.869 7.032 625 HB2 LYS 89 1HB LYS 89 116.069 16.373 8.419 626 HB3 LYS 89 2HB LYS 89 117.093 16.123 7.003 627 HG2 LYS 89 1HG LYS 89 117.462 18.579 6.866 628 HG3 LYS 89 2HG LYS 89 116.509 18.783 8.337 629 HD2 LYS 89 1HD LYS 89 118.111 17.246 9.512 630 HD3 LYS 89 2HD LYS 89 119.110 17.252 8.059 631 HE2 LYS 89 1HE LYS 89 119.461 19.637 8.225 632 HE3 LYS 89 2HE LYS 89 118.295 19.764 9.542 633 HZ1 LYS 89 3HZ LYS 89 120.282 19.689 10.664 634 HZ2 LYS 89 1HZ LYS 89 121.003 18.618 9.564 635 HZ3 LYS 89 2HZ LYS 89 119.846 18.048 10.668 636 H PHE 90 H PHE 90 115.409 19.495 5.753 637 HA PHE 90 HA PHE 90 116.242 18.713 3.025 638 HB2 PHE 90 1HB PHE 90 115.025 21.278 4.051 639 HB3 PHE 90 2HB PHE 90 115.517 20.992 2.394 640 HD1 PHE 90 HD2 PHE 90 114.228 19.509 0.934 641 HD2 PHE 90 HD1 PHE 90 113.041 20.228 5.001 642 HE1 PHE 90 HE2 PHE 90 111.998 18.539 0.455 643 HE2 PHE 90 HE1 PHE 90 110.810 19.258 4.519 644 HZ PHE 90 HZ PHE 90 110.288 18.414 2.247 645 H GLN 91 H GLN 91 118.115 19.461 2.157 646 HA GLN 91 HA GLN 91 119.924 20.936 3.971 647 HB2 GLN 91 1HB GLN 91 120.601 19.249 1.548 648 HB3 GLN 91 2HB GLN 91 121.748 19.982 2.665 649 HG2 GLN 91 1HG GLN 91 119.694 17.865 3.367 650 HG3 GLN 91 2HG GLN 91 121.426 17.603 3.194 651 HE21 GLN 91 1HE2 GLN 91 119.267 17.720 5.580 652 HE22 GLN 91 2HE2 GLN 91 120.153 18.521 6.787 653 H THR 92 H THR 92 121.004 22.757 3.266 654 HA THR 92 HA THR 92 119.981 23.964 0.765 655 HB THR 92 HB THR 92 121.270 25.369 3.114 656 HG1 THR 92 HG1 THR 92 119.328 25.553 3.958 657 HG21 THR 92 3HG2 THR 92 119.381 26.598 1.138 658 HG22 THR 92 1HG2 THR 92 121.059 26.343 0.660 659 HG23 THR 92 2HG2 THR 92 120.684 27.351 2.057 660 H THR 93 H THR 93 121.372 24.618 -0.800 661 HA THR 93 HA THR 93 123.939 23.524 -0.999 662 HB THR 93 HB THR 93 122.913 25.995 -2.416 663 HG1 THR 93 HG1 THR 93 122.780 23.314 -3.289 664 HG21 THR 93 3HG2 THR 93 125.098 23.982 -2.978 665 HG22 THR 93 1HG2 THR 93 125.249 25.732 -2.831 666 HG23 THR 93 2HG2 THR 93 124.434 25.032 -4.230 667 H GLU 94 H GLU 94 122.888 26.715 0.116 668 HA GLU 94 HA GLU 94 125.625 27.599 0.548 669 HB2 GLU 94 1HB GLU 94 122.966 28.900 1.186 670 HB3 GLU 94 2HB GLU 94 124.540 29.659 1.424 671 HG2 GLU 94 1HG GLU 94 123.847 30.452 -0.685 672 HG3 GLU 94 2HG GLU 94 124.962 29.147 -1.067 673 H TYR 95 H TYR 95 125.633 28.924 2.866 674 HA TYR 95 HA TYR 95 126.207 27.003 4.787 675 HB2 TYR 95 1HB TYR 95 125.454 29.905 5.108 676 HB3 TYR 95 2HB TYR 95 126.045 28.907 6.423 677 HD1 TYR 95 HD1 TYR 95 126.923 30.262 3.063 678 HD2 TYR 95 HD2 TYR 95 128.367 28.554 6.731 679 HE1 TYR 95 HE1 TYR 95 129.253 30.781 2.389 680 HE2 TYR 95 HE2 TYR 95 130.697 29.073 6.056 681 HH TYR 95 HH TYR 95 131.543 31.200 3.869 682 HA PRO 96 HA PRO 96 122.335 25.712 6.396 683 HB2 PRO 96 1HB PRO 96 122.820 25.372 9.074 684 HB3 PRO 96 2HB PRO 96 123.394 24.255 7.822 685 HG2 PRO 96 1HG PRO 96 124.865 26.406 9.252 686 HG3 PRO 96 2HG PRO 96 125.411 24.790 8.769 687 HD2 PRO 96 1HD PRO 96 126.081 27.034 7.375 688 HD3 PRO 96 2HD PRO 96 125.901 25.441 6.606 689 H THR 97 H THR 97 120.588 26.961 6.581 690 HA THR 97 HA THR 97 120.478 28.979 8.721 691 HB THR 97 HB THR 97 121.066 30.150 6.634 692 HG1 THR 97 HG1 THR 97 119.507 30.944 8.272 693 HG21 THR 97 3HG2 THR 97 118.385 29.295 5.543 694 HG22 THR 97 1HG2 THR 97 119.862 28.408 5.174 695 HG23 THR 97 2HG2 THR 97 119.706 30.098 4.695 696 H TYR 98 H TYR 98 118.246 29.670 9.204 697 HA TYR 98 HA TYR 98 116.540 27.479 9.606 698 HB2 TYR 98 1HB TYR 98 115.890 30.425 9.589 699 HB3 TYR 98 2HB TYR 98 114.842 29.169 10.217 700 HD1 TYR 98 HD1 TYR 98 115.600 27.819 12.215 701 HD2 TYR 98 HD2 TYR 98 117.677 31.327 10.862 702 HE1 TYR 98 HE1 TYR 98 116.735 27.994 14.413 703 HE2 TYR 98 HE2 TYR 98 118.814 31.502 13.060 704 HH TYR 98 HH TYR 98 118.824 28.990 15.326 705 H LYS 99 H LYS 99 116.613 29.912 7.039 706 HA LYS 99 HA LYS 99 114.150 29.075 5.832 707 HB2 LYS 99 1HB LYS 99 115.146 31.348 5.538 708 HB3 LYS 99 2HB LYS 99 116.432 30.616 4.575 709 HG2 LYS 99 1HG LYS 99 114.715 29.701 3.023 710 HG3 LYS 99 2HG LYS 99 113.465 30.528 3.954 711 HD2 LYS 99 1HD LYS 99 114.651 32.694 3.513 712 HD3 LYS 99 2HD LYS 99 115.759 31.821 2.452 713 HE2 LYS 99 1HE LYS 99 112.750 31.985 2.112 714 HE3 LYS 99 2HE LYS 99 113.945 32.845 1.142 715 HZ1 LYS 99 3HZ LYS 99 113.476 29.926 1.291 716 HZ2 LYS 99 1HZ LYS 99 114.888 30.584 0.622 717 HZ3 LYS 99 2HZ LYS 99 113.380 30.936 -0.072 718 H HIS 100 H HIS 100 113.792 27.697 4.203 719 HA HIS 100 HA HIS 100 114.093 26.143 2.563 720 HB2 HIS 100 1HB HIS 100 116.146 27.470 1.893 721 HB3 HIS 100 2HB HIS 100 117.075 26.360 2.881 722 HD1 HIS 100 HD1 HIS 100 114.535 26.115 0.038 723 HD2 HIS 100 HD2 HIS 100 117.980 24.216 1.420 724 HE1 HIS 100 HE1 HIS 100 115.082 24.308 -1.648 725 H ASP 101 H ASP 101 116.283 25.834 5.359 726 HA ASP 101 HA ASP 101 116.062 22.932 5.261 727 HB2 ASP 101 1HB ASP 101 117.452 24.787 7.208 728 HB3 ASP 101 2HB ASP 101 117.514 23.028 7.283 729 H THR 102 H THR 102 114.249 22.034 5.995 730 HA THR 102 HA THR 102 113.119 23.018 8.547 731 HB THR 102 HB THR 102 110.866 22.611 7.700 732 HG1 THR 102 HG1 THR 102 111.431 20.984 6.204 733 HG21 THR 102 3HG2 THR 102 111.925 24.845 7.362 734 HG22 THR 102 1HG2 THR 102 110.726 24.464 6.126 735 HG23 THR 102 2HG2 THR 102 112.446 24.322 5.762 736 H SER 103 H SER 103 111.837 21.392 9.685 737 HA SER 103 HA SER 103 112.493 18.603 8.949 738 HB2 SER 103 1HB SER 103 112.935 18.105 11.307 739 HB3 SER 103 2HB SER 103 114.029 19.358 10.732 740 HG SER 103 HG SER 103 112.956 20.835 11.887 741 H ASP 104 H ASP 104 110.945 17.054 9.565 742 HA ASP 104 HA ASP 104 108.560 17.917 10.995 743 HB2 ASP 104 1HB ASP 104 108.439 17.029 8.104 744 HB3 ASP 104 2HB ASP 104 107.041 17.222 9.160 745 H TYR 105 H TYR 105 107.459 16.252 11.919 746 HA TYR 105 HA TYR 105 108.503 13.520 11.476 747 HB2 TYR 105 1HB TYR 105 107.024 14.665 13.850 748 HB3 TYR 105 2HB TYR 105 107.609 13.021 13.709 749 HD1 TYR 105 HD1 TYR 105 108.645 16.576 13.973 750 HD2 TYR 105 HD2 TYR 105 109.875 12.467 14.218 751 HE1 TYR 105 HE1 TYR 105 110.801 17.281 14.978 752 HE2 TYR 105 HE2 TYR 105 112.031 13.173 15.218 753 HH TYR 105 HH TYR 105 112.961 16.543 15.395 754 H GLY 106 H GLY 106 107.055 11.848 11.033 755 HA2 GLY 106 1HA GLY 106 104.179 12.482 11.052 756 HA3 GLY 106 2HA GLY 106 104.906 11.886 9.562 757 H PHE 107 H PHE 107 102.829 10.544 10.978 758 HA PHE 107 HA PHE 107 104.227 8.195 12.111 759 HB2 PHE 107 1HB PHE 107 101.312 8.986 12.222 760 HB3 PHE 107 2HB PHE 107 102.003 7.551 12.956 761 HD1 PHE 107 HD1 PHE 107 103.534 7.757 14.907 762 HD2 PHE 107 HD2 PHE 107 101.530 11.161 13.216 763 HE1 PHE 107 HE1 PHE 107 104.027 9.065 16.955 764 HE2 PHE 107 HE2 PHE 107 102.023 12.467 15.266 765 HZ PHE 107 HZ PHE 107 103.271 11.420 17.134 766 H SER 108 H SER 108 104.410 6.418 10.865 767 HA SER 108 HA SER 108 102.693 6.262 8.443 768 HB2 SER 108 1HB SER 108 105.396 5.000 8.946 769 HB3 SER 108 2HB SER 108 104.465 4.925 7.453 770 HG SER 108 HG SER 108 105.847 6.610 7.198 771 H TYR 109 H TYR 109 101.601 4.439 7.956 772 HA TYR 109 HA TYR 109 101.833 2.117 9.778 773 HB2 TYR 109 1HB TYR 109 99.806 3.459 10.305 774 HB3 TYR 109 2HB TYR 109 99.276 3.275 8.646 775 HD1 TYR 109 HD1 TYR 109 99.720 1.618 11.893 776 HD2 TYR 109 HD2 TYR 109 98.416 1.132 7.829 777 HE1 TYR 109 HE1 TYR 109 98.601 -0.508 12.507 778 HE2 TYR 109 HE2 TYR 109 97.295 -0.993 8.443 779 HH TYR 109 HH TYR 109 96.672 -2.319 10.134 780 H GLY 110 H GLY 110 101.912 0.145 8.704 781 HA2 GLY 110 1HA GLY 110 101.232 0.111 5.841 782 HA3 GLY 110 2HA GLY 110 102.889 -0.261 6.297 783 H ALA 111 H ALA 111 101.222 -2.017 4.910 784 HA ALA 111 HA ALA 111 101.398 -4.303 6.714 785 HB1 ALA 111 1HB ALA 111 99.166 -5.061 6.433 786 HB2 ALA 111 2HB ALA 111 98.838 -3.870 5.176 787 HB3 ALA 111 3HB ALA 111 99.025 -3.353 6.851 788 H GLY 112 H GLY 112 101.637 -6.286 5.610 789 HA2 GLY 112 1HA GLY 112 101.644 -6.216 2.676 790 HA3 GLY 112 2HA GLY 112 103.180 -6.516 3.471 791 H LEU 113 H LEU 113 102.024 -8.289 1.691 792 HA LEU 113 HA LEU 113 101.095 -10.533 3.379 793 HB2 LEU 113 1HB LEU 113 100.835 -10.189 0.381 794 HB3 LEU 113 2HB LEU 113 100.181 -11.518 1.337 795 HG LEU 113 HG LEU 113 99.425 -8.601 1.688 796 HD11 LEU 113 1HD1 LEU 113 98.534 -9.370 -0.412 797 HD12 LEU 113 2HD1 LEU 113 97.214 -9.432 0.757 798 HD13 LEU 113 3HD1 LEU 113 98.052 -10.912 0.292 799 HD21 LEU 113 3HD2 LEU 113 99.150 -9.800 3.763 800 HD22 LEU 113 1HD2 LEU 113 98.440 -11.184 2.934 801 HD23 LEU 113 2HD2 LEU 113 97.550 -9.664 3.034 802 H GLN 114 H GLN 114 102.109 -12.659 2.994 803 HA GLN 114 HA GLN 114 104.807 -12.381 1.772 804 HB2 GLN 114 1HB GLN 114 104.843 -12.367 4.270 805 HB3 GLN 114 2HB GLN 114 104.125 -13.975 4.245 806 HG2 GLN 114 1HG GLN 114 106.027 -14.834 2.961 807 HG3 GLN 114 2HG GLN 114 106.741 -13.227 2.915 808 HE21 GLN 114 1HE2 GLN 114 108.329 -15.165 4.017 809 HE22 GLN 114 2HE2 GLN 114 108.390 -15.020 5.708 810 H PHE 115 H PHE 115 105.338 -13.848 0.307 811 HA PHE 115 HA PHE 115 104.027 -16.506 0.398 812 HB2 PHE 115 1HB PHE 115 104.919 -14.939 -2.040 813 HB3 PHE 115 2HB PHE 115 104.348 -16.595 -2.064 814 HD1 PHE 115 HD1 PHE 115 103.359 -13.078 -1.389 815 HD2 PHE 115 HD2 PHE 115 102.017 -17.095 -2.104 816 HE1 PHE 115 HE1 PHE 115 101.041 -12.250 -1.684 817 HE2 PHE 115 HE2 PHE 115 99.698 -16.269 -2.396 818 HZ PHE 115 HZ PHE 115 99.208 -13.845 -2.185 819 H ASN 116 H ASN 116 105.619 -17.935 1.059 820 HA ASN 116 HA ASN 116 108.415 -17.237 0.352 821 HB2 ASN 116 1HB ASN 116 109.074 -17.867 2.629 822 HB3 ASN 116 2HB ASN 116 107.976 -16.488 2.605 823 HD21 ASN 116 1HD2 ASN 116 108.474 -19.553 4.005 824 HD22 ASN 116 2HD2 ASN 116 106.911 -19.786 4.627 825 HA PRO 117 HA PRO 117 108.973 -21.713 0.302 826 HB2 PRO 117 1HB PRO 117 110.934 -21.540 -1.751 827 HB3 PRO 117 2HB PRO 117 109.259 -22.085 -1.935 828 HG2 PRO 117 1HG PRO 117 110.357 -19.802 -3.064 829 HG3 PRO 117 2HG PRO 117 108.631 -20.163 -2.901 830 HD2 PRO 117 1HD PRO 117 110.356 -18.426 -1.163 831 HD3 PRO 117 2HD PRO 117 108.657 -18.203 -1.654 832 H MET 118 H MET 118 111.293 -22.814 0.477 833 HA MET 118 HA MET 118 112.634 -21.533 2.627 834 HB2 MET 118 1HB MET 118 113.575 -23.828 0.887 835 HB3 MET 118 2HB MET 118 114.230 -23.394 2.464 836 HG2 MET 118 1HG MET 118 111.391 -24.303 1.907 837 HG3 MET 118 2HG MET 118 112.651 -25.263 2.676 838 HE1 MET 118 3HE MET 118 113.824 -24.720 4.744 839 HE2 MET 118 1HE MET 118 113.330 -23.579 5.999 840 HE3 MET 118 2HE MET 118 114.115 -22.996 4.534 841 H GLU 119 H GLU 119 114.610 -20.534 2.745 842 HA GLU 119 HA GLU 119 116.575 -19.562 2.150 843 HB2 GLU 119 1HB GLU 119 116.457 -21.559 0.301 844 HB3 GLU 119 2HB GLU 119 116.429 -20.150 -0.754 845 HG2 GLU 119 1HG GLU 119 118.736 -20.758 -0.454 846 HG3 GLU 119 2HG GLU 119 118.473 -19.302 0.495 847 H ASN 120 H ASN 120 117.162 -18.138 -0.294 848 HA ASN 120 HA ASN 120 116.102 -15.661 0.500 849 HB2 ASN 120 1HB ASN 120 118.290 -16.030 -0.622 850 HB3 ASN 120 2HB ASN 120 117.423 -16.329 -2.127 851 HD21 ASN 120 1HD2 ASN 120 117.774 -13.818 0.433 852 HD22 ASN 120 2HD2 ASN 120 117.493 -12.510 -0.611 853 H VAL 121 H VAL 121 114.560 -18.004 -1.380 854 HA VAL 121 HA VAL 121 113.495 -16.252 -3.393 855 HB VAL 121 HB VAL 121 112.176 -18.263 -4.085 856 HG11 VAL 121 1HG1 VAL 121 114.578 -17.624 -4.788 857 HG12 VAL 121 2HG1 VAL 121 114.052 -19.279 -5.097 858 HG13 VAL 121 3HG1 VAL 121 115.095 -18.929 -3.719 859 HG21 VAL 121 3HG2 VAL 121 113.870 -19.832 -2.163 860 HG22 VAL 121 1HG2 VAL 121 112.390 -20.319 -2.988 861 HG23 VAL 121 2HG2 VAL 121 112.314 -19.194 -1.630 862 H ALA 122 H ALA 122 112.707 -15.893 -0.372 863 HA ALA 122 HA ALA 122 109.779 -16.102 -0.752 864 HB1 ALA 122 1HB ALA 122 111.497 -15.756 1.718 865 HB2 ALA 122 2HB ALA 122 110.523 -17.160 1.282 866 HB3 ALA 122 3HB ALA 122 109.736 -15.648 1.733 867 H LEU 123 H LEU 123 108.483 -14.268 -0.706 868 HA LEU 123 HA LEU 123 109.917 -11.686 -0.693 869 HB2 LEU 123 1HB LEU 123 109.787 -12.611 -3.001 870 HB3 LEU 123 2HB LEU 123 108.030 -12.606 -2.874 871 HG LEU 123 HG LEU 123 109.433 -10.043 -2.221 872 HD11 LEU 123 1HD1 LEU 123 109.893 -9.426 -4.440 873 HD12 LEU 123 2HD1 LEU 123 108.909 -10.729 -5.107 874 HD13 LEU 123 3HD1 LEU 123 110.468 -11.091 -4.369 875 HD21 LEU 123 3HD2 LEU 123 107.094 -9.867 -2.093 876 HD22 LEU 123 1HD2 LEU 123 106.845 -10.933 -3.474 877 HD23 LEU 123 2HD2 LEU 123 107.417 -9.285 -3.725 878 H ASP 124 H ASP 124 108.757 -9.977 0.043 879 HA ASP 124 HA ASP 124 105.884 -10.401 0.633 880 HB2 ASP 124 1HB ASP 124 106.235 -8.949 2.645 881 HB3 ASP 124 2HB ASP 124 107.027 -10.517 2.737 882 H PHE 125 H PHE 125 104.527 -8.670 0.330 883 HA PHE 125 HA PHE 125 105.707 -6.243 -0.902 884 HB2 PHE 125 1HB PHE 125 104.652 -7.727 -2.597 885 HB3 PHE 125 2HB PHE 125 103.141 -7.628 -1.710 886 HD1 PHE 125 HD1 PHE 125 101.805 -5.578 -1.728 887 HD2 PHE 125 HD2 PHE 125 105.506 -5.847 -3.890 888 HE1 PHE 125 HE1 PHE 125 101.218 -3.525 -2.988 889 HE2 PHE 125 HE2 PHE 125 104.920 -3.795 -5.151 890 HZ PHE 125 HZ PHE 125 102.775 -2.633 -4.701 891 H SER 126 H SER 126 104.995 -4.345 -0.020 892 HA SER 126 HA SER 126 102.605 -4.422 1.699 893 HB2 SER 126 1HB SER 126 104.525 -4.934 3.162 894 HB3 SER 126 2HB SER 126 105.309 -3.447 2.642 895 HG SER 126 HG SER 126 103.623 -3.730 4.605 896 H TYR 127 H TYR 127 101.684 -2.394 2.156 897 HA TYR 127 HA TYR 127 102.735 -0.132 0.553 898 HB2 TYR 127 1HB TYR 127 100.484 0.645 0.278 899 HB3 TYR 127 2HB TYR 127 100.552 -1.029 -0.230 900 HD1 TYR 127 HD1 TYR 127 99.540 -2.809 1.189 901 HD2 TYR 127 HD2 TYR 127 99.154 1.362 2.142 902 HE1 TYR 127 HE1 TYR 127 97.671 -3.334 2.733 903 HE2 TYR 127 HE2 TYR 127 97.286 0.836 3.686 904 HH TYR 127 HH TYR 127 95.870 -2.356 3.836 905 H GLU 128 H GLU 128 102.779 1.904 1.536 906 HA GLU 128 HA GLU 128 102.344 1.920 4.467 907 HB2 GLU 128 1HB GLU 128 104.759 1.640 3.812 908 HB3 GLU 128 2HB GLU 128 104.665 3.206 3.016 909 HG2 GLU 128 1HG GLU 128 103.979 4.232 5.175 910 HG3 GLU 128 2HG GLU 128 104.173 2.669 5.956 911 H GLN 129 H GLN 129 101.289 3.677 5.222 912 HA GLN 129 HA GLN 129 100.714 5.857 3.299 913 HB2 GLN 129 1HB GLN 129 98.781 4.346 3.799 914 HB3 GLN 129 2HB GLN 129 98.902 4.827 5.491 915 HG2 GLN 129 1HG GLN 129 97.258 6.267 4.555 916 HG3 GLN 129 2HG GLN 129 98.722 7.246 4.661 917 HE21 GLN 129 1HE2 GLN 129 99.194 8.364 2.771 918 HE22 GLN 129 2HE2 GLN 129 98.724 7.885 1.212 919 H SER 130 H SER 130 101.140 7.849 3.919 920 HA SER 130 HA SER 130 101.595 8.425 6.786 921 HB2 SER 130 1HB SER 130 102.653 10.044 4.458 922 HB3 SER 130 2HB SER 130 103.084 10.189 6.156 923 HG SER 130 HG SER 130 104.528 8.711 5.809 924 H ARG 131 H ARG 131 100.712 10.439 7.556 925 HA ARG 131 HA ARG 131 97.991 10.505 6.501 926 HB2 ARG 131 1HB ARG 131 98.424 9.964 8.895 927 HB3 ARG 131 2HB ARG 131 99.090 11.581 9.111 928 HG2 ARG 131 1HG ARG 131 96.922 12.546 8.357 929 HG3 ARG 131 2HG ARG 131 96.260 10.913 8.255 930 HD2 ARG 131 1HD ARG 131 97.381 12.195 10.763 931 HD3 ARG 131 2HD ARG 131 95.670 12.000 10.398 932 HE ARG 131 HE ARG 131 96.644 9.465 10.193 933 HH11 ARG 131 1HH1 ARG 131 96.852 11.878 12.736 934 HH12 ARG 131 2HH1 ARG 131 96.939 10.690 13.993 935 HH21 ARG 131 1HH2 ARG 131 96.758 7.984 11.854 936 HH22 ARG 131 2HH2 ARG 131 96.886 8.512 13.499 937 H ILE 132 H ILE 132 96.805 12.653 6.417 938 HA ILE 132 HA ILE 132 98.567 13.735 4.375 939 HB ILE 132 HB ILE 132 95.570 14.002 4.708 940 HG12 ILE 132 1HG1 ILE 132 97.142 12.158 2.889 941 HG13 ILE 132 2HG1 ILE 132 96.432 11.649 4.420 942 HG21 ILE 132 1HG2 ILE 132 97.363 14.495 2.309 943 HG22 ILE 132 2HG2 ILE 132 96.571 15.747 3.265 944 HG23 ILE 132 3HG2 ILE 132 95.603 14.614 2.322 945 HD11 ILE 132 3HD1 ILE 132 94.939 12.762 2.027 946 HD12 ILE 132 1HD1 ILE 132 94.199 12.392 3.584 947 HD13 ILE 132 2HD1 ILE 132 94.895 11.097 2.608 948 H ARG 133 H ARG 133 99.756 15.168 5.581 949 HA ARG 133 HA ARG 133 98.578 17.811 5.960 950 HB2 ARG 133 1HB ARG 133 100.811 16.663 7.004 951 HB3 ARG 133 2HB ARG 133 101.515 17.443 5.593 952 HG2 ARG 133 1HG ARG 133 101.670 19.068 7.313 953 HG3 ARG 133 2HG ARG 133 100.267 19.570 6.377 954 HD2 ARG 133 1HD ARG 133 98.794 18.364 7.973 955 HD3 ARG 133 2HD ARG 133 100.213 17.957 8.936 956 HE ARG 133 HE ARG 133 100.397 20.640 8.788 957 HH11 ARG 133 1HH1 ARG 133 97.672 18.583 9.610 958 HH12 ARG 133 2HH1 ARG 133 96.955 19.775 10.640 959 HH21 ARG 133 1HH2 ARG 133 99.424 22.136 10.126 960 HH22 ARG 133 2HH2 ARG 133 97.934 21.761 10.927 961 H SER 134 H SER 134 100.159 19.490 4.462 962 HA SER 134 HA SER 134 98.971 19.381 1.959 963 HB2 SER 134 1HB SER 134 100.031 21.397 2.926 964 HB3 SER 134 2HB SER 134 101.614 20.682 2.642 965 HG SER 134 HG SER 134 100.498 22.164 0.985 966 H VAL 135 H VAL 135 101.771 17.574 3.024 967 HA VAL 135 HA VAL 135 101.997 16.503 0.268 968 HB VAL 135 HB VAL 135 104.015 16.306 2.520 969 HG11 VAL 135 1HG1 VAL 135 105.489 15.393 0.789 970 HG12 VAL 135 2HG1 VAL 135 104.217 15.578 -0.418 971 HG13 VAL 135 3HG1 VAL 135 104.023 14.418 0.896 972 HG21 VAL 135 3HG2 VAL 135 103.847 18.605 1.663 973 HG22 VAL 135 1HG2 VAL 135 103.997 18.012 0.010 974 HG23 VAL 135 2HG2 VAL 135 105.354 17.864 1.126 975 H ASP 136 H ASP 136 101.310 14.468 -0.048 976 HA ASP 136 HA ASP 136 100.701 12.793 2.320 977 HB2 ASP 136 1HB ASP 136 98.710 13.522 1.033 978 HB3 ASP 136 2HB ASP 136 99.385 12.769 -0.408 979 H VAL 137 H VAL 137 101.401 10.621 2.320 980 HA VAL 137 HA VAL 137 103.362 10.029 0.153 981 HB VAL 137 HB VAL 137 103.354 8.818 2.914 982 HG11 VAL 137 1HG1 VAL 137 105.503 8.996 0.792 983 HG12 VAL 137 2HG1 VAL 137 104.479 7.586 1.057 984 HG13 VAL 137 3HG1 VAL 137 105.596 8.115 2.315 985 HG21 VAL 137 3HG2 VAL 137 105.120 10.378 3.507 986 HG22 VAL 137 1HG2 VAL 137 103.731 11.319 2.961 987 HG23 VAL 137 2HG2 VAL 137 105.108 11.072 1.885 988 H GLY 138 H GLY 138 102.927 8.413 -1.183 989 HA2 GLY 138 1HA GLY 138 101.460 6.065 -0.116 990 HA3 GLY 138 2HA GLY 138 101.257 6.628 -1.778 991 H THR 139 H THR 139 102.956 4.426 0.125 992 HA THR 139 HA THR 139 105.198 4.339 -1.817 993 HB THR 139 HB THR 139 105.410 3.763 1.141 994 HG1 THR 139 HG1 THR 139 105.657 5.819 1.335 995 HG21 THR 139 3HG2 THR 139 107.024 2.529 -0.183 996 HG22 THR 139 1HG2 THR 139 107.855 3.871 0.605 997 HG23 THR 139 2HG2 THR 139 107.431 3.976 -1.104 998 H TRP 140 H TRP 140 105.632 2.414 -2.688 999 HA TRP 140 HA TRP 140 104.343 0.012 -1.501 1000 HB2 TRP 140 1HB TRP 140 104.963 0.667 -4.386 1001 HB3 TRP 140 2HB TRP 140 104.484 -0.925 -3.829 1002 HD1 TRP 140 HD1 TRP 140 101.981 -1.080 -2.700 1003 HE1 TRP 140 HE1 TRP 140 99.841 0.215 -3.318 1004 HE3 TRP 140 HE3 TRP 140 104.027 2.838 -5.260 1005 HZ2 TRP 140 HZ2 TRP 140 99.092 2.602 -4.713 1006 HZ3 TRP 140 HZ3 TRP 140 102.581 4.603 -6.220 1007 HH2 TRP 140 HH2 TRP 140 100.120 4.493 -5.950 1008 H ILE 141 H ILE 141 105.680 -1.730 -1.064 1009 HA ILE 141 HA ILE 141 108.526 -1.435 -1.836 1010 HB ILE 141 HB ILE 141 109.214 -2.080 0.396 1011 HG12 ILE 141 1HG1 ILE 141 106.280 -2.006 1.162 1012 HG13 ILE 141 2HG1 ILE 141 107.201 -3.490 0.915 1013 HG21 ILE 141 1HG2 ILE 141 107.241 0.072 1.032 1014 HG22 ILE 141 2HG2 ILE 141 108.362 0.377 -0.289 1015 HG23 ILE 141 3HG2 ILE 141 108.978 0.007 1.318 1016 HD11 ILE 141 3HD1 ILE 141 107.620 -1.374 3.032 1017 HD12 ILE 141 1HD1 ILE 141 108.854 -2.573 2.647 1018 HD13 ILE 141 2HD1 ILE 141 107.285 -3.091 3.261 1019 H ALA 142 H ALA 142 109.666 -3.290 -2.193 1020 HA ALA 142 HA ALA 142 108.306 -5.868 -1.766 1021 HB1 ALA 142 1HB ALA 142 109.049 -6.634 -3.999 1022 HB2 ALA 142 2HB ALA 142 109.645 -5.011 -4.348 1023 HB3 ALA 142 3HB ALA 142 107.919 -5.286 -4.120 1024 H GLY 143 H GLY 143 109.641 -7.312 -0.829 1025 HA2 GLY 143 1HA GLY 143 112.558 -6.927 -1.086 1026 HA3 GLY 143 2HA GLY 143 111.836 -6.969 0.520 1027 H VAL 144 H VAL 144 113.808 -8.773 -0.568 1028 HA VAL 144 HA VAL 144 112.296 -11.314 -0.421 1029 HB VAL 144 HB VAL 144 113.995 -12.312 -1.919 1030 HG11 VAL 144 1HG1 VAL 144 113.231 -11.166 -3.999 1031 HG12 VAL 144 2HG1 VAL 144 112.568 -9.867 -3.010 1032 HG13 VAL 144 3HG1 VAL 144 111.903 -11.495 -2.887 1033 HG21 VAL 144 3HG2 VAL 144 115.862 -10.801 -1.480 1034 HG22 VAL 144 1HG2 VAL 144 114.951 -9.439 -2.133 1035 HG23 VAL 144 2HG2 VAL 144 115.471 -10.745 -3.199 1036 H GLY 145 H GLY 145 113.249 -12.946 0.802 1037 HA2 GLY 145 1HA GLY 145 115.830 -12.477 2.062 1038 HA3 GLY 145 2HA GLY 145 114.444 -12.410 3.141 1039 H TYR 146 H TYR 146 116.156 -14.174 3.839 1040 HA TYR 146 HA TYR 146 114.931 -16.764 3.153 1041 HB2 TYR 146 1HB TYR 146 117.079 -17.853 3.256 1042 HB3 TYR 146 2HB TYR 146 117.150 -16.574 2.065 1043 HD1 TYR 146 HD1 TYR 146 118.319 -17.737 5.345 1044 HD2 TYR 146 HD2 TYR 146 118.516 -14.573 2.446 1045 HE1 TYR 146 HE1 TYR 146 120.312 -16.807 6.493 1046 HE2 TYR 146 HE2 TYR 146 120.507 -13.645 3.594 1047 HH TYR 146 HH TYR 146 122.393 -15.221 5.566 1048 H ARG 147 H ARG 147 115.366 -18.401 4.906 1049 HA ARG 147 HA ARG 147 115.365 -17.090 7.567 1050 HB2 ARG 147 1HB ARG 147 113.161 -18.032 6.855 1051 HB3 ARG 147 2HB ARG 147 113.916 -19.623 6.758 1052 HG2 ARG 147 1HG ARG 147 114.507 -19.518 9.133 1053 HG3 ARG 147 2HG ARG 147 113.829 -17.894 9.249 1054 HD2 ARG 147 1HD ARG 147 112.163 -19.427 10.076 1055 HD3 ARG 147 2HD ARG 147 111.619 -18.851 8.504 1056 HE ARG 147 HE ARG 147 113.131 -21.235 8.200 1057 HH11 ARG 147 1HH1 ARG 147 109.980 -20.157 9.308 1058 HH12 ARG 147 2HH1 ARG 147 109.222 -21.670 8.942 1059 HH21 ARG 147 1HH2 ARG 147 112.100 -23.162 7.749 1060 HH22 ARG 147 2HH2 ARG 147 110.409 -23.349 8.070 1061 H PHE 148 H PHE 148 116.415 -18.165 9.275 1062 HA PHE 148 HA PHE 148 118.788 -19.528 8.608 1063 HB2 PHE 148 1HB PHE 148 118.426 -18.250 10.703 1064 HB3 PHE 148 2HB PHE 148 117.332 -19.505 11.254 1065 HD1 PHE 148 HD1 PHE 148 118.176 -21.686 11.971 1066 HD2 PHE 148 HD2 PHE 148 120.836 -18.600 10.610 1067 HE1 PHE 148 HE1 PHE 148 120.103 -22.931 12.915 1068 HE2 PHE 148 HE2 PHE 148 122.762 -19.845 11.554 1069 HZ PHE 148 HZ PHE 148 122.396 -22.010 12.706 Start of MODEL 16 1 H1 ALA 1 3H ALA 1 119.958 -17.592 14.508 2 H2 ALA 1 2H ALA 1 119.752 -18.010 12.875 3 H3 ALA 1 HT3 ALA 1 120.724 -18.972 13.885 4 HA ALA 1 HA ALA 1 118.404 -19.825 13.359 5 HB1 ALA 1 2HB ALA 1 118.201 -20.770 15.588 6 HB2 ALA 1 3HB ALA 1 119.186 -19.474 16.267 7 HB3 ALA 1 1HB ALA 1 119.915 -20.659 15.183 8 H THR 2 H THR 2 116.221 -19.543 13.687 9 HA THR 2 HA THR 2 114.283 -18.344 13.879 10 HB THR 2 HB THR 2 113.868 -17.443 16.153 11 HG1 THR 2 HG1 THR 2 116.099 -16.734 16.403 12 HG21 THR 2 3HG2 THR 2 113.506 -19.798 15.803 13 HG22 THR 2 1HG2 THR 2 114.335 -19.616 17.348 14 HG23 THR 2 2HG2 THR 2 115.233 -20.135 15.922 15 H SER 3 H SER 3 116.150 -16.979 12.345 16 HA SER 3 HA SER 3 115.265 -14.230 12.821 17 HB2 SER 3 1HB SER 3 117.480 -13.286 12.608 18 HB3 SER 3 2HB SER 3 117.503 -14.462 13.918 19 HG SER 3 HG SER 3 118.427 -15.948 12.496 20 H THR 4 H THR 4 115.251 -12.947 10.933 21 HA THR 4 HA THR 4 115.897 -14.352 8.409 22 HB THR 4 HB THR 4 113.869 -13.544 7.386 23 HG1 THR 4 HG1 THR 4 112.568 -12.141 8.353 24 HG21 THR 4 3HG2 THR 4 112.450 -15.092 8.294 25 HG22 THR 4 1HG2 THR 4 112.697 -14.509 9.939 26 HG23 THR 4 2HG2 THR 4 113.894 -15.565 9.189 27 H VAL 5 H VAL 5 116.360 -12.983 6.636 28 HA VAL 5 HA VAL 5 116.836 -10.135 7.284 29 HB VAL 5 HB VAL 5 118.744 -11.907 5.734 30 HG11 VAL 5 1HG1 VAL 5 120.218 -9.910 5.865 31 HG12 VAL 5 2HG1 VAL 5 118.908 -9.013 6.631 32 HG13 VAL 5 3HG1 VAL 5 118.736 -9.577 4.969 33 HG21 VAL 5 3HG2 VAL 5 118.801 -12.425 8.136 34 HG22 VAL 5 1HG2 VAL 5 118.953 -10.710 8.515 35 HG23 VAL 5 2HG2 VAL 5 120.257 -11.544 7.672 36 H THR 6 H THR 6 115.721 -8.895 5.917 37 HA THR 6 HA THR 6 115.330 -9.843 3.136 38 HB THR 6 HB THR 6 113.282 -8.357 4.792 39 HG1 THR 6 HG1 THR 6 112.403 -10.254 5.200 40 HG21 THR 6 3HG2 THR 6 113.039 -9.745 2.112 41 HG22 THR 6 1HG2 THR 6 113.268 -8.007 2.304 42 HG23 THR 6 2HG2 THR 6 111.807 -8.776 2.921 43 H GLY 7 H GLY 7 115.555 -8.338 1.547 44 HA2 GLY 7 1HA GLY 7 115.804 -5.496 2.340 45 HA3 GLY 7 2HA GLY 7 116.982 -6.227 1.247 46 H GLY 8 H GLY 8 114.824 -4.062 0.893 47 HA2 GLY 8 1HA GLY 8 113.757 -5.158 -1.612 48 HA3 GLY 8 2HA GLY 8 112.594 -4.615 -0.411 49 H TYR 9 H TYR 9 112.524 -3.496 -2.825 50 HA TYR 9 HA TYR 9 113.678 -0.794 -2.441 51 HB2 TYR 9 1HB TYR 9 113.110 -2.215 -5.050 52 HB3 TYR 9 2HB TYR 9 113.700 -0.571 -4.887 53 HD1 TYR 9 HD1 TYR 9 114.550 -4.138 -4.642 54 HD2 TYR 9 HD2 TYR 9 116.015 -0.122 -4.233 55 HE1 TYR 9 HE1 TYR 9 116.878 -4.991 -4.634 56 HE2 TYR 9 HE2 TYR 9 118.345 -0.974 -4.224 57 HH TYR 9 HH TYR 9 119.379 -3.507 -5.326 58 H ALA 10 H ALA 10 112.261 0.887 -2.634 59 HA ALA 10 HA ALA 10 109.449 0.230 -3.278 60 HB1 ALA 10 1HB ALA 10 110.088 2.240 -1.163 61 HB2 ALA 10 2HB ALA 10 110.171 0.526 -0.756 62 HB3 ALA 10 3HB ALA 10 108.663 1.218 -1.349 63 H GLN 11 H GLN 11 108.221 1.857 -4.201 64 HA GLN 11 HA GLN 11 109.666 4.333 -4.969 65 HB2 GLN 11 1HB GLN 11 107.709 2.714 -6.622 66 HB3 GLN 11 2HB GLN 11 108.346 4.296 -7.076 67 HG2 GLN 11 1HG GLN 11 110.626 3.417 -7.073 68 HG3 GLN 11 2HG GLN 11 110.045 1.847 -6.530 69 HE21 GLN 11 1HE2 GLN 11 111.498 2.145 -8.983 70 HE22 GLN 11 2HE2 GLN 11 110.445 1.795 -10.268 71 H SER 12 H SER 12 108.538 6.230 -4.712 72 HA SER 12 HA SER 12 105.836 5.992 -3.511 73 HB2 SER 12 1HB SER 12 107.638 6.784 -1.957 74 HB3 SER 12 2HB SER 12 107.893 8.159 -3.026 75 HG SER 12 HG SER 12 106.127 7.927 -1.101 76 H ASP 13 H ASP 13 104.250 7.366 -4.207 77 HA ASP 13 HA ASP 13 104.575 8.246 -6.934 78 HB2 ASP 13 1HB ASP 13 102.534 7.088 -6.117 79 HB3 ASP 13 2HB ASP 13 102.173 8.491 -5.113 80 H ALA 14 H ALA 14 105.017 10.195 -7.626 81 HA ALA 14 HA ALA 14 105.021 12.435 -5.719 82 HB1 ALA 14 1HB ALA 14 106.600 11.752 -8.155 83 HB2 ALA 14 2HB ALA 14 107.137 12.419 -6.615 84 HB3 ALA 14 3HB ALA 14 106.343 13.460 -7.793 85 H GLN 15 H GLN 15 103.950 14.317 -6.111 86 HA GLN 15 HA GLN 15 101.846 14.226 -8.129 87 HB2 GLN 15 1HB GLN 15 100.903 16.152 -6.979 88 HB3 GLN 15 2HB GLN 15 101.285 14.890 -5.810 89 HG2 GLN 15 1HG GLN 15 103.488 16.074 -5.411 90 HG3 GLN 15 2HG GLN 15 102.860 17.413 -6.373 91 HE21 GLN 15 1HE2 GLN 15 102.468 18.984 -4.757 92 HE22 GLN 15 2HE2 GLN 15 101.453 18.725 -3.420 93 H GLY 16 H GLY 16 101.456 16.099 -9.527 94 HA2 GLY 16 1HA GLY 16 103.559 16.277 -11.291 95 HA3 GLY 16 2HA GLY 16 102.186 17.375 -11.293 96 H GLN 17 H GLN 17 104.873 17.937 -12.003 97 HA GLN 17 HA GLN 17 106.472 19.528 -11.825 98 HB2 GLN 17 1HB GLN 17 104.714 20.697 -9.659 99 HB3 GLN 17 2HB GLN 17 106.113 21.481 -10.380 100 HG2 GLN 17 1HG GLN 17 105.076 21.417 -12.585 101 HG3 GLN 17 2HG GLN 17 103.696 20.532 -11.938 102 HE21 GLN 17 1HE2 GLN 17 103.377 23.062 -13.243 103 HE22 GLN 17 2HE2 GLN 17 102.860 24.194 -12.089 104 H MET 18 H MET 18 106.374 17.055 -9.999 105 HA MET 18 HA MET 18 108.904 17.758 -8.743 106 HB2 MET 18 1HB MET 18 106.599 16.598 -7.166 107 HB3 MET 18 2HB MET 18 108.273 16.590 -6.613 108 HG2 MET 18 1HG MET 18 108.290 19.100 -6.937 109 HG3 MET 18 2HG MET 18 106.551 19.008 -7.210 110 HE1 MET 18 3HE MET 18 104.896 17.959 -4.225 111 HE2 MET 18 1HE MET 18 105.831 16.527 -4.673 112 HE3 MET 18 2HE MET 18 105.157 17.570 -5.923 113 H ASN 19 H ASN 19 110.001 15.720 -7.900 114 HA ASN 19 HA ASN 19 109.593 13.638 -9.939 115 HB2 ASN 19 1HB ASN 19 111.817 14.843 -9.689 116 HB3 ASN 19 2HB ASN 19 112.000 13.993 -8.157 117 HD21 ASN 19 1HD2 ASN 19 113.873 12.819 -9.100 118 HD22 ASN 19 2HD2 ASN 19 113.611 11.535 -10.177 119 H LYS 20 H LYS 20 109.533 11.454 -9.423 120 HA LYS 20 HA LYS 20 108.275 10.700 -7.003 121 HB2 LYS 20 1HB LYS 20 109.735 9.024 -9.062 122 HB3 LYS 20 2HB LYS 20 108.719 8.376 -7.772 123 HG2 LYS 20 1HG LYS 20 106.808 9.716 -8.651 124 HG3 LYS 20 2HG LYS 20 107.829 10.240 -9.992 125 HD2 LYS 20 1HD LYS 20 108.171 7.843 -10.612 126 HD3 LYS 20 2HD LYS 20 107.029 7.388 -9.346 127 HE2 LYS 20 1HE LYS 20 106.260 9.391 -11.463 128 HE3 LYS 20 2HE LYS 20 106.124 7.659 -11.767 129 HZ1 LYS 20 3HZ LYS 20 104.657 7.413 -9.941 130 HZ2 LYS 20 1HZ LYS 20 104.086 8.728 -10.847 131 HZ3 LYS 20 2HZ LYS 20 104.939 8.999 -9.403 132 H MET 21 H MET 21 109.235 8.882 -5.582 133 HA MET 21 HA MET 21 112.053 9.584 -4.918 134 HB2 MET 21 1HB MET 21 109.797 9.039 -2.968 135 HB3 MET 21 2HB MET 21 111.466 9.410 -2.546 136 HG2 MET 21 1HG MET 21 109.553 11.244 -4.023 137 HG3 MET 21 2HG MET 21 110.061 11.416 -2.347 138 HE1 MET 21 3HE MET 21 113.524 12.453 -2.249 139 HE2 MET 21 1HE MET 21 113.499 10.753 -2.728 140 HE3 MET 21 2HE MET 21 112.288 11.373 -1.609 141 H GLY 22 H GLY 22 113.277 7.898 -3.858 142 HA2 GLY 22 1HA GLY 22 112.131 5.185 -4.245 143 HA3 GLY 22 2HA GLY 22 113.800 5.584 -4.651 144 H GLY 23 H GLY 23 112.711 3.646 -2.673 145 HA2 GLY 23 1HA GLY 23 114.181 4.660 -0.318 146 HA3 GLY 23 2HA GLY 23 112.582 3.952 -0.121 147 H PHE 24 H PHE 24 115.369 3.197 0.767 148 HA PHE 24 HA PHE 24 115.340 0.391 -0.197 149 HB2 PHE 24 1HB PHE 24 117.456 1.669 -0.558 150 HB3 PHE 24 2HB PHE 24 117.571 1.901 1.175 151 HD1 PHE 24 HD1 PHE 24 118.163 0.048 2.658 152 HD2 PHE 24 HD2 PHE 24 117.875 -0.494 -1.591 153 HE1 PHE 24 HE1 PHE 24 119.357 -2.117 2.855 154 HE2 PHE 24 HE2 PHE 24 119.069 -2.659 -1.398 155 HZ PHE 24 HZ PHE 24 119.811 -3.471 0.825 156 H ASN 25 H ASN 25 114.860 -1.195 1.292 157 HA ASN 25 HA ASN 25 114.613 -0.338 4.123 158 HB2 ASN 25 1HB ASN 25 112.421 -0.371 2.830 159 HB3 ASN 25 2HB ASN 25 112.619 -2.120 2.730 160 HD21 ASN 25 1HD2 ASN 25 110.664 -2.346 4.114 161 HD22 ASN 25 2HD2 ASN 25 110.780 -2.088 5.787 162 H LEU 26 H LEU 26 115.365 -1.707 5.592 163 HA LEU 26 HA LEU 26 115.928 -4.509 4.791 164 HB2 LEU 26 1HB LEU 26 117.428 -2.819 6.811 165 HB3 LEU 26 2HB LEU 26 117.787 -4.492 6.388 166 HG LEU 26 HG LEU 26 117.835 -2.179 4.427 167 HD11 LEU 26 1HD1 LEU 26 120.326 -2.580 4.512 168 HD12 LEU 26 2HD1 LEU 26 120.052 -3.624 5.907 169 HD13 LEU 26 3HD1 LEU 26 119.655 -1.907 5.997 170 HD21 LEU 26 3HD2 LEU 26 119.223 -4.034 3.184 171 HD22 LEU 26 1HD2 LEU 26 117.461 -4.108 3.149 172 HD23 LEU 26 2HD2 LEU 26 118.364 -5.136 4.259 173 H LYS 27 H LYS 27 115.248 -6.121 6.231 174 HA LYS 27 HA LYS 27 113.682 -5.185 8.567 175 HB2 LYS 27 1HB LYS 27 112.849 -7.252 6.518 176 HB3 LYS 27 2HB LYS 27 111.972 -6.877 8.000 177 HG2 LYS 27 1HG LYS 27 111.762 -4.514 7.233 178 HG3 LYS 27 2HG LYS 27 112.532 -4.969 5.713 179 HD2 LYS 27 1HD LYS 27 110.724 -6.654 5.349 180 HD3 LYS 27 2HD LYS 27 109.923 -6.061 6.806 181 HE2 LYS 27 1HE LYS 27 109.687 -3.843 5.830 182 HE3 LYS 27 2HE LYS 27 110.606 -4.337 4.407 183 HZ1 LYS 27 3HZ LYS 27 108.911 -5.757 3.713 184 HZ2 LYS 27 1HZ LYS 27 108.087 -4.370 4.237 185 HZ3 LYS 27 2HZ LYS 27 108.142 -5.748 5.228 186 H TYR 28 H TYR 28 113.750 -6.446 10.360 187 HA TYR 28 HA TYR 28 115.136 -9.060 10.187 188 HB2 TYR 28 1HB TYR 28 115.241 -7.061 12.454 189 HB3 TYR 28 2HB TYR 28 115.976 -8.653 12.463 190 HD1 TYR 28 HD1 TYR 28 116.176 -5.223 11.158 191 HD2 TYR 28 HD2 TYR 28 118.000 -9.112 11.163 192 HE1 TYR 28 HE1 TYR 28 118.230 -4.261 10.157 193 HE2 TYR 28 HE2 TYR 28 120.054 -8.150 10.161 194 HH TYR 28 HH TYR 28 120.297 -5.575 8.586 195 H ARG 29 H ARG 29 114.018 -10.748 11.042 196 HA ARG 29 HA ARG 29 111.730 -10.181 12.803 197 HB2 ARG 29 1HB ARG 29 110.906 -10.285 10.450 198 HB3 ARG 29 2HB ARG 29 111.524 -11.934 10.350 199 HG2 ARG 29 1HG ARG 29 110.073 -12.635 12.179 200 HG3 ARG 29 2HG ARG 29 109.505 -10.979 12.398 201 HD2 ARG 29 1HD ARG 29 107.837 -12.138 11.109 202 HD3 ARG 29 2HD ARG 29 108.672 -11.036 10.019 203 HE ARG 29 HE ARG 29 108.828 -13.955 10.021 204 HH11 ARG 29 1HH1 ARG 29 110.127 -10.955 8.733 205 HH12 ARG 29 2HH1 ARG 29 110.812 -11.736 7.349 206 HH21 ARG 29 1HH2 ARG 29 109.738 -14.899 8.221 207 HH22 ARG 29 2HH2 ARG 29 110.597 -13.939 7.063 208 H TYR 30 H TYR 30 111.215 -11.823 14.244 209 HA TYR 30 HA TYR 30 113.210 -13.985 14.413 210 HB2 TYR 30 1HB TYR 30 112.730 -12.412 16.364 211 HB3 TYR 30 2HB TYR 30 111.179 -13.215 16.501 212 HD1 TYR 30 HD1 TYR 30 111.037 -15.548 17.293 213 HD2 TYR 30 HD2 TYR 30 114.807 -13.523 16.939 214 HE1 TYR 30 HE1 TYR 30 112.109 -17.307 18.670 215 HE2 TYR 30 HE2 TYR 30 115.882 -15.283 18.316 216 HH TYR 30 HH TYR 30 113.968 -17.887 19.787 217 H GLU 31 H GLU 31 112.567 -16.178 14.512 218 HA GLU 31 HA GLU 31 109.992 -16.629 13.189 219 HB2 GLU 31 1HB GLU 31 112.106 -17.623 12.286 220 HB3 GLU 31 2HB GLU 31 112.206 -18.614 13.742 221 HG2 GLU 31 1HG GLU 31 109.948 -19.532 13.235 222 HG3 GLU 31 2HG GLU 31 109.930 -18.608 11.741 223 H GLU 32 H GLU 32 108.335 -17.737 14.023 224 HA GLU 32 HA GLU 32 108.586 -18.854 16.737 225 HB2 GLU 32 1HB GLU 32 106.414 -16.968 15.809 226 HB3 GLU 32 2HB GLU 32 106.418 -17.840 17.343 227 HG2 GLU 32 1HG GLU 32 107.314 -15.750 17.921 228 HG3 GLU 32 2HG GLU 32 108.740 -16.757 17.712 229 H ASP 33 H ASP 33 107.081 -20.397 17.309 230 HA ASP 33 HA ASP 33 106.052 -22.049 15.203 231 HB2 ASP 33 1HB ASP 33 105.643 -22.152 18.203 232 HB3 ASP 33 2HB ASP 33 105.133 -23.403 17.071 233 H ASN 34 H ASN 34 103.630 -22.874 15.770 234 HA ASN 34 HA ASN 34 101.902 -20.973 14.764 235 HB2 ASN 34 1HB ASN 34 101.237 -23.315 16.553 236 HB3 ASN 34 2HB ASN 34 100.081 -22.434 15.555 237 HD21 ASN 34 1HD2 ASN 34 101.544 -22.086 13.176 238 HD22 ASN 34 2HD2 ASN 34 101.891 -23.605 12.502 239 H SER 35 H SER 35 102.963 -21.247 18.115 240 HA SER 35 HA SER 35 100.474 -19.993 19.041 241 HB2 SER 35 1HB SER 35 101.180 -22.016 20.169 242 HB3 SER 35 2HB SER 35 102.723 -21.275 20.582 243 HG SER 35 HG SER 35 100.176 -20.860 21.621 244 HA PRO 36 HA PRO 36 103.228 -16.533 20.332 245 HB2 PRO 36 1HB PRO 36 105.986 -16.686 19.642 246 HB3 PRO 36 2HB PRO 36 105.256 -16.999 21.225 247 HG2 PRO 36 1HG PRO 36 106.519 -18.877 19.639 248 HG3 PRO 36 2HG PRO 36 105.412 -19.228 20.978 249 HD2 PRO 36 1HD PRO 36 104.831 -19.125 18.041 250 HD3 PRO 36 2HD PRO 36 104.242 -20.297 19.250 251 H LEU 37 H LEU 37 103.549 -14.523 19.404 252 HA LEU 37 HA LEU 37 103.123 -14.367 16.558 253 HB2 LEU 37 1HB LEU 37 103.502 -12.158 18.590 254 HB3 LEU 37 2HB LEU 37 102.889 -11.964 16.950 255 HG LEU 37 HG LEU 37 101.584 -13.679 19.086 256 HD11 LEU 37 1HD1 LEU 37 99.854 -11.894 19.100 257 HD12 LEU 37 2HD1 LEU 37 100.852 -10.938 18.005 258 HD13 LEU 37 3HD1 LEU 37 101.420 -11.291 19.637 259 HD21 LEU 37 3HD2 LEU 37 100.888 -12.947 16.236 260 HD22 LEU 37 1HD2 LEU 37 99.657 -13.479 17.381 261 HD23 LEU 37 2HD2 LEU 37 100.990 -14.554 16.955 262 H GLY 38 H GLY 38 104.353 -12.769 15.215 263 HA2 GLY 38 1HA GLY 38 107.241 -13.173 15.654 264 HA3 GLY 38 2HA GLY 38 106.478 -12.877 14.095 265 H VAL 39 H VAL 39 108.692 -11.449 15.656 266 HA VAL 39 HA VAL 39 107.413 -8.770 15.818 267 HB VAL 39 HB VAL 39 108.357 -9.547 17.961 268 HG11 VAL 39 1HG1 VAL 39 110.685 -10.025 18.237 269 HG12 VAL 39 2HG1 VAL 39 111.057 -9.494 16.596 270 HG13 VAL 39 3HG1 VAL 39 110.148 -10.983 16.858 271 HG21 VAL 39 3HG2 VAL 39 110.012 -7.354 16.678 272 HG22 VAL 39 1HG2 VAL 39 109.732 -7.576 18.405 273 HG23 VAL 39 2HG2 VAL 39 108.393 -7.136 17.343 274 H ILE 40 H ILE 40 107.997 -7.335 14.298 275 HA ILE 40 HA ILE 40 110.484 -7.868 12.772 276 HB ILE 40 HB ILE 40 108.516 -8.600 11.488 277 HG12 ILE 40 1HG1 ILE 40 109.540 -6.001 10.330 278 HG13 ILE 40 2HG1 ILE 40 110.538 -7.453 10.422 279 HG21 ILE 40 1HG2 ILE 40 106.823 -7.151 12.481 280 HG22 ILE 40 2HG2 ILE 40 106.871 -6.895 10.738 281 HG23 ILE 40 3HG2 ILE 40 107.621 -5.724 11.820 282 HD11 ILE 40 3HD1 ILE 40 108.476 -8.610 9.277 283 HD12 ILE 40 1HD1 ILE 40 109.599 -7.666 8.295 284 HD13 ILE 40 2HD1 ILE 40 108.060 -6.965 8.795 285 H GLY 41 H GLY 41 111.740 -6.161 12.372 286 HA2 GLY 41 1HA GLY 41 110.658 -3.445 12.832 287 HA3 GLY 41 2HA GLY 41 112.217 -3.924 13.511 288 H SER 42 H SER 42 111.458 -1.882 11.397 289 HA SER 42 HA SER 42 113.344 -2.817 9.329 290 HB2 SER 42 1HB SER 42 111.902 -2.221 7.536 291 HB3 SER 42 2HB SER 42 110.929 -3.194 8.636 292 HG SER 42 HG SER 42 110.412 -0.786 7.779 293 H PHE 43 H PHE 43 114.485 -1.246 8.275 294 HA PHE 43 HA PHE 43 114.121 1.547 9.205 295 HB2 PHE 43 1HB PHE 43 116.694 0.133 8.479 296 HB3 PHE 43 2HB PHE 43 116.551 1.830 8.898 297 HD1 PHE 43 HD1 PHE 43 116.025 2.507 11.223 298 HD2 PHE 43 HD2 PHE 43 116.649 -1.602 10.145 299 HE1 PHE 43 HE1 PHE 43 116.319 1.923 13.616 300 HE2 PHE 43 HE2 PHE 43 116.943 -2.188 12.538 301 HZ PHE 43 HZ PHE 43 116.777 -0.422 14.274 302 H THR 44 H THR 44 113.906 3.050 7.611 303 HA THR 44 HA THR 44 114.453 2.195 4.822 304 HB THR 44 HB THR 44 112.078 3.832 5.736 305 HG1 THR 44 HG1 THR 44 112.453 1.096 5.197 306 HG21 THR 44 3HG2 THR 44 112.678 2.514 3.076 307 HG22 THR 44 1HG2 THR 44 112.959 4.221 3.414 308 HG23 THR 44 2HG2 THR 44 111.319 3.573 3.452 309 H TYR 45 H TYR 45 115.477 3.617 3.569 310 HA TYR 45 HA TYR 45 115.840 6.392 4.562 311 HB2 TYR 45 1HB TYR 45 117.742 4.792 2.843 312 HB3 TYR 45 2HB TYR 45 118.011 6.400 3.484 313 HD1 TYR 45 HD1 TYR 45 117.864 2.805 4.261 314 HD2 TYR 45 HD2 TYR 45 118.638 6.734 5.817 315 HE1 TYR 45 HE1 TYR 45 118.923 1.801 6.266 316 HE2 TYR 45 HE2 TYR 45 119.693 5.729 7.825 317 HH TYR 45 HH TYR 45 120.194 2.233 8.082 318 H THR 46 H THR 46 115.368 8.034 3.122 319 HA THR 46 HA THR 46 114.256 7.207 0.528 320 HB THR 46 HB THR 46 114.060 9.883 1.928 321 HG1 THR 46 HG1 THR 46 113.030 8.256 3.101 322 HG21 THR 46 3HG2 THR 46 112.164 10.201 0.345 323 HG22 THR 46 1HG2 THR 46 112.582 8.670 -0.424 324 HG23 THR 46 2HG2 THR 46 113.710 10.025 -0.486 325 H GLU 47 H GLU 47 115.051 7.937 -1.417 326 HA GLU 47 HA GLU 47 117.362 9.743 -1.391 327 HB2 GLU 47 1HB GLU 47 118.198 7.393 -1.113 328 HB3 GLU 47 2HB GLU 47 117.465 7.000 -2.668 329 HG2 GLU 47 1HG GLU 47 118.842 8.777 -3.734 330 HG3 GLU 47 2HG GLU 47 119.608 9.088 -2.183 331 H LYS 48 H LYS 48 117.703 10.812 -3.340 332 HA LYS 48 HA LYS 48 115.761 10.269 -5.507 333 HB2 LYS 48 1HB LYS 48 117.278 12.787 -4.789 334 HB3 LYS 48 2HB LYS 48 116.331 12.594 -6.266 335 HG2 LYS 48 1HG LYS 48 114.311 12.171 -4.966 336 HG3 LYS 48 2HG LYS 48 115.233 12.244 -3.463 337 HD2 LYS 48 1HD LYS 48 114.141 14.382 -3.786 338 HD3 LYS 48 2HD LYS 48 115.873 14.603 -4.042 339 HE2 LYS 48 1HE LYS 48 115.625 14.696 -6.396 340 HE3 LYS 48 2HE LYS 48 114.004 14.008 -6.337 341 HZ1 LYS 48 3HZ LYS 48 114.778 16.658 -5.240 342 HZ2 LYS 48 1HZ LYS 48 113.214 16.000 -5.253 343 HZ3 LYS 48 2HZ LYS 48 113.976 16.407 -6.717 344 H SER 49 H SER 49 116.506 9.978 -7.601 345 HA SER 49 HA SER 49 119.190 8.887 -7.712 346 HB2 SER 49 1HB SER 49 116.931 8.931 -9.713 347 HB3 SER 49 2HB SER 49 118.486 8.155 -9.995 348 HG SER 49 HG SER 49 117.652 6.534 -8.951 349 H ARG 50 H ARG 50 118.253 12.009 -8.066 350 HA ARG 50 HA ARG 50 118.986 13.823 -9.281 351 HB2 ARG 50 1HB ARG 50 121.478 12.110 -9.270 352 HB3 ARG 50 2HB ARG 50 121.438 13.827 -9.670 353 HG2 ARG 50 1HG ARG 50 120.455 14.293 -7.427 354 HG3 ARG 50 2HG ARG 50 120.621 12.583 -7.028 355 HD2 ARG 50 1HD ARG 50 123.084 12.791 -7.524 356 HD3 ARG 50 2HD ARG 50 122.847 14.530 -7.674 357 HE ARG 50 HE ARG 50 121.820 13.493 -5.199 358 HH11 ARG 50 1HH1 ARG 50 124.766 14.573 -6.775 359 HH12 ARG 50 2HH1 ARG 50 125.537 14.978 -5.277 360 HH21 ARG 50 1HH2 ARG 50 122.866 14.033 -3.302 361 HH22 ARG 50 2HH2 ARG 50 124.473 14.674 -3.339 362 H THR 51 H THR 51 117.752 13.768 -11.162 363 HA THR 51 HA THR 51 119.068 12.563 -13.532 364 HB THR 51 HB THR 51 116.858 12.266 -14.514 365 HG1 THR 51 HG1 THR 51 115.875 14.038 -13.444 366 HG21 THR 51 3HG2 THR 51 116.810 11.178 -11.690 367 HG22 THR 51 1HG2 THR 51 117.836 10.518 -12.963 368 HG23 THR 51 2HG2 THR 51 116.081 10.463 -13.128 369 H ALA 52 H ALA 52 118.603 13.715 -15.580 370 HA ALA 52 HA ALA 52 119.267 16.443 -15.377 371 HB1 ALA 52 1HB ALA 52 119.882 15.465 -17.404 372 HB2 ALA 52 2HB ALA 52 118.475 16.425 -17.864 373 HB3 ALA 52 3HB ALA 52 118.313 14.685 -17.616 374 H SER 53 H SER 53 117.839 17.573 -14.114 375 HA SER 53 HA SER 53 115.572 18.729 -15.315 376 HB2 SER 53 1HB SER 53 114.579 16.476 -14.894 377 HB3 SER 53 2HB SER 53 114.912 16.685 -13.179 378 HG SER 53 HG SER 53 112.842 17.381 -13.523 379 H SER 54 H SER 54 114.125 19.702 -13.339 380 HA SER 54 HA SER 54 115.770 21.450 -11.884 381 HB2 SER 54 1HB SER 54 113.768 22.070 -10.672 382 HB3 SER 54 2HB SER 54 113.349 21.807 -12.360 383 HG SER 54 HG SER 54 112.088 20.756 -10.492 384 H GLY 55 H GLY 55 114.509 18.259 -11.060 385 HA2 GLY 55 1HA GLY 55 115.471 18.392 -8.325 386 HA3 GLY 55 2HA GLY 55 114.703 17.015 -9.099 387 H ASP 56 H ASP 56 117.407 18.537 -10.707 388 HA ASP 56 HA ASP 56 118.824 16.176 -11.055 389 HB2 ASP 56 1HB ASP 56 120.704 17.570 -11.729 390 HB3 ASP 56 2HB ASP 56 119.202 18.224 -12.371 391 H TYR 57 H TYR 57 119.020 18.501 -8.401 392 HA TYR 57 HA TYR 57 121.017 16.762 -7.081 393 HB2 TYR 57 1HB TYR 57 120.150 19.592 -6.470 394 HB3 TYR 57 2HB TYR 57 121.301 18.673 -5.521 395 HD1 TYR 57 HD1 TYR 57 123.418 17.813 -6.748 396 HD2 TYR 57 HD2 TYR 57 120.848 20.892 -8.282 397 HE1 TYR 57 HE1 TYR 57 125.246 18.600 -8.228 398 HE2 TYR 57 HE2 TYR 57 122.675 21.680 -9.763 399 HH TYR 57 HH TYR 57 124.697 21.049 -10.681 400 H ASN 58 H ASN 58 120.467 15.608 -5.325 401 HA ASN 58 HA ASN 58 117.821 15.119 -4.625 402 HB2 ASN 58 1HB ASN 58 118.706 13.950 -2.678 403 HB3 ASN 58 2HB ASN 58 119.696 13.609 -4.093 404 HD21 ASN 58 1HD2 ASN 58 120.698 13.346 -1.400 405 HD22 ASN 58 2HD2 ASN 58 121.914 14.510 -1.183 406 H LYS 59 H LYS 59 116.958 15.384 -2.326 407 HA LYS 59 HA LYS 59 117.482 18.091 -1.293 408 HB2 LYS 59 1HB LYS 59 115.131 18.635 -1.294 409 HB3 LYS 59 2HB LYS 59 115.581 18.132 -2.921 410 HG2 LYS 59 1HG LYS 59 114.730 15.837 -2.395 411 HG3 LYS 59 2HG LYS 59 114.168 16.444 -0.835 412 HD2 LYS 59 1HD LYS 59 112.869 18.212 -2.139 413 HD3 LYS 59 2HD LYS 59 113.233 17.275 -3.589 414 HE2 LYS 59 1HE LYS 59 111.169 16.383 -2.952 415 HE3 LYS 59 2HE LYS 59 112.298 15.259 -2.196 416 HZ1 LYS 59 3HZ LYS 59 111.448 17.637 -0.703 417 HZ2 LYS 59 1HZ LYS 59 111.907 16.108 -0.126 418 HZ3 LYS 59 2HZ LYS 59 110.374 16.326 -0.828 419 H ASN 60 H ASN 60 115.218 17.903 0.569 420 HA ASN 60 HA ASN 60 116.427 16.905 2.828 421 HB2 ASN 60 1HB ASN 60 114.251 18.291 2.515 422 HB3 ASN 60 2HB ASN 60 113.448 16.724 2.481 423 HD21 ASN 60 1HD2 ASN 60 113.072 15.705 4.485 424 HD22 ASN 60 2HD2 ASN 60 113.681 16.276 5.964 425 H GLN 61 H GLN 61 116.453 14.973 3.946 426 HA GLN 61 HA GLN 61 115.610 12.596 2.382 427 HB2 GLN 61 1HB GLN 61 117.925 12.937 4.306 428 HB3 GLN 61 2HB GLN 61 117.455 11.412 3.554 429 HG2 GLN 61 1HG GLN 61 117.844 12.349 1.330 430 HG3 GLN 61 2HG GLN 61 118.231 13.917 2.033 431 HE21 GLN 61 1HE2 GLN 61 120.108 12.501 0.395 432 HE22 GLN 61 2HE2 GLN 61 121.418 12.036 1.370 433 H TYR 62 H TYR 62 114.825 10.772 3.586 434 HA TYR 62 HA TYR 62 113.697 11.530 6.226 435 HB2 TYR 62 1HB TYR 62 112.431 9.838 4.072 436 HB3 TYR 62 2HB TYR 62 111.743 10.168 5.652 437 HD1 TYR 62 HD1 TYR 62 111.094 12.541 6.239 438 HD2 TYR 62 HD2 TYR 62 112.215 11.357 2.265 439 HE1 TYR 62 HE1 TYR 62 110.036 14.591 5.330 440 HE2 TYR 62 HE2 TYR 62 111.157 13.408 1.357 441 HH TYR 62 HH TYR 62 109.296 15.584 3.421 442 H TYR 63 H TYR 63 113.915 10.143 7.852 443 HA TYR 63 HA TYR 63 114.920 7.413 7.284 444 HB2 TYR 63 1HB TYR 63 116.652 8.830 8.323 445 HB3 TYR 63 2HB TYR 63 115.555 9.208 9.636 446 HD1 TYR 63 HD1 TYR 63 117.559 6.533 8.043 447 HD2 TYR 63 HD2 TYR 63 115.212 7.674 11.455 448 HE1 TYR 63 HE1 TYR 63 118.374 4.537 9.271 449 HE2 TYR 63 HE2 TYR 63 116.027 5.679 12.682 450 HH TYR 63 HH TYR 63 117.297 3.867 12.606 451 H GLY 64 H GLY 64 113.557 5.851 7.987 452 HA2 GLY 64 1HA GLY 64 111.550 6.587 10.053 453 HA3 GLY 64 2HA GLY 64 111.111 5.715 8.590 454 H ILE 65 H ILE 65 111.153 5.126 11.606 455 HA ILE 65 HA ILE 65 112.307 2.408 11.321 456 HB ILE 65 HB ILE 65 113.643 3.744 12.901 457 HG12 ILE 65 1HG1 ILE 65 111.914 1.819 14.471 458 HG13 ILE 65 2HG1 ILE 65 113.112 1.276 13.295 459 HG21 ILE 65 1HG2 ILE 65 112.704 4.751 14.852 460 HG22 ILE 65 2HG2 ILE 65 111.143 3.977 14.585 461 HG23 ILE 65 3HG2 ILE 65 111.687 5.262 13.505 462 HD11 ILE 65 3HD1 ILE 65 114.230 1.263 15.404 463 HD12 ILE 65 1HD1 ILE 65 113.589 2.850 15.833 464 HD13 ILE 65 2HD1 ILE 65 114.807 2.703 14.566 465 H THR 66 H THR 66 110.810 0.862 11.444 466 HA THR 66 HA THR 66 108.239 1.472 12.800 467 HB THR 66 HB THR 66 107.065 0.210 11.133 468 HG1 THR 66 HG1 THR 66 108.078 -0.982 9.640 469 HG21 THR 66 3HG2 THR 66 107.024 2.065 9.870 470 HG22 THR 66 1HG2 THR 66 108.424 1.448 9.002 471 HG23 THR 66 2HG2 THR 66 108.648 2.525 10.377 472 H ALA 67 H ALA 67 107.189 -0.261 13.826 473 HA ALA 67 HA ALA 67 108.518 -2.869 13.883 474 HB1 ALA 67 1HB ALA 67 109.520 -2.114 15.840 475 HB2 ALA 67 2HB ALA 67 108.014 -2.780 16.475 476 HB3 ALA 67 3HB ALA 67 108.176 -1.040 16.234 477 H GLY 68 H GLY 68 107.037 -4.590 14.298 478 HA2 GLY 68 1HA GLY 68 104.348 -4.043 15.167 479 HA3 GLY 68 2HA GLY 68 104.447 -4.262 13.429 480 HA PRO 69 HA PRO 69 104.419 -8.509 15.270 481 HB2 PRO 69 1HB PRO 69 101.828 -9.077 15.750 482 HB3 PRO 69 2HB PRO 69 102.818 -8.182 16.919 483 HG2 PRO 69 1HG PRO 69 100.655 -7.231 15.188 484 HG3 PRO 69 2HG PRO 69 101.288 -6.545 16.690 485 HD2 PRO 69 1HD PRO 69 101.898 -5.751 13.979 486 HD3 PRO 69 2HD PRO 69 102.481 -5.026 15.494 487 H ALA 70 H ALA 70 104.698 -9.924 13.672 488 HA ALA 70 HA ALA 70 103.029 -10.053 11.310 489 HB1 ALA 70 1HB ALA 70 105.551 -10.624 11.479 490 HB2 ALA 70 2HB ALA 70 104.519 -11.694 10.532 491 HB3 ALA 70 3HB ALA 70 105.006 -12.157 12.162 492 H TYR 71 H TYR 71 101.455 -11.595 10.884 493 HA TYR 71 HA TYR 71 100.762 -13.446 13.087 494 HB2 TYR 71 1HB TYR 71 99.015 -12.320 10.889 495 HB3 TYR 71 2HB TYR 71 98.498 -13.465 12.112 496 HD1 TYR 71 HD2 TYR 71 98.142 -12.757 14.428 497 HD2 TYR 71 HD1 TYR 71 99.408 -9.973 11.413 498 HE1 TYR 71 HE2 TYR 71 97.565 -10.870 15.930 499 HE2 TYR 71 HE1 TYR 71 98.831 -8.085 12.913 500 HH TYR 71 HH TYR 71 97.395 -8.664 16.123 501 H ARG 72 H ARG 72 100.715 -15.611 12.625 502 HA ARG 72 HA ARG 72 102.014 -16.291 10.083 503 HB2 ARG 72 1HB ARG 72 101.671 -17.957 12.585 504 HB3 ARG 72 2HB ARG 72 102.660 -18.366 11.186 505 HG2 ARG 72 1HG ARG 72 103.074 -15.893 12.886 506 HG3 ARG 72 2HG ARG 72 103.973 -17.394 13.093 507 HD2 ARG 72 1HD ARG 72 104.712 -17.215 10.705 508 HD3 ARG 72 2HD ARG 72 103.928 -15.641 10.623 509 HE ARG 72 HE ARG 72 105.528 -15.302 12.738 510 HH11 ARG 72 1HH1 ARG 72 106.248 -16.695 9.597 511 HH12 ARG 72 2HH1 ARG 72 107.909 -16.213 9.654 512 HH21 ARG 72 1HH2 ARG 72 107.677 -14.709 12.755 513 HH22 ARG 72 2HH2 ARG 72 108.709 -15.104 11.420 514 H ILE 73 H ILE 73 100.634 -16.726 8.532 515 HA ILE 73 HA ILE 73 98.323 -18.467 9.016 516 HB ILE 73 HB ILE 73 99.205 -17.114 6.455 517 HG12 ILE 73 1HG1 ILE 73 98.671 -15.428 8.161 518 HG13 ILE 73 2HG1 ILE 73 97.418 -15.472 6.925 519 HG21 ILE 73 1HG2 ILE 73 96.742 -17.512 5.909 520 HG22 ILE 73 2HG2 ILE 73 96.711 -18.591 7.304 521 HG23 ILE 73 3HG2 ILE 73 97.774 -18.942 5.942 522 HD11 ILE 73 3HD1 ILE 73 96.029 -16.901 8.424 523 HD12 ILE 73 1HD1 ILE 73 96.397 -15.336 9.143 524 HD13 ILE 73 2HD1 ILE 73 97.275 -16.770 9.665 525 H ASN 74 H ASN 74 98.319 -20.588 8.446 526 HA ASN 74 HA ASN 74 100.760 -21.901 7.923 527 HB2 ASN 74 1HB ASN 74 97.923 -22.885 7.534 528 HB3 ASN 74 2HB ASN 74 99.360 -23.908 7.544 529 HD21 ASN 74 1HD2 ASN 74 100.821 -22.805 9.682 530 HD22 ASN 74 2HD2 ASN 74 99.936 -22.986 11.120 531 H ASP 75 H ASP 75 98.134 -20.885 5.750 532 HA ASP 75 HA ASP 75 99.365 -21.868 3.362 533 HB2 ASP 75 1HB ASP 75 96.929 -21.120 3.691 534 HB3 ASP 75 2HB ASP 75 97.537 -19.471 3.559 535 H TRP 76 H TRP 76 100.030 -20.147 1.619 536 HA TRP 76 HA TRP 76 102.136 -18.507 2.772 537 HB2 TRP 76 1HB TRP 76 101.309 -19.016 -0.089 538 HB3 TRP 76 2HB TRP 76 102.698 -18.063 0.395 539 HD1 TRP 76 HD1 TRP 76 104.628 -19.445 1.817 540 HE1 TRP 76 HE1 TRP 76 105.419 -21.878 1.504 541 HE3 TRP 76 HE3 TRP 76 100.656 -21.338 -0.774 542 HZ2 TRP 76 HZ2 TRP 76 104.489 -24.309 0.312 543 HZ3 TRP 76 HZ3 TRP 76 100.633 -23.708 -1.483 544 HH2 TRP 76 HH2 TRP 76 102.539 -25.197 -0.947 545 H ALA 77 H ALA 77 99.872 -17.516 3.712 546 HA ALA 77 HA ALA 77 99.233 -15.136 2.084 547 HB1 ALA 77 1HB ALA 77 96.976 -15.208 3.037 548 HB2 ALA 77 2HB ALA 77 97.394 -16.667 3.935 549 HB3 ALA 77 3HB ALA 77 97.344 -16.701 2.172 550 H SER 78 H SER 78 101.338 -15.309 4.233 551 HA SER 78 HA SER 78 100.079 -14.750 6.759 552 HB2 SER 78 1HB SER 78 102.989 -14.485 5.962 553 HB3 SER 78 2HB SER 78 102.358 -14.506 7.604 554 HG SER 78 HG SER 78 103.170 -16.561 6.558 555 H ILE 79 H ILE 79 100.383 -12.766 8.003 556 HA ILE 79 HA ILE 79 100.473 -10.392 6.227 557 HB ILE 79 HB ILE 79 98.307 -10.954 8.273 558 HG12 ILE 79 1HG1 ILE 79 98.106 -10.864 5.247 559 HG13 ILE 79 2HG1 ILE 79 98.164 -12.356 6.186 560 HG21 ILE 79 1HG2 ILE 79 98.523 -8.749 6.204 561 HG22 ILE 79 2HG2 ILE 79 98.972 -8.548 7.898 562 HG23 ILE 79 3HG2 ILE 79 97.300 -8.909 7.464 563 HD11 ILE 79 3HD1 ILE 79 95.835 -11.769 5.694 564 HD12 ILE 79 1HD1 ILE 79 96.064 -10.184 6.430 565 HD13 ILE 79 2HD1 ILE 79 96.140 -11.636 7.427 566 H TYR 80 H TYR 80 101.675 -8.796 7.069 567 HA TYR 80 HA TYR 80 101.944 -8.663 10.023 568 HB2 TYR 80 1HB TYR 80 104.257 -8.107 9.833 569 HB3 TYR 80 2HB TYR 80 103.987 -9.601 8.961 570 HD1 TYR 80 HD1 TYR 80 104.013 -9.611 6.467 571 HD2 TYR 80 HD2 TYR 80 105.007 -6.108 8.749 572 HE1 TYR 80 HE1 TYR 80 105.081 -8.609 4.465 573 HE2 TYR 80 HE2 TYR 80 106.074 -5.108 6.745 574 HH TYR 80 HH TYR 80 106.843 -6.887 3.992 575 H GLY 81 H GLY 81 101.790 -6.666 10.915 576 HA2 GLY 81 1HA GLY 81 101.600 -4.347 9.066 577 HA3 GLY 81 2HA GLY 81 100.412 -4.599 10.343 578 H VAL 82 H VAL 82 102.573 -2.480 9.781 579 HA VAL 82 HA VAL 82 103.785 -2.518 12.473 580 HB VAL 82 HB VAL 82 105.916 -1.713 11.500 581 HG11 VAL 82 1HG1 VAL 82 104.809 -4.386 10.641 582 HG12 VAL 82 2HG1 VAL 82 105.925 -4.031 11.959 583 HG13 VAL 82 3HG1 VAL 82 106.474 -3.928 10.287 584 HG21 VAL 82 3HG2 VAL 82 104.947 -0.778 9.410 585 HG22 VAL 82 1HG2 VAL 82 104.610 -2.417 8.852 586 HG23 VAL 82 2HG2 VAL 82 106.278 -1.889 9.078 587 H VAL 83 H VAL 83 104.408 -0.465 13.272 588 HA VAL 83 HA VAL 83 103.497 1.881 11.727 589 HB VAL 83 HB VAL 83 101.814 1.389 13.464 590 HG11 VAL 83 1HG1 VAL 83 103.311 0.206 15.042 591 HG12 VAL 83 2HG1 VAL 83 102.423 1.506 15.839 592 HG13 VAL 83 3HG1 VAL 83 104.117 1.732 15.405 593 HG21 VAL 83 3HG2 VAL 83 103.430 3.760 14.398 594 HG22 VAL 83 1HG2 VAL 83 101.676 3.587 14.325 595 HG23 VAL 83 2HG2 VAL 83 102.609 3.769 12.838 596 H GLY 84 H GLY 84 104.870 3.690 11.905 597 HA2 GLY 84 1HA GLY 84 107.230 3.432 13.620 598 HA3 GLY 84 2HA GLY 84 107.497 3.433 11.880 599 H VAL 85 H VAL 85 108.739 5.359 13.126 600 HA VAL 85 HA VAL 85 107.098 7.783 12.617 601 HB VAL 85 HB VAL 85 107.667 7.567 15.007 602 HG11 VAL 85 1HG1 VAL 85 109.747 6.238 14.708 603 HG12 VAL 85 2HG1 VAL 85 109.999 7.646 15.740 604 HG13 VAL 85 3HG1 VAL 85 110.546 7.672 14.064 605 HG21 VAL 85 3HG2 VAL 85 109.319 9.722 13.663 606 HG22 VAL 85 1HG2 VAL 85 108.614 9.780 15.279 607 HG23 VAL 85 2HG2 VAL 85 107.569 9.799 13.859 608 H GLY 86 H GLY 86 107.871 9.142 11.114 609 HA2 GLY 86 1HA GLY 86 110.601 8.614 10.049 610 HA3 GLY 86 2HA GLY 86 109.241 9.160 9.072 611 H TYR 87 H TYR 87 112.027 10.248 9.997 612 HA TYR 87 HA TYR 87 111.072 12.981 10.633 613 HB2 TYR 87 1HB TYR 87 113.657 11.667 11.482 614 HB3 TYR 87 2HB TYR 87 113.209 13.330 11.798 615 HD1 TYR 87 HD1 TYR 87 111.225 13.803 13.304 616 HD2 TYR 87 HD2 TYR 87 112.945 9.890 12.875 617 HE1 TYR 87 HE1 TYR 87 110.135 13.092 15.414 618 HE2 TYR 87 HE2 TYR 87 111.854 9.180 14.986 619 HH TYR 87 HH TYR 87 110.920 10.106 16.972 620 H GLY 88 H GLY 88 111.899 14.627 9.421 621 HA2 GLY 88 1HA GLY 88 113.604 13.862 7.137 622 HA3 GLY 88 2HA GLY 88 112.543 15.264 7.196 623 H LYS 89 H LYS 89 115.479 14.981 6.639 624 HA LYS 89 HA LYS 89 116.346 17.110 8.488 625 HB2 LYS 89 1HB LYS 89 118.599 16.093 8.595 626 HB3 LYS 89 2HB LYS 89 117.370 15.049 9.312 627 HG2 LYS 89 1HG LYS 89 117.214 13.871 7.070 628 HG3 LYS 89 2HG LYS 89 118.646 14.778 6.578 629 HD2 LYS 89 1HD LYS 89 118.510 13.004 9.031 630 HD3 LYS 89 2HD LYS 89 119.187 12.505 7.481 631 HE2 LYS 89 1HE LYS 89 121.102 13.238 8.574 632 HE3 LYS 89 2HE LYS 89 120.614 14.716 7.742 633 HZ1 LYS 89 3HZ LYS 89 119.316 14.408 10.271 634 HZ2 LYS 89 1HZ LYS 89 120.200 15.722 9.665 635 HZ3 LYS 89 2HZ LYS 89 121.007 14.434 10.426 636 H PHE 90 H PHE 90 117.612 18.697 7.549 637 HA PHE 90 HA PHE 90 117.764 18.583 4.609 638 HB2 PHE 90 1HB PHE 90 116.551 20.465 5.674 639 HB3 PHE 90 2HB PHE 90 118.038 20.942 6.472 640 HD1 PHE 90 HD2 PHE 90 116.216 20.798 3.284 641 HD2 PHE 90 HD1 PHE 90 119.864 21.978 5.217 642 HE1 PHE 90 HE2 PHE 90 116.830 22.152 1.299 643 HE2 PHE 90 HE1 PHE 90 120.480 23.333 3.232 644 HZ PHE 90 HZ PHE 90 118.962 23.418 1.274 645 H GLN 91 H GLN 91 119.642 18.422 3.588 646 HA GLN 91 HA GLN 91 122.135 19.122 5.024 647 HB2 GLN 91 1HB GLN 91 121.648 16.760 3.194 648 HB3 GLN 91 2HB GLN 91 123.230 17.252 3.801 649 HG2 GLN 91 1HG GLN 91 122.488 16.919 6.105 650 HG3 GLN 91 2HG GLN 91 120.866 16.514 5.548 651 HE21 GLN 91 1HE2 GLN 91 122.454 14.688 7.106 652 HE22 GLN 91 2HE2 GLN 91 122.824 13.350 6.128 653 H THR 92 H THR 92 123.778 20.041 3.760 654 HA THR 92 HA THR 92 122.861 21.072 1.139 655 HB THR 92 HB THR 92 124.437 22.904 1.483 656 HG1 THR 92 HG1 THR 92 125.982 21.755 2.679 657 HG21 THR 92 3HG2 THR 92 123.395 23.883 3.565 658 HG22 THR 92 1HG2 THR 92 122.610 22.327 3.827 659 HG23 THR 92 2HG2 THR 92 122.235 23.271 2.386 660 H THR 93 H THR 93 124.287 21.094 -0.616 661 HA THR 93 HA THR 93 126.128 18.866 -0.684 662 HB THR 93 HB THR 93 126.331 19.395 -3.066 663 HG1 THR 93 HG1 THR 93 124.899 21.182 -3.755 664 HG21 THR 93 3HG2 THR 93 123.881 19.224 -3.641 665 HG22 THR 93 1HG2 THR 93 123.525 19.479 -1.932 666 HG23 THR 93 2HG2 THR 93 124.429 18.052 -2.442 667 H GLU 94 H GLU 94 126.396 22.343 -0.386 668 HA GLU 94 HA GLU 94 128.964 22.727 -1.445 669 HB2 GLU 94 1HB GLU 94 127.563 24.189 0.803 670 HB3 GLU 94 2HB GLU 94 129.022 24.755 -0.010 671 HG2 GLU 94 1HG GLU 94 127.800 24.704 -2.177 672 HG3 GLU 94 2HG GLU 94 126.340 24.227 -1.321 673 H TYR 95 H TYR 95 127.934 21.650 1.764 674 HA TYR 95 HA TYR 95 130.705 20.843 2.309 675 HB2 TYR 95 1HB TYR 95 129.018 22.385 4.281 676 HB3 TYR 95 2HB TYR 95 130.636 21.770 4.553 677 HD1 TYR 95 HD1 TYR 95 128.643 24.188 2.542 678 HD2 TYR 95 HD2 TYR 95 132.547 23.026 3.908 679 HE1 TYR 95 HE1 TYR 95 129.579 26.314 1.676 680 HE2 TYR 95 HE2 TYR 95 133.483 25.153 3.042 681 HH TYR 95 HH TYR 95 131.764 27.771 2.357 682 HA PRO 96 HA PRO 96 128.599 17.300 3.973 683 HB2 PRO 96 1HB PRO 96 130.360 16.357 5.823 684 HB3 PRO 96 2HB PRO 96 130.638 16.214 4.076 685 HG2 PRO 96 1HG PRO 96 131.797 18.134 6.021 686 HG3 PRO 96 2HG PRO 96 132.553 17.335 4.631 687 HD2 PRO 96 1HD PRO 96 131.663 19.939 4.591 688 HD3 PRO 96 2HD PRO 96 131.806 18.919 3.143 689 H THR 97 H THR 97 130.129 19.332 6.468 690 HA THR 97 HA THR 97 128.085 18.688 8.425 691 HB THR 97 HB THR 97 130.269 20.782 8.549 692 HG1 THR 97 HG1 THR 97 131.285 18.867 8.369 693 HG21 THR 97 3HG2 THR 97 128.398 21.054 10.164 694 HG22 THR 97 1HG2 THR 97 129.913 20.633 10.965 695 HG23 THR 97 2HG2 THR 97 128.670 19.403 10.726 696 H TYR 98 H TYR 98 126.391 19.971 9.031 697 HA TYR 98 HA TYR 98 125.902 22.381 7.376 698 HB2 TYR 98 1HB TYR 98 123.542 21.914 7.602 699 HB3 TYR 98 2HB TYR 98 124.364 20.511 6.949 700 HD1 TYR 98 HD2 TYR 98 124.589 18.460 8.265 701 HD2 TYR 98 HD1 TYR 98 122.581 21.912 9.842 702 HE1 TYR 98 HE2 TYR 98 123.626 17.070 10.078 703 HE2 TYR 98 HE1 TYR 98 121.616 20.523 11.655 704 HH TYR 98 HH TYR 98 121.100 18.180 12.098 705 H LYS 99 H LYS 99 125.695 24.268 8.385 706 HA LYS 99 HA LYS 99 126.074 24.556 11.175 707 HB2 LYS 99 1HB LYS 99 124.961 26.532 9.169 708 HB3 LYS 99 2HB LYS 99 125.540 26.931 10.788 709 HG2 LYS 99 1HG LYS 99 127.764 25.905 10.136 710 HG3 LYS 99 2HG LYS 99 127.159 25.821 8.482 711 HD2 LYS 99 1HD LYS 99 127.317 28.365 10.123 712 HD3 LYS 99 2HD LYS 99 128.504 27.881 8.913 713 HE2 LYS 99 1HE LYS 99 126.465 27.699 7.310 714 HE3 LYS 99 2HE LYS 99 125.628 28.681 8.509 715 HZ1 LYS 99 3HZ LYS 99 127.093 30.439 8.208 716 HZ2 LYS 99 1HZ LYS 99 126.850 29.869 6.629 717 HZ3 LYS 99 2HZ LYS 99 128.273 29.470 7.463 718 H HIS 100 H HIS 100 123.179 24.614 9.134 719 HA HIS 100 HA HIS 100 121.535 24.288 11.553 720 HB2 HIS 100 1HB HIS 100 120.944 26.260 9.344 721 HB3 HIS 100 2HB HIS 100 119.905 25.908 10.713 722 HD1 HIS 100 HD1 HIS 100 121.088 26.466 13.145 723 HD2 HIS 100 HD2 HIS 100 122.677 28.350 9.783 724 HE1 HIS 100 HE1 HIS 100 122.435 28.432 13.997 725 H ASP 101 H ASP 101 119.319 23.557 11.041 726 HA ASP 101 HA ASP 101 118.780 22.520 8.402 727 HB2 ASP 101 1HB ASP 101 118.625 20.173 9.053 728 HB3 ASP 101 2HB ASP 101 120.263 20.766 9.288 729 H THR 102 H THR 102 116.681 21.204 8.453 730 HA THR 102 HA THR 102 114.864 22.249 10.553 731 HB THR 102 HB THR 102 114.199 21.881 7.619 732 HG1 THR 102 HG1 THR 102 114.434 24.031 7.447 733 HG21 THR 102 3HG2 THR 102 112.660 23.188 9.880 734 HG22 THR 102 1HG2 THR 102 112.322 21.584 9.231 735 HG23 THR 102 2HG2 THR 102 112.118 23.009 8.211 736 H SER 103 H SER 103 113.483 20.781 11.442 737 HA SER 103 HA SER 103 113.459 18.054 10.276 738 HB2 SER 103 1HB SER 103 113.684 18.779 13.205 739 HB3 SER 103 2HB SER 103 113.536 17.150 12.556 740 HG SER 103 HG SER 103 115.713 17.679 12.903 741 H ASP 104 H ASP 104 111.574 17.034 10.211 742 HA ASP 104 HA ASP 104 109.317 17.959 11.854 743 HB2 ASP 104 1HB ASP 104 109.229 17.504 8.858 744 HB3 ASP 104 2HB ASP 104 107.808 17.710 9.880 745 H TYR 105 H TYR 105 107.678 16.266 12.120 746 HA TYR 105 HA TYR 105 108.709 13.555 11.499 747 HB2 TYR 105 1HB TYR 105 108.102 12.798 13.680 748 HB3 TYR 105 2HB TYR 105 109.137 14.202 13.851 749 HD1 TYR 105 HD1 TYR 105 105.745 12.855 14.285 750 HD2 TYR 105 HD2 TYR 105 108.252 16.315 14.721 751 HE1 TYR 105 HE1 TYR 105 104.025 13.922 15.721 752 HE2 TYR 105 HE2 TYR 105 106.534 17.381 16.156 753 HH TYR 105 HH TYR 105 104.663 16.847 17.486 754 H GLY 106 H GLY 106 107.226 11.965 11.055 755 HA2 GLY 106 1HA GLY 106 104.364 12.639 11.188 756 HA3 GLY 106 2HA GLY 106 105.041 12.122 9.642 757 H PHE 107 H PHE 107 103.015 10.626 10.788 758 HA PHE 107 HA PHE 107 104.396 8.292 11.980 759 HB2 PHE 107 1HB PHE 107 101.465 9.022 11.911 760 HB3 PHE 107 2HB PHE 107 102.122 7.557 12.617 761 HD1 PHE 107 HD1 PHE 107 103.536 7.679 14.665 762 HD2 PHE 107 HD2 PHE 107 101.567 11.133 13.040 763 HE1 PHE 107 HE1 PHE 107 103.877 8.883 16.807 764 HE2 PHE 107 HE2 PHE 107 101.906 12.336 15.181 765 HZ PHE 107 HZ PHE 107 103.062 11.210 17.065 766 H SER 108 H SER 108 104.672 6.509 10.762 767 HA SER 108 HA SER 108 103.127 6.320 8.226 768 HB2 SER 108 1HB SER 108 105.018 5.082 7.323 769 HB3 SER 108 2HB SER 108 105.570 6.632 7.947 770 HG SER 108 HG SER 108 106.288 5.574 9.800 771 H TYR 109 H TYR 109 102.191 4.381 7.658 772 HA TYR 109 HA TYR 109 102.509 2.098 9.503 773 HB2 TYR 109 1HB TYR 109 100.439 3.338 10.100 774 HB3 TYR 109 2HB TYR 109 99.863 3.118 8.459 775 HD1 TYR 109 HD1 TYR 109 100.674 1.407 11.636 776 HD2 TYR 109 HD2 TYR 109 98.942 1.016 7.725 777 HE1 TYR 109 HE1 TYR 109 99.699 -0.779 12.287 778 HE2 TYR 109 HE2 TYR 109 97.965 -1.168 8.375 779 HH TYR 109 HH TYR 109 97.271 -2.232 10.763 780 H GLY 110 H GLY 110 102.378 0.071 8.487 781 HA2 GLY 110 1HA GLY 110 101.746 0.020 5.624 782 HA3 GLY 110 2HA GLY 110 103.391 -0.401 6.086 783 H ALA 111 H ALA 111 101.616 -2.119 4.746 784 HA ALA 111 HA ALA 111 101.713 -4.369 6.609 785 HB1 ALA 111 1HB ALA 111 99.352 -3.242 6.569 786 HB2 ALA 111 2HB ALA 111 99.473 -4.997 6.452 787 HB3 ALA 111 3HB ALA 111 99.202 -4.031 4.999 788 H GLY 112 H GLY 112 101.885 -6.405 5.551 789 HA2 GLY 112 1HA GLY 112 101.936 -6.390 2.622 790 HA3 GLY 112 2HA GLY 112 103.462 -6.709 3.434 791 H LEU 113 H LEU 113 102.321 -8.483 1.678 792 HA LEU 113 HA LEU 113 101.323 -10.696 3.368 793 HB2 LEU 113 1HB LEU 113 101.181 -10.413 0.354 794 HB3 LEU 113 2HB LEU 113 100.459 -11.699 1.320 795 HG LEU 113 HG LEU 113 99.746 -8.759 1.542 796 HD11 LEU 113 1HD1 LEU 113 98.249 -11.079 0.283 797 HD12 LEU 113 2HD1 LEU 113 98.999 -9.747 -0.592 798 HD13 LEU 113 3HD1 LEU 113 97.624 -9.440 0.469 799 HD21 LEU 113 3HD2 LEU 113 98.801 -11.277 2.910 800 HD22 LEU 113 1HD2 LEU 113 97.748 -9.868 2.778 801 HD23 LEU 113 2HD2 LEU 113 99.282 -9.745 3.638 802 H GLN 114 H GLN 114 102.387 -12.785 3.159 803 HA GLN 114 HA GLN 114 105.088 -12.569 1.925 804 HB2 GLN 114 1HB GLN 114 105.104 -12.448 4.423 805 HB3 GLN 114 2HB GLN 114 104.387 -14.059 4.458 806 HG2 GLN 114 1HG GLN 114 106.307 -14.903 3.114 807 HG3 GLN 114 2HG GLN 114 107.037 -13.312 3.202 808 HE21 GLN 114 1HE2 GLN 114 105.734 -13.516 6.244 809 HE22 GLN 114 2HE2 GLN 114 107.008 -14.305 7.038 810 H PHE 115 H PHE 115 105.638 -14.112 0.537 811 HA PHE 115 HA PHE 115 104.294 -16.745 0.721 812 HB2 PHE 115 1HB PHE 115 103.565 -15.503 -1.299 813 HB3 PHE 115 2HB PHE 115 105.240 -15.301 -1.769 814 HD1 PHE 115 HD1 PHE 115 106.595 -17.311 -2.427 815 HD2 PHE 115 HD2 PHE 115 102.359 -17.512 -1.744 816 HE1 PHE 115 HE1 PHE 115 106.498 -19.465 -3.653 817 HE2 PHE 115 HE2 PHE 115 102.263 -19.667 -2.966 818 HZ PHE 115 HZ PHE 115 104.332 -20.643 -3.921 819 H ASN 116 H ASN 116 105.841 -18.136 1.500 820 HA ASN 116 HA ASN 116 108.670 -17.450 0.901 821 HB2 ASN 116 1HB ASN 116 109.198 -18.334 3.127 822 HB3 ASN 116 2HB ASN 116 108.097 -16.960 3.195 823 HD21 ASN 116 1HD2 ASN 116 108.401 -20.397 3.838 824 HD22 ASN 116 2HD2 ASN 116 106.860 -20.595 4.521 825 HA PRO 117 HA PRO 117 109.322 -21.883 0.458 826 HB2 PRO 117 1HB PRO 117 111.230 -21.565 -1.587 827 HB3 PRO 117 2HB PRO 117 109.533 -22.022 -1.817 828 HG2 PRO 117 1HG PRO 117 110.764 -19.661 -2.674 829 HG3 PRO 117 2HG PRO 117 109.030 -20.016 -2.668 830 HD2 PRO 117 1HD PRO 117 110.632 -18.454 -0.678 831 HD3 PRO 117 2HD PRO 117 108.947 -18.220 -1.208 832 H MET 118 H MET 118 111.711 -22.897 0.475 833 HA MET 118 HA MET 118 112.877 -21.920 2.834 834 HB2 MET 118 1HB MET 118 114.020 -23.793 0.753 835 HB3 MET 118 2HB MET 118 114.681 -23.553 2.370 836 HG2 MET 118 1HG MET 118 112.440 -24.216 3.308 837 HG3 MET 118 2HG MET 118 111.939 -24.633 1.669 838 HE1 MET 118 3HE MET 118 114.642 -26.577 4.613 839 HE2 MET 118 1HE MET 118 114.243 -24.868 4.410 840 HE3 MET 118 2HE MET 118 115.638 -25.553 3.583 841 H GLU 119 H GLU 119 114.453 -20.547 3.282 842 HA GLU 119 HA GLU 119 116.323 -19.281 3.161 843 HB2 GLU 119 1HB GLU 119 117.009 -21.469 1.863 844 HB3 GLU 119 2HB GLU 119 117.033 -20.387 0.471 845 HG2 GLU 119 1HG GLU 119 118.559 -18.857 1.760 846 HG3 GLU 119 2HG GLU 119 118.590 -20.045 3.048 847 H ASN 120 H ASN 120 117.374 -18.324 0.348 848 HA ASN 120 HA ASN 120 116.354 -15.731 0.752 849 HB2 ASN 120 1HB ASN 120 117.844 -16.885 -1.606 850 HB3 ASN 120 2HB ASN 120 117.626 -15.169 -1.269 851 HD21 ASN 120 1HD2 ASN 120 119.895 -17.547 -0.972 852 HD22 ASN 120 2HD2 ASN 120 120.715 -16.991 0.406 853 H VAL 121 H VAL 121 114.844 -18.287 -0.877 854 HA VAL 121 HA VAL 121 113.939 -16.765 -3.152 855 HB VAL 121 HB VAL 121 112.827 -19.454 -2.382 856 HG11 VAL 121 1HG1 VAL 121 112.972 -19.530 -5.020 857 HG12 VAL 121 2HG1 VAL 121 113.084 -17.778 -4.865 858 HG13 VAL 121 3HG1 VAL 121 111.673 -18.629 -4.250 859 HG21 VAL 121 3HG2 VAL 121 114.636 -20.468 -3.767 860 HG22 VAL 121 1HG2 VAL 121 115.273 -19.707 -2.307 861 HG23 VAL 121 2HG2 VAL 121 115.422 -18.892 -3.865 862 H ALA 122 H ALA 122 113.016 -16.015 -0.247 863 HA ALA 122 HA ALA 122 110.107 -16.368 -0.653 864 HB1 ALA 122 1HB ALA 122 111.124 -17.136 1.504 865 HB2 ALA 122 2HB ALA 122 109.882 -15.902 1.711 866 HB3 ALA 122 3HB ALA 122 111.586 -15.466 1.829 867 H LEU 123 H LEU 123 108.714 -14.587 -0.660 868 HA LEU 123 HA LEU 123 110.035 -11.977 -1.075 869 HB2 LEU 123 1HB LEU 123 109.768 -13.170 -3.250 870 HB3 LEU 123 2HB LEU 123 108.034 -13.248 -2.959 871 HG LEU 123 HG LEU 123 108.163 -10.675 -2.697 872 HD11 LEU 123 1HD1 LEU 123 110.575 -10.911 -4.472 873 HD12 LEU 123 2HD1 LEU 123 110.793 -10.937 -2.724 874 HD13 LEU 123 3HD1 LEU 123 110.036 -9.545 -3.495 875 HD21 LEU 123 3HD2 LEU 123 108.585 -12.128 -5.320 876 HD22 LEU 123 1HD2 LEU 123 108.142 -10.424 -5.227 877 HD23 LEU 123 2HD2 LEU 123 107.052 -11.657 -4.589 878 H ASP 124 H ASP 124 108.834 -10.220 -0.471 879 HA ASP 124 HA ASP 124 106.017 -10.672 0.311 880 HB2 ASP 124 1HB ASP 124 106.351 -9.356 2.335 881 HB3 ASP 124 2HB ASP 124 107.427 -10.749 2.335 882 H PHE 125 H PHE 125 104.649 -8.940 0.066 883 HA PHE 125 HA PHE 125 105.768 -6.536 -1.278 884 HB2 PHE 125 1HB PHE 125 103.112 -7.897 -1.764 885 HB3 PHE 125 2HB PHE 125 103.593 -6.364 -2.459 886 HD1 PHE 125 HD1 PHE 125 105.546 -6.305 -4.071 887 HD2 PHE 125 HD2 PHE 125 103.754 -9.966 -2.715 888 HE1 PHE 125 HE1 PHE 125 106.560 -7.510 -5.986 889 HE2 PHE 125 HE2 PHE 125 104.770 -11.172 -4.629 890 HZ PHE 125 HZ PHE 125 106.170 -9.945 -6.265 891 H SER 126 H SER 126 105.158 -4.580 -0.388 892 HA SER 126 HA SER 126 102.962 -4.594 1.577 893 HB2 SER 126 1HB SER 126 105.083 -5.002 2.812 894 HB3 SER 126 2HB SER 126 105.710 -3.486 2.179 895 HG SER 126 HG SER 126 104.030 -3.935 4.245 896 H TYR 127 H TYR 127 102.051 -2.567 2.009 897 HA TYR 127 HA TYR 127 102.931 -0.351 0.253 898 HB2 TYR 127 1HB TYR 127 100.651 0.353 0.054 899 HB3 TYR 127 2HB TYR 127 100.738 -1.338 -0.388 900 HD1 TYR 127 HD2 TYR 127 99.711 -3.063 1.022 901 HD2 TYR 127 HD1 TYR 127 99.521 1.098 2.076 902 HE1 TYR 127 HE2 TYR 127 97.930 -3.561 2.675 903 HE2 TYR 127 HE1 TYR 127 97.742 0.598 3.729 904 HH TYR 127 HH TYR 127 96.430 -2.691 4.077 905 H GLU 128 H GLU 128 102.974 1.709 1.161 906 HA GLU 128 HA GLU 128 102.665 1.826 4.107 907 HB2 GLU 128 1HB GLU 128 105.059 1.643 3.372 908 HB3 GLU 128 2HB GLU 128 104.852 3.164 2.504 909 HG2 GLU 128 1HG GLU 128 104.176 4.255 4.635 910 HG3 GLU 128 2HG GLU 128 104.488 2.748 5.482 911 H GLN 129 H GLN 129 101.771 3.657 4.929 912 HA GLN 129 HA GLN 129 101.035 5.800 3.025 913 HB2 GLN 129 1HB GLN 129 99.312 4.423 5.090 914 HB3 GLN 129 2HB GLN 129 98.890 5.978 4.372 915 HG2 GLN 129 1HG GLN 129 99.437 3.451 2.792 916 HG3 GLN 129 2HG GLN 129 97.828 4.054 3.190 917 HE21 GLN 129 1HE2 GLN 129 99.787 3.939 0.604 918 HE22 GLN 129 2HE2 GLN 129 99.453 5.442 -0.110 919 H SER 130 H SER 130 101.440 7.784 3.666 920 HA SER 130 HA SER 130 101.895 8.331 6.535 921 HB2 SER 130 1HB SER 130 103.803 8.848 4.890 922 HB3 SER 130 2HB SER 130 102.764 10.127 4.273 923 HG SER 130 HG SER 130 104.232 10.016 6.554 924 H ARG 131 H ARG 131 100.932 10.276 7.356 925 HA ARG 131 HA ARG 131 98.156 10.103 6.480 926 HB2 ARG 131 1HB ARG 131 98.824 9.570 8.833 927 HB3 ARG 131 2HB ARG 131 99.315 11.250 9.034 928 HG2 ARG 131 1HG ARG 131 97.016 11.983 8.483 929 HG3 ARG 131 2HG ARG 131 96.525 10.293 8.329 930 HD2 ARG 131 1HD ARG 131 97.237 9.920 10.694 931 HD3 ARG 131 2HD ARG 131 97.584 11.642 10.827 932 HE ARG 131 HE ARG 131 95.300 12.058 10.928 933 HH11 ARG 131 1HH1 ARG 131 95.794 8.719 9.961 934 HH12 ARG 131 2HH1 ARG 131 94.120 8.316 10.138 935 HH21 ARG 131 1HH2 ARG 131 93.158 11.479 11.138 936 HH22 ARG 131 2HH2 ARG 131 92.645 9.860 10.797 937 H ILE 132 H ILE 132 96.779 12.190 6.568 938 HA ILE 132 HA ILE 132 98.271 13.247 4.315 939 HB ILE 132 HB ILE 132 95.311 13.390 4.934 940 HG12 ILE 132 1HG1 ILE 132 96.746 11.544 3.012 941 HG13 ILE 132 2HG1 ILE 132 96.327 11.062 4.654 942 HG21 ILE 132 1HG2 ILE 132 95.199 13.736 2.408 943 HG22 ILE 132 2HG2 ILE 132 96.940 14.005 2.456 944 HG23 ILE 132 3HG2 ILE 132 95.859 15.088 3.327 945 HD11 ILE 132 3HD1 ILE 132 94.407 11.933 2.480 946 HD12 ILE 132 1HD1 ILE 132 93.939 11.634 4.154 947 HD13 ILE 132 2HD1 ILE 132 94.565 10.315 3.165 948 H ARG 133 H ARG 133 99.458 14.892 5.072 949 HA ARG 133 HA ARG 133 98.154 17.451 5.570 950 HB2 ARG 133 1HB ARG 133 101.011 16.719 4.851 951 HB3 ARG 133 2HB ARG 133 100.449 18.354 5.198 952 HG2 ARG 133 1HG ARG 133 99.693 17.571 7.447 953 HG3 ARG 133 2HG ARG 133 100.404 15.995 7.100 954 HD2 ARG 133 1HD ARG 133 101.887 18.636 7.204 955 HD3 ARG 133 2HD ARG 133 101.973 17.349 8.402 956 HE ARG 133 HE ARG 133 102.652 16.343 5.832 957 HH11 ARG 133 1HH1 ARG 133 103.986 18.334 8.398 958 HH12 ARG 133 2HH1 ARG 133 105.622 17.953 7.978 959 HH21 ARG 133 1HH2 ARG 133 104.779 15.890 5.340 960 HH22 ARG 133 2HH2 ARG 133 106.064 16.587 6.269 961 H SER 134 H SER 134 99.206 19.134 3.717 962 HA SER 134 HA SER 134 97.516 18.805 1.541 963 HB2 SER 134 1HB SER 134 98.715 20.624 0.494 964 HB3 SER 134 2HB SER 134 98.609 20.931 2.224 965 HG SER 134 HG SER 134 100.706 20.921 2.252 966 H VAL 135 H VAL 135 100.569 17.193 2.016 967 HA VAL 135 HA VAL 135 100.198 16.012 -0.677 968 HB VAL 135 HB VAL 135 102.323 17.252 -0.517 969 HG11 VAL 135 1HG1 VAL 135 104.048 16.603 1.046 970 HG12 VAL 135 2HG1 VAL 135 103.057 15.279 1.660 971 HG13 VAL 135 3HG1 VAL 135 102.584 16.950 1.966 972 HG21 VAL 135 3HG2 VAL 135 102.271 15.290 -1.947 973 HG22 VAL 135 1HG2 VAL 135 102.569 14.231 -0.567 974 HG23 VAL 135 2HG2 VAL 135 103.827 15.339 -1.118 975 H ASP 136 H ASP 136 99.772 13.891 -0.726 976 HA ASP 136 HA ASP 136 100.076 12.309 1.760 977 HB2 ASP 136 1HB ASP 136 97.725 12.651 1.061 978 HB3 ASP 136 2HB ASP 136 98.097 11.934 -0.503 979 H VAL 137 H VAL 137 101.063 10.229 1.603 980 HA VAL 137 HA VAL 137 102.477 9.866 -1.001 981 HB VAL 137 HB VAL 137 104.298 8.838 0.184 982 HG11 VAL 137 1HG1 VAL 137 104.399 11.248 -0.019 983 HG12 VAL 137 2HG1 VAL 137 105.011 10.799 1.572 984 HG13 VAL 137 3HG1 VAL 137 103.381 11.452 1.408 985 HG21 VAL 137 3HG2 VAL 137 103.441 7.687 2.021 986 HG22 VAL 137 1HG2 VAL 137 102.419 9.033 2.515 987 HG23 VAL 137 2HG2 VAL 137 104.157 9.096 2.805 988 H GLY 138 H GLY 138 102.446 7.985 -2.063 989 HA2 GLY 138 1HA GLY 138 101.298 5.618 -0.695 990 HA3 GLY 138 2HA GLY 138 100.959 5.980 -2.387 991 H THR 139 H THR 139 102.838 4.052 -0.476 992 HA THR 139 HA THR 139 105.028 3.984 -2.477 993 HB THR 139 HB THR 139 105.321 3.470 0.487 994 HG1 THR 139 HG1 THR 139 105.100 5.610 0.347 995 HG21 THR 139 3HG2 THR 139 107.428 3.895 -1.641 996 HG22 THR 139 1HG2 THR 139 106.875 2.299 -1.137 997 HG23 THR 139 2HG2 THR 139 107.673 3.360 0.023 998 H TRP 140 H TRP 140 105.487 2.051 -3.322 999 HA TRP 140 HA TRP 140 104.315 -0.364 -2.044 1000 HB2 TRP 140 1HB TRP 140 104.750 0.236 -4.977 1001 HB3 TRP 140 2HB TRP 140 104.280 -1.331 -4.346 1002 HD1 TRP 140 HD1 TRP 140 102.946 2.072 -5.236 1003 HE1 TRP 140 HE1 TRP 140 100.383 2.084 -4.979 1004 HE3 TRP 140 HE3 TRP 140 102.275 -2.417 -2.901 1005 HZ2 TRP 140 HZ2 TRP 140 98.314 0.406 -3.922 1006 HZ3 TRP 140 HZ3 TRP 140 100.005 -3.187 -2.283 1007 HH2 TRP 140 HH2 TRP 140 98.026 -1.784 -2.788 1008 H ILE 141 H ILE 141 105.759 -2.004 -1.594 1009 HA ILE 141 HA ILE 141 108.518 -1.686 -2.616 1010 HB ILE 141 HB ILE 141 108.347 -0.692 -0.365 1011 HG12 ILE 141 1HG1 ILE 141 109.816 -3.328 -0.195 1012 HG13 ILE 141 2HG1 ILE 141 110.392 -1.985 -1.182 1013 HG21 ILE 141 1HG2 ILE 141 107.862 -2.132 1.570 1014 HG22 ILE 141 2HG2 ILE 141 107.500 -3.473 0.483 1015 HG23 ILE 141 3HG2 ILE 141 106.476 -2.037 0.485 1016 HD11 ILE 141 3HD1 ILE 141 111.507 -1.591 0.827 1017 HD12 ILE 141 1HD1 ILE 141 110.160 -2.171 1.806 1018 HD13 ILE 141 2HD1 ILE 141 110.067 -0.594 1.023 1019 H ALA 142 H ALA 142 109.652 -3.545 -2.974 1020 HA ALA 142 HA ALA 142 108.355 -6.113 -2.260 1021 HB1 ALA 142 1HB ALA 142 108.018 -5.806 -4.641 1022 HB2 ALA 142 2HB ALA 142 109.276 -7.021 -4.408 1023 HB3 ALA 142 3HB ALA 142 109.714 -5.375 -4.866 1024 H GLY 143 H GLY 143 109.697 -7.540 -1.268 1025 HA2 GLY 143 1HA GLY 143 112.606 -7.031 -1.363 1026 HA3 GLY 143 2HA GLY 143 111.791 -7.096 0.194 1027 H VAL 144 H VAL 144 113.912 -8.793 -0.753 1028 HA VAL 144 HA VAL 144 112.547 -11.424 -0.711 1029 HB VAL 144 HB VAL 144 114.486 -12.314 -1.979 1030 HG11 VAL 144 1HG1 VAL 144 113.974 -10.982 -4.142 1031 HG12 VAL 144 2HG1 VAL 144 112.836 -10.076 -3.145 1032 HG13 VAL 144 3HG1 VAL 144 112.636 -11.817 -3.354 1033 HG21 VAL 144 3HG2 VAL 144 115.954 -10.594 -3.128 1034 HG22 VAL 144 1HG2 VAL 144 116.212 -10.732 -1.388 1035 HG23 VAL 144 2HG2 VAL 144 115.275 -9.387 -2.037 1036 H GLY 145 H GLY 145 113.434 -12.967 0.689 1037 HA2 GLY 145 1HA GLY 145 115.834 -12.306 2.201 1038 HA3 GLY 145 2HA GLY 145 114.337 -12.286 3.121 1039 H TYR 146 H TYR 146 116.099 -13.886 4.051 1040 HA TYR 146 HA TYR 146 115.095 -16.588 3.441 1041 HB2 TYR 146 1HB TYR 146 117.300 -17.524 3.761 1042 HB3 TYR 146 2HB TYR 146 117.361 -16.338 2.478 1043 HD1 TYR 146 HD1 TYR 146 118.432 -14.122 2.876 1044 HD2 TYR 146 HD2 TYR 146 118.533 -17.266 5.802 1045 HE1 TYR 146 HE1 TYR 146 120.289 -12.970 4.049 1046 HE2 TYR 146 HE2 TYR 146 120.391 -16.113 6.975 1047 HH TYR 146 HH TYR 146 122.304 -14.005 5.753 1048 H ARG 147 H ARG 147 115.713 -18.086 5.351 1049 HA ARG 147 HA ARG 147 115.736 -16.674 7.904 1050 HB2 ARG 147 1HB ARG 147 113.746 -17.666 8.761 1051 HB3 ARG 147 2HB ARG 147 113.337 -16.896 7.240 1052 HG2 ARG 147 1HG ARG 147 113.964 -19.856 7.422 1053 HG3 ARG 147 2HG ARG 147 112.350 -19.217 7.674 1054 HD2 ARG 147 1HD ARG 147 112.512 -18.123 5.407 1055 HD3 ARG 147 2HD ARG 147 114.018 -18.995 5.160 1056 HE ARG 147 HE ARG 147 112.823 -20.971 4.923 1057 HH11 ARG 147 1HH1 ARG 147 110.654 -18.437 6.016 1058 HH12 ARG 147 2HH1 ARG 147 109.235 -19.387 5.726 1059 HH21 ARG 147 1HH2 ARG 147 110.962 -22.146 4.567 1060 HH22 ARG 147 2HH2 ARG 147 109.409 -21.461 4.915 1061 H PHE 148 H PHE 148 116.374 -17.944 9.684 1062 HA PHE 148 HA PHE 148 117.259 -20.687 9.071 1063 HB2 PHE 148 1HB PHE 148 119.149 -19.113 8.678 1064 HB3 PHE 148 2HB PHE 148 119.020 -18.591 10.347 1065 HD1 PHE 148 HD1 PHE 148 119.850 -21.437 8.123 1066 HD2 PHE 148 HD2 PHE 148 119.925 -19.911 12.137 1067 HE1 PHE 148 HE1 PHE 148 121.356 -23.288 8.800 1068 HE2 PHE 148 HE2 PHE 148 121.429 -21.763 12.814 1069 HZ PHE 148 HZ PHE 148 122.146 -23.451 11.145 Start of MODEL 17 1 H1 ALA 1 3H ALA 1 117.860 -21.435 18.394 2 H2 ALA 1 2H ALA 1 119.201 -20.809 17.556 3 H3 ALA 1 HT3 ALA 1 118.019 -21.705 16.727 4 HA ALA 1 HA ALA 1 116.458 -19.826 17.696 5 HB1 ALA 1 2HB ALA 1 117.936 -17.686 17.232 6 HB2 ALA 1 3HB ALA 1 119.262 -18.759 17.685 7 HB3 ALA 1 1HB ALA 1 117.953 -18.444 18.824 8 H THR 2 H THR 2 115.605 -18.497 16.005 9 HA THR 2 HA THR 2 116.681 -19.109 13.308 10 HB THR 2 HB THR 2 114.374 -19.160 12.492 11 HG1 THR 2 HG1 THR 2 113.489 -19.113 15.156 12 HG21 THR 2 3HG2 THR 2 115.372 -21.268 13.260 13 HG22 THR 2 1HG2 THR 2 113.645 -21.238 13.622 14 HG23 THR 2 2HG2 THR 2 114.821 -20.945 14.903 15 H SER 3 H SER 3 116.111 -17.511 11.659 16 HA SER 3 HA SER 3 115.168 -14.916 12.411 17 HB2 SER 3 1HB SER 3 117.428 -14.864 13.447 18 HB3 SER 3 2HB SER 3 118.134 -15.189 11.867 19 HG SER 3 HG SER 3 117.542 -13.220 11.193 20 H THR 4 H THR 4 114.808 -13.599 10.625 21 HA THR 4 HA THR 4 115.563 -14.721 7.986 22 HB THR 4 HB THR 4 112.983 -13.270 8.607 23 HG1 THR 4 HG1 THR 4 113.693 -15.982 8.678 24 HG21 THR 4 3HG2 THR 4 113.668 -15.046 6.265 25 HG22 THR 4 1HG2 THR 4 113.989 -13.311 6.247 26 HG23 THR 4 2HG2 THR 4 112.334 -13.900 6.411 27 H VAL 5 H VAL 5 116.240 -13.276 6.450 28 HA VAL 5 HA VAL 5 116.441 -10.432 7.293 29 HB VAL 5 HB VAL 5 118.500 -12.005 5.721 30 HG11 VAL 5 1HG1 VAL 5 118.338 -9.564 5.207 31 HG12 VAL 5 2HG1 VAL 5 119.870 -10.002 5.962 32 HG13 VAL 5 3HG1 VAL 5 118.609 -9.220 6.916 33 HG21 VAL 5 3HG2 VAL 5 118.585 -12.769 7.998 34 HG22 VAL 5 1HG2 VAL 5 118.385 -11.129 8.619 35 HG23 VAL 5 2HG2 VAL 5 119.887 -11.592 7.815 36 H THR 6 H THR 6 115.612 -9.002 5.885 37 HA THR 6 HA THR 6 115.185 -9.877 3.085 38 HB THR 6 HB THR 6 113.251 -8.230 4.727 39 HG1 THR 6 HG1 THR 6 113.406 -10.969 4.097 40 HG21 THR 6 3HG2 THR 6 113.037 -9.513 1.990 41 HG22 THR 6 1HG2 THR 6 113.232 -7.789 2.298 42 HG23 THR 6 2HG2 THR 6 111.759 -8.614 2.807 43 H GLY 7 H GLY 7 115.568 -8.385 1.526 44 HA2 GLY 7 1HA GLY 7 116.004 -5.579 2.328 45 HA3 GLY 7 2HA GLY 7 117.211 -6.399 1.333 46 H GLY 8 H GLY 8 115.237 -4.102 0.799 47 HA2 GLY 8 1HA GLY 8 114.482 -4.961 -1.856 48 HA3 GLY 8 2HA GLY 8 113.110 -4.769 -0.773 49 H TYR 9 H TYR 9 112.533 -3.144 -2.439 50 HA TYR 9 HA TYR 9 113.760 -0.529 -1.820 51 HB2 TYR 9 1HB TYR 9 113.785 0.105 -4.124 52 HB3 TYR 9 2HB TYR 9 114.660 -1.404 -3.965 53 HD1 TYR 9 HD1 TYR 9 113.646 -3.527 -4.788 54 HD2 TYR 9 HD2 TYR 9 111.772 0.287 -5.412 55 HE1 TYR 9 HE1 TYR 9 112.207 -4.521 -6.545 56 HE2 TYR 9 HE2 TYR 9 110.332 -0.708 -7.170 57 HH TYR 9 HH TYR 9 109.818 -3.895 -7.536 58 H ALA 10 H ALA 10 112.383 1.247 -2.100 59 HA ALA 10 HA ALA 10 109.506 0.618 -2.360 60 HB1 ALA 10 1HB ALA 10 108.976 1.819 -0.447 61 HB2 ALA 10 2HB ALA 10 110.462 2.767 -0.503 62 HB3 ALA 10 3HB ALA 10 110.506 1.089 0.035 63 H GLN 11 H GLN 11 108.303 2.085 -3.482 64 HA GLN 11 HA GLN 11 109.711 4.496 -4.509 65 HB2 GLN 11 1HB GLN 11 109.174 2.737 -6.238 66 HB3 GLN 11 2HB GLN 11 107.469 2.990 -5.871 67 HG2 GLN 11 1HG GLN 11 107.883 4.408 -7.721 68 HG3 GLN 11 2HG GLN 11 107.918 5.483 -6.324 69 HE21 GLN 11 1HE2 GLN 11 109.718 6.830 -6.243 70 HE22 GLN 11 2HE2 GLN 11 111.206 6.510 -6.993 71 H SER 12 H SER 12 108.761 6.410 -4.078 72 HA SER 12 HA SER 12 106.086 6.354 -2.798 73 HB2 SER 12 1HB SER 12 107.983 7.149 -1.372 74 HB3 SER 12 2HB SER 12 108.260 8.443 -2.532 75 HG SER 12 HG SER 12 106.885 9.357 -1.144 76 H ASP 13 H ASP 13 104.517 7.739 -3.504 77 HA ASP 13 HA ASP 13 104.751 8.462 -6.280 78 HB2 ASP 13 1HB ASP 13 102.703 7.444 -5.307 79 HB3 ASP 13 2HB ASP 13 102.449 8.917 -4.371 80 H ALA 14 H ALA 14 105.150 10.353 -7.134 81 HA ALA 14 HA ALA 14 105.601 12.641 -5.363 82 HB1 ALA 14 1HB ALA 14 106.579 13.521 -7.669 83 HB2 ALA 14 2HB ALA 14 106.618 11.796 -8.037 84 HB3 ALA 14 3HB ALA 14 107.499 12.421 -6.644 85 H GLN 15 H GLN 15 104.626 14.585 -5.597 86 HA GLN 15 HA GLN 15 102.167 14.680 -7.173 87 HB2 GLN 15 1HB GLN 15 103.364 16.635 -5.187 88 HB3 GLN 15 2HB GLN 15 101.793 16.820 -5.965 89 HG2 GLN 15 1HG GLN 15 101.120 14.607 -5.007 90 HG3 GLN 15 2HG GLN 15 102.640 14.562 -4.136 91 HE21 GLN 15 1HE2 GLN 15 101.776 17.824 -4.017 92 HE22 GLN 15 2HE2 GLN 15 100.884 17.788 -2.576 93 H GLY 16 H GLY 16 101.747 16.545 -8.596 94 HA2 GLY 16 1HA GLY 16 103.581 16.564 -10.653 95 HA3 GLY 16 2HA GLY 16 102.319 17.772 -10.458 96 H GLN 17 H GLN 17 104.927 18.148 -11.550 97 HA GLN 17 HA GLN 17 106.748 19.507 -11.504 98 HB2 GLN 17 1HB GLN 17 105.245 20.891 -9.271 99 HB3 GLN 17 2HB GLN 17 106.672 21.523 -10.087 100 HG2 GLN 17 1HG GLN 17 105.499 21.522 -12.227 101 HG3 GLN 17 2HG GLN 17 104.083 20.789 -11.478 102 HE21 GLN 17 1HE2 GLN 17 103.933 23.316 -12.824 103 HE22 GLN 17 2HE2 GLN 17 103.599 24.514 -11.666 104 H MET 18 H MET 18 106.722 17.055 -9.894 105 HA MET 18 HA MET 18 109.200 17.636 -8.473 106 HB2 MET 18 1HB MET 18 106.910 16.204 -7.098 107 HB3 MET 18 2HB MET 18 108.538 16.401 -6.460 108 HG2 MET 18 1HG MET 18 108.246 18.874 -6.551 109 HG3 MET 18 2HG MET 18 106.580 18.631 -7.078 110 HE1 MET 18 3HE MET 18 106.130 19.862 -3.452 111 HE2 MET 18 1HE MET 18 105.523 19.963 -5.110 112 HE3 MET 18 2HE MET 18 107.196 20.391 -4.752 113 H ASN 19 H ASN 19 110.223 15.498 -7.749 114 HA ASN 19 HA ASN 19 109.663 13.424 -9.789 115 HB2 ASN 19 1HB ASN 19 112.213 14.092 -8.304 116 HB3 ASN 19 2HB ASN 19 112.019 12.713 -9.385 117 HD21 ASN 19 1HD2 ASN 19 110.520 13.867 -11.481 118 HD22 ASN 19 2HD2 ASN 19 111.439 15.086 -12.219 119 H LYS 20 H LYS 20 109.752 11.224 -9.175 120 HA LYS 20 HA LYS 20 108.564 10.613 -6.673 121 HB2 LYS 20 1HB LYS 20 109.922 8.818 -8.698 122 HB3 LYS 20 2HB LYS 20 108.958 8.249 -7.336 123 HG2 LYS 20 1HG LYS 20 107.021 9.560 -8.203 124 HG3 LYS 20 2HG LYS 20 107.988 9.999 -9.612 125 HD2 LYS 20 1HD LYS 20 108.285 7.572 -10.117 126 HD3 LYS 20 2HD LYS 20 107.197 7.195 -8.780 127 HE2 LYS 20 1HE LYS 20 105.737 7.204 -10.610 128 HE3 LYS 20 2HE LYS 20 105.561 8.843 -9.985 129 HZ1 LYS 20 3HZ LYS 20 105.903 8.721 -12.420 130 HZ2 LYS 20 1HZ LYS 20 107.451 8.083 -12.142 131 HZ3 LYS 20 2HZ LYS 20 107.074 9.653 -11.617 132 H MET 21 H MET 21 109.528 8.980 -5.115 133 HA MET 21 HA MET 21 112.391 9.661 -4.638 134 HB2 MET 21 1HB MET 21 110.155 9.341 -2.626 135 HB3 MET 21 2HB MET 21 111.859 9.517 -2.210 136 HG2 MET 21 1HG MET 21 111.903 11.685 -3.436 137 HG3 MET 21 2HG MET 21 110.174 11.521 -3.737 138 HE1 MET 21 3HE MET 21 110.475 14.354 -1.107 139 HE2 MET 21 1HE MET 21 109.470 13.815 -2.458 140 HE3 MET 21 2HE MET 21 111.215 13.959 -2.657 141 H GLY 22 H GLY 22 113.706 8.038 -3.693 142 HA2 GLY 22 1HA GLY 22 112.569 5.300 -3.919 143 HA3 GLY 22 2HA GLY 22 114.184 5.720 -4.488 144 H GLY 23 H GLY 23 112.983 3.929 -2.257 145 HA2 GLY 23 1HA GLY 23 114.868 4.808 -0.152 146 HA3 GLY 23 2HA GLY 23 113.236 4.287 0.252 147 H PHE 24 H PHE 24 115.989 3.197 0.892 148 HA PHE 24 HA PHE 24 115.640 0.455 -0.174 149 HB2 PHE 24 1HB PHE 24 118.026 1.766 1.132 150 HB3 PHE 24 2HB PHE 24 117.955 0.086 0.641 151 HD1 PHE 24 HD1 PHE 24 117.899 -0.513 -1.766 152 HD2 PHE 24 HD2 PHE 24 118.344 3.551 -0.446 153 HE1 PHE 24 HE1 PHE 24 118.674 0.139 -4.031 154 HE2 PHE 24 HE2 PHE 24 119.119 4.201 -2.711 155 HZ PHE 24 HZ PHE 24 119.285 2.497 -4.501 156 H ASN 25 H ASN 25 115.294 -1.240 1.257 157 HA ASN 25 HA ASN 25 114.797 -0.438 4.071 158 HB2 ASN 25 1HB ASN 25 112.738 -0.571 2.573 159 HB3 ASN 25 2HB ASN 25 113.036 -2.305 2.488 160 HD21 ASN 25 1HD2 ASN 25 111.820 -3.420 4.009 161 HD22 ASN 25 2HD2 ASN 25 111.416 -2.836 5.551 162 H LEU 26 H LEU 26 115.546 -1.773 5.577 163 HA LEU 26 HA LEU 26 116.222 -4.562 4.819 164 HB2 LEU 26 1HB LEU 26 117.640 -2.766 6.808 165 HB3 LEU 26 2HB LEU 26 118.004 -4.470 6.538 166 HG LEU 26 HG LEU 26 118.232 -3.705 4.016 167 HD11 LEU 26 1HD1 LEU 26 119.388 -1.346 4.171 168 HD12 LEU 26 2HD1 LEU 26 118.387 -1.163 5.611 169 HD13 LEU 26 3HD1 LEU 26 117.633 -1.448 4.043 170 HD21 LEU 26 3HD2 LEU 26 120.402 -2.892 5.963 171 HD22 LEU 26 1HD2 LEU 26 120.593 -3.543 4.334 172 HD23 LEU 26 2HD2 LEU 26 120.016 -4.581 5.635 173 H LYS 27 H LYS 27 115.487 -6.170 6.239 174 HA LYS 27 HA LYS 27 113.961 -5.238 8.595 175 HB2 LYS 27 1HB LYS 27 112.928 -7.160 6.502 176 HB3 LYS 27 2HB LYS 27 112.095 -6.698 7.986 177 HG2 LYS 27 1HG LYS 27 112.237 -4.296 7.198 178 HG3 LYS 27 2HG LYS 27 112.801 -4.911 5.646 179 HD2 LYS 27 1HD LYS 27 110.186 -5.702 6.962 180 HD3 LYS 27 2HD LYS 27 110.339 -4.505 5.676 181 HE2 LYS 27 1HE LYS 27 109.856 -6.390 4.420 182 HE3 LYS 27 2HE LYS 27 111.616 -6.485 4.444 183 HZ1 LYS 27 3HZ LYS 27 111.570 -8.307 5.706 184 HZ2 LYS 27 1HZ LYS 27 109.941 -8.440 5.253 185 HZ3 LYS 27 2HZ LYS 27 110.354 -7.701 6.725 186 H TYR 28 H TYR 28 113.962 -6.561 10.316 187 HA TYR 28 HA TYR 28 115.223 -9.230 10.042 188 HB2 TYR 28 1HB TYR 28 115.258 -7.372 12.426 189 HB3 TYR 28 2HB TYR 28 115.952 -8.982 12.377 190 HD1 TYR 28 HD2 TYR 28 118.028 -9.421 11.155 191 HD2 TYR 28 HD1 TYR 28 116.305 -5.487 11.291 192 HE1 TYR 28 HE2 TYR 28 120.154 -8.460 10.317 193 HE2 TYR 28 HE1 TYR 28 118.433 -4.528 10.454 194 HH TYR 28 HH TYR 28 120.894 -6.416 9.106 195 H ARG 29 H ARG 29 114.064 -10.936 10.814 196 HA ARG 29 HA ARG 29 111.593 -10.375 12.329 197 HB2 ARG 29 1HB ARG 29 111.051 -10.563 9.912 198 HB3 ARG 29 2HB ARG 29 111.746 -12.183 9.907 199 HG2 ARG 29 1HG ARG 29 110.124 -12.838 11.691 200 HG3 ARG 29 2HG ARG 29 109.374 -11.249 11.550 201 HD2 ARG 29 1HD ARG 29 109.619 -13.285 9.317 202 HD3 ARG 29 2HD ARG 29 108.156 -12.932 10.223 203 HE ARG 29 HE ARG 29 107.970 -10.884 9.090 204 HH11 ARG 29 1HH1 ARG 29 110.952 -12.495 8.155 205 HH12 ARG 29 2HH1 ARG 29 111.165 -11.493 6.763 206 HH21 ARG 29 1HH2 ARG 29 108.310 -9.628 7.285 207 HH22 ARG 29 2HH2 ARG 29 109.693 -9.892 6.277 208 H TYR 30 H TYR 30 110.994 -11.924 13.785 209 HA TYR 30 HA TYR 30 112.798 -14.248 14.083 210 HB2 TYR 30 1HB TYR 30 110.914 -12.964 16.068 211 HB3 TYR 30 2HB TYR 30 111.933 -14.354 16.388 212 HD1 TYR 30 HD1 TYR 30 114.430 -14.087 16.410 213 HD2 TYR 30 HD2 TYR 30 111.757 -10.735 16.140 214 HE1 TYR 30 HE1 TYR 30 116.270 -12.566 17.081 215 HE2 TYR 30 HE2 TYR 30 113.597 -9.212 16.812 216 HH TYR 30 HH TYR 30 115.792 -9.461 18.142 217 H GLU 31 H GLU 31 111.927 -16.329 14.191 218 HA GLU 31 HA GLU 31 109.255 -16.550 13.010 219 HB2 GLU 31 1HB GLU 31 111.377 -18.653 13.511 220 HB3 GLU 31 2HB GLU 31 109.858 -18.916 12.652 221 HG2 GLU 31 1HG GLU 31 112.004 -16.938 11.835 222 HG3 GLU 31 2HG GLU 31 111.744 -18.511 11.092 223 H GLU 32 H GLU 32 107.528 -17.102 14.118 224 HA GLU 32 HA GLU 32 107.843 -18.127 16.870 225 HB2 GLU 32 1HB GLU 32 106.078 -15.840 15.977 226 HB3 GLU 32 2HB GLU 32 106.097 -16.545 17.594 227 HG2 GLU 32 1HG GLU 32 108.480 -15.276 16.219 228 HG3 GLU 32 2HG GLU 32 107.503 -14.504 17.460 229 H ASP 33 H ASP 33 106.044 -19.206 17.733 230 HA ASP 33 HA ASP 33 104.683 -20.856 15.824 231 HB2 ASP 33 1HB ASP 33 104.423 -20.652 18.832 232 HB3 ASP 33 2HB ASP 33 103.676 -21.900 17.838 233 H ASN 34 H ASN 34 102.228 -21.312 16.542 234 HA ASN 34 HA ASN 34 100.740 -19.203 15.482 235 HB2 ASN 34 1HB ASN 34 98.773 -20.480 16.125 236 HB3 ASN 34 2HB ASN 34 100.011 -21.551 15.476 237 HD21 ASN 34 1HD2 ASN 34 97.903 -22.439 17.267 238 HD22 ASN 34 2HD2 ASN 34 98.644 -22.958 18.704 239 H SER 35 H SER 35 101.652 -19.787 18.845 240 HA SER 35 HA SER 35 99.501 -18.008 19.754 241 HB2 SER 35 1HB SER 35 100.533 -18.780 22.064 242 HB3 SER 35 2HB SER 35 99.438 -19.802 21.145 243 HG SER 35 HG SER 35 101.230 -21.009 21.686 244 HA PRO 36 HA PRO 36 102.926 -15.138 20.713 245 HB2 PRO 36 1HB PRO 36 105.576 -15.837 20.096 246 HB3 PRO 36 2HB PRO 36 104.808 -15.968 21.686 247 HG2 PRO 36 1HG PRO 36 105.707 -18.072 20.056 248 HG3 PRO 36 2HG PRO 36 104.761 -18.195 21.547 249 HD2 PRO 36 1HD PRO 36 103.832 -18.310 18.721 250 HD3 PRO 36 2HD PRO 36 103.170 -19.128 20.155 251 H LEU 37 H LEU 37 103.216 -13.385 19.422 252 HA LEU 37 HA LEU 37 103.037 -13.734 16.565 253 HB2 LEU 37 1HB LEU 37 103.329 -11.196 18.190 254 HB3 LEU 37 2HB LEU 37 102.860 -11.298 16.495 255 HG LEU 37 HG LEU 37 101.319 -12.549 18.791 256 HD11 LEU 37 1HD1 LEU 37 101.279 -10.048 18.769 257 HD12 LEU 37 2HD1 LEU 37 99.700 -10.759 18.438 258 HD13 LEU 37 3HD1 LEU 37 100.668 -10.104 17.116 259 HD21 LEU 37 3HD2 LEU 37 100.823 -13.812 16.860 260 HD22 LEU 37 1HD2 LEU 37 100.932 -12.405 15.800 261 HD23 LEU 37 2HD2 LEU 37 99.549 -12.592 16.879 262 H GLY 38 H GLY 38 104.468 -12.751 15.017 263 HA2 GLY 38 1HA GLY 38 107.277 -13.105 15.781 264 HA3 GLY 38 2HA GLY 38 106.648 -12.975 14.139 265 H VAL 39 H VAL 39 108.835 -11.441 15.629 266 HA VAL 39 HA VAL 39 107.625 -8.738 15.672 267 HB VAL 39 HB VAL 39 110.280 -9.658 16.808 268 HG11 VAL 39 1HG1 VAL 39 108.724 -7.063 16.966 269 HG12 VAL 39 2HG1 VAL 39 110.342 -7.303 16.306 270 HG13 VAL 39 3HG1 VAL 39 110.066 -7.453 18.041 271 HG21 VAL 39 3HG2 VAL 39 109.082 -9.325 19.008 272 HG22 VAL 39 1HG2 VAL 39 108.487 -10.692 18.066 273 HG23 VAL 39 2HG2 VAL 39 107.577 -9.181 18.101 274 H ILE 40 H ILE 40 108.050 -7.383 14.051 275 HA ILE 40 HA ILE 40 110.423 -7.913 12.350 276 HB ILE 40 HB ILE 40 107.794 -6.636 11.543 277 HG12 ILE 40 1HG1 ILE 40 108.910 -9.352 10.788 278 HG13 ILE 40 2HG1 ILE 40 107.671 -9.110 12.020 279 HG21 ILE 40 1HG2 ILE 40 108.690 -6.724 9.288 280 HG22 ILE 40 2HG2 ILE 40 110.135 -7.563 9.852 281 HG23 ILE 40 3HG2 ILE 40 109.855 -5.883 10.314 282 HD11 ILE 40 3HD1 ILE 40 106.211 -8.039 10.339 283 HD12 ILE 40 1HD1 ILE 40 106.645 -9.678 9.853 284 HD13 ILE 40 2HD1 ILE 40 107.447 -8.296 9.107 285 H GLY 41 H GLY 41 111.867 -6.325 12.222 286 HA2 GLY 41 1HA GLY 41 111.036 -3.561 12.916 287 HA3 GLY 41 2HA GLY 41 112.595 -4.229 13.407 288 H SER 42 H SER 42 111.583 -2.024 11.402 289 HA SER 42 HA SER 42 113.283 -2.899 9.138 290 HB2 SER 42 1HB SER 42 110.845 -3.215 8.633 291 HB3 SER 42 2HB SER 42 110.633 -1.482 8.852 292 HG SER 42 HG SER 42 111.262 -1.335 6.857 293 H PHE 43 H PHE 43 114.548 -1.364 8.243 294 HA PHE 43 HA PHE 43 114.222 1.432 9.188 295 HB2 PHE 43 1HB PHE 43 116.777 -0.051 8.539 296 HB3 PHE 43 2HB PHE 43 116.670 1.653 8.942 297 HD1 PHE 43 HD1 PHE 43 116.493 -1.789 10.223 298 HD2 PHE 43 HD2 PHE 43 116.228 2.377 11.237 299 HE1 PHE 43 HE1 PHE 43 116.692 -2.361 12.627 300 HE2 PHE 43 HE2 PHE 43 116.428 1.803 13.643 301 HZ PHE 43 HZ PHE 43 116.661 -0.565 14.337 302 H THR 44 H THR 44 114.054 2.943 7.609 303 HA THR 44 HA THR 44 114.754 2.146 4.837 304 HB THR 44 HB THR 44 112.330 3.769 5.634 305 HG1 THR 44 HG1 THR 44 112.671 1.043 4.976 306 HG21 THR 44 3HG2 THR 44 113.214 4.268 3.402 307 HG22 THR 44 1HG2 THR 44 111.698 3.377 3.268 308 HG23 THR 44 2HG2 THR 44 113.233 2.551 3.011 309 H TYR 45 H TYR 45 115.942 3.596 3.740 310 HA TYR 45 HA TYR 45 115.913 6.416 4.662 311 HB2 TYR 45 1HB TYR 45 118.247 6.652 4.231 312 HB3 TYR 45 2HB TYR 45 118.026 5.297 5.319 313 HD1 TYR 45 HD1 TYR 45 118.841 6.293 1.846 314 HD2 TYR 45 HD2 TYR 45 118.677 3.075 4.685 315 HE1 TYR 45 HE1 TYR 45 120.186 4.876 0.318 316 HE2 TYR 45 HE2 TYR 45 120.018 1.656 3.156 317 HH TYR 45 HH TYR 45 121.851 2.429 1.072 318 H THR 46 H THR 46 115.782 7.957 3.070 319 HA THR 46 HA THR 46 115.108 6.869 0.405 320 HB THR 46 HB THR 46 113.655 8.813 0.151 321 HG1 THR 46 HG1 THR 46 114.639 10.366 1.316 322 HG21 THR 46 3HG2 THR 46 112.736 6.805 1.241 323 HG22 THR 46 1HG2 THR 46 112.012 8.269 1.910 324 HG23 THR 46 2HG2 THR 46 113.264 7.412 2.810 325 H GLU 47 H GLU 47 115.680 8.029 -1.457 326 HA GLU 47 HA GLU 47 117.729 10.113 -1.158 327 HB2 GLU 47 1HB GLU 47 118.015 7.629 -2.870 328 HB3 GLU 47 2HB GLU 47 119.130 8.996 -2.859 329 HG2 GLU 47 1HG GLU 47 118.462 7.272 -0.459 330 HG3 GLU 47 2HG GLU 47 119.928 7.141 -1.419 331 H LYS 48 H LYS 48 118.057 11.339 -3.121 332 HA LYS 48 HA LYS 48 115.646 11.383 -4.822 333 HB2 LYS 48 1HB LYS 48 116.882 13.761 -5.429 334 HB3 LYS 48 2HB LYS 48 115.580 13.557 -4.280 335 HG2 LYS 48 1HG LYS 48 117.229 14.859 -3.174 336 HG3 LYS 48 2HG LYS 48 117.385 13.241 -2.494 337 HD2 LYS 48 1HD LYS 48 119.244 12.770 -4.058 338 HD3 LYS 48 2HD LYS 48 119.101 14.403 -4.710 339 HE2 LYS 48 1HE LYS 48 119.913 15.400 -2.766 340 HE3 LYS 48 2HE LYS 48 119.453 14.033 -1.749 341 HZ1 LYS 48 3HZ LYS 48 121.850 14.449 -3.318 342 HZ2 LYS 48 1HZ LYS 48 121.195 12.888 -3.421 343 HZ3 LYS 48 2HZ LYS 48 121.616 13.534 -1.906 344 H SER 49 H SER 49 116.047 12.160 -7.087 345 HA SER 49 HA SER 49 117.670 10.296 -8.410 346 HB2 SER 49 1HB SER 49 117.081 11.475 -10.441 347 HB3 SER 49 2HB SER 49 115.678 11.416 -9.381 348 HG SER 49 HG SER 49 116.935 13.543 -10.383 349 H ARG 50 H ARG 50 118.473 13.462 -7.179 350 HA ARG 50 HA ARG 50 120.391 14.713 -7.253 351 HB2 ARG 50 1HB ARG 50 121.593 12.012 -7.910 352 HB3 ARG 50 2HB ARG 50 122.525 13.450 -7.500 353 HG2 ARG 50 1HG ARG 50 121.285 13.588 -5.336 354 HG3 ARG 50 2HG ARG 50 120.483 12.068 -5.738 355 HD2 ARG 50 1HD ARG 50 123.469 12.479 -5.419 356 HD3 ARG 50 2HD ARG 50 122.411 11.637 -4.289 357 HE ARG 50 HE ARG 50 123.392 10.637 -6.842 358 HH11 ARG 50 1HH1 ARG 50 121.075 10.191 -4.244 359 HH12 ARG 50 2HH1 ARG 50 120.802 8.527 -4.638 360 HH21 ARG 50 1HH2 ARG 50 123.002 8.490 -7.303 361 HH22 ARG 50 2HH2 ARG 50 121.878 7.578 -6.348 362 H THR 51 H THR 51 118.788 14.712 -9.574 363 HA THR 51 HA THR 51 120.836 15.165 -11.668 364 HB THR 51 HB THR 51 117.959 14.323 -12.102 365 HG1 THR 51 HG1 THR 51 118.765 12.445 -11.641 366 HG21 THR 51 3HG2 THR 51 120.321 14.716 -13.955 367 HG22 THR 51 1HG2 THR 51 118.820 15.640 -13.944 368 HG23 THR 51 2HG2 THR 51 118.808 13.947 -14.434 369 H ALA 52 H ALA 52 120.630 17.050 -12.882 370 HA ALA 52 HA ALA 52 119.596 19.302 -11.573 371 HB1 ALA 52 1HB ALA 52 120.150 19.011 -14.535 372 HB2 ALA 52 2HB ALA 52 121.374 19.358 -13.316 373 HB3 ALA 52 3HB ALA 52 120.082 20.517 -13.623 374 H SER 53 H SER 53 117.596 20.054 -11.370 375 HA SER 53 HA SER 53 115.641 19.733 -13.498 376 HB2 SER 53 1HB SER 53 115.455 17.627 -12.159 377 HB3 SER 53 2HB SER 53 115.081 18.608 -10.747 378 HG SER 53 HG SER 53 113.124 18.225 -11.560 379 H SER 54 H SER 54 113.837 21.120 -13.265 380 HA SER 54 HA SER 54 114.360 23.586 -12.005 381 HB2 SER 54 1HB SER 54 112.127 24.215 -12.697 382 HB3 SER 54 2HB SER 54 112.874 23.265 -13.978 383 HG SER 54 HG SER 54 111.107 22.300 -11.966 384 H GLY 55 H GLY 55 112.605 20.737 -10.895 385 HA2 GLY 55 1HA GLY 55 111.752 22.208 -8.475 386 HA3 GLY 55 2HA GLY 55 111.012 20.730 -9.078 387 H ASP 56 H ASP 56 113.232 19.135 -9.527 388 HA ASP 56 HA ASP 56 113.895 18.427 -6.788 389 HB2 ASP 56 1HB ASP 56 113.219 16.703 -8.432 390 HB3 ASP 56 2HB ASP 56 114.657 17.070 -9.384 391 H TYR 57 H TYR 57 115.556 19.403 -5.828 392 HA TYR 57 HA TYR 57 118.169 19.332 -7.088 393 HB2 TYR 57 1HB TYR 57 117.201 21.449 -7.918 394 HB3 TYR 57 2HB TYR 57 116.947 21.968 -6.264 395 HD1 TYR 57 HD1 TYR 57 119.501 21.181 -8.827 396 HD2 TYR 57 HD2 TYR 57 118.748 22.850 -4.942 397 HE1 TYR 57 HE1 TYR 57 121.794 22.127 -8.789 398 HE2 TYR 57 HE2 TYR 57 121.040 23.796 -4.904 399 HH TYR 57 HH TYR 57 123.071 23.728 -5.909 400 H ASN 58 H ASN 58 118.972 18.118 -5.424 401 HA ASN 58 HA ASN 58 119.848 17.657 -3.354 402 HB2 ASN 58 1HB ASN 58 119.756 20.669 -3.073 403 HB3 ASN 58 2HB ASN 58 120.728 19.568 -2.100 404 HD21 ASN 58 1HD2 ASN 58 121.714 17.812 -4.076 405 HD22 ASN 58 2HD2 ASN 58 122.692 18.682 -5.157 406 H LYS 59 H LYS 59 117.181 17.206 -3.437 407 HA LYS 59 HA LYS 59 115.677 18.598 -1.458 408 HB2 LYS 59 1HB LYS 59 115.298 15.853 -2.675 409 HB3 LYS 59 2HB LYS 59 114.126 16.650 -1.626 410 HG2 LYS 59 1HG LYS 59 113.924 18.506 -3.202 411 HG3 LYS 59 2HG LYS 59 115.163 17.792 -4.236 412 HD2 LYS 59 1HD LYS 59 113.034 17.196 -5.185 413 HD3 LYS 59 2HD LYS 59 113.687 15.744 -4.426 414 HE2 LYS 59 1HE LYS 59 112.214 15.873 -2.605 415 HE3 LYS 59 2HE LYS 59 111.882 17.584 -2.874 416 HZ1 LYS 59 3HZ LYS 59 110.965 15.289 -4.509 417 HZ2 LYS 59 1HZ LYS 59 110.831 16.903 -5.015 418 HZ3 LYS 59 2HZ LYS 59 110.010 16.380 -3.624 419 H ASN 60 H ASN 60 114.824 17.584 0.524 420 HA ASN 60 HA ASN 60 116.954 16.798 2.230 421 HB2 ASN 60 1HB ASN 60 115.231 16.613 3.953 422 HB3 ASN 60 2HB ASN 60 114.999 18.082 3.009 423 HD21 ASN 60 1HD2 ASN 60 112.855 16.842 4.479 424 HD22 ASN 60 2HD2 ASN 60 111.714 16.272 3.356 425 H GLN 61 H GLN 61 116.575 14.844 3.765 426 HA GLN 61 HA GLN 61 115.937 12.455 2.127 427 HB2 GLN 61 1HB GLN 61 118.132 12.815 4.182 428 HB3 GLN 61 2HB GLN 61 117.715 11.285 3.408 429 HG2 GLN 61 1HG GLN 61 118.233 12.218 1.210 430 HG3 GLN 61 2HG GLN 61 118.571 13.790 1.931 431 HE21 GLN 61 1HE2 GLN 61 120.549 12.380 0.411 432 HE22 GLN 61 2HE2 GLN 61 121.799 11.922 1.463 433 H TYR 62 H TYR 62 115.030 10.671 3.268 434 HA TYR 62 HA TYR 62 113.793 11.426 5.859 435 HB2 TYR 62 1HB TYR 62 112.626 9.753 3.633 436 HB3 TYR 62 2HB TYR 62 111.864 10.065 5.180 437 HD1 TYR 62 HD1 TYR 62 111.171 12.422 5.762 438 HD2 TYR 62 HD2 TYR 62 112.511 11.302 1.837 439 HE1 TYR 62 HE1 TYR 62 110.157 14.483 4.827 440 HE2 TYR 62 HE2 TYR 62 111.497 13.363 0.904 441 HH TYR 62 HH TYR 62 109.549 15.526 2.916 442 H TYR 63 H TYR 63 113.958 10.030 7.494 443 HA TYR 63 HA TYR 63 114.848 7.265 6.938 444 HB2 TYR 63 1HB TYR 63 116.749 8.644 7.759 445 HB3 TYR 63 2HB TYR 63 115.820 9.028 9.194 446 HD1 TYR 63 HD1 TYR 63 115.446 7.352 10.939 447 HD2 TYR 63 HD2 TYR 63 117.714 6.436 7.409 448 HE1 TYR 63 HE1 TYR 63 116.312 5.301 12.028 449 HE2 TYR 63 HE2 TYR 63 118.583 4.385 8.499 450 HH TYR 63 HH TYR 63 118.343 3.816 11.797 451 H GLY 64 H GLY 64 113.656 5.743 7.996 452 HA2 GLY 64 1HA GLY 64 111.923 6.635 10.221 453 HA3 GLY 64 2HA GLY 64 111.211 5.824 8.832 454 H ILE 65 H ILE 65 111.302 5.062 11.664 455 HA ILE 65 HA ILE 65 112.473 2.361 11.302 456 HB ILE 65 HB ILE 65 113.786 3.630 12.956 457 HG12 ILE 65 1HG1 ILE 65 112.018 1.656 14.418 458 HG13 ILE 65 2HG1 ILE 65 113.243 1.153 13.251 459 HG21 ILE 65 1HG2 ILE 65 111.849 5.146 13.584 460 HG22 ILE 65 2HG2 ILE 65 112.806 4.550 14.939 461 HG23 ILE 65 3HG2 ILE 65 111.241 3.824 14.581 462 HD11 ILE 65 3HD1 ILE 65 113.661 2.623 15.858 463 HD12 ILE 65 1HD1 ILE 65 114.907 2.536 14.613 464 HD13 ILE 65 2HD1 ILE 65 114.320 1.060 15.377 465 H THR 66 H THR 66 110.982 0.779 11.419 466 HA THR 66 HA THR 66 108.349 1.432 12.628 467 HB THR 66 HB THR 66 107.234 0.254 10.883 468 HG1 THR 66 HG1 THR 66 108.753 -1.401 10.625 469 HG21 THR 66 3HG2 THR 66 108.874 2.518 10.259 470 HG22 THR 66 1HG2 THR 66 107.358 2.019 9.512 471 HG23 THR 66 2HG2 THR 66 108.889 1.428 8.875 472 H ALA 67 H ALA 67 107.194 -0.333 13.539 473 HA ALA 67 HA ALA 67 108.569 -2.906 13.748 474 HB1 ALA 67 1HB ALA 67 108.056 -2.899 16.250 475 HB2 ALA 67 2HB ALA 67 107.831 -1.157 16.097 476 HB3 ALA 67 3HB ALA 67 109.398 -1.879 15.733 477 H GLY 68 H GLY 68 107.107 -4.648 14.031 478 HA2 GLY 68 1HA GLY 68 104.321 -4.109 14.621 479 HA3 GLY 68 2HA GLY 68 104.626 -4.455 12.928 480 HA PRO 69 HA PRO 69 104.547 -8.581 15.039 481 HB2 PRO 69 1HB PRO 69 102.013 -9.133 15.756 482 HB3 PRO 69 2HB PRO 69 103.091 -8.203 16.817 483 HG2 PRO 69 1HG PRO 69 100.817 -7.292 15.188 484 HG3 PRO 69 2HG PRO 69 101.489 -6.614 16.678 485 HD2 PRO 69 1HD PRO 69 101.967 -5.722 14.003 486 HD3 PRO 69 2HD PRO 69 102.704 -5.108 15.497 487 H ALA 70 H ALA 70 104.718 -9.957 13.393 488 HA ALA 70 HA ALA 70 102.849 -10.077 11.184 489 HB1 ALA 70 1HB ALA 70 105.440 -10.648 11.273 490 HB2 ALA 70 2HB ALA 70 104.353 -11.511 10.187 491 HB3 ALA 70 3HB ALA 70 104.834 -12.243 11.717 492 H TYR 71 H TYR 71 101.310 -11.681 10.824 493 HA TYR 71 HA TYR 71 100.799 -13.548 13.063 494 HB2 TYR 71 1HB TYR 71 98.901 -12.486 10.961 495 HB3 TYR 71 2HB TYR 71 98.487 -13.637 12.215 496 HD1 TYR 71 HD2 TYR 71 98.237 -12.925 14.544 497 HD2 TYR 71 HD1 TYR 71 99.252 -10.125 11.450 498 HE1 TYR 71 HE2 TYR 71 97.685 -11.045 16.065 499 HE2 TYR 71 HE1 TYR 71 98.700 -8.245 12.970 500 HH TYR 71 HH TYR 71 96.935 -8.578 15.738 501 H ARG 72 H ARG 72 100.759 -15.722 12.596 502 HA ARG 72 HA ARG 72 102.007 -16.348 10.015 503 HB2 ARG 72 1HB ARG 72 103.136 -16.991 12.141 504 HB3 ARG 72 2HB ARG 72 101.785 -18.065 12.495 505 HG2 ARG 72 1HG ARG 72 102.212 -19.271 10.366 506 HG3 ARG 72 2HG ARG 72 103.606 -18.230 10.075 507 HD2 ARG 72 1HD ARG 72 104.584 -19.002 12.237 508 HD3 ARG 72 2HD ARG 72 103.234 -20.119 12.413 509 HE ARG 72 HE ARG 72 104.303 -21.517 10.931 510 HH11 ARG 72 1HH1 ARG 72 105.542 -18.278 10.397 511 HH12 ARG 72 2HH1 ARG 72 106.699 -18.806 9.220 512 HH21 ARG 72 1HH2 ARG 72 105.811 -22.139 9.411 513 HH22 ARG 72 2HH2 ARG 72 106.848 -20.965 8.671 514 H ILE 73 H ILE 73 100.586 -16.799 8.509 515 HA ILE 73 HA ILE 73 98.389 -18.673 9.019 516 HB ILE 73 HB ILE 73 99.123 -17.147 6.502 517 HG12 ILE 73 1HG1 ILE 73 96.856 -16.653 8.452 518 HG13 ILE 73 2HG1 ILE 73 98.384 -15.781 8.517 519 HG21 ILE 73 1HG2 ILE 73 96.818 -17.791 5.805 520 HG22 ILE 73 2HG2 ILE 73 96.678 -18.778 7.259 521 HG23 ILE 73 3HG2 ILE 73 97.864 -19.195 6.023 522 HD11 ILE 73 3HD1 ILE 73 96.285 -14.859 7.135 523 HD12 ILE 73 1HD1 ILE 73 96.989 -15.873 5.876 524 HD13 ILE 73 2HD1 ILE 73 97.942 -14.582 6.608 525 H ASN 74 H ASN 74 98.482 -20.785 8.378 526 HA ASN 74 HA ASN 74 101.013 -21.932 7.902 527 HB2 ASN 74 1HB ASN 74 98.967 -23.060 8.905 528 HB3 ASN 74 2HB ASN 74 98.368 -23.235 7.257 529 HD21 ASN 74 1HD2 ASN 74 98.918 -25.204 6.327 530 HD22 ASN 74 2HD2 ASN 74 100.299 -26.113 6.713 531 H ASP 75 H ASP 75 98.363 -21.100 5.670 532 HA ASP 75 HA ASP 75 99.684 -21.998 3.311 533 HB2 ASP 75 1HB ASP 75 97.643 -19.793 3.709 534 HB3 ASP 75 2HB ASP 75 98.144 -20.432 2.147 535 H TRP 76 H TRP 76 100.303 -20.239 1.588 536 HA TRP 76 HA TRP 76 102.403 -18.612 2.789 537 HB2 TRP 76 1HB TRP 76 101.675 -18.972 -0.119 538 HB3 TRP 76 2HB TRP 76 103.149 -18.269 0.512 539 HD1 TRP 76 HD1 TRP 76 101.886 -21.368 -0.854 540 HE1 TRP 76 HE1 TRP 76 103.410 -23.360 -0.257 541 HE3 TRP 76 HE3 TRP 76 104.699 -19.248 2.843 542 HZ2 TRP 76 HZ2 TRP 76 105.543 -23.973 1.554 543 HZ3 TRP 76 HZ3 TRP 76 106.463 -20.555 3.986 544 HH2 TRP 76 HH2 TRP 76 106.890 -22.910 3.349 545 H ALA 77 H ALA 77 100.097 -17.632 3.656 546 HA ALA 77 HA ALA 77 99.473 -15.277 1.984 547 HB1 ALA 77 1HB ALA 77 97.637 -16.964 3.688 548 HB2 ALA 77 2HB ALA 77 97.574 -16.743 1.940 549 HB3 ALA 77 3HB ALA 77 97.185 -15.399 3.013 550 H SER 78 H SER 78 101.496 -15.372 4.211 551 HA SER 78 HA SER 78 100.125 -14.856 6.689 552 HB2 SER 78 1HB SER 78 102.319 -15.998 6.610 553 HB3 SER 78 2HB SER 78 103.051 -14.524 5.987 554 HG SER 78 HG SER 78 102.569 -15.201 8.508 555 H ILE 79 H ILE 79 100.250 -12.879 7.939 556 HA ILE 79 HA ILE 79 100.387 -10.487 6.187 557 HB ILE 79 HB ILE 79 98.102 -11.117 8.077 558 HG12 ILE 79 1HG1 ILE 79 98.117 -11.047 5.045 559 HG13 ILE 79 2HG1 ILE 79 98.136 -12.528 6.001 560 HG21 ILE 79 1HG2 ILE 79 98.458 -8.894 6.044 561 HG22 ILE 79 2HG2 ILE 79 98.677 -8.701 7.782 562 HG23 ILE 79 3HG2 ILE 79 97.089 -9.107 7.135 563 HD11 ILE 79 3HD1 ILE 79 95.962 -10.425 5.913 564 HD12 ILE 79 1HD1 ILE 79 96.018 -11.701 7.128 565 HD13 ILE 79 2HD1 ILE 79 95.843 -12.115 5.423 566 H TYR 80 H TYR 80 101.383 -8.808 7.132 567 HA TYR 80 HA TYR 80 101.517 -8.738 10.092 568 HB2 TYR 80 1HB TYR 80 103.804 -8.069 10.031 569 HB3 TYR 80 2HB TYR 80 103.648 -9.553 9.114 570 HD1 TYR 80 HD1 TYR 80 103.797 -9.504 6.626 571 HD2 TYR 80 HD2 TYR 80 104.499 -6.009 9.022 572 HE1 TYR 80 HE1 TYR 80 104.907 -8.407 4.699 573 HE2 TYR 80 HE2 TYR 80 105.608 -4.912 7.094 574 HH TYR 80 HH TYR 80 106.611 -5.375 5.045 575 H GLY 81 H GLY 81 101.441 -6.743 11.042 576 HA2 GLY 81 1HA GLY 81 100.959 -4.426 9.237 577 HA3 GLY 81 2HA GLY 81 100.043 -4.686 10.722 578 H VAL 82 H VAL 82 102.001 -2.494 9.804 579 HA VAL 82 HA VAL 82 103.788 -2.604 12.140 580 HB VAL 82 HB VAL 82 104.901 -3.649 10.166 581 HG11 VAL 82 1HG1 VAL 82 105.049 -0.898 8.957 582 HG12 VAL 82 2HG1 VAL 82 103.752 -2.015 8.534 583 HG13 VAL 82 3HG1 VAL 82 105.432 -2.451 8.216 584 HG21 VAL 82 3HG2 VAL 82 105.940 -1.240 11.585 585 HG22 VAL 82 1HG2 VAL 82 106.906 -1.893 10.263 586 HG23 VAL 82 2HG2 VAL 82 106.495 -2.911 11.641 587 H VAL 83 H VAL 83 104.395 -0.610 12.952 588 HA VAL 83 HA VAL 83 103.500 1.791 11.484 589 HB VAL 83 HB VAL 83 101.826 1.292 13.226 590 HG11 VAL 83 1HG1 VAL 83 104.173 1.509 15.133 591 HG12 VAL 83 2HG1 VAL 83 103.284 0.031 14.760 592 HG13 VAL 83 3HG1 VAL 83 102.480 1.355 15.604 593 HG21 VAL 83 3HG2 VAL 83 102.410 3.651 12.683 594 HG22 VAL 83 1HG2 VAL 83 103.607 3.630 13.979 595 HG23 VAL 83 2HG2 VAL 83 101.893 3.460 14.359 596 H GLY 84 H GLY 84 104.907 3.546 11.654 597 HA2 GLY 84 1HA GLY 84 107.235 3.276 13.413 598 HA3 GLY 84 2HA GLY 84 107.536 3.297 11.680 599 H VAL 85 H VAL 85 108.756 5.211 12.978 600 HA VAL 85 HA VAL 85 107.126 7.641 12.462 601 HB VAL 85 HB VAL 85 107.678 7.409 14.855 602 HG11 VAL 85 1HG1 VAL 85 109.945 7.344 15.639 603 HG12 VAL 85 2HG1 VAL 85 110.580 7.583 14.012 604 HG13 VAL 85 3HG1 VAL 85 109.786 6.065 14.434 605 HG21 VAL 85 3HG2 VAL 85 109.377 9.554 13.551 606 HG22 VAL 85 1HG2 VAL 85 108.640 9.607 15.155 607 HG23 VAL 85 2HG2 VAL 85 107.625 9.654 13.713 608 H GLY 86 H GLY 86 107.863 8.905 10.875 609 HA2 GLY 86 1HA GLY 86 110.644 8.453 9.905 610 HA3 GLY 86 2HA GLY 86 109.288 8.874 8.862 611 H TYR 87 H TYR 87 111.932 10.234 9.492 612 HA TYR 87 HA TYR 87 110.759 12.903 9.941 613 HB2 TYR 87 1HB TYR 87 112.580 13.561 11.347 614 HB3 TYR 87 2HB TYR 87 111.861 12.111 12.013 615 HD1 TYR 87 HD1 TYR 87 113.060 9.943 11.886 616 HD2 TYR 87 HD2 TYR 87 114.838 13.604 10.510 617 HE1 TYR 87 HE1 TYR 87 115.291 8.863 11.898 618 HE2 TYR 87 HE2 TYR 87 117.071 12.522 10.523 619 HH TYR 87 HH TYR 87 118.088 10.425 11.918 620 H GLY 88 H GLY 88 111.726 14.582 8.830 621 HA2 GLY 88 1HA GLY 88 113.637 13.772 6.707 622 HA3 GLY 88 2HA GLY 88 112.384 14.991 6.496 623 H LYS 89 H LYS 89 115.460 14.946 6.401 624 HA LYS 89 HA LYS 89 115.795 17.471 7.885 625 HB2 LYS 89 1HB LYS 89 117.724 15.139 7.936 626 HB3 LYS 89 2HB LYS 89 118.076 16.751 8.560 627 HG2 LYS 89 1HG LYS 89 116.271 16.577 10.179 628 HG3 LYS 89 2HG LYS 89 115.759 15.035 9.493 629 HD2 LYS 89 1HD LYS 89 117.037 14.460 11.412 630 HD3 LYS 89 2HD LYS 89 118.111 14.180 10.046 631 HE2 LYS 89 1HE LYS 89 118.757 16.743 10.535 632 HE3 LYS 89 2HE LYS 89 118.233 16.282 12.154 633 HZ1 LYS 89 3HZ LYS 89 120.462 15.729 12.129 634 HZ2 LYS 89 1HZ LYS 89 120.421 15.155 10.532 635 HZ3 LYS 89 2HZ LYS 89 119.712 14.246 11.780 636 H PHE 90 H PHE 90 117.205 18.949 6.912 637 HA PHE 90 HA PHE 90 117.878 18.323 4.117 638 HB2 PHE 90 1HB PHE 90 116.539 20.353 4.622 639 HB3 PHE 90 2HB PHE 90 117.883 20.974 5.561 640 HD1 PHE 90 HD1 PHE 90 116.719 20.088 2.160 641 HD2 PHE 90 HD2 PHE 90 119.804 21.957 4.494 642 HE1 PHE 90 HE1 PHE 90 117.681 21.077 0.098 643 HE2 PHE 90 HE2 PHE 90 120.765 22.943 2.431 644 HZ PHE 90 HZ PHE 90 119.705 22.503 0.235 645 H GLN 91 H GLN 91 119.904 17.970 3.499 646 HA GLN 91 HA GLN 91 122.121 18.891 5.234 647 HB2 GLN 91 1HB GLN 91 121.726 16.434 5.444 648 HB3 GLN 91 2HB GLN 91 122.025 16.275 3.711 649 HG2 GLN 91 1HG GLN 91 124.275 17.209 3.991 650 HG3 GLN 91 2HG GLN 91 123.985 17.435 5.714 651 HE21 GLN 91 1HE2 GLN 91 126.157 15.883 5.098 652 HE22 GLN 91 2HE2 GLN 91 125.832 14.241 5.378 653 H THR 92 H THR 92 124.007 19.538 4.180 654 HA THR 92 HA THR 92 123.658 20.138 1.312 655 HB THR 92 HB THR 92 125.627 21.352 3.263 656 HG1 THR 92 HG1 THR 92 124.115 22.727 3.763 657 HG21 THR 92 3HG2 THR 92 126.283 21.524 0.909 658 HG22 THR 92 1HG2 THR 92 125.770 23.102 1.507 659 HG23 THR 92 2HG2 THR 92 124.689 22.149 0.492 660 H THR 93 H THR 93 125.201 19.581 -0.187 661 HA THR 93 HA THR 93 127.014 17.431 0.645 662 HB THR 93 HB THR 93 126.457 18.277 -2.192 663 HG1 THR 93 HG1 THR 93 124.856 16.479 -1.949 664 HG21 THR 93 3HG2 THR 93 126.972 15.925 -2.640 665 HG22 THR 93 1HG2 THR 93 127.130 15.612 -0.912 666 HG23 THR 93 2HG2 THR 93 128.289 16.661 -1.727 667 H GLU 94 H GLU 94 129.191 17.375 -0.008 668 HA GLU 94 HA GLU 94 131.286 18.196 -0.324 669 HB2 GLU 94 1HB GLU 94 129.838 20.280 -1.971 670 HB3 GLU 94 2HB GLU 94 131.585 20.050 -1.942 671 HG2 GLU 94 1HG GLU 94 131.261 17.695 -2.674 672 HG3 GLU 94 2HG GLU 94 129.530 17.988 -2.781 673 H TYR 95 H TYR 95 129.796 21.434 -0.341 674 HA TYR 95 HA TYR 95 131.006 21.898 2.323 675 HB2 TYR 95 1HB TYR 95 131.321 24.270 1.542 676 HB3 TYR 95 2HB TYR 95 132.362 23.079 0.789 677 HD1 TYR 95 HD1 TYR 95 129.556 25.403 0.301 678 HD2 TYR 95 HD2 TYR 95 132.096 22.487 -1.571 679 HE1 TYR 95 HE1 TYR 95 128.790 26.169 -1.932 680 HE2 TYR 95 HE2 TYR 95 131.330 23.255 -3.803 681 HH TYR 95 HH TYR 95 130.191 25.867 -4.555 682 HA PRO 96 HA PRO 96 126.917 23.342 3.250 683 HB2 PRO 96 1HB PRO 96 127.281 24.416 5.680 684 HB3 PRO 96 2HB PRO 96 127.555 22.684 5.396 685 HG2 PRO 96 1HG PRO 96 129.517 24.872 5.744 686 HG3 PRO 96 2HG PRO 96 129.622 23.167 6.214 687 HD2 PRO 96 1HD PRO 96 130.758 24.342 3.899 688 HD3 PRO 96 2HD PRO 96 130.631 22.606 4.257 689 H THR 97 H THR 97 125.876 25.015 2.311 690 HA THR 97 HA THR 97 126.817 27.769 2.882 691 HB THR 97 HB THR 97 126.026 28.448 0.680 692 HG1 THR 97 HG1 THR 97 124.432 27.130 0.136 693 HG21 THR 97 3HG2 THR 97 128.346 27.276 1.105 694 HG22 THR 97 1HG2 THR 97 127.823 27.618 -0.545 695 HG23 THR 97 2HG2 THR 97 127.653 25.991 0.115 696 H TYR 98 H TYR 98 125.240 29.281 3.356 697 HA TYR 98 HA TYR 98 123.298 29.990 4.368 698 HB2 TYR 98 1HB TYR 98 122.163 28.425 2.052 699 HB3 TYR 98 2HB TYR 98 121.272 29.591 3.013 700 HD1 TYR 98 HD1 TYR 98 121.960 32.014 2.967 701 HD2 TYR 98 HD2 TYR 98 123.610 29.093 0.288 702 HE1 TYR 98 HE1 TYR 98 122.755 33.830 1.477 703 HE2 TYR 98 HE2 TYR 98 124.405 30.908 -1.204 704 HH TYR 98 HH TYR 98 124.386 34.220 -0.237 705 H LYS 99 H LYS 99 123.304 28.933 6.356 706 HA LYS 99 HA LYS 99 122.366 26.227 6.639 707 HB2 LYS 99 1HB LYS 99 124.008 27.438 8.178 708 HB3 LYS 99 2HB LYS 99 122.605 28.274 8.846 709 HG2 LYS 99 1HG LYS 99 121.585 25.921 9.152 710 HG3 LYS 99 2HG LYS 99 123.225 25.322 8.902 711 HD2 LYS 99 1HD LYS 99 122.539 27.436 10.956 712 HD3 LYS 99 2HD LYS 99 122.591 25.712 11.329 713 HE2 LYS 99 1HE LYS 99 124.968 25.833 10.205 714 HE3 LYS 99 2HE LYS 99 124.840 27.554 10.573 715 HZ1 LYS 99 3HZ LYS 99 124.011 26.344 12.858 716 HZ2 LYS 99 1HZ LYS 99 125.555 26.994 12.590 717 HZ3 LYS 99 2HZ LYS 99 125.275 25.337 12.337 718 H HIS 100 H HIS 100 120.341 25.525 6.925 719 HA HIS 100 HA HIS 100 118.281 27.000 8.199 720 HB2 HIS 100 1HB HIS 100 118.471 28.281 6.060 721 HB3 HIS 100 2HB HIS 100 118.045 26.820 5.194 722 HD1 HIS 100 HD1 HIS 100 115.579 26.189 5.094 723 HD2 HIS 100 HD2 HIS 100 116.317 29.415 7.627 724 HE1 HIS 100 HE1 HIS 100 113.318 27.143 5.712 725 H ASP 101 H ASP 101 119.298 24.428 8.462 726 HA ASP 101 HA ASP 101 117.830 22.440 7.077 727 HB2 ASP 101 1HB ASP 101 119.114 22.376 9.818 728 HB3 ASP 101 2HB ASP 101 118.511 20.962 8.957 729 H THR 102 H THR 102 115.934 21.376 7.577 730 HA THR 102 HA THR 102 114.304 22.526 9.773 731 HB THR 102 HB THR 102 112.333 22.327 8.351 732 HG1 THR 102 HG1 THR 102 114.222 21.373 6.470 733 HG21 THR 102 3HG2 THR 102 114.613 23.792 6.991 734 HG22 THR 102 1HG2 THR 102 113.574 24.440 8.260 735 HG23 THR 102 2HG2 THR 102 112.898 24.064 6.675 736 H SER 103 H SER 103 112.711 21.096 10.669 737 HA SER 103 HA SER 103 113.170 18.225 10.117 738 HB2 SER 103 1HB SER 103 112.941 19.506 12.851 739 HB3 SER 103 2HB SER 103 113.052 17.779 12.529 740 HG SER 103 HG SER 103 115.070 18.981 13.028 741 H ASP 104 H ASP 104 111.399 16.945 10.156 742 HA ASP 104 HA ASP 104 108.921 17.830 11.390 743 HB2 ASP 104 1HB ASP 104 108.906 18.820 9.071 744 HB3 ASP 104 2HB ASP 104 108.966 17.179 8.435 745 H TYR 105 H TYR 105 107.607 16.101 11.937 746 HA TYR 105 HA TYR 105 108.678 13.411 11.295 747 HB2 TYR 105 1HB TYR 105 107.236 14.303 13.793 748 HB3 TYR 105 2HB TYR 105 107.877 12.701 13.481 749 HD1 TYR 105 HD1 TYR 105 110.345 12.338 13.402 750 HD2 TYR 105 HD2 TYR 105 108.623 16.111 14.526 751 HE1 TYR 105 HE1 TYR 105 112.512 13.035 14.388 752 HE2 TYR 105 HE2 TYR 105 110.789 16.807 15.511 753 HH TYR 105 HH TYR 105 113.697 14.890 15.096 754 H GLY 106 H GLY 106 107.215 11.752 10.853 755 HA2 GLY 106 1HA GLY 106 104.348 12.406 10.866 756 HA3 GLY 106 2HA GLY 106 105.078 11.861 9.356 757 H PHE 107 H PHE 107 102.995 10.454 10.695 758 HA PHE 107 HA PHE 107 104.392 8.094 11.807 759 HB2 PHE 107 1HB PHE 107 101.477 8.886 11.894 760 HB3 PHE 107 2HB PHE 107 102.141 7.417 12.580 761 HD1 PHE 107 HD2 PHE 107 103.498 7.477 14.617 762 HD2 PHE 107 HD1 PHE 107 101.858 11.065 12.917 763 HE1 PHE 107 HE2 PHE 107 103.979 8.696 16.723 764 HE2 PHE 107 HE1 PHE 107 102.340 12.283 15.022 765 HZ PHE 107 HZ PHE 107 103.400 11.100 16.925 766 H SER 108 H SER 108 104.611 6.337 10.554 767 HA SER 108 HA SER 108 102.939 6.158 8.108 768 HB2 SER 108 1HB SER 108 104.712 4.790 7.175 769 HB3 SER 108 2HB SER 108 105.402 6.287 7.793 770 HG SER 108 HG SER 108 105.838 5.060 9.755 771 H TYR 109 H TYR 109 101.643 4.451 7.766 772 HA TYR 109 HA TYR 109 101.873 2.104 9.568 773 HB2 TYR 109 1HB TYR 109 99.323 3.329 8.497 774 HB3 TYR 109 2HB TYR 109 99.437 1.894 9.496 775 HD1 TYR 109 HD1 TYR 109 99.665 5.564 9.415 776 HD2 TYR 109 HD2 TYR 109 99.876 2.061 11.892 777 HE1 TYR 109 HE1 TYR 109 99.482 6.984 11.440 778 HE2 TYR 109 HE2 TYR 109 99.696 3.482 13.916 779 HH TYR 109 HH TYR 109 98.917 5.660 14.567 780 H GLY 110 H GLY 110 101.702 0.086 8.520 781 HA2 GLY 110 1HA GLY 110 100.811 0.024 5.741 782 HA3 GLY 110 2HA GLY 110 102.512 -0.327 6.004 783 H ALA 111 H ALA 111 100.985 -2.165 4.809 784 HA ALA 111 HA ALA 111 101.161 -4.382 6.710 785 HB1 ALA 111 1HB ALA 111 98.970 -5.284 6.070 786 HB2 ALA 111 2HB ALA 111 98.672 -3.868 5.059 787 HB3 ALA 111 3HB ALA 111 98.791 -3.695 6.810 788 H GLY 112 H GLY 112 101.538 -6.399 5.686 789 HA2 GLY 112 1HA GLY 112 101.799 -6.372 2.760 790 HA3 GLY 112 2HA GLY 112 103.255 -6.658 3.701 791 H LEU 113 H LEU 113 102.223 -8.431 1.817 792 HA LEU 113 HA LEU 113 101.215 -10.699 3.430 793 HB2 LEU 113 1HB LEU 113 99.847 -9.955 1.436 794 HB3 LEU 113 2HB LEU 113 101.208 -10.413 0.414 795 HG LEU 113 HG LEU 113 101.062 -12.713 1.590 796 HD11 LEU 113 1HD1 LEU 113 99.618 -12.307 3.413 797 HD12 LEU 113 2HD1 LEU 113 98.589 -13.136 2.247 798 HD13 LEU 113 3HD1 LEU 113 98.486 -11.385 2.424 799 HD21 LEU 113 3HD2 LEU 113 99.141 -13.381 0.068 800 HD22 LEU 113 1HD2 LEU 113 100.440 -12.491 -0.724 801 HD23 LEU 113 2HD2 LEU 113 98.939 -11.670 -0.301 802 H GLN 114 H GLN 114 102.386 -12.737 3.260 803 HA GLN 114 HA GLN 114 105.067 -12.456 2.016 804 HB2 GLN 114 1HB GLN 114 105.144 -12.090 4.485 805 HB3 GLN 114 2HB GLN 114 104.502 -13.718 4.704 806 HG2 GLN 114 1HG GLN 114 106.441 -14.596 3.372 807 HG3 GLN 114 2HG GLN 114 107.111 -12.966 3.361 808 HE21 GLN 114 1HE2 GLN 114 108.673 -12.727 4.955 809 HE22 GLN 114 2HE2 GLN 114 108.627 -13.463 6.484 810 H PHE 115 H PHE 115 105.750 -14.146 0.845 811 HA PHE 115 HA PHE 115 104.638 -16.805 1.418 812 HB2 PHE 115 1HB PHE 115 104.344 -17.293 -0.944 813 HB3 PHE 115 2HB PHE 115 103.344 -15.932 -0.483 814 HD1 PHE 115 HD1 PHE 115 103.996 -13.618 -1.179 815 HD2 PHE 115 HD2 PHE 115 106.076 -17.109 -2.573 816 HE1 PHE 115 HE1 PHE 115 104.972 -12.293 -3.034 817 HE2 PHE 115 HE2 PHE 115 107.055 -15.783 -4.428 818 HZ PHE 115 HZ PHE 115 106.502 -13.376 -4.659 819 H ASN 116 H ASN 116 106.260 -18.360 1.399 820 HA ASN 116 HA ASN 116 108.917 -17.447 0.496 821 HB2 ASN 116 1HB ASN 116 109.867 -18.033 2.691 822 HB3 ASN 116 2HB ASN 116 108.703 -16.713 2.789 823 HD21 ASN 116 1HD2 ASN 116 106.461 -17.317 3.554 824 HD22 ASN 116 2HD2 ASN 116 106.286 -18.651 4.590 825 HA PRO 117 HA PRO 117 109.677 -21.905 0.404 826 HB2 PRO 117 1HB PRO 117 111.378 -21.780 -1.814 827 HB3 PRO 117 2HB PRO 117 109.659 -22.205 -1.871 828 HG2 PRO 117 1HG PRO 117 110.911 -19.911 -2.951 829 HG3 PRO 117 2HG PRO 117 109.183 -20.295 -2.916 830 HD2 PRO 117 1HD PRO 117 110.738 -18.504 -1.126 831 HD3 PRO 117 2HD PRO 117 109.011 -18.456 -1.548 832 H MET 118 H MET 118 112.061 -22.893 0.320 833 HA MET 118 HA MET 118 113.499 -21.630 2.383 834 HB2 MET 118 1HB MET 118 114.357 -23.772 0.427 835 HB3 MET 118 2HB MET 118 115.272 -23.306 1.862 836 HG2 MET 118 1HG MET 118 113.289 -23.852 3.267 837 HG3 MET 118 2HG MET 118 112.449 -24.407 1.820 838 HE1 MET 118 3HE MET 118 112.155 -27.112 2.671 839 HE2 MET 118 1HE MET 118 112.416 -26.011 4.028 840 HE3 MET 118 2HE MET 118 113.295 -27.537 3.945 841 H GLU 119 H GLU 119 115.451 -20.556 2.427 842 HA GLU 119 HA GLU 119 117.275 -19.372 1.766 843 HB2 GLU 119 1HB GLU 119 117.192 -21.373 -0.067 844 HB3 GLU 119 2HB GLU 119 117.006 -19.981 -1.130 845 HG2 GLU 119 1HG GLU 119 119.059 -18.976 -0.068 846 HG3 GLU 119 2HG GLU 119 119.250 -20.457 0.851 847 H ASN 120 H ASN 120 117.606 -17.935 -0.763 848 HA ASN 120 HA ASN 120 116.458 -15.513 0.077 849 HB2 ASN 120 1HB ASN 120 117.482 -14.567 -1.901 850 HB3 ASN 120 2HB ASN 120 118.586 -15.712 -1.143 851 HD21 ASN 120 1HD2 ASN 120 118.816 -15.008 -3.914 852 HD22 ASN 120 2HD2 ASN 120 118.449 -16.382 -4.841 853 H VAL 121 H VAL 121 114.905 -17.974 -1.609 854 HA VAL 121 HA VAL 121 113.671 -16.359 -3.650 855 HB VAL 121 HB VAL 121 112.876 -19.175 -2.901 856 HG11 VAL 121 1HG1 VAL 121 111.355 -18.417 -4.500 857 HG12 VAL 121 2HG1 VAL 121 112.594 -19.117 -5.532 858 HG13 VAL 121 3HG1 VAL 121 112.540 -17.372 -5.280 859 HG21 VAL 121 3HG2 VAL 121 114.530 -19.966 -4.550 860 HG22 VAL 121 1HG2 VAL 121 115.336 -19.104 -3.240 861 HG23 VAL 121 2HG2 VAL 121 115.091 -18.311 -4.796 862 H ALA 122 H ALA 122 113.038 -15.911 -0.584 863 HA ALA 122 HA ALA 122 110.106 -16.208 -0.769 864 HB1 ALA 122 1HB ALA 122 110.177 -15.718 1.676 865 HB2 ALA 122 2HB ALA 122 111.936 -15.636 1.579 866 HB3 ALA 122 3HB ALA 122 111.107 -17.154 1.243 867 H LEU 123 H LEU 123 108.754 -14.367 -0.571 868 HA LEU 123 HA LEU 123 110.138 -11.764 -0.724 869 HB2 LEU 123 1HB LEU 123 108.069 -12.673 -2.734 870 HB3 LEU 123 2HB LEU 123 108.902 -11.123 -2.701 871 HG LEU 123 HG LEU 123 111.067 -12.718 -2.744 872 HD11 LEU 123 1HD1 LEU 123 110.483 -14.559 -4.459 873 HD12 LEU 123 2HD1 LEU 123 108.815 -14.341 -3.931 874 HD13 LEU 123 3HD1 LEU 123 110.043 -14.856 -2.777 875 HD21 LEU 123 3HD2 LEU 123 109.426 -12.129 -5.229 876 HD22 LEU 123 1HD2 LEU 123 111.171 -12.369 -5.155 877 HD23 LEU 123 2HD2 LEU 123 110.443 -10.950 -4.404 878 H ASP 124 H ASP 124 108.843 -9.968 -0.266 879 HA ASP 124 HA ASP 124 106.093 -10.493 0.655 880 HB2 ASP 124 1HB ASP 124 106.449 -9.143 2.656 881 HB3 ASP 124 2HB ASP 124 107.559 -10.509 2.642 882 H PHE 125 H PHE 125 104.667 -8.814 0.339 883 HA PHE 125 HA PHE 125 105.735 -6.379 -0.977 884 HB2 PHE 125 1HB PHE 125 103.229 -7.919 -1.666 885 HB3 PHE 125 2HB PHE 125 103.650 -6.350 -2.326 886 HD1 PHE 125 HD1 PHE 125 104.399 -9.949 -2.335 887 HD2 PHE 125 HD2 PHE 125 105.448 -6.118 -3.969 888 HE1 PHE 125 HE1 PHE 125 105.695 -11.069 -4.128 889 HE2 PHE 125 HE2 PHE 125 106.744 -7.237 -5.761 890 HZ PHE 125 HZ PHE 125 106.867 -9.713 -5.842 891 H SER 126 H SER 126 104.984 -4.474 -0.146 892 HA SER 126 HA SER 126 102.697 -4.581 1.717 893 HB2 SER 126 1HB SER 126 104.771 -4.914 3.041 894 HB3 SER 126 2HB SER 126 105.382 -3.382 2.425 895 HG SER 126 HG SER 126 104.226 -2.453 3.907 896 H TYR 127 H TYR 127 101.693 -2.592 2.123 897 HA TYR 127 HA TYR 127 102.559 -0.324 0.419 898 HB2 TYR 127 1HB TYR 127 100.451 -1.386 -0.364 899 HB3 TYR 127 2HB TYR 127 99.739 -1.075 1.207 900 HD1 TYR 127 HD1 TYR 127 99.107 1.192 1.879 901 HD2 TYR 127 HD2 TYR 127 100.860 0.406 -1.964 902 HE1 TYR 127 HE1 TYR 127 98.408 3.440 1.100 903 HE2 TYR 127 HE2 TYR 127 100.160 2.655 -2.743 904 HH TYR 127 HH TYR 127 98.991 4.486 -2.253 905 H GLU 128 H GLU 128 102.610 1.690 1.403 906 HA GLU 128 HA GLU 128 101.928 1.772 4.285 907 HB2 GLU 128 1HB GLU 128 104.392 2.927 2.953 908 HB3 GLU 128 2HB GLU 128 103.949 3.132 4.647 909 HG2 GLU 128 1HG GLU 128 104.018 0.662 4.932 910 HG3 GLU 128 2HG GLU 128 104.549 0.503 3.266 911 H GLN 129 H GLN 129 101.169 3.741 5.048 912 HA GLN 129 HA GLN 129 100.717 5.859 3.031 913 HB2 GLN 129 1HB GLN 129 98.648 4.511 3.437 914 HB3 GLN 129 2HB GLN 129 98.717 4.999 5.131 915 HG2 GLN 129 1HG GLN 129 98.595 7.360 4.478 916 HG3 GLN 129 2HG GLN 129 98.583 6.905 2.777 917 HE21 GLN 129 1HE2 GLN 129 96.448 8.408 3.572 918 HE22 GLN 129 2HE2 GLN 129 95.049 7.459 3.726 919 H SER 130 H SER 130 101.214 7.825 3.651 920 HA SER 130 HA SER 130 101.689 8.392 6.508 921 HB2 SER 130 1HB SER 130 103.546 8.838 4.771 922 HB3 SER 130 2HB SER 130 102.522 10.153 4.202 923 HG SER 130 HG SER 130 103.995 10.850 5.808 924 H ARG 131 H ARG 131 100.763 10.373 7.355 925 HA ARG 131 HA ARG 131 97.986 10.288 6.458 926 HB2 ARG 131 1HB ARG 131 98.596 9.765 8.822 927 HB3 ARG 131 2HB ARG 131 99.175 11.422 9.005 928 HG2 ARG 131 1HG ARG 131 96.908 12.251 8.388 929 HG3 ARG 131 2HG ARG 131 96.342 10.580 8.325 930 HD2 ARG 131 1HD ARG 131 97.538 11.936 10.757 931 HD3 ARG 131 2HD ARG 131 95.823 11.625 10.504 932 HE ARG 131 HE ARG 131 97.820 9.721 11.331 933 HH11 ARG 131 1HH1 ARG 131 94.730 10.033 9.693 934 HH12 ARG 131 2HH1 ARG 131 94.270 8.398 10.037 935 HH21 ARG 131 1HH2 ARG 131 97.175 7.626 11.742 936 HH22 ARG 131 2HH2 ARG 131 95.637 7.054 11.181 937 H ILE 132 H ILE 132 96.684 12.383 6.463 938 HA ILE 132 HA ILE 132 98.271 13.482 4.296 939 HB ILE 132 HB ILE 132 95.287 13.605 4.793 940 HG12 ILE 132 1HG1 ILE 132 96.813 11.846 2.855 941 HG13 ILE 132 2HG1 ILE 132 96.350 11.297 4.464 942 HG21 ILE 132 1HG2 ILE 132 95.826 15.354 3.269 943 HG22 ILE 132 2HG2 ILE 132 95.323 14.009 2.247 944 HG23 ILE 132 3HG2 ILE 132 97.038 14.374 2.447 945 HD11 ILE 132 3HD1 ILE 132 94.532 10.571 3.211 946 HD12 ILE 132 1HD1 ILE 132 94.605 11.951 2.115 947 HD13 ILE 132 2HD1 ILE 132 93.962 12.150 3.746 948 H ARG 133 H ARG 133 99.454 15.072 5.215 949 HA ARG 133 HA ARG 133 98.147 17.638 5.680 950 HB2 ARG 133 1HB ARG 133 101.046 16.913 5.142 951 HB3 ARG 133 2HB ARG 133 100.460 18.524 5.551 952 HG2 ARG 133 1HG ARG 133 99.562 17.624 7.692 953 HG3 ARG 133 2HG ARG 133 100.264 16.054 7.295 954 HD2 ARG 133 1HD ARG 133 102.507 17.194 7.114 955 HD3 ARG 133 2HD ARG 133 101.748 18.656 7.740 956 HE ARG 133 HE ARG 133 101.831 17.716 9.841 957 HH11 ARG 133 1HH1 ARG 133 102.070 15.107 7.504 958 HH12 ARG 133 2HH1 ARG 133 102.338 13.906 8.723 959 HH21 ARG 133 1HH2 ARG 133 102.180 16.126 11.364 960 HH22 ARG 133 2HH2 ARG 133 102.399 14.476 10.881 961 H SER 134 H SER 134 99.362 19.358 3.962 962 HA SER 134 HA SER 134 97.834 19.106 1.658 963 HB2 SER 134 1HB SER 134 99.135 20.931 0.744 964 HB3 SER 134 2HB SER 134 98.897 21.203 2.465 965 HG SER 134 HG SER 134 101.148 21.243 1.277 966 H VAL 135 H VAL 135 100.883 17.521 2.318 967 HA VAL 135 HA VAL 135 100.727 16.362 -0.407 968 HB VAL 135 HB VAL 135 103.122 16.424 1.450 969 HG11 VAL 135 1HG1 VAL 135 102.688 15.413 -1.374 970 HG12 VAL 135 2HG1 VAL 135 103.210 14.482 0.031 971 HG13 VAL 135 3HG1 VAL 135 104.288 15.684 -0.679 972 HG21 VAL 135 3HG2 VAL 135 102.545 17.989 -1.088 973 HG22 VAL 135 1HG2 VAL 135 104.059 18.022 -0.185 974 HG23 VAL 135 2HG2 VAL 135 102.586 18.660 0.544 975 H ASP 136 H ASP 136 100.151 14.265 -0.519 976 HA ASP 136 HA ASP 136 100.070 12.689 1.988 977 HB2 ASP 136 1HB ASP 136 98.282 11.384 0.897 978 HB3 ASP 136 2HB ASP 136 97.859 13.091 1.007 979 H VAL 137 H VAL 137 100.952 10.575 2.008 980 HA VAL 137 HA VAL 137 102.766 10.095 -0.306 981 HB VAL 137 HB VAL 137 103.153 9.090 2.510 982 HG11 VAL 137 1HG1 VAL 137 104.323 7.753 0.896 983 HG12 VAL 137 2HG1 VAL 137 105.510 8.823 1.642 984 HG13 VAL 137 3HG1 VAL 137 104.883 9.186 0.033 985 HG21 VAL 137 3HG2 VAL 137 103.254 11.582 2.421 986 HG22 VAL 137 1HG2 VAL 137 104.457 11.466 1.138 987 HG23 VAL 137 2HG2 VAL 137 104.831 10.868 2.754 988 H GLY 138 H GLY 138 102.604 8.280 -1.442 989 HA2 GLY 138 1HA GLY 138 101.335 5.917 -0.176 990 HA3 GLY 138 2HA GLY 138 101.095 6.315 -1.880 991 H THR 139 H THR 139 102.818 4.278 0.069 992 HA THR 139 HA THR 139 105.126 4.231 -1.792 993 HB THR 139 HB THR 139 105.231 3.638 1.170 994 HG1 THR 139 HG1 THR 139 105.776 5.925 -0.368 995 HG21 THR 139 3HG2 THR 139 107.453 4.034 -0.849 996 HG22 THR 139 1HG2 THR 139 106.854 2.452 -0.350 997 HG23 THR 139 2HG2 THR 139 107.619 3.519 0.830 998 H TRP 140 H TRP 140 105.556 2.276 -2.694 999 HA TRP 140 HA TRP 140 104.346 -0.114 -1.400 1000 HB2 TRP 140 1HB TRP 140 104.286 -1.158 -3.636 1001 HB3 TRP 140 2HB TRP 140 103.217 0.220 -3.478 1002 HD1 TRP 140 HD1 TRP 140 106.722 -0.606 -4.885 1003 HE1 TRP 140 HE1 TRP 140 107.098 0.848 -6.977 1004 HE3 TRP 140 HE3 TRP 140 102.442 2.176 -4.804 1005 HZ2 TRP 140 HZ2 TRP 140 105.758 2.924 -8.430 1006 HZ3 TRP 140 HZ3 TRP 140 102.015 3.879 -6.549 1007 HH2 TRP 140 HH2 TRP 140 103.665 4.257 -8.360 1008 H ILE 141 H ILE 141 105.628 -1.836 -1.033 1009 HA ILE 141 HA ILE 141 108.516 -1.453 -1.579 1010 HB ILE 141 HB ILE 141 107.267 -2.696 0.888 1011 HG12 ILE 141 1HG1 ILE 141 108.652 -0.013 0.651 1012 HG13 ILE 141 2HG1 ILE 141 106.899 -0.201 0.679 1013 HG21 ILE 141 1HG2 ILE 141 109.540 -2.628 1.775 1014 HG22 ILE 141 2HG2 ILE 141 110.119 -1.849 0.303 1015 HG23 ILE 141 3HG2 ILE 141 109.536 -3.513 0.248 1016 HD11 ILE 141 3HD1 ILE 141 107.617 0.267 2.937 1017 HD12 ILE 141 1HD1 ILE 141 108.859 -0.982 2.853 1018 HD13 ILE 141 2HD1 ILE 141 107.155 -1.434 2.867 1019 H ALA 142 H ALA 142 109.641 -3.203 -2.304 1020 HA ALA 142 HA ALA 142 108.355 -5.862 -2.155 1021 HB1 ALA 142 1HB ALA 142 108.329 -4.646 -4.493 1022 HB2 ALA 142 2HB ALA 142 108.770 -6.350 -4.391 1023 HB3 ALA 142 3HB ALA 142 110.027 -5.121 -4.532 1024 H GLY 143 H GLY 143 109.672 -7.278 -1.144 1025 HA2 GLY 143 1HA GLY 143 112.592 -6.820 -1.259 1026 HA3 GLY 143 2HA GLY 143 111.792 -6.953 0.303 1027 H VAL 144 H VAL 144 113.877 -8.636 -0.768 1028 HA VAL 144 HA VAL 144 112.463 -11.238 -0.770 1029 HB VAL 144 HB VAL 144 114.276 -12.117 -2.204 1030 HG11 VAL 144 1HG1 VAL 144 112.092 -10.910 -3.038 1031 HG12 VAL 144 2HG1 VAL 144 113.352 -11.328 -4.199 1032 HG13 VAL 144 3HG1 VAL 144 113.217 -9.674 -3.600 1033 HG21 VAL 144 3HG2 VAL 144 115.153 -9.211 -2.245 1034 HG22 VAL 144 1HG2 VAL 144 115.772 -10.453 -3.333 1035 HG23 VAL 144 2HG2 VAL 144 116.067 -10.573 -1.599 1036 H GLY 145 H GLY 145 113.471 -12.891 0.433 1037 HA2 GLY 145 1HA GLY 145 115.878 -12.278 1.945 1038 HA3 GLY 145 2HA GLY 145 114.397 -12.351 2.889 1039 H TYR 146 H TYR 146 116.150 -14.019 3.715 1040 HA TYR 146 HA TYR 146 115.146 -16.645 2.870 1041 HB2 TYR 146 1HB TYR 146 117.339 -17.627 2.928 1042 HB3 TYR 146 2HB TYR 146 117.356 -16.290 1.801 1043 HD1 TYR 146 HD1 TYR 146 118.509 -14.163 2.400 1044 HD2 TYR 146 HD2 TYR 146 118.678 -17.641 4.916 1045 HE1 TYR 146 HE1 TYR 146 120.449 -13.197 3.605 1046 HE2 TYR 146 HE2 TYR 146 120.620 -16.674 6.121 1047 HH TYR 146 HH TYR 146 122.100 -13.627 5.072 1048 H ARG 147 H ARG 147 115.712 -18.326 4.567 1049 HA ARG 147 HA ARG 147 115.551 -17.105 7.267 1050 HB2 ARG 147 1HB ARG 147 114.266 -19.644 6.231 1051 HB3 ARG 147 2HB ARG 147 114.197 -19.075 7.901 1052 HG2 ARG 147 1HG ARG 147 113.128 -16.968 7.098 1053 HG3 ARG 147 2HG ARG 147 113.105 -17.637 5.466 1054 HD2 ARG 147 1HD ARG 147 111.798 -19.591 6.366 1055 HD3 ARG 147 2HD ARG 147 111.689 -18.742 7.905 1056 HE ARG 147 HE ARG 147 110.795 -17.130 5.703 1057 HH11 ARG 147 1HH1 ARG 147 109.768 -19.663 7.906 1058 HH12 ARG 147 2HH1 ARG 147 108.092 -19.252 7.757 1059 HH21 ARG 147 1HH2 ARG 147 108.622 -16.645 5.554 1060 HH22 ARG 147 2HH2 ARG 147 107.454 -17.563 6.443 1061 H PHE 148 H PHE 148 116.631 -18.152 8.963 1062 HA PHE 148 HA PHE 148 119.062 -19.476 8.191 1063 HB2 PHE 148 1HB PHE 148 118.883 -17.896 10.105 1064 HB3 PHE 148 2HB PHE 148 117.891 -19.072 10.946 1065 HD1 PHE 148 HD1 PHE 148 121.278 -18.328 9.664 1066 HD2 PHE 148 HD2 PHE 148 118.870 -21.008 12.001 1067 HE1 PHE 148 HE1 PHE 148 123.333 -19.397 10.556 1068 HE2 PHE 148 HE2 PHE 148 120.923 -22.077 12.893 1069 HZ PHE 148 HZ PHE 148 123.155 -21.270 12.171 Start of MODEL 18 1 H1 ALA 1 3H ALA 1 111.237 -20.968 10.127 2 H2 ALA 1 2H ALA 1 112.627 -20.013 9.912 3 H3 ALA 1 HT3 ALA 1 111.603 -19.741 11.240 4 HA ALA 1 HA ALA 1 112.174 -22.277 11.686 5 HB1 ALA 1 2HB ALA 1 113.687 -22.773 9.998 6 HB2 ALA 1 3HB ALA 1 114.788 -22.227 11.261 7 HB3 ALA 1 1HB ALA 1 114.336 -21.135 9.953 8 H THR 2 H THR 2 113.756 -19.097 11.673 9 HA THR 2 HA THR 2 113.622 -18.970 14.559 10 HB THR 2 HB THR 2 116.343 -18.910 13.237 11 HG1 THR 2 HG1 THR 2 116.579 -20.928 13.886 12 HG21 THR 2 3HG2 THR 2 116.168 -17.475 15.205 13 HG22 THR 2 1HG2 THR 2 117.116 -18.909 15.603 14 HG23 THR 2 2HG2 THR 2 115.435 -18.788 16.125 15 H SER 3 H SER 3 115.190 -17.555 11.685 16 HA SER 3 HA SER 3 113.973 -14.981 12.303 17 HB2 SER 3 1HB SER 3 116.122 -14.961 13.549 18 HB3 SER 3 2HB SER 3 116.975 -15.268 12.040 19 HG SER 3 HG SER 3 116.394 -12.958 12.974 20 H THR 4 H THR 4 113.806 -13.616 10.527 21 HA THR 4 HA THR 4 114.780 -14.691 7.941 22 HB THR 4 HB THR 4 112.153 -13.260 8.409 23 HG1 THR 4 HG1 THR 4 111.304 -15.158 8.684 24 HG21 THR 4 3HG2 THR 4 113.103 -14.818 5.999 25 HG22 THR 4 1HG2 THR 4 113.313 -13.075 6.149 26 HG23 THR 4 2HG2 THR 4 111.692 -13.767 6.118 27 H VAL 5 H VAL 5 115.629 -13.230 6.518 28 HA VAL 5 HA VAL 5 115.697 -10.385 7.371 29 HB VAL 5 HB VAL 5 117.995 -11.937 6.149 30 HG11 VAL 5 1HG1 VAL 5 119.281 -9.895 6.640 31 HG12 VAL 5 2HG1 VAL 5 117.826 -9.123 7.269 32 HG13 VAL 5 3HG1 VAL 5 117.935 -9.535 5.558 33 HG21 VAL 5 3HG2 VAL 5 119.046 -11.511 8.414 34 HG22 VAL 5 1HG2 VAL 5 117.713 -12.666 8.433 35 HG23 VAL 5 2HG2 VAL 5 117.454 -11.010 8.985 36 H THR 6 H THR 6 115.029 -8.994 5.836 37 HA THR 6 HA THR 6 115.073 -9.896 3.015 38 HB THR 6 HB THR 6 112.809 -8.308 4.235 39 HG1 THR 6 HG1 THR 6 111.734 -10.196 4.429 40 HG21 THR 6 3HG2 THR 6 111.737 -8.613 2.174 41 HG22 THR 6 1HG2 THR 6 112.779 -9.962 1.723 42 HG23 THR 6 2HG2 THR 6 113.409 -8.314 1.700 43 H GLY 7 H GLY 7 115.692 -8.396 1.545 44 HA2 GLY 7 1HA GLY 7 115.954 -5.582 2.442 45 HA3 GLY 7 2HA GLY 7 117.215 -6.369 1.485 46 H GLY 8 H GLY 8 115.299 -4.054 0.886 47 HA2 GLY 8 1HA GLY 8 114.516 -4.924 -1.764 48 HA3 GLY 8 2HA GLY 8 113.157 -4.709 -0.673 49 H TYR 9 H TYR 9 112.638 -3.179 -2.452 50 HA TYR 9 HA TYR 9 113.772 -0.512 -1.920 51 HB2 TYR 9 1HB TYR 9 114.848 -1.429 -3.945 52 HB3 TYR 9 2HB TYR 9 113.269 -1.701 -4.655 53 HD1 TYR 9 HD1 TYR 9 115.704 0.875 -3.580 54 HD2 TYR 9 HD2 TYR 9 112.023 0.096 -5.653 55 HE1 TYR 9 HE1 TYR 9 115.749 3.169 -4.522 56 HE2 TYR 9 HE2 TYR 9 112.066 2.391 -6.593 57 HH TYR 9 HH TYR 9 114.589 4.222 -6.847 58 H ALA 10 H ALA 10 112.290 1.137 -2.062 59 HA ALA 10 HA ALA 10 109.511 0.415 -2.776 60 HB1 ALA 10 1HB ALA 10 110.181 0.693 -0.228 61 HB2 ALA 10 2HB ALA 10 108.659 1.338 -0.840 62 HB3 ALA 10 3HB ALA 10 110.044 2.406 -0.612 63 H GLN 11 H GLN 11 108.275 2.045 -3.692 64 HA GLN 11 HA GLN 11 109.742 4.492 -4.493 65 HB2 GLN 11 1HB GLN 11 108.494 4.468 -6.579 66 HB3 GLN 11 2HB GLN 11 109.340 2.937 -6.382 67 HG2 GLN 11 1HG GLN 11 107.182 2.007 -5.403 68 HG3 GLN 11 2HG GLN 11 106.397 3.489 -5.944 69 HE21 GLN 11 1HE2 GLN 11 105.155 2.698 -7.699 70 HE22 GLN 11 2HE2 GLN 11 105.828 1.910 -9.043 71 H SER 12 H SER 12 108.746 6.421 -4.197 72 HA SER 12 HA SER 12 106.108 6.362 -2.849 73 HB2 SER 12 1HB SER 12 107.972 7.228 -1.462 74 HB3 SER 12 2HB SER 12 108.302 8.445 -2.690 75 HG SER 12 HG SER 12 106.883 9.550 -1.580 76 H ASP 13 H ASP 13 104.502 7.707 -3.563 77 HA ASP 13 HA ASP 13 104.663 8.301 -6.374 78 HB2 ASP 13 1HB ASP 13 102.658 7.292 -5.313 79 HB3 ASP 13 2HB ASP 13 102.391 8.802 -4.444 80 H ALA 14 H ALA 14 105.000 10.152 -7.330 81 HA ALA 14 HA ALA 14 105.434 12.539 -5.691 82 HB1 ALA 14 1HB ALA 14 107.297 12.368 -7.002 83 HB2 ALA 14 2HB ALA 14 106.299 13.293 -8.119 84 HB3 ALA 14 3HB ALA 14 106.442 11.545 -8.304 85 H GLN 15 H GLN 15 104.398 14.441 -5.994 86 HA GLN 15 HA GLN 15 101.892 14.391 -7.495 87 HB2 GLN 15 1HB GLN 15 103.102 16.470 -5.649 88 HB3 GLN 15 2HB GLN 15 101.506 16.588 -6.392 89 HG2 GLN 15 1HG GLN 15 100.788 14.546 -5.259 90 HG3 GLN 15 2HG GLN 15 102.397 14.333 -4.574 91 HE21 GLN 15 1HE2 GLN 15 100.084 14.573 -2.906 92 HE22 GLN 15 2HE2 GLN 15 100.196 16.034 -2.047 93 H GLY 16 H GLY 16 101.386 16.159 -9.011 94 HA2 GLY 16 1HA GLY 16 103.176 16.147 -11.107 95 HA3 GLY 16 2HA GLY 16 101.881 17.322 -10.939 96 H GLN 17 H GLN 17 104.538 17.650 -12.051 97 HA GLN 17 HA GLN 17 106.307 19.079 -12.089 98 HB2 GLN 17 1HB GLN 17 104.717 20.590 -9.999 99 HB3 GLN 17 2HB GLN 17 106.126 21.203 -10.860 100 HG2 GLN 17 1HG GLN 17 104.976 20.980 -12.996 101 HG3 GLN 17 2HG GLN 17 103.582 20.255 -12.201 102 HE21 GLN 17 1HE2 GLN 17 103.337 22.649 -13.749 103 HE22 GLN 17 2HE2 GLN 17 102.948 23.924 -12.700 104 H MET 18 H MET 18 106.400 16.759 -10.372 105 HA MET 18 HA MET 18 108.747 17.592 -8.852 106 HB2 MET 18 1HB MET 18 106.549 15.978 -7.533 107 HB3 MET 18 2HB MET 18 108.092 16.427 -6.819 108 HG2 MET 18 1HG MET 18 107.488 18.831 -7.091 109 HG3 MET 18 2HG MET 18 105.904 18.335 -7.684 110 HE1 MET 18 3HE MET 18 104.518 19.597 -5.829 111 HE2 MET 18 1HE MET 18 106.115 20.292 -5.518 112 HE3 MET 18 2HE MET 18 105.118 19.733 -4.177 113 H ASN 19 H ASN 19 109.804 15.504 -7.894 114 HA ASN 19 HA ASN 19 109.620 13.375 -9.951 115 HB2 ASN 19 1HB ASN 19 111.741 14.783 -9.867 116 HB3 ASN 19 2HB ASN 19 112.059 14.034 -8.303 117 HD21 ASN 19 1HD2 ASN 19 113.355 12.207 -8.462 118 HD22 ASN 19 2HD2 ASN 19 113.414 11.167 -9.802 119 H LYS 20 H LYS 20 109.368 11.312 -9.302 120 HA LYS 20 HA LYS 20 108.439 10.623 -6.786 121 HB2 LYS 20 1HB LYS 20 108.606 8.345 -7.440 122 HB3 LYS 20 2HB LYS 20 108.216 9.264 -8.883 123 HG2 LYS 20 1HG LYS 20 111.036 8.409 -8.156 124 HG3 LYS 20 2HG LYS 20 109.973 7.478 -9.202 125 HD2 LYS 20 1HD LYS 20 109.758 9.581 -10.636 126 HD3 LYS 20 2HD LYS 20 111.099 10.239 -9.696 127 HE2 LYS 20 1HE LYS 20 112.076 9.227 -11.632 128 HE3 LYS 20 2HE LYS 20 112.397 8.137 -10.281 129 HZ1 LYS 20 3HZ LYS 20 111.416 6.563 -11.468 130 HZ2 LYS 20 1HZ LYS 20 110.898 7.667 -12.645 131 HZ3 LYS 20 2HZ LYS 20 109.944 7.386 -11.269 132 H MET 21 H MET 21 109.473 8.977 -5.273 133 HA MET 21 HA MET 21 112.333 9.674 -4.832 134 HB2 MET 21 1HB MET 21 110.140 9.454 -2.758 135 HB3 MET 21 2HB MET 21 111.855 9.650 -2.396 136 HG2 MET 21 1HG MET 21 111.837 11.757 -3.768 137 HG3 MET 21 2HG MET 21 110.087 11.593 -3.904 138 HE1 MET 21 3HE MET 21 109.444 10.544 -0.484 139 HE2 MET 21 1HE MET 21 108.740 10.918 -2.063 140 HE3 MET 21 2HE MET 21 108.550 12.043 -0.721 141 H GLY 22 H GLY 22 113.568 8.041 -3.638 142 HA2 GLY 22 1HA GLY 22 112.336 5.337 -3.818 143 HA3 GLY 22 2HA GLY 22 113.974 5.667 -4.376 144 H GLY 23 H GLY 23 112.974 3.851 -2.241 145 HA2 GLY 23 1HA GLY 23 114.845 4.782 -0.162 146 HA3 GLY 23 2HA GLY 23 113.228 4.267 0.310 147 H PHE 24 H PHE 24 115.995 3.167 0.842 148 HA PHE 24 HA PHE 24 115.533 0.403 -0.146 149 HB2 PHE 24 1HB PHE 24 117.679 1.410 -0.870 150 HB3 PHE 24 2HB PHE 24 118.106 1.665 0.810 151 HD1 PHE 24 HD1 PHE 24 117.539 -0.872 -1.819 152 HD2 PHE 24 HD2 PHE 24 118.891 -0.150 2.194 153 HE1 PHE 24 HE1 PHE 24 118.508 -3.154 -1.733 154 HE2 PHE 24 HE2 PHE 24 119.859 -2.432 2.279 155 HZ PHE 24 HZ PHE 24 119.668 -3.933 0.315 156 H ASN 25 H ASN 25 115.428 -1.253 1.379 157 HA ASN 25 HA ASN 25 115.442 -0.380 4.211 158 HB2 ASN 25 1HB ASN 25 113.360 -1.546 4.598 159 HB3 ASN 25 2HB ASN 25 113.142 -0.371 3.306 160 HD21 ASN 25 1HD2 ASN 25 111.656 -2.965 3.843 161 HD22 ASN 25 2HD2 ASN 25 111.797 -3.848 2.401 162 H LEU 26 H LEU 26 116.040 -1.813 5.726 163 HA LEU 26 HA LEU 26 116.704 -4.575 4.880 164 HB2 LEU 26 1HB LEU 26 117.859 -2.997 7.197 165 HB3 LEU 26 2HB LEU 26 118.325 -4.627 6.711 166 HG LEU 26 HG LEU 26 118.588 -2.165 4.957 167 HD11 LEU 26 1HD1 LEU 26 120.118 -2.169 6.932 168 HD12 LEU 26 2HD1 LEU 26 120.984 -2.331 5.404 169 HD13 LEU 26 3HD1 LEU 26 120.723 -3.745 6.425 170 HD21 LEU 26 3HD2 LEU 26 119.220 -5.092 4.631 171 HD22 LEU 26 1HD2 LEU 26 120.175 -3.885 3.773 172 HD23 LEU 26 2HD2 LEU 26 118.438 -3.994 3.493 173 H LYS 27 H LYS 27 115.933 -6.285 6.222 174 HA LYS 27 HA LYS 27 113.823 -5.454 8.133 175 HB2 LYS 27 1HB LYS 27 112.943 -6.004 5.842 176 HB3 LYS 27 2HB LYS 27 113.585 -7.631 6.053 177 HG2 LYS 27 1HG LYS 27 111.313 -7.787 6.712 178 HG3 LYS 27 2HG LYS 27 112.216 -7.712 8.225 179 HD2 LYS 27 1HD LYS 27 111.750 -5.337 8.445 180 HD3 LYS 27 2HD LYS 27 110.973 -5.306 6.865 181 HE2 LYS 27 1HE LYS 27 109.867 -7.287 8.789 182 HE3 LYS 27 2HE LYS 27 109.608 -5.591 9.192 183 HZ1 LYS 27 3HZ LYS 27 108.161 -5.355 7.544 184 HZ2 LYS 27 1HZ LYS 27 108.139 -7.047 7.434 185 HZ3 LYS 27 2HZ LYS 27 109.163 -6.145 6.421 186 H TYR 28 H TYR 28 113.592 -6.725 9.935 187 HA TYR 28 HA TYR 28 114.940 -9.352 9.962 188 HB2 TYR 28 1HB TYR 28 115.797 -8.985 12.166 189 HB3 TYR 28 2HB TYR 28 116.345 -7.680 11.135 190 HD1 TYR 28 HD1 TYR 28 115.442 -5.401 11.410 191 HD2 TYR 28 HD2 TYR 28 114.272 -8.617 14.006 192 HE1 TYR 28 HE1 TYR 28 114.527 -3.761 13.029 193 HE2 TYR 28 HE2 TYR 28 113.356 -6.978 15.625 194 HH TYR 28 HH TYR 28 113.789 -4.510 16.183 195 H ARG 29 H ARG 29 113.967 -10.918 11.266 196 HA ARG 29 HA ARG 29 111.345 -10.285 12.424 197 HB2 ARG 29 1HB ARG 29 110.952 -10.825 10.036 198 HB3 ARG 29 2HB ARG 29 111.749 -12.378 10.273 199 HG2 ARG 29 1HG ARG 29 110.055 -12.975 11.980 200 HG3 ARG 29 2HG ARG 29 109.239 -11.439 11.693 201 HD2 ARG 29 1HD ARG 29 108.966 -12.085 9.294 202 HD3 ARG 29 2HD ARG 29 109.666 -13.656 9.672 203 HE ARG 29 HE ARG 29 107.482 -13.099 11.408 204 HH11 ARG 29 1HH1 ARG 29 108.145 -14.048 8.094 205 HH12 ARG 29 2HH1 ARG 29 106.624 -14.857 7.916 206 HH21 ARG 29 1HH2 ARG 29 105.540 -14.158 11.119 207 HH22 ARG 29 2HH2 ARG 29 105.168 -14.918 9.608 208 H TYR 30 H TYR 30 110.730 -11.677 14.067 209 HA TYR 30 HA TYR 30 112.611 -13.878 14.705 210 HB2 TYR 30 1HB TYR 30 110.742 -12.305 16.485 211 HB3 TYR 30 2HB TYR 30 111.700 -13.678 17.009 212 HD1 TYR 30 HD1 TYR 30 114.135 -13.498 17.248 213 HD2 TYR 30 HD2 TYR 30 111.750 -10.141 16.028 214 HE1 TYR 30 HE1 TYR 30 116.037 -11.975 17.716 215 HE2 TYR 30 HE2 TYR 30 113.650 -8.619 16.495 216 HH TYR 30 HH TYR 30 116.283 -8.938 16.569 217 H GLU 31 H GLU 31 111.810 -15.935 15.031 218 HA GLU 31 HA GLU 31 109.115 -16.372 13.977 219 HB2 GLU 31 1HB GLU 31 111.046 -17.652 13.064 220 HB3 GLU 31 2HB GLU 31 111.264 -18.394 14.649 221 HG2 GLU 31 1HG GLU 31 109.955 -19.919 13.323 222 HG3 GLU 31 2HG GLU 31 108.881 -19.198 14.517 223 H GLU 32 H GLU 32 107.442 -16.826 15.204 224 HA GLU 32 HA GLU 32 107.798 -18.113 17.798 225 HB2 GLU 32 1HB GLU 32 106.425 -15.438 17.480 226 HB3 GLU 32 2HB GLU 32 106.381 -16.431 18.939 227 HG2 GLU 32 1HG GLU 32 108.881 -16.372 18.994 228 HG3 GLU 32 2HG GLU 32 108.852 -15.264 17.629 229 H ASP 33 H ASP 33 105.856 -18.966 18.683 230 HA ASP 33 HA ASP 33 104.274 -20.195 16.634 231 HB2 ASP 33 1HB ASP 33 104.118 -20.357 19.652 232 HB3 ASP 33 2HB ASP 33 103.202 -21.372 18.542 233 H ASN 34 H ASN 34 101.807 -20.492 17.399 234 HA ASN 34 HA ASN 34 100.489 -18.202 16.573 235 HB2 ASN 34 1HB ASN 34 99.424 -20.475 18.253 236 HB3 ASN 34 2HB ASN 34 98.434 -19.297 17.395 237 HD21 ASN 34 1HD2 ASN 34 99.819 -19.082 14.950 238 HD22 ASN 34 2HD2 ASN 34 99.794 -20.584 14.159 239 H SER 35 H SER 35 101.402 -19.089 19.903 240 HA SER 35 HA SER 35 99.475 -17.162 20.961 241 HB2 SER 35 1HB SER 35 100.128 -19.537 21.906 242 HB3 SER 35 2HB SER 35 101.396 -18.620 22.714 243 HG SER 35 HG SER 35 99.931 -17.795 23.980 244 HA PRO 36 HA PRO 36 103.129 -14.510 21.566 245 HB2 PRO 36 1HB PRO 36 105.680 -15.478 20.809 246 HB3 PRO 36 2HB PRO 36 105.047 -15.341 22.455 247 HG2 PRO 36 1HG PRO 36 105.656 -17.701 21.094 248 HG3 PRO 36 2HG PRO 36 104.765 -17.552 22.618 249 HD2 PRO 36 1HD PRO 36 103.715 -17.940 19.858 250 HD3 PRO 36 2HD PRO 36 103.053 -18.522 21.401 251 H LEU 37 H LEU 37 103.148 -12.922 20.079 252 HA LEU 37 HA LEU 37 102.833 -13.564 17.293 253 HB2 LEU 37 1HB LEU 37 103.098 -10.865 18.637 254 HB3 LEU 37 2HB LEU 37 102.525 -11.157 16.996 255 HG LEU 37 HG LEU 37 101.207 -12.254 19.498 256 HD11 LEU 37 1HD1 LEU 37 100.849 -9.891 19.498 257 HD12 LEU 37 2HD1 LEU 37 99.391 -10.592 18.798 258 HD13 LEU 37 3HD1 LEU 37 100.605 -9.857 17.751 259 HD21 LEU 37 3HD2 LEU 37 100.678 -13.701 17.695 260 HD22 LEU 37 1HD2 LEU 37 100.588 -12.370 16.543 261 HD23 LEU 37 2HD2 LEU 37 99.321 -12.576 17.752 262 H GLY 38 H GLY 38 104.114 -12.706 15.552 263 HA2 GLY 38 1HA GLY 38 106.950 -13.047 16.084 264 HA3 GLY 38 2HA GLY 38 106.197 -12.829 14.505 265 H VAL 39 H VAL 39 108.548 -11.445 15.915 266 HA VAL 39 HA VAL 39 107.489 -8.677 15.976 267 HB VAL 39 HB VAL 39 110.128 -9.737 17.025 268 HG11 VAL 39 1HG1 VAL 39 110.273 -7.538 18.118 269 HG12 VAL 39 2HG1 VAL 39 108.739 -7.064 17.390 270 HG13 VAL 39 3HG1 VAL 39 110.149 -7.347 16.369 271 HG21 VAL 39 3HG2 VAL 39 107.576 -8.973 18.480 272 HG22 VAL 39 1HG2 VAL 39 109.098 -9.412 19.253 273 HG23 VAL 39 2HG2 VAL 39 108.209 -10.608 18.308 274 H ILE 40 H ILE 40 107.910 -7.398 14.289 275 HA ILE 40 HA ILE 40 110.256 -8.037 12.584 276 HB ILE 40 HB ILE 40 108.928 -7.246 10.659 277 HG12 ILE 40 1HG1 ILE 40 106.532 -7.356 12.500 278 HG13 ILE 40 2HG1 ILE 40 107.361 -5.844 12.127 279 HG21 ILE 40 1HG2 ILE 40 108.902 -9.573 10.793 280 HG22 ILE 40 2HG2 ILE 40 107.178 -9.203 10.823 281 HG23 ILE 40 3HG2 ILE 40 108.027 -9.575 12.323 282 HD11 ILE 40 3HD1 ILE 40 107.059 -6.556 9.644 283 HD12 ILE 40 1HD1 ILE 40 105.657 -5.926 10.510 284 HD13 ILE 40 2HD1 ILE 40 105.839 -7.664 10.273 285 H GLY 41 H GLY 41 111.418 -6.304 11.780 286 HA2 GLY 41 1HA GLY 41 110.466 -3.591 12.310 287 HA3 GLY 41 2HA GLY 41 111.965 -4.067 13.105 288 H SER 42 H SER 42 111.470 -2.030 10.991 289 HA SER 42 HA SER 42 113.505 -2.994 9.093 290 HB2 SER 42 1HB SER 42 112.264 -2.359 7.165 291 HB3 SER 42 2HB SER 42 111.163 -3.319 8.147 292 HG SER 42 HG SER 42 110.640 -1.090 9.063 293 H PHE 43 H PHE 43 114.816 -1.431 8.269 294 HA PHE 43 HA PHE 43 114.366 1.354 9.195 295 HB2 PHE 43 1HB PHE 43 116.987 -0.101 8.781 296 HB3 PHE 43 2HB PHE 43 116.825 1.592 9.203 297 HD1 PHE 43 HD1 PHE 43 116.553 -1.873 10.398 298 HD2 PHE 43 HD2 PHE 43 116.156 2.270 11.456 299 HE1 PHE 43 HE1 PHE 43 116.521 -2.491 12.799 300 HE2 PHE 43 HE2 PHE 43 116.124 1.654 13.858 301 HZ PHE 43 HZ PHE 43 116.306 -0.726 14.530 302 H THR 44 H THR 44 114.199 2.819 7.571 303 HA THR 44 HA THR 44 115.208 2.038 4.891 304 HB THR 44 HB THR 44 113.231 2.950 3.861 305 HG1 THR 44 HG1 THR 44 111.589 3.825 5.138 306 HG21 THR 44 3HG2 THR 44 113.204 0.614 5.320 307 HG22 THR 44 1HG2 THR 44 111.911 1.144 4.242 308 HG23 THR 44 2HG2 THR 44 111.807 1.470 5.972 309 H TYR 45 H TYR 45 116.136 3.607 3.675 310 HA TYR 45 HA TYR 45 116.072 6.386 4.698 311 HB2 TYR 45 1HB TYR 45 118.370 6.707 4.129 312 HB3 TYR 45 2HB TYR 45 118.250 5.319 5.188 313 HD1 TYR 45 HD1 TYR 45 118.718 3.063 4.361 314 HD2 TYR 45 HD2 TYR 45 119.016 6.493 1.793 315 HE1 TYR 45 HE1 TYR 45 119.982 1.715 2.707 316 HE2 TYR 45 HE2 TYR 45 120.278 5.144 0.136 317 HH TYR 45 HH TYR 45 120.373 1.839 0.150 318 H THR 46 H THR 46 115.763 7.988 3.163 319 HA THR 46 HA THR 46 114.916 6.950 0.549 320 HB THR 46 HB THR 46 114.421 9.698 1.696 321 HG1 THR 46 HG1 THR 46 112.608 7.549 1.761 322 HG21 THR 46 3HG2 THR 46 112.541 9.667 0.114 323 HG22 THR 46 1HG2 THR 46 112.985 8.038 -0.396 324 HG23 THR 46 2HG2 THR 46 114.062 9.393 -0.735 325 H GLU 47 H GLU 47 115.534 7.920 -1.390 326 HA GLU 47 HA GLU 47 117.976 9.571 -1.290 327 HB2 GLU 47 1HB GLU 47 118.502 7.138 -1.652 328 HB3 GLU 47 2HB GLU 47 117.559 7.211 -3.138 329 HG2 GLU 47 1HG GLU 47 119.036 9.038 -3.956 330 HG3 GLU 47 2HG GLU 47 120.003 8.885 -2.496 331 H LYS 48 H LYS 48 118.283 10.922 -3.053 332 HA LYS 48 HA LYS 48 115.992 11.237 -4.888 333 HB2 LYS 48 1HB LYS 48 116.093 13.648 -4.563 334 HB3 LYS 48 2HB LYS 48 115.856 12.849 -3.011 335 HG2 LYS 48 1HG LYS 48 118.326 12.998 -2.615 336 HG3 LYS 48 2HG LYS 48 118.470 13.929 -4.105 337 HD2 LYS 48 1HD LYS 48 116.766 15.537 -3.125 338 HD3 LYS 48 2HD LYS 48 116.971 14.692 -1.590 339 HE2 LYS 48 1HE LYS 48 119.326 15.787 -3.131 340 HE3 LYS 48 2HE LYS 48 118.442 16.769 -1.964 341 HZ1 LYS 48 3HZ LYS 48 118.814 14.825 -0.386 342 HZ2 LYS 48 1HZ LYS 48 120.154 15.803 -0.740 343 HZ3 LYS 48 2HZ LYS 48 119.984 14.292 -1.496 344 H SER 49 H SER 49 116.522 12.560 -6.815 345 HA SER 49 HA SER 49 119.387 12.629 -7.484 346 HB2 SER 49 1HB SER 49 119.065 11.506 -9.577 347 HB3 SER 49 2HB SER 49 118.342 10.491 -8.335 348 HG SER 49 HG SER 49 117.140 11.170 -10.424 349 H ARG 50 H ARG 50 119.658 14.763 -7.749 350 HA ARG 50 HA ARG 50 117.902 16.148 -9.680 351 HB2 ARG 50 1HB ARG 50 118.948 17.311 -7.088 352 HB3 ARG 50 2HB ARG 50 117.988 18.165 -8.294 353 HG2 ARG 50 1HG ARG 50 117.048 15.677 -6.845 354 HG3 ARG 50 2HG ARG 50 116.652 17.317 -6.338 355 HD2 ARG 50 1HD ARG 50 115.656 17.716 -8.602 356 HD3 ARG 50 2HD ARG 50 115.935 16.021 -8.984 357 HE ARG 50 HE ARG 50 114.529 15.914 -6.657 358 HH11 ARG 50 1HH1 ARG 50 113.926 17.521 -9.720 359 HH12 ARG 50 2HH1 ARG 50 112.205 17.428 -9.544 360 HH21 ARG 50 1HH2 ARG 50 112.306 15.821 -6.490 361 HH22 ARG 50 2HH2 ARG 50 111.302 16.479 -7.738 362 H THR 51 H THR 51 118.884 17.853 -10.829 363 HA THR 51 HA THR 51 121.847 17.884 -10.741 364 HB THR 51 HB THR 51 121.822 18.326 -13.141 365 HG1 THR 51 HG1 THR 51 119.039 17.883 -13.087 366 HG21 THR 51 3HG2 THR 51 120.033 15.970 -12.487 367 HG22 THR 51 1HG2 THR 51 121.788 15.966 -12.326 368 HG23 THR 51 2HG2 THR 51 121.049 16.153 -13.917 369 H ALA 52 H ALA 52 122.773 19.961 -11.586 370 HA ALA 52 HA ALA 52 121.844 22.131 -10.076 371 HB1 ALA 52 1HB ALA 52 124.113 22.200 -10.715 372 HB2 ALA 52 2HB ALA 52 123.359 23.477 -11.667 373 HB3 ALA 52 3HB ALA 52 123.732 21.925 -12.416 374 H SER 53 H SER 53 119.701 22.619 -10.421 375 HA SER 53 HA SER 53 119.029 23.747 -13.078 376 HB2 SER 53 1HB SER 53 117.188 22.246 -11.198 377 HB3 SER 53 2HB SER 53 116.722 22.987 -12.725 378 HG SER 53 HG SER 53 117.701 20.579 -12.327 379 H SER 54 H SER 54 117.854 25.634 -13.102 380 HA SER 54 HA SER 54 118.154 27.390 -10.897 381 HB2 SER 54 1HB SER 54 116.957 28.998 -12.250 382 HB3 SER 54 2HB SER 54 118.062 28.096 -13.281 383 HG SER 54 HG SER 54 116.249 27.855 -14.382 384 H GLY 55 H GLY 55 115.547 25.245 -11.833 385 HA2 GLY 55 1HA GLY 55 113.455 26.629 -10.470 386 HA3 GLY 55 2HA GLY 55 113.400 24.967 -11.041 387 H ASP 56 H ASP 56 115.473 23.811 -9.612 388 HA ASP 56 HA ASP 56 115.403 24.430 -6.835 389 HB2 ASP 56 1HB ASP 56 114.096 22.441 -6.096 390 HB3 ASP 56 2HB ASP 56 113.122 23.647 -6.930 391 H TYR 57 H TYR 57 116.641 22.950 -5.551 392 HA TYR 57 HA TYR 57 117.977 20.754 -6.938 393 HB2 TYR 57 1HB TYR 57 119.291 22.830 -7.411 394 HB3 TYR 57 2HB TYR 57 119.546 23.007 -5.686 395 HD1 TYR 57 HD1 TYR 57 120.086 20.654 -8.534 396 HD2 TYR 57 HD2 TYR 57 121.368 21.944 -4.644 397 HE1 TYR 57 HE1 TYR 57 122.079 19.187 -8.707 398 HE2 TYR 57 HE2 TYR 57 123.360 20.475 -4.815 399 HH TYR 57 HH TYR 57 124.738 19.463 -6.745 400 H ASN 58 H ASN 58 118.756 19.181 -5.560 401 HA ASN 58 HA ASN 58 118.967 17.963 -3.638 402 HB2 ASN 58 1HB ASN 58 119.463 20.720 -2.510 403 HB3 ASN 58 2HB ASN 58 119.654 19.237 -1.580 404 HD21 ASN 58 1HD2 ASN 58 121.881 20.938 -2.056 405 HD22 ASN 58 2HD2 ASN 58 122.959 20.143 -3.097 406 H LYS 59 H LYS 59 116.709 17.360 -3.809 407 HA LYS 59 HA LYS 59 114.730 18.724 -2.234 408 HB2 LYS 59 1HB LYS 59 114.705 15.886 -3.292 409 HB3 LYS 59 2HB LYS 59 113.316 16.790 -2.692 410 HG2 LYS 59 1HG LYS 59 115.013 17.620 -5.063 411 HG3 LYS 59 2HG LYS 59 113.457 16.799 -5.183 412 HD2 LYS 59 1HD LYS 59 112.451 18.700 -3.857 413 HD3 LYS 59 2HD LYS 59 113.992 19.542 -4.013 414 HE2 LYS 59 1HE LYS 59 113.813 19.630 -6.395 415 HE3 LYS 59 2HE LYS 59 112.449 18.511 -6.398 416 HZ1 LYS 59 3HZ LYS 59 111.469 20.375 -4.827 417 HZ2 LYS 59 1HZ LYS 59 111.316 20.448 -6.514 418 HZ3 LYS 59 2HZ LYS 59 112.525 21.349 -5.732 419 H ASN 60 H ASN 60 113.467 17.058 -0.655 420 HA ASN 60 HA ASN 60 115.325 16.906 1.570 421 HB2 ASN 60 1HB ASN 60 112.359 16.323 1.525 422 HB3 ASN 60 2HB ASN 60 113.355 16.613 2.948 423 HD21 ASN 60 1HD2 ASN 60 114.880 18.863 1.908 424 HD22 ASN 60 2HD2 ASN 60 113.804 20.161 1.713 425 H GLN 61 H GLN 61 115.478 15.095 2.987 426 HA GLN 61 HA GLN 61 114.928 12.474 1.713 427 HB2 GLN 61 1HB GLN 61 117.417 13.312 3.227 428 HB3 GLN 61 2HB GLN 61 117.055 11.660 2.727 429 HG2 GLN 61 1HG GLN 61 117.029 12.341 0.379 430 HG3 GLN 61 2HG GLN 61 117.299 14.020 0.839 431 HE21 GLN 61 1HE2 GLN 61 119.111 12.580 -0.877 432 HE22 GLN 61 2HE2 GLN 61 120.586 12.410 -0.052 433 H TYR 62 H TYR 62 114.699 10.685 3.350 434 HA TYR 62 HA TYR 62 114.260 11.601 6.078 435 HB2 TYR 62 1HB TYR 62 111.973 10.959 6.235 436 HB3 TYR 62 2HB TYR 62 112.142 12.101 4.919 437 HD1 TYR 62 HD1 TYR 62 111.556 8.560 5.804 438 HD2 TYR 62 HD2 TYR 62 111.660 11.467 2.642 439 HE1 TYR 62 HE1 TYR 62 110.394 6.967 4.299 440 HE2 TYR 62 HE2 TYR 62 110.503 9.872 1.136 441 HH TYR 62 HH TYR 62 109.242 6.807 2.328 442 H TYR 63 H TYR 63 113.925 9.968 7.592 443 HA TYR 63 HA TYR 63 114.681 7.245 6.706 444 HB2 TYR 63 1HB TYR 63 115.601 8.653 9.219 445 HB3 TYR 63 2HB TYR 63 116.009 7.015 8.744 446 HD1 TYR 63 HD1 TYR 63 116.611 10.590 8.142 447 HD2 TYR 63 HD2 TYR 63 117.627 6.588 6.958 448 HE1 TYR 63 HE1 TYR 63 118.588 11.454 6.915 449 HE2 TYR 63 HE2 TYR 63 119.604 7.452 5.734 450 HH TYR 63 HH TYR 63 120.009 10.578 4.874 451 H GLY 64 H GLY 64 113.574 5.579 7.715 452 HA2 GLY 64 1HA GLY 64 111.509 6.370 9.691 453 HA3 GLY 64 2HA GLY 64 111.095 5.409 8.278 454 H ILE 65 H ILE 65 111.232 5.012 11.347 455 HA ILE 65 HA ILE 65 112.453 2.309 11.193 456 HB ILE 65 HB ILE 65 112.121 4.042 13.661 457 HG12 ILE 65 1HG1 ILE 65 114.658 3.282 12.180 458 HG13 ILE 65 2HG1 ILE 65 113.874 4.856 12.052 459 HG21 ILE 65 1HG2 ILE 65 112.009 1.551 13.976 460 HG22 ILE 65 2HG2 ILE 65 113.385 2.301 14.785 461 HG23 ILE 65 3HG2 ILE 65 113.618 1.436 13.267 462 HD11 ILE 65 3HD1 ILE 65 115.080 3.598 14.527 463 HD12 ILE 65 1HD1 ILE 65 114.057 5.033 14.577 464 HD13 ILE 65 2HD1 ILE 65 115.593 5.077 13.714 465 H THR 66 H THR 66 110.912 0.768 11.186 466 HA THR 66 HA THR 66 108.317 1.384 12.503 467 HB THR 66 HB THR 66 107.125 0.314 10.760 468 HG1 THR 66 HG1 THR 66 108.233 -0.753 9.072 469 HG21 THR 66 3HG2 THR 66 108.782 1.455 8.724 470 HG22 THR 66 1HG2 THR 66 108.804 2.529 10.124 471 HG23 THR 66 2HG2 THR 66 107.270 2.072 9.385 472 H ALA 67 H ALA 67 107.246 -0.336 13.501 473 HA ALA 67 HA ALA 67 108.520 -2.969 13.536 474 HB1 ALA 67 1HB ALA 67 109.326 -1.370 15.489 475 HB2 ALA 67 2HB ALA 67 108.934 -3.059 15.816 476 HB3 ALA 67 3HB ALA 67 107.761 -1.794 16.184 477 H GLY 68 H GLY 68 107.009 -4.651 14.142 478 HA2 GLY 68 1HA GLY 68 104.339 -3.950 14.952 479 HA3 GLY 68 2HA GLY 68 104.433 -4.323 13.240 480 HA PRO 69 HA PRO 69 104.266 -8.408 15.394 481 HB2 PRO 69 1HB PRO 69 101.593 -8.783 15.885 482 HB3 PRO 69 2HB PRO 69 102.709 -8.041 17.042 483 HG2 PRO 69 1HG PRO 69 100.536 -6.825 15.603 484 HG3 PRO 69 2HG PRO 69 101.553 -6.140 16.878 485 HD2 PRO 69 1HD PRO 69 101.762 -5.795 13.958 486 HD3 PRO 69 2HD PRO 69 102.457 -4.806 15.265 487 H ALA 70 H ALA 70 104.464 -9.942 13.913 488 HA ALA 70 HA ALA 70 102.822 -10.139 11.542 489 HB1 ALA 70 1HB ALA 70 104.164 -12.137 11.063 490 HB2 ALA 70 2HB ALA 70 104.885 -12.046 12.670 491 HB3 ALA 70 3HB ALA 70 105.202 -10.777 11.488 492 H TYR 71 H TYR 71 101.185 -11.569 11.168 493 HA TYR 71 HA TYR 71 100.412 -13.428 13.324 494 HB2 TYR 71 1HB TYR 71 98.540 -11.660 11.739 495 HB3 TYR 71 2HB TYR 71 98.057 -12.877 12.904 496 HD1 TYR 71 HD1 TYR 71 99.492 -9.529 12.427 497 HD2 TYR 71 HD2 TYR 71 98.303 -12.487 15.306 498 HE1 TYR 71 HE1 TYR 71 99.591 -7.822 14.223 499 HE2 TYR 71 HE2 TYR 71 98.405 -10.780 17.102 500 HH TYR 71 HH TYR 71 98.288 -7.677 16.695 501 H ARG 72 H ARG 72 99.039 -15.216 12.512 502 HA ARG 72 HA ARG 72 99.698 -15.845 9.698 503 HB2 ARG 72 1HB ARG 72 98.818 -17.693 11.929 504 HB3 ARG 72 2HB ARG 72 99.330 -18.176 10.313 505 HG2 ARG 72 1HG ARG 72 101.084 -16.652 12.258 506 HG3 ARG 72 2HG ARG 72 101.131 -18.402 12.049 507 HD2 ARG 72 1HD ARG 72 101.620 -18.040 9.616 508 HD3 ARG 72 2HD ARG 72 101.722 -16.312 9.937 509 HE ARG 72 HE ARG 72 103.722 -18.278 10.521 510 HH11 ARG 72 1HH1 ARG 72 102.413 -15.224 11.656 511 HH12 ARG 72 2HH1 ARG 72 103.892 -14.765 12.432 512 HH21 ARG 72 1HH2 ARG 72 105.597 -17.632 11.538 513 HH22 ARG 72 2HH2 ARG 72 105.672 -16.112 12.365 514 H ILE 73 H ILE 73 98.097 -15.140 8.435 515 HA ILE 73 HA ILE 73 95.329 -15.854 9.084 516 HB ILE 73 HB ILE 73 95.739 -13.585 8.207 517 HG12 ILE 73 1HG1 ILE 73 94.282 -15.177 6.101 518 HG13 ILE 73 2HG1 ILE 73 93.636 -15.001 7.733 519 HG21 ILE 73 1HG2 ILE 73 96.341 -14.754 5.509 520 HG22 ILE 73 2HG2 ILE 73 97.658 -14.516 6.654 521 HG23 ILE 73 3HG2 ILE 73 96.690 -13.142 6.128 522 HD11 ILE 73 3HD1 ILE 73 94.036 -12.458 7.384 523 HD12 ILE 73 1HD1 ILE 73 92.657 -13.201 6.576 524 HD13 ILE 73 2HD1 ILE 73 94.131 -12.862 5.670 525 H ASN 74 H ASN 74 94.284 -17.533 8.128 526 HA ASN 74 HA ASN 74 95.827 -19.584 6.967 527 HB2 ASN 74 1HB ASN 74 92.827 -19.199 6.929 528 HB3 ASN 74 2HB ASN 74 93.672 -20.704 6.568 529 HD21 ASN 74 1HD2 ASN 74 95.642 -20.739 8.577 530 HD22 ASN 74 2HD2 ASN 74 94.891 -20.814 10.099 531 H ASP 75 H ASP 75 93.932 -16.998 5.496 532 HA ASP 75 HA ASP 75 93.651 -18.039 2.912 533 HB2 ASP 75 1HB ASP 75 92.579 -15.950 3.821 534 HB3 ASP 75 2HB ASP 75 94.126 -15.134 3.595 535 H TRP 76 H TRP 76 96.377 -16.362 4.415 536 HA TRP 76 HA TRP 76 98.003 -16.957 2.009 537 HB2 TRP 76 1HB TRP 76 98.206 -14.526 3.793 538 HB3 TRP 76 2HB TRP 76 99.250 -14.892 2.432 539 HD1 TRP 76 HD1 TRP 76 96.308 -12.948 3.313 540 HE1 TRP 76 HE1 TRP 76 95.019 -12.189 1.217 541 HE3 TRP 76 HE3 TRP 76 98.470 -15.968 -0.191 542 HZ2 TRP 76 HZ2 TRP 76 94.915 -12.786 -1.584 543 HZ3 TRP 76 HZ3 TRP 76 97.759 -15.854 -2.558 544 HH2 TRP 76 HH2 TRP 76 95.989 -14.271 -3.261 545 H ALA 77 H ALA 77 100.502 -16.318 2.950 546 HA ALA 77 HA ALA 77 100.829 -18.273 5.141 547 HB1 ALA 77 1HB ALA 77 102.121 -18.989 3.345 548 HB2 ALA 77 2HB ALA 77 103.291 -18.105 4.325 549 HB3 ALA 77 3HB ALA 77 102.587 -17.349 2.896 550 H SER 78 H SER 78 101.301 -14.862 4.428 551 HA SER 78 HA SER 78 101.943 -14.526 7.263 552 HB2 SER 78 1HB SER 78 104.120 -14.586 5.972 553 HB3 SER 78 2HB SER 78 103.582 -13.123 5.154 554 HG SER 78 HG SER 78 104.698 -12.424 6.906 555 H ILE 79 H ILE 79 100.861 -12.811 8.141 556 HA ILE 79 HA ILE 79 100.366 -10.495 6.391 557 HB ILE 79 HB ILE 79 98.237 -11.740 6.514 558 HG12 ILE 79 1HG1 ILE 79 98.043 -9.304 8.291 559 HG13 ILE 79 2HG1 ILE 79 98.403 -9.179 6.569 560 HG21 ILE 79 1HG2 ILE 79 98.675 -12.832 8.718 561 HG22 ILE 79 2HG2 ILE 79 97.095 -12.054 8.638 562 HG23 ILE 79 3HG2 ILE 79 98.413 -11.275 9.505 563 HD11 ILE 79 3HD1 ILE 79 96.321 -10.189 5.963 564 HD12 ILE 79 1HD1 ILE 79 95.938 -8.981 7.189 565 HD13 ILE 79 2HD1 ILE 79 96.004 -10.689 7.625 566 H TYR 80 H TYR 80 101.089 -8.656 7.352 567 HA TYR 80 HA TYR 80 101.181 -8.570 10.298 568 HB2 TYR 80 1HB TYR 80 103.457 -7.831 10.338 569 HB3 TYR 80 2HB TYR 80 103.374 -9.357 9.482 570 HD1 TYR 80 HD1 TYR 80 103.857 -5.709 9.138 571 HD2 TYR 80 HD2 TYR 80 103.956 -9.511 7.142 572 HE1 TYR 80 HE1 TYR 80 105.046 -4.673 7.224 573 HE2 TYR 80 HE2 TYR 80 105.143 -8.475 5.229 574 HH TYR 80 HH TYR 80 106.547 -5.393 5.387 575 H GLY 81 H GLY 81 101.219 -6.554 11.225 576 HA2 GLY 81 1HA GLY 81 100.765 -4.245 9.405 577 HA3 GLY 81 2HA GLY 81 99.880 -4.452 10.918 578 H VAL 82 H VAL 82 101.921 -2.363 9.912 579 HA VAL 82 HA VAL 82 103.752 -2.529 12.218 580 HB VAL 82 HB VAL 82 104.790 -3.571 10.205 581 HG11 VAL 82 1HG1 VAL 82 105.511 -2.097 8.358 582 HG12 VAL 82 2HG1 VAL 82 104.592 -0.770 9.070 583 HG13 VAL 82 3HG1 VAL 82 103.753 -2.200 8.467 584 HG21 VAL 82 3HG2 VAL 82 106.425 -2.858 11.657 585 HG22 VAL 82 1HG2 VAL 82 105.905 -1.176 11.599 586 HG23 VAL 82 2HG2 VAL 82 106.827 -1.861 10.264 587 H VAL 83 H VAL 83 104.406 -0.572 13.053 588 HA VAL 83 HA VAL 83 103.414 1.874 11.710 589 HB VAL 83 HB VAL 83 103.388 1.325 14.695 590 HG11 VAL 83 1HG1 VAL 83 102.336 3.490 14.895 591 HG12 VAL 83 2HG1 VAL 83 102.253 3.667 13.143 592 HG13 VAL 83 3HG1 VAL 83 103.816 3.702 13.959 593 HG21 VAL 83 3HG2 VAL 83 101.057 1.071 14.570 594 HG22 VAL 83 1HG2 VAL 83 101.605 0.191 13.145 595 HG23 VAL 83 2HG2 VAL 83 100.967 1.824 12.980 596 H GLY 84 H GLY 84 104.876 3.605 11.752 597 HA2 GLY 84 1HA GLY 84 107.340 3.268 13.308 598 HA3 GLY 84 2HA GLY 84 107.492 3.329 11.557 599 H VAL 85 H VAL 85 108.829 5.168 12.897 600 HA VAL 85 HA VAL 85 107.235 7.656 12.587 601 HB VAL 85 HB VAL 85 109.745 7.240 14.240 602 HG11 VAL 85 1HG1 VAL 85 109.047 9.498 15.146 603 HG12 VAL 85 2HG1 VAL 85 107.866 9.581 13.839 604 HG13 VAL 85 3HG1 VAL 85 109.587 9.517 13.467 605 HG21 VAL 85 3HG2 VAL 85 106.811 7.352 14.975 606 HG22 VAL 85 1HG2 VAL 85 108.088 7.678 16.146 607 HG23 VAL 85 2HG2 VAL 85 107.982 6.095 15.375 608 H GLY 86 H GLY 86 107.843 8.955 10.959 609 HA2 GLY 86 1HA GLY 86 110.492 8.457 9.694 610 HA3 GLY 86 2HA GLY 86 109.055 8.977 8.819 611 H TYR 87 H TYR 87 111.896 10.095 9.580 612 HA TYR 87 HA TYR 87 110.972 12.808 10.338 613 HB2 TYR 87 1HB TYR 87 113.683 11.550 10.785 614 HB3 TYR 87 2HB TYR 87 113.208 13.170 11.255 615 HD1 TYR 87 HD1 TYR 87 111.574 13.505 13.102 616 HD2 TYR 87 HD2 TYR 87 113.083 9.619 12.070 617 HE1 TYR 87 HE1 TYR 87 110.793 12.623 15.285 618 HE2 TYR 87 HE2 TYR 87 112.302 8.736 14.253 619 HH TYR 87 HH TYR 87 110.957 9.181 16.039 620 H GLY 88 H GLY 88 111.619 14.505 9.078 621 HA2 GLY 88 1HA GLY 88 113.023 13.807 6.564 622 HA3 GLY 88 2HA GLY 88 111.824 15.086 6.724 623 H LYS 89 H LYS 89 114.604 15.201 5.739 624 HA LYS 89 HA LYS 89 115.554 17.351 7.530 625 HB2 LYS 89 1HB LYS 89 116.935 15.288 7.828 626 HB3 LYS 89 2HB LYS 89 117.336 15.354 6.112 627 HG2 LYS 89 1HG LYS 89 118.271 17.638 6.446 628 HG3 LYS 89 2HG LYS 89 117.944 17.494 8.173 629 HD2 LYS 89 1HD LYS 89 119.378 15.436 8.215 630 HD3 LYS 89 2HD LYS 89 119.802 15.751 6.532 631 HE2 LYS 89 1HE LYS 89 120.166 17.878 8.635 632 HE3 LYS 89 2HE LYS 89 121.400 16.645 8.371 633 HZ1 LYS 89 3HZ LYS 89 121.785 17.369 6.225 634 HZ2 LYS 89 1HZ LYS 89 121.541 18.826 7.058 635 HZ3 LYS 89 2HZ LYS 89 120.294 18.175 6.106 636 H PHE 90 H PHE 90 116.108 19.190 6.507 637 HA PHE 90 HA PHE 90 115.819 19.233 3.573 638 HB2 PHE 90 1HB PHE 90 115.648 21.443 5.625 639 HB3 PHE 90 2HB PHE 90 115.486 21.671 3.895 640 HD1 PHE 90 HD1 PHE 90 114.032 19.634 6.686 641 HD2 PHE 90 HD2 PHE 90 113.347 21.676 2.972 642 HE1 PHE 90 HE1 PHE 90 111.604 19.163 6.877 643 HE2 PHE 90 HE2 PHE 90 110.920 21.203 3.159 644 HZ PHE 90 HZ PHE 90 110.049 19.947 5.111 645 H GLN 91 H GLN 91 117.436 19.919 2.268 646 HA GLN 91 HA GLN 91 120.029 20.510 3.543 647 HB2 GLN 91 1HB GLN 91 119.347 19.599 0.738 648 HB3 GLN 91 2HB GLN 91 120.978 19.948 1.313 649 HG2 GLN 91 1HG GLN 91 120.785 18.208 3.018 650 HG3 GLN 91 2HG GLN 91 119.119 17.892 2.539 651 HE21 GLN 91 1HE2 GLN 91 121.108 15.836 2.461 652 HE22 GLN 91 2HE2 GLN 91 121.383 15.420 0.840 653 H THR 92 H THR 92 121.238 22.305 2.945 654 HA THR 92 HA THR 92 119.665 24.530 1.895 655 HB THR 92 HB THR 92 122.506 24.595 2.925 656 HG1 THR 92 HG1 THR 92 121.646 24.138 4.771 657 HG21 THR 92 3HG2 THR 92 120.472 26.783 3.170 658 HG22 THR 92 1HG2 THR 92 121.273 26.536 1.618 659 HG23 THR 92 2HG2 THR 92 122.227 26.898 3.056 660 H THR 93 H THR 93 120.025 25.540 -0.017 661 HA THR 93 HA THR 93 122.013 24.311 -1.820 662 HB THR 93 HB THR 93 120.662 25.245 -3.641 663 HG1 THR 93 HG1 THR 93 118.530 26.071 -2.803 664 HG21 THR 93 3HG2 THR 93 120.051 23.037 -2.904 665 HG22 THR 93 1HG2 THR 93 118.554 23.933 -3.158 666 HG23 THR 93 2HG2 THR 93 119.165 23.682 -1.524 667 H GLU 94 H GLU 94 122.608 26.465 0.205 668 HA GLU 94 HA GLU 94 123.731 28.463 0.350 669 HB2 GLU 94 1HB GLU 94 124.713 27.518 -2.348 670 HB3 GLU 94 2HB GLU 94 125.467 28.785 -1.380 671 HG2 GLU 94 1HG GLU 94 125.053 25.919 -0.486 672 HG3 GLU 94 2HG GLU 94 126.576 26.590 -1.054 673 H TYR 95 H TYR 95 121.029 28.537 -1.010 674 HA TYR 95 HA TYR 95 121.413 30.914 -2.712 675 HB2 TYR 95 1HB TYR 95 119.454 28.718 -2.643 676 HB3 TYR 95 2HB TYR 95 118.758 30.298 -2.936 677 HD1 TYR 95 HD1 TYR 95 119.884 31.725 -4.815 678 HD2 TYR 95 HD2 TYR 95 120.369 27.480 -4.386 679 HE1 TYR 95 HE1 TYR 95 120.567 31.564 -7.194 680 HE2 TYR 95 HE2 TYR 95 121.051 27.318 -6.764 681 HH TYR 95 HH TYR 95 120.998 30.164 -8.889 682 HA PRO 96 HA PRO 96 118.317 32.577 0.414 683 HB2 PRO 96 1HB PRO 96 117.413 31.072 2.502 684 HB3 PRO 96 2HB PRO 96 116.645 31.084 0.904 685 HG2 PRO 96 1HG PRO 96 118.315 29.026 2.167 686 HG3 PRO 96 2HG PRO 96 117.075 28.873 0.916 687 HD2 PRO 96 1HD PRO 96 119.877 28.854 0.520 688 HD3 PRO 96 2HD PRO 96 118.621 28.931 -0.732 689 H THR 97 H THR 97 119.737 30.238 2.719 690 HA THR 97 HA THR 97 121.319 32.449 3.895 691 HB THR 97 HB THR 97 120.917 31.495 6.104 692 HG1 THR 97 HG1 THR 97 119.157 29.711 4.788 693 HG21 THR 97 3HG2 THR 97 118.617 32.141 6.356 694 HG22 THR 97 1HG2 THR 97 118.268 31.775 4.667 695 HG23 THR 97 2HG2 THR 97 119.297 33.148 5.078 696 H TYR 98 H TYR 98 123.203 31.690 5.142 697 HA TYR 98 HA TYR 98 124.853 30.003 3.632 698 HB2 TYR 98 1HB TYR 98 125.664 31.714 5.224 699 HB3 TYR 98 2HB TYR 98 125.104 30.720 6.555 700 HD1 TYR 98 HD1 TYR 98 127.566 30.995 3.809 701 HD2 TYR 98 HD2 TYR 98 126.356 28.797 7.296 702 HE1 TYR 98 HE1 TYR 98 129.741 29.803 3.814 703 HE2 TYR 98 HE2 TYR 98 128.531 27.606 7.302 704 HH TYR 98 HH TYR 98 131.142 28.544 5.958 705 H LYS 99 H LYS 99 122.933 29.352 6.542 706 HA LYS 99 HA LYS 99 123.214 26.466 5.997 707 HB2 LYS 99 1HB LYS 99 124.780 27.120 7.823 708 HB3 LYS 99 2HB LYS 99 123.401 27.707 8.751 709 HG2 LYS 99 1HG LYS 99 122.389 25.437 8.634 710 HG3 LYS 99 2HG LYS 99 123.830 24.863 7.793 711 HD2 LYS 99 1HD LYS 99 125.204 25.617 9.750 712 HD3 LYS 99 2HD LYS 99 123.706 26.004 10.597 713 HE2 LYS 99 1HE LYS 99 123.056 23.758 10.747 714 HE3 LYS 99 2HE LYS 99 124.099 23.269 9.412 715 HZ1 LYS 99 3HZ LYS 99 125.024 24.186 12.082 716 HZ2 LYS 99 1HZ LYS 99 126.025 23.708 10.798 717 HZ3 LYS 99 2HZ LYS 99 125.001 22.575 11.543 718 H HIS 100 H HIS 100 121.311 25.472 5.927 719 HA HIS 100 HA HIS 100 119.053 26.560 7.488 720 HB2 HIS 100 1HB HIS 100 118.812 27.335 5.174 721 HB3 HIS 100 2HB HIS 100 118.959 25.686 4.597 722 HD1 HIS 100 HD1 HIS 100 116.886 24.179 4.764 723 HD2 HIS 100 HD2 HIS 100 116.305 27.959 6.425 724 HE1 HIS 100 HE1 HIS 100 114.403 24.395 5.201 725 H ASP 101 H ASP 101 117.909 25.037 8.548 726 HA ASP 101 HA ASP 101 117.864 22.283 7.632 727 HB2 ASP 101 1HB ASP 101 118.777 21.371 9.731 728 HB3 ASP 101 2HB ASP 101 119.974 22.339 8.872 729 H THR 102 H THR 102 115.854 21.606 7.923 730 HA THR 102 HA THR 102 114.357 22.521 10.311 731 HB THR 102 HB THR 102 113.195 22.014 7.562 732 HG1 THR 102 HG1 THR 102 113.513 24.471 8.926 733 HG21 THR 102 3HG2 THR 102 111.985 23.234 10.058 734 HG22 THR 102 1HG2 THR 102 111.702 21.581 9.515 735 HG23 THR 102 2HG2 THR 102 111.158 22.937 8.528 736 H SER 103 H SER 103 113.192 20.973 11.389 737 HA SER 103 HA SER 103 113.356 18.204 10.335 738 HB2 SER 103 1HB SER 103 113.584 19.102 13.217 739 HB3 SER 103 2HB SER 103 113.615 17.438 12.648 740 HG SER 103 HG SER 103 115.639 19.075 12.879 741 H ASP 104 H ASP 104 111.584 16.921 10.548 742 HA ASP 104 HA ASP 104 109.366 17.670 12.251 743 HB2 ASP 104 1HB ASP 104 107.713 17.716 10.412 744 HB3 ASP 104 2HB ASP 104 108.864 19.040 10.302 745 H TYR 105 H TYR 105 107.724 15.953 12.327 746 HA TYR 105 HA TYR 105 108.712 13.365 11.296 747 HB2 TYR 105 1HB TYR 105 108.379 12.317 13.421 748 HB3 TYR 105 2HB TYR 105 109.435 13.696 13.639 749 HD1 TYR 105 HD2 TYR 105 108.688 15.672 14.878 750 HD2 TYR 105 HD1 TYR 105 106.116 12.276 14.326 751 HE1 TYR 105 HE2 TYR 105 107.176 16.530 16.645 752 HE2 TYR 105 HE1 TYR 105 104.603 13.134 16.094 753 HH TYR 105 HH TYR 105 105.062 16.317 17.517 754 H GLY 106 H GLY 106 107.169 11.760 10.980 755 HA2 GLY 106 1HA GLY 106 104.347 12.447 11.459 756 HA3 GLY 106 2HA GLY 106 104.848 12.013 9.825 757 H PHE 107 H PHE 107 102.938 10.469 11.083 758 HA PHE 107 HA PHE 107 104.402 8.073 12.025 759 HB2 PHE 107 1HB PHE 107 101.507 8.878 12.322 760 HB3 PHE 107 2HB PHE 107 102.162 7.332 12.830 761 HD1 PHE 107 HD1 PHE 107 103.630 7.168 14.782 762 HD2 PHE 107 HD2 PHE 107 102.001 10.937 13.524 763 HE1 PHE 107 HE1 PHE 107 104.263 8.169 16.962 764 HE2 PHE 107 HE2 PHE 107 102.630 11.937 15.704 765 HZ PHE 107 HZ PHE 107 103.761 10.554 17.423 766 H SER 108 H SER 108 104.583 6.400 10.675 767 HA SER 108 HA SER 108 102.810 6.329 8.296 768 HB2 SER 108 1HB SER 108 104.540 5.089 7.190 769 HB3 SER 108 2HB SER 108 105.295 6.485 7.950 770 HG SER 108 HG SER 108 105.963 5.144 9.631 771 H TYR 109 H TYR 109 101.703 4.501 7.748 772 HA TYR 109 HA TYR 109 101.843 2.187 9.592 773 HB2 TYR 109 1HB TYR 109 99.863 3.509 10.157 774 HB3 TYR 109 2HB TYR 109 99.357 3.506 8.479 775 HD1 TYR 109 HD1 TYR 109 99.692 1.497 11.553 776 HD2 TYR 109 HD2 TYR 109 98.328 1.544 7.482 777 HE1 TYR 109 HE1 TYR 109 98.429 -0.600 11.952 778 HE2 TYR 109 HE2 TYR 109 97.065 -0.551 7.880 779 HH TYR 109 HH TYR 109 97.596 -2.581 10.320 780 H GLY 110 H GLY 110 101.818 0.196 8.558 781 HA2 GLY 110 1HA GLY 110 101.084 0.111 5.721 782 HA3 GLY 110 2HA GLY 110 102.748 -0.283 6.130 783 H ALA 111 H ALA 111 101.183 -2.089 4.843 784 HA ALA 111 HA ALA 111 101.156 -4.264 6.811 785 HB1 ALA 111 1HB ALA 111 98.917 -4.116 4.813 786 HB2 ALA 111 2HB ALA 111 98.778 -3.266 6.352 787 HB3 ALA 111 3HB ALA 111 98.998 -5.014 6.328 788 H GLY 112 H GLY 112 101.581 -6.312 5.875 789 HA2 GLY 112 1HA GLY 112 102.149 -6.376 2.996 790 HA3 GLY 112 2HA GLY 112 103.510 -6.615 4.081 791 H LEU 113 H LEU 113 102.724 -8.485 2.200 792 HA LEU 113 HA LEU 113 101.942 -10.735 3.943 793 HB2 LEU 113 1HB LEU 113 101.017 -10.378 1.079 794 HB3 LEU 113 2HB LEU 113 100.651 -11.739 2.137 795 HG LEU 113 HG LEU 113 99.745 -9.783 3.729 796 HD11 LEU 113 1HD1 LEU 113 100.183 -7.849 2.473 797 HD12 LEU 113 2HD1 LEU 113 98.498 -8.186 2.082 798 HD13 LEU 113 3HD1 LEU 113 99.771 -8.634 0.948 799 HD21 LEU 113 3HD2 LEU 113 98.005 -10.514 1.387 800 HD22 LEU 113 1HD2 LEU 113 97.581 -10.413 3.097 801 HD23 LEU 113 2HD2 LEU 113 98.544 -11.767 2.506 802 H GLN 114 H GLN 114 102.868 -12.803 3.239 803 HA GLN 114 HA GLN 114 105.199 -12.445 1.428 804 HB2 GLN 114 1HB GLN 114 105.138 -13.977 4.036 805 HB3 GLN 114 2HB GLN 114 106.488 -13.925 2.908 806 HG2 GLN 114 1HG GLN 114 106.694 -11.514 3.197 807 HG3 GLN 114 2HG GLN 114 105.284 -11.493 4.253 808 HE21 GLN 114 1HE2 GLN 114 107.840 -10.557 5.145 809 HE22 GLN 114 2HE2 GLN 114 108.402 -11.612 6.351 810 H PHE 115 H PHE 115 105.736 -14.089 0.125 811 HA PHE 115 HA PHE 115 104.372 -16.694 0.465 812 HB2 PHE 115 1HB PHE 115 105.147 -15.370 -2.150 813 HB3 PHE 115 2HB PHE 115 104.459 -16.974 -1.981 814 HD1 PHE 115 HD1 PHE 115 102.085 -17.229 -1.193 815 HD2 PHE 115 HD2 PHE 115 103.799 -13.409 -2.150 816 HE1 PHE 115 HE1 PHE 115 99.813 -16.249 -1.353 817 HE2 PHE 115 HE2 PHE 115 101.527 -12.429 -2.310 818 HZ PHE 115 HZ PHE 115 99.533 -13.849 -1.911 819 H ASN 116 H ASN 116 105.982 -18.085 1.140 820 HA ASN 116 HA ASN 116 108.757 -17.319 0.410 821 HB2 ASN 116 1HB ASN 116 109.406 -18.087 2.649 822 HB3 ASN 116 2HB ASN 116 108.258 -16.751 2.702 823 HD21 ASN 116 1HD2 ASN 116 108.691 -20.172 3.419 824 HD22 ASN 116 2HD2 ASN 116 107.194 -20.383 4.194 825 HA PRO 117 HA PRO 117 109.480 -21.761 0.062 826 HB2 PRO 117 1HB PRO 117 111.426 -21.429 -1.962 827 HB3 PRO 117 2HB PRO 117 109.748 -21.942 -2.202 828 HG2 PRO 117 1HG PRO 117 110.905 -19.567 -3.104 829 HG3 PRO 117 2HG PRO 117 109.181 -19.963 -3.074 830 HD2 PRO 117 1HD PRO 117 110.761 -18.323 -1.132 831 HD3 PRO 117 2HD PRO 117 109.068 -18.137 -1.656 832 H MET 118 H MET 118 111.823 -22.797 0.171 833 HA MET 118 HA MET 118 113.130 -21.648 2.404 834 HB2 MET 118 1HB MET 118 113.078 -24.098 1.714 835 HB3 MET 118 2HB MET 118 114.324 -23.694 0.532 836 HG2 MET 118 1HG MET 118 115.693 -22.736 2.419 837 HG3 MET 118 2HG MET 118 114.496 -23.382 3.541 838 HE1 MET 118 3HE MET 118 113.585 -25.551 3.412 839 HE2 MET 118 1HE MET 118 114.578 -27.014 3.394 840 HE3 MET 118 2HE MET 118 113.836 -26.431 1.906 841 H GLU 119 H GLU 119 114.933 -20.420 2.597 842 HA GLU 119 HA GLU 119 116.890 -19.355 2.130 843 HB2 GLU 119 1HB GLU 119 117.007 -21.384 0.321 844 HB3 GLU 119 2HB GLU 119 116.979 -20.001 -0.767 845 HG2 GLU 119 1HG GLU 119 119.286 -20.459 -0.306 846 HG3 GLU 119 2HG GLU 119 118.879 -19.018 0.616 847 H ASN 120 H ASN 120 117.575 -17.955 -0.324 848 HA ASN 120 HA ASN 120 116.396 -15.506 0.340 849 HB2 ASN 120 1HB ASN 120 117.645 -14.609 -1.528 850 HB3 ASN 120 2HB ASN 120 118.633 -15.760 -0.637 851 HD21 ASN 120 1HD2 ASN 120 119.128 -15.082 -3.404 852 HD22 ASN 120 2HD2 ASN 120 118.857 -16.477 -4.332 853 H VAL 121 H VAL 121 115.018 -17.940 -1.537 854 HA VAL 121 HA VAL 121 113.902 -16.280 -3.593 855 HB VAL 121 HB VAL 121 112.628 -18.365 -4.212 856 HG11 VAL 121 1HG1 VAL 121 114.911 -17.598 -5.071 857 HG12 VAL 121 2HG1 VAL 121 114.538 -19.311 -5.267 858 HG13 VAL 121 3HG1 VAL 121 115.610 -18.784 -3.970 859 HG21 VAL 121 3HG2 VAL 121 114.482 -19.894 -2.427 860 HG22 VAL 121 1HG2 VAL 121 112.907 -20.358 -3.070 861 HG23 VAL 121 2HG2 VAL 121 113.012 -19.232 -1.717 862 H ALA 122 H ALA 122 113.071 -15.845 -0.612 863 HA ALA 122 HA ALA 122 110.164 -16.270 -0.950 864 HB1 ALA 122 1HB ALA 122 111.931 -15.793 1.453 865 HB2 ALA 122 2HB ALA 122 110.906 -17.187 1.115 866 HB3 ALA 122 3HB ALA 122 110.176 -15.637 1.536 867 H LEU 123 H LEU 123 108.764 -14.551 -0.996 868 HA LEU 123 HA LEU 123 110.062 -11.910 -1.348 869 HB2 LEU 123 1HB LEU 123 107.629 -13.016 -2.767 870 HB3 LEU 123 2HB LEU 123 108.382 -11.450 -3.058 871 HG LEU 123 HG LEU 123 109.773 -14.120 -3.426 872 HD11 LEU 123 1HD1 LEU 123 109.592 -13.558 -5.858 873 HD12 LEU 123 2HD1 LEU 123 108.558 -12.194 -5.433 874 HD13 LEU 123 3HD1 LEU 123 108.024 -13.843 -5.105 875 HD21 LEU 123 3HD2 LEU 123 110.547 -11.243 -3.976 876 HD22 LEU 123 1HD2 LEU 123 111.401 -12.616 -4.682 877 HD23 LEU 123 2HD2 LEU 123 111.374 -12.397 -2.931 878 H ASP 124 H ASP 124 109.120 -10.118 -0.520 879 HA ASP 124 HA ASP 124 106.519 -10.389 0.864 880 HB2 ASP 124 1HB ASP 124 108.337 -10.388 2.527 881 HB3 ASP 124 2HB ASP 124 108.964 -8.892 1.844 882 H PHE 125 H PHE 125 105.100 -8.689 0.549 883 HA PHE 125 HA PHE 125 106.151 -6.251 -0.753 884 HB2 PHE 125 1HB PHE 125 104.310 -6.204 -2.313 885 HB3 PHE 125 2HB PHE 125 105.195 -7.705 -2.499 886 HD1 PHE 125 HD1 PHE 125 104.230 -9.835 -1.555 887 HD2 PHE 125 HD2 PHE 125 102.010 -6.161 -1.721 888 HE1 PHE 125 HE1 PHE 125 102.117 -11.098 -1.260 889 HE2 PHE 125 HE2 PHE 125 99.897 -7.423 -1.426 890 HZ PHE 125 HZ PHE 125 99.950 -9.893 -1.195 891 H SER 126 H SER 126 105.250 -4.367 -0.017 892 HA SER 126 HA SER 126 102.943 -4.565 1.803 893 HB2 SER 126 1HB SER 126 104.999 -4.795 3.182 894 HB3 SER 126 2HB SER 126 105.548 -3.238 2.574 895 HG SER 126 HG SER 126 104.170 -2.277 3.855 896 H TYR 127 H TYR 127 101.823 -2.623 2.139 897 HA TYR 127 HA TYR 127 102.645 -0.335 0.443 898 HB2 TYR 127 1HB TYR 127 99.885 -1.068 1.443 899 HB3 TYR 127 2HB TYR 127 100.282 0.319 0.446 900 HD1 TYR 127 HD1 TYR 127 100.879 0.027 -1.931 901 HD2 TYR 127 HD2 TYR 127 99.738 -3.301 0.533 902 HE1 TYR 127 HE1 TYR 127 100.529 -1.355 -3.960 903 HE2 TYR 127 HE2 TYR 127 99.387 -4.683 -1.496 904 HH TYR 127 HH TYR 127 99.201 -3.373 -4.601 905 H GLU 128 H GLU 128 102.793 1.674 1.440 906 HA GLU 128 HA GLU 128 102.212 1.791 4.334 907 HB2 GLU 128 1HB GLU 128 104.627 1.210 3.940 908 HB3 GLU 128 2HB GLU 128 104.802 2.750 3.101 909 HG2 GLU 128 1HG GLU 128 104.012 3.923 5.148 910 HG3 GLU 128 2HG GLU 128 103.936 2.375 5.980 911 H GLN 129 H GLN 129 101.407 3.724 5.006 912 HA GLN 129 HA GLN 129 101.272 5.899 2.997 913 HB2 GLN 129 1HB GLN 129 99.133 4.628 3.199 914 HB3 GLN 129 2HB GLN 129 99.071 5.079 4.904 915 HG2 GLN 129 1HG GLN 129 99.062 7.455 4.297 916 HG3 GLN 129 2HG GLN 129 99.187 7.036 2.591 917 HE21 GLN 129 1HE2 GLN 129 97.018 8.574 3.250 918 HE22 GLN 129 2HE2 GLN 129 95.593 7.650 3.253 919 H SER 130 H SER 130 101.844 7.830 3.674 920 HA SER 130 HA SER 130 102.169 8.357 6.542 921 HB2 SER 130 1HB SER 130 103.619 10.087 5.987 922 HB3 SER 130 2HB SER 130 103.922 8.956 4.680 923 HG SER 130 HG SER 130 102.035 10.282 3.705 924 H ARG 131 H ARG 131 101.115 10.227 7.494 925 HA ARG 131 HA ARG 131 98.359 10.084 6.543 926 HB2 ARG 131 1HB ARG 131 97.752 10.777 8.799 927 HB3 ARG 131 2HB ARG 131 98.899 9.444 8.877 928 HG2 ARG 131 1HG ARG 131 100.737 11.138 9.180 929 HG3 ARG 131 2HG ARG 131 99.496 12.386 9.295 930 HD2 ARG 131 1HD ARG 131 98.469 11.120 11.191 931 HD3 ARG 131 2HD ARG 131 99.818 9.990 11.121 932 HE ARG 131 HE ARG 131 101.128 12.296 11.393 933 HH11 ARG 131 1HH1 ARG 131 98.297 11.154 13.129 934 HH12 ARG 131 2HH1 ARG 131 98.683 12.064 14.551 935 HH21 ARG 131 1HH2 ARG 131 101.572 13.441 13.253 936 HH22 ARG 131 2HH2 ARG 131 100.513 13.341 14.619 937 H ILE 132 H ILE 132 96.971 12.122 6.634 938 HA ILE 132 HA ILE 132 98.542 13.345 4.528 939 HB ILE 132 HB ILE 132 96.494 12.160 3.983 940 HG12 ILE 132 1HG1 ILE 132 95.901 15.043 3.399 941 HG13 ILE 132 2HG1 ILE 132 97.384 14.324 2.773 942 HG21 ILE 132 1HG2 ILE 132 94.389 12.696 4.766 943 HG22 ILE 132 2HG2 ILE 132 94.819 14.370 5.108 944 HG23 ILE 132 3HG2 ILE 132 95.353 13.086 6.187 945 HD11 ILE 132 3HD1 ILE 132 95.803 12.399 1.965 946 HD12 ILE 132 1HD1 ILE 132 95.861 13.901 1.043 947 HD13 ILE 132 2HD1 ILE 132 94.529 13.603 2.159 948 H ARG 133 H ARG 133 99.646 14.974 5.436 949 HA ARG 133 HA ARG 133 98.234 17.480 5.932 950 HB2 ARG 133 1HB ARG 133 101.161 17.004 5.285 951 HB3 ARG 133 2HB ARG 133 100.451 18.487 5.915 952 HG2 ARG 133 1HG ARG 133 100.370 15.840 7.385 953 HG3 ARG 133 2HG ARG 133 101.608 17.066 7.653 954 HD2 ARG 133 1HD ARG 133 98.624 17.506 7.987 955 HD3 ARG 133 2HD ARG 133 99.761 17.230 9.301 956 HE ARG 133 HE ARG 133 99.475 19.662 7.722 957 HH11 ARG 133 1HH1 ARG 133 101.452 17.897 10.023 958 HH12 ARG 133 2HH1 ARG 133 102.295 19.318 10.542 959 HH21 ARG 133 1HH2 ARG 133 100.594 21.457 8.429 960 HH22 ARG 133 2HH2 ARG 133 101.814 21.309 9.650 961 H SER 134 H SER 134 99.372 19.267 4.232 962 HA SER 134 HA SER 134 97.834 18.980 1.938 963 HB2 SER 134 1HB SER 134 99.057 20.867 1.035 964 HB3 SER 134 2HB SER 134 98.817 21.110 2.762 965 HG SER 134 HG SER 134 100.913 20.706 3.117 966 H VAL 135 H VAL 135 100.956 17.519 2.553 967 HA VAL 135 HA VAL 135 100.824 16.388 -0.185 968 HB VAL 135 HB VAL 135 103.225 16.511 1.662 969 HG11 VAL 135 1HG1 VAL 135 104.355 15.912 -0.590 970 HG12 VAL 135 2HG1 VAL 135 102.742 15.425 -1.111 971 HG13 VAL 135 3HG1 VAL 135 103.502 14.626 0.264 972 HG21 VAL 135 3HG2 VAL 135 102.491 18.729 0.714 973 HG22 VAL 135 1HG2 VAL 135 102.697 18.048 -0.899 974 HG23 VAL 135 2HG2 VAL 135 104.089 18.216 0.172 975 H ASP 136 H ASP 136 100.337 14.269 -0.329 976 HA ASP 136 HA ASP 136 100.330 12.660 2.160 977 HB2 ASP 136 1HB ASP 136 98.498 11.378 1.184 978 HB3 ASP 136 2HB ASP 136 98.084 13.089 1.232 979 H VAL 137 H VAL 137 101.237 10.572 2.128 980 HA VAL 137 HA VAL 137 102.934 10.090 -0.271 981 HB VAL 137 HB VAL 137 103.454 9.162 2.558 982 HG11 VAL 137 1HG1 VAL 137 104.608 7.690 1.151 983 HG12 VAL 137 2HG1 VAL 137 105.811 8.947 1.444 984 HG13 VAL 137 3HG1 VAL 137 104.901 8.929 -0.067 985 HG21 VAL 137 3HG2 VAL 137 103.594 11.654 2.273 986 HG22 VAL 137 1HG2 VAL 137 104.771 11.401 0.984 987 HG23 VAL 137 2HG2 VAL 137 105.154 10.915 2.636 988 H GLY 138 H GLY 138 102.738 8.268 -1.382 989 HA2 GLY 138 1HA GLY 138 101.459 5.930 -0.082 990 HA3 GLY 138 2HA GLY 138 101.180 6.334 -1.778 991 H THR 139 H THR 139 102.817 4.175 0.013 992 HA THR 139 HA THR 139 105.176 4.174 -1.784 993 HB THR 139 HB THR 139 105.168 3.367 1.129 994 HG1 THR 139 HG1 THR 139 105.432 5.400 1.486 995 HG21 THR 139 3HG2 THR 139 107.477 3.863 -0.763 996 HG22 THR 139 1HG2 THR 139 106.809 2.261 -0.449 997 HG23 THR 139 2HG2 THR 139 107.551 3.180 0.861 998 H TRP 140 H TRP 140 105.574 2.322 -2.805 999 HA TRP 140 HA TRP 140 104.315 -0.170 -1.783 1000 HB2 TRP 140 1HB TRP 140 103.328 0.513 -3.920 1001 HB3 TRP 140 2HB TRP 140 104.924 0.625 -4.639 1002 HD1 TRP 140 HD1 TRP 140 102.804 -2.086 -2.855 1003 HE1 TRP 140 HE1 TRP 140 103.180 -4.321 -4.081 1004 HE3 TRP 140 HE3 TRP 140 106.191 -0.599 -6.375 1005 HZ2 TRP 140 HZ2 TRP 140 104.719 -5.346 -6.270 1006 HZ3 TRP 140 HZ3 TRP 140 107.095 -2.219 -8.012 1007 HH2 TRP 140 HH2 TRP 140 106.367 -4.588 -7.967 1008 H ILE 141 H ILE 141 105.752 -1.787 -1.272 1009 HA ILE 141 HA ILE 141 108.559 -1.418 -2.157 1010 HB ILE 141 HB ILE 141 108.232 -0.488 0.102 1011 HG12 ILE 141 1HG1 ILE 141 109.747 -3.088 0.337 1012 HG13 ILE 141 2HG1 ILE 141 110.335 -1.762 -0.665 1013 HG21 ILE 141 1HG2 ILE 141 106.340 -1.961 0.764 1014 HG22 ILE 141 2HG2 ILE 141 107.631 -1.940 1.966 1015 HG23 ILE 141 3HG2 ILE 141 107.464 -3.316 0.875 1016 HD11 ILE 141 3HD1 ILE 141 111.368 -1.205 1.318 1017 HD12 ILE 141 1HD1 ILE 141 110.104 -1.932 2.308 1018 HD13 ILE 141 2HD1 ILE 141 109.846 -0.354 1.561 1019 H ALA 142 H ALA 142 109.739 -3.251 -2.523 1020 HA ALA 142 HA ALA 142 108.474 -5.854 -1.935 1021 HB1 ALA 142 1HB ALA 142 109.834 -5.171 -4.554 1022 HB2 ALA 142 2HB ALA 142 108.086 -5.230 -4.334 1023 HB3 ALA 142 3HB ALA 142 109.049 -6.693 -4.132 1024 H GLY 143 H GLY 143 109.892 -7.386 -1.218 1025 HA2 GLY 143 1HA GLY 143 112.775 -6.775 -1.305 1026 HA3 GLY 143 2HA GLY 143 111.994 -7.001 0.256 1027 H VAL 144 H VAL 144 114.141 -8.551 -0.877 1028 HA VAL 144 HA VAL 144 112.847 -11.205 -1.123 1029 HB VAL 144 HB VAL 144 114.912 -11.918 -2.304 1030 HG11 VAL 144 1HG1 VAL 144 113.184 -9.700 -3.348 1031 HG12 VAL 144 2HG1 VAL 144 113.266 -11.386 -3.852 1032 HG13 VAL 144 3HG1 VAL 144 114.531 -10.263 -4.336 1033 HG21 VAL 144 3HG2 VAL 144 116.490 -10.311 -1.358 1034 HG22 VAL 144 1HG2 VAL 144 115.610 -8.972 -2.095 1035 HG23 VAL 144 2HG2 VAL 144 116.465 -10.130 -3.112 1036 H GLY 145 H GLY 145 113.548 -12.794 0.303 1037 HA2 GLY 145 1HA GLY 145 115.868 -12.285 1.994 1038 HA3 GLY 145 2HA GLY 145 114.313 -12.266 2.812 1039 H TYR 146 H TYR 146 115.893 -13.991 3.814 1040 HA TYR 146 HA TYR 146 114.984 -16.612 2.833 1041 HB2 TYR 146 1HB TYR 146 117.166 -17.579 3.212 1042 HB3 TYR 146 2HB TYR 146 117.306 -16.263 2.067 1043 HD1 TYR 146 HD1 TYR 146 118.354 -14.118 2.741 1044 HD2 TYR 146 HD2 TYR 146 118.216 -17.508 5.377 1045 HE1 TYR 146 HE1 TYR 146 120.102 -13.083 4.164 1046 HE2 TYR 146 HE2 TYR 146 119.965 -16.473 6.798 1047 HH TYR 146 HH TYR 146 121.876 -14.723 6.380 1048 H ARG 147 H ARG 147 115.385 -18.313 4.550 1049 HA ARG 147 HA ARG 147 114.804 -17.172 7.225 1050 HB2 ARG 147 1HB ARG 147 113.766 -19.709 5.934 1051 HB3 ARG 147 2HB ARG 147 113.447 -19.217 7.598 1052 HG2 ARG 147 1HG ARG 147 112.367 -17.158 6.797 1053 HG3 ARG 147 2HG ARG 147 112.700 -17.623 5.127 1054 HD2 ARG 147 1HD ARG 147 110.424 -18.253 5.615 1055 HD3 ARG 147 2HD ARG 147 111.382 -19.728 5.530 1056 HE ARG 147 HE ARG 147 111.069 -20.029 7.821 1057 HH11 ARG 147 1HH1 ARG 147 109.872 -16.860 6.901 1058 HH12 ARG 147 2HH1 ARG 147 109.078 -16.610 8.420 1059 HH21 ARG 147 1HH2 ARG 147 110.027 -19.651 9.753 1060 HH22 ARG 147 2HH2 ARG 147 109.166 -18.172 10.014 1061 H PHE 148 H PHE 148 115.712 -18.189 9.014 1062 HA PHE 148 HA PHE 148 117.897 -20.107 8.427 1063 HB2 PHE 148 1HB PHE 148 118.656 -17.835 9.093 1064 HB3 PHE 148 2HB PHE 148 117.782 -18.016 10.603 1065 HD1 PHE 148 HD1 PHE 148 120.639 -19.244 8.591 1066 HD2 PHE 148 HD2 PHE 148 118.669 -19.337 12.408 1067 HE1 PHE 148 HE1 PHE 148 122.625 -20.343 9.589 1068 HE2 PHE 148 HE2 PHE 148 120.655 -20.437 13.406 1069 HZ PHE 148 HZ PHE 148 122.632 -20.941 11.997 Start of MODEL 19 1 H1 ALA 1 3H ALA 1 113.676 -20.698 11.952 2 H2 ALA 1 2H ALA 1 112.229 -21.001 11.117 3 H3 ALA 1 HT3 ALA 1 112.186 -20.434 12.717 4 HA ALA 1 HA ALA 1 113.342 -18.899 10.457 5 HB1 ALA 1 2HB ALA 1 110.948 -19.241 10.083 6 HB2 ALA 1 3HB ALA 1 111.240 -17.573 10.577 7 HB3 ALA 1 1HB ALA 1 110.595 -18.736 11.736 8 H THR 2 H THR 2 114.551 -19.350 13.012 9 HA THR 2 HA THR 2 113.873 -17.618 15.067 10 HB THR 2 HB THR 2 116.685 -18.365 14.234 11 HG1 THR 2 HG1 THR 2 115.279 -20.163 14.437 12 HG21 THR 2 3HG2 THR 2 117.152 -18.129 16.637 13 HG22 THR 2 1HG2 THR 2 115.473 -17.674 16.927 14 HG23 THR 2 2HG2 THR 2 116.523 -16.619 15.978 15 H SER 3 H SER 3 115.701 -16.949 12.123 16 HA SER 3 HA SER 3 115.408 -14.086 12.617 17 HB2 SER 3 1HB SER 3 117.588 -14.682 13.646 18 HB3 SER 3 2HB SER 3 118.115 -15.334 12.097 19 HG SER 3 HG SER 3 117.180 -12.680 12.491 20 H THR 4 H THR 4 115.001 -13.011 10.774 21 HA THR 4 HA THR 4 115.600 -14.357 8.199 22 HB THR 4 HB THR 4 113.180 -12.640 8.784 23 HG1 THR 4 HG1 THR 4 112.769 -14.453 9.873 24 HG21 THR 4 3HG2 THR 4 112.433 -13.278 6.631 25 HG22 THR 4 1HG2 THR 4 113.621 -14.577 6.514 26 HG23 THR 4 2HG2 THR 4 114.139 -12.895 6.406 27 H VAL 5 H VAL 5 116.430 -13.100 6.600 28 HA VAL 5 HA VAL 5 116.839 -10.219 7.203 29 HB VAL 5 HB VAL 5 118.707 -12.057 5.680 30 HG11 VAL 5 1HG1 VAL 5 119.026 -9.190 6.616 31 HG12 VAL 5 2HG1 VAL 5 118.736 -9.687 4.949 32 HG13 VAL 5 3HG1 VAL 5 120.237 -10.138 5.755 33 HG21 VAL 5 3HG2 VAL 5 120.186 -11.860 7.616 34 HG22 VAL 5 1HG2 VAL 5 118.632 -12.514 8.136 35 HG23 VAL 5 2HG2 VAL 5 119.019 -10.819 8.432 36 H THR 6 H THR 6 115.787 -8.945 5.820 37 HA THR 6 HA THR 6 115.377 -9.895 3.043 38 HB THR 6 HB THR 6 113.377 -8.350 4.705 39 HG1 THR 6 HG1 THR 6 113.054 -10.285 5.465 40 HG21 THR 6 3HG2 THR 6 113.024 -9.726 2.035 41 HG22 THR 6 1HG2 THR 6 113.408 -8.011 2.191 42 HG23 THR 6 2HG2 THR 6 111.895 -8.639 2.843 43 H GLY 7 H GLY 7 115.713 -8.414 1.459 44 HA2 GLY 7 1HA GLY 7 116.094 -5.579 2.267 45 HA3 GLY 7 2HA GLY 7 117.112 -6.357 1.049 46 H GLY 8 H GLY 8 115.050 -4.078 0.946 47 HA2 GLY 8 1HA GLY 8 113.639 -5.096 -1.428 48 HA3 GLY 8 2HA GLY 8 112.671 -4.455 -0.107 49 H TYR 9 H TYR 9 112.480 -3.394 -2.577 50 HA TYR 9 HA TYR 9 113.786 -0.748 -2.313 51 HB2 TYR 9 1HB TYR 9 112.956 -2.126 -4.874 52 HB3 TYR 9 2HB TYR 9 113.721 -0.555 -4.740 53 HD1 TYR 9 HD1 TYR 9 116.099 -0.423 -3.852 54 HD2 TYR 9 HD2 TYR 9 114.214 -4.128 -4.934 55 HE1 TYR 9 HE1 TYR 9 118.322 -1.516 -3.985 56 HE2 TYR 9 HE2 TYR 9 116.436 -5.220 -5.068 57 HH TYR 9 HH TYR 9 118.643 -4.906 -5.022 58 H ALA 10 H ALA 10 112.427 1.035 -2.685 59 HA ALA 10 HA ALA 10 109.554 0.428 -2.996 60 HB1 ALA 10 1HB ALA 10 110.475 2.504 -1.041 61 HB2 ALA 10 2HB ALA 10 110.430 0.807 -0.561 62 HB3 ALA 10 3HB ALA 10 108.953 1.612 -1.090 63 H GLN 11 H GLN 11 108.305 2.014 -3.914 64 HA GLN 11 HA GLN 11 109.729 4.424 -4.918 65 HB2 GLN 11 1HB GLN 11 107.559 2.805 -6.280 66 HB3 GLN 11 2HB GLN 11 108.192 4.342 -6.872 67 HG2 GLN 11 1HG GLN 11 110.432 3.384 -7.065 68 HG3 GLN 11 2HG GLN 11 109.862 1.859 -6.394 69 HE21 GLN 11 1HE2 GLN 11 111.057 2.003 -8.996 70 HE22 GLN 11 2HE2 GLN 11 109.865 1.636 -10.148 71 H SER 12 H SER 12 108.751 6.357 -4.474 72 HA SER 12 HA SER 12 106.111 6.227 -3.117 73 HB2 SER 12 1HB SER 12 108.342 8.242 -2.746 74 HB3 SER 12 2HB SER 12 106.801 8.231 -1.894 75 HG SER 12 HG SER 12 108.940 7.059 -1.114 76 H ASP 13 H ASP 13 104.507 7.398 -3.886 77 HA ASP 13 HA ASP 13 104.836 8.699 -6.454 78 HB2 ASP 13 1HB ASP 13 102.950 7.145 -5.979 79 HB3 ASP 13 2HB ASP 13 102.342 8.295 -4.790 80 H ALA 14 H ALA 14 105.112 10.797 -6.720 81 HA ALA 14 HA ALA 14 104.503 12.631 -4.487 82 HB1 ALA 14 1HB ALA 14 106.842 12.625 -5.248 83 HB2 ALA 14 2HB ALA 14 106.071 14.176 -5.585 84 HB3 ALA 14 3HB ALA 14 106.313 13.010 -6.886 85 H GLN 15 H GLN 15 103.196 14.391 -4.780 86 HA GLN 15 HA GLN 15 101.543 14.433 -7.194 87 HB2 GLN 15 1HB GLN 15 101.408 16.042 -4.627 88 HB3 GLN 15 2HB GLN 15 100.243 16.152 -5.948 89 HG2 GLN 15 1HG GLN 15 99.663 13.793 -5.679 90 HG3 GLN 15 2HG GLN 15 100.882 13.614 -4.420 91 HE21 GLN 15 1HE2 GLN 15 98.116 13.056 -3.921 92 HE22 GLN 15 2HE2 GLN 15 97.531 14.213 -2.823 93 H GLY 16 H GLY 16 101.255 16.457 -8.412 94 HA2 GLY 16 1HA GLY 16 103.672 17.349 -9.412 95 HA3 GLY 16 2HA GLY 16 102.150 18.204 -9.629 96 H GLN 17 H GLN 17 105.199 18.336 -8.399 97 HA GLN 17 HA GLN 17 105.348 20.891 -7.423 98 HB2 GLN 17 1HB GLN 17 103.717 20.186 -5.637 99 HB3 GLN 17 2HB GLN 17 104.874 18.964 -5.123 100 HG2 GLN 17 1HG GLN 17 106.522 20.707 -4.634 101 HG3 GLN 17 2HG GLN 17 105.413 21.943 -5.216 102 HE21 GLN 17 1HE2 GLN 17 106.271 22.285 -2.639 103 HE22 GLN 17 2HE2 GLN 17 105.051 21.875 -1.530 104 H MET 18 H MET 18 106.174 17.611 -6.373 105 HA MET 18 HA MET 18 109.040 18.223 -6.754 106 HB2 MET 18 1HB MET 18 107.772 16.614 -4.526 107 HB3 MET 18 2HB MET 18 109.507 16.727 -4.822 108 HG2 MET 18 1HG MET 18 109.313 19.226 -4.603 109 HG3 MET 18 2HG MET 18 107.634 19.001 -4.115 110 HE1 MET 18 3HE MET 18 106.884 17.456 -2.427 111 HE2 MET 18 1HE MET 18 107.685 17.134 -0.883 112 HE3 MET 18 2HE MET 18 108.020 16.117 -2.282 113 H ASN 19 H ASN 19 110.295 16.038 -6.750 114 HA ASN 19 HA ASN 19 109.057 14.422 -8.849 115 HB2 ASN 19 1HB ASN 19 111.334 13.528 -9.158 116 HB3 ASN 19 2HB ASN 19 111.313 15.292 -9.223 117 HD21 ASN 19 1HD2 ASN 19 112.846 16.297 -7.914 118 HD22 ASN 19 2HD2 ASN 19 113.576 15.590 -6.556 119 H LYS 20 H LYS 20 109.604 12.031 -8.805 120 HA LYS 20 HA LYS 20 108.422 10.810 -6.528 121 HB2 LYS 20 1HB LYS 20 110.109 9.474 -8.661 122 HB3 LYS 20 2HB LYS 20 108.926 8.700 -7.610 123 HG2 LYS 20 1HG LYS 20 108.290 10.844 -9.659 124 HG3 LYS 20 2HG LYS 20 108.017 9.117 -9.882 125 HD2 LYS 20 1HD LYS 20 106.543 9.146 -7.854 126 HD3 LYS 20 2HD LYS 20 106.726 10.901 -7.801 127 HE2 LYS 20 1HE LYS 20 105.670 11.163 -9.939 128 HE3 LYS 20 2HE LYS 20 105.722 9.429 -10.248 129 HZ1 LYS 20 3HZ LYS 20 103.538 9.980 -9.550 130 HZ2 LYS 20 1HZ LYS 20 104.105 10.843 -8.204 131 HZ3 LYS 20 2HZ LYS 20 104.276 9.154 -8.263 132 H MET 21 H MET 21 109.526 9.037 -5.238 133 HA MET 21 HA MET 21 112.371 9.733 -4.707 134 HB2 MET 21 1HB MET 21 110.196 9.221 -2.669 135 HB3 MET 21 2HB MET 21 111.913 9.379 -2.294 136 HG2 MET 21 1HG MET 21 111.872 11.647 -3.386 137 HG3 MET 21 2HG MET 21 110.121 11.489 -3.528 138 HE1 MET 21 3HE MET 21 109.528 9.927 -0.403 139 HE2 MET 21 1HE MET 21 108.720 10.707 -1.769 140 HE3 MET 21 2HE MET 21 108.679 11.455 -0.174 141 H GLY 22 H GLY 22 113.680 8.032 -3.841 142 HA2 GLY 22 1HA GLY 22 112.561 5.324 -4.336 143 HA3 GLY 22 2HA GLY 22 114.219 5.781 -4.725 144 H GLY 23 H GLY 23 112.847 3.827 -2.729 145 HA2 GLY 23 1HA GLY 23 114.350 4.702 -0.329 146 HA3 GLY 23 2HA GLY 23 112.729 4.032 -0.215 147 H PHE 24 H PHE 24 115.452 3.161 0.788 148 HA PHE 24 HA PHE 24 115.300 0.368 -0.207 149 HB2 PHE 24 1HB PHE 24 117.682 1.814 0.970 150 HB3 PHE 24 2HB PHE 24 117.651 0.139 0.454 151 HD1 PHE 24 HD1 PHE 24 117.729 3.647 -0.628 152 HD2 PHE 24 HD2 PHE 24 117.653 -0.447 -1.925 153 HE1 PHE 24 HE1 PHE 24 118.381 4.358 -2.913 154 HE2 PHE 24 HE2 PHE 24 118.305 0.265 -4.209 155 HZ PHE 24 HZ PHE 24 118.669 2.667 -4.704 156 H ASN 25 H ASN 25 115.096 -1.243 1.367 157 HA ASN 25 HA ASN 25 115.009 -0.328 4.181 158 HB2 ASN 25 1HB ASN 25 112.895 -1.516 4.516 159 HB3 ASN 25 2HB ASN 25 112.723 -0.250 3.303 160 HD21 ASN 25 1HD2 ASN 25 113.407 -3.786 3.530 161 HD22 ASN 25 2HD2 ASN 25 112.620 -4.173 2.077 162 H LEU 26 H LEU 26 115.555 -1.779 5.700 163 HA LEU 26 HA LEU 26 116.215 -4.540 4.844 164 HB2 LEU 26 1HB LEU 26 118.114 -2.785 5.516 165 HB3 LEU 26 2HB LEU 26 117.627 -3.231 7.144 166 HG LEU 26 HG LEU 26 119.483 -4.626 6.461 167 HD11 LEU 26 1HD1 LEU 26 117.209 -6.535 6.113 168 HD12 LEU 26 2HD1 LEU 26 117.306 -5.612 7.611 169 HD13 LEU 26 3HD1 LEU 26 118.639 -6.662 7.135 170 HD21 LEU 26 3HD2 LEU 26 117.893 -5.821 4.217 171 HD22 LEU 26 1HD2 LEU 26 119.642 -5.766 4.444 172 HD23 LEU 26 2HD2 LEU 26 118.771 -4.316 3.947 173 H LYS 27 H LYS 27 115.302 -6.149 6.113 174 HA LYS 27 HA LYS 27 113.792 -5.243 8.503 175 HB2 LYS 27 1HB LYS 27 112.887 -7.229 6.405 176 HB3 LYS 27 2HB LYS 27 111.992 -6.767 7.849 177 HG2 LYS 27 1HG LYS 27 111.804 -4.479 7.072 178 HG3 LYS 27 2HG LYS 27 112.844 -4.820 5.690 179 HD2 LYS 27 1HD LYS 27 110.564 -4.872 4.907 180 HD3 LYS 27 2HD LYS 27 111.146 -6.536 4.949 181 HE2 LYS 27 1HE LYS 27 109.781 -5.441 7.383 182 HE3 LYS 27 2HE LYS 27 108.794 -5.905 5.997 183 HZ1 LYS 27 3HZ LYS 27 109.081 -8.033 6.477 184 HZ2 LYS 27 1HZ LYS 27 109.847 -7.574 7.920 185 HZ3 LYS 27 2HZ LYS 27 110.771 -7.867 6.525 186 H TYR 28 H TYR 28 113.799 -6.570 10.251 187 HA TYR 28 HA TYR 28 115.057 -9.238 9.985 188 HB2 TYR 28 1HB TYR 28 115.227 -7.342 12.331 189 HB3 TYR 28 2HB TYR 28 115.899 -8.960 12.275 190 HD1 TYR 28 HD1 TYR 28 117.785 -9.462 10.677 191 HD2 TYR 28 HD2 TYR 28 116.366 -5.473 11.406 192 HE1 TYR 28 HE1 TYR 28 119.880 -8.541 9.722 193 HE2 TYR 28 HE2 TYR 28 118.462 -4.554 10.450 194 HH TYR 28 HH TYR 28 120.522 -5.046 9.726 195 H ARG 29 H ARG 29 113.967 -10.921 10.953 196 HA ARG 29 HA ARG 29 111.484 -10.259 12.422 197 HB2 ARG 29 1HB ARG 29 110.984 -10.811 10.047 198 HB3 ARG 29 2HB ARG 29 111.740 -12.385 10.287 199 HG2 ARG 29 1HG ARG 29 110.116 -12.852 12.119 200 HG3 ARG 29 2HG ARG 29 109.318 -11.319 11.769 201 HD2 ARG 29 1HD ARG 29 109.667 -13.605 9.809 202 HD3 ARG 29 2HD ARG 29 108.173 -13.203 10.652 203 HE ARG 29 HE ARG 29 109.178 -10.943 9.231 204 HH11 ARG 29 1HH1 ARG 29 107.486 -13.974 8.706 205 HH12 ARG 29 2HH1 ARG 29 106.708 -13.403 7.268 206 HH21 ARG 29 1HH2 ARG 29 108.147 -10.266 7.376 207 HH22 ARG 29 2HH2 ARG 29 107.078 -11.330 6.526 208 H TYR 30 H TYR 30 110.913 -11.618 14.059 209 HA TYR 30 HA TYR 30 112.763 -13.852 14.667 210 HB2 TYR 30 1HB TYR 30 111.148 -12.125 16.551 211 HB3 TYR 30 2HB TYR 30 112.141 -13.491 17.027 212 HD1 TYR 30 HD1 TYR 30 114.626 -13.366 16.800 213 HD2 TYR 30 HD2 TYR 30 112.087 -9.977 16.074 214 HE1 TYR 30 HE1 TYR 30 116.587 -11.857 16.986 215 HE2 TYR 30 HE2 TYR 30 114.046 -8.470 16.260 216 HH TYR 30 HH TYR 30 116.274 -8.469 17.268 217 H GLU 31 H GLU 31 111.862 -15.843 15.223 218 HA GLU 31 HA GLU 31 109.050 -16.143 14.457 219 HB2 GLU 31 1HB GLU 31 110.794 -17.671 13.533 220 HB3 GLU 31 2HB GLU 31 111.063 -18.291 15.161 221 HG2 GLU 31 1HG GLU 31 108.653 -18.914 15.277 222 HG3 GLU 31 2HG GLU 31 108.456 -18.378 13.615 223 H GLU 32 H GLU 32 107.455 -16.527 15.799 224 HA GLU 32 HA GLU 32 108.032 -17.081 18.636 225 HB2 GLU 32 1HB GLU 32 106.158 -14.965 17.558 226 HB3 GLU 32 2HB GLU 32 106.310 -15.419 19.257 227 HG2 GLU 32 1HG GLU 32 108.561 -14.360 17.527 228 HG3 GLU 32 2HG GLU 32 107.671 -13.417 18.714 229 H ASP 33 H ASP 33 106.295 -18.005 19.814 230 HA ASP 33 HA ASP 33 104.938 -20.016 18.285 231 HB2 ASP 33 1HB ASP 33 104.813 -19.322 21.228 232 HB3 ASP 33 2HB ASP 33 104.094 -20.754 20.499 233 H ASN 34 H ASN 34 102.558 -20.468 19.236 234 HA ASN 34 HA ASN 34 100.880 -18.763 17.841 235 HB2 ASN 34 1HB ASN 34 100.235 -20.617 20.136 236 HB3 ASN 34 2HB ASN 34 99.034 -19.876 19.081 237 HD21 ASN 34 1HD2 ASN 34 99.511 -22.760 19.297 238 HD22 ASN 34 2HD2 ASN 34 100.037 -23.287 17.772 239 H SER 35 H SER 35 101.924 -18.482 21.228 240 HA SER 35 HA SER 35 99.736 -16.599 21.745 241 HB2 SER 35 1HB SER 35 100.575 -18.547 23.295 242 HB3 SER 35 2HB SER 35 101.749 -17.344 23.815 243 HG SER 35 HG SER 35 98.928 -17.287 23.947 244 HA PRO 36 HA PRO 36 103.078 -13.486 21.728 245 HB2 PRO 36 1HB PRO 36 105.739 -14.300 21.249 246 HB3 PRO 36 2HB PRO 36 105.026 -13.906 22.821 247 HG2 PRO 36 1HG PRO 36 105.937 -16.412 21.973 248 HG3 PRO 36 2HG PRO 36 104.991 -16.056 23.427 249 HD2 PRO 36 1HD PRO 36 104.065 -17.104 20.797 250 HD3 PRO 36 2HD PRO 36 103.428 -17.435 22.423 251 H LEU 37 H LEU 37 103.179 -12.212 19.956 252 HA LEU 37 HA LEU 37 103.037 -13.408 17.338 253 HB2 LEU 37 1HB LEU 37 103.128 -10.487 18.127 254 HB3 LEU 37 2HB LEU 37 102.670 -11.124 16.549 255 HG LEU 37 HG LEU 37 101.229 -11.746 19.145 256 HD11 LEU 37 1HD1 LEU 37 100.381 -9.971 16.835 257 HD12 LEU 37 2HD1 LEU 37 101.003 -9.372 18.373 258 HD13 LEU 37 3HD1 LEU 37 99.481 -10.262 18.324 259 HD21 LEU 37 3HD2 LEU 37 100.892 -13.560 17.635 260 HD22 LEU 37 1HD2 LEU 37 100.773 -12.481 16.246 261 HD23 LEU 37 2HD2 LEU 37 99.472 -12.533 17.435 262 H GLY 38 H GLY 38 104.373 -12.612 15.511 263 HA2 GLY 38 1HA GLY 38 107.171 -12.933 16.189 264 HA3 GLY 38 2HA GLY 38 106.495 -12.788 14.568 265 H VAL 39 H VAL 39 108.801 -11.356 15.983 266 HA VAL 39 HA VAL 39 107.742 -8.596 16.028 267 HB VAL 39 HB VAL 39 110.413 -9.642 17.011 268 HG11 VAL 39 1HG1 VAL 39 110.566 -7.299 16.469 269 HG12 VAL 39 2HG1 VAL 39 110.401 -7.418 18.221 270 HG13 VAL 39 3HG1 VAL 39 109.012 -6.964 17.233 271 HG21 VAL 39 3HG2 VAL 39 108.468 -10.518 18.302 272 HG22 VAL 39 1HG2 VAL 39 107.930 -8.860 18.572 273 HG23 VAL 39 2HG2 VAL 39 109.459 -9.412 19.254 274 H ILE 40 H ILE 40 108.093 -7.326 14.329 275 HA ILE 40 HA ILE 40 110.424 -7.892 12.582 276 HB ILE 40 HB ILE 40 107.763 -6.671 11.795 277 HG12 ILE 40 1HG1 ILE 40 108.907 -9.383 11.074 278 HG13 ILE 40 2HG1 ILE 40 107.701 -9.137 12.338 279 HG21 ILE 40 1HG2 ILE 40 110.101 -7.589 10.093 280 HG22 ILE 40 2HG2 ILE 40 109.772 -5.905 10.505 281 HG23 ILE 40 3HG2 ILE 40 108.623 -6.813 9.522 282 HD11 ILE 40 3HD1 ILE 40 107.356 -8.343 9.431 283 HD12 ILE 40 1HD1 ILE 40 106.147 -8.179 10.704 284 HD13 ILE 40 2HD1 ILE 40 106.660 -9.782 10.175 285 H GLY 41 H GLY 41 111.811 -6.250 12.272 286 HA2 GLY 41 1HA GLY 41 110.931 -3.496 12.901 287 HA3 GLY 41 2HA GLY 41 112.449 -4.113 13.563 288 H SER 42 H SER 42 111.775 -1.937 11.490 289 HA SER 42 HA SER 42 113.696 -2.872 9.456 290 HB2 SER 42 1HB SER 42 112.294 -2.331 7.623 291 HB3 SER 42 2HB SER 42 111.294 -3.281 8.717 292 HG SER 42 HG SER 42 110.777 -0.911 7.787 293 H PHE 43 H PHE 43 114.826 -1.294 8.408 294 HA PHE 43 HA PHE 43 114.404 1.503 9.307 295 HB2 PHE 43 1HB PHE 43 116.990 0.132 8.546 296 HB3 PHE 43 2HB PHE 43 116.823 1.831 8.938 297 HD1 PHE 43 HD1 PHE 43 116.267 2.531 11.265 298 HD2 PHE 43 HD2 PHE 43 117.069 -1.561 10.240 299 HE1 PHE 43 HE1 PHE 43 116.612 1.999 13.662 300 HE2 PHE 43 HE2 PHE 43 117.416 -2.094 12.638 301 HZ PHE 43 HZ PHE 43 117.187 -0.314 14.348 302 H THR 44 H THR 44 114.114 2.985 7.710 303 HA THR 44 HA THR 44 114.627 2.129 4.916 304 HB THR 44 HB THR 44 112.197 3.663 5.865 305 HG1 THR 44 HG1 THR 44 112.560 0.950 5.127 306 HG21 THR 44 3HG2 THR 44 112.855 2.379 3.200 307 HG22 THR 44 1HG2 THR 44 112.972 4.106 3.537 308 HG23 THR 44 2HG2 THR 44 111.403 3.303 3.587 309 H TYR 45 H TYR 45 115.554 3.603 3.623 310 HA TYR 45 HA TYR 45 115.693 6.418 4.551 311 HB2 TYR 45 1HB TYR 45 117.870 4.985 3.030 312 HB3 TYR 45 2HB TYR 45 117.942 6.583 3.742 313 HD1 TYR 45 HD1 TYR 45 118.087 2.970 4.366 314 HD2 TYR 45 HD2 TYR 45 118.278 6.869 6.158 315 HE1 TYR 45 HE1 TYR 45 119.031 1.973 6.430 316 HE2 TYR 45 HE2 TYR 45 119.223 5.870 8.224 317 HH TYR 45 HH TYR 45 120.491 2.793 8.364 318 H THR 46 H THR 46 115.174 7.933 2.964 319 HA THR 46 HA THR 46 114.714 6.860 0.229 320 HB THR 46 HB THR 46 112.929 8.440 -0.057 321 HG1 THR 46 HG1 THR 46 112.486 9.985 1.418 322 HG21 THR 46 3HG2 THR 46 112.545 7.276 2.707 323 HG22 THR 46 1HG2 THR 46 112.484 6.297 1.240 324 HG23 THR 46 2HG2 THR 46 111.312 7.594 1.485 325 H GLU 47 H GLU 47 115.545 7.968 -1.486 326 HA GLU 47 HA GLU 47 116.965 10.479 -0.978 327 HB2 GLU 47 1HB GLU 47 118.315 7.987 -2.038 328 HB3 GLU 47 2HB GLU 47 119.040 9.596 -1.997 329 HG2 GLU 47 1HG GLU 47 118.714 9.646 0.469 330 HG3 GLU 47 2HG GLU 47 118.086 8.007 0.401 331 H LYS 48 H LYS 48 117.929 11.341 -3.021 332 HA LYS 48 HA LYS 48 116.725 10.277 -5.487 333 HB2 LYS 48 1HB LYS 48 115.429 12.291 -4.765 334 HB3 LYS 48 2HB LYS 48 116.920 13.232 -4.843 335 HG2 LYS 48 1HG LYS 48 117.170 12.581 -7.236 336 HG3 LYS 48 2HG LYS 48 115.621 11.743 -7.144 337 HD2 LYS 48 1HD LYS 48 114.551 13.902 -6.468 338 HD3 LYS 48 2HD LYS 48 116.099 14.706 -6.729 339 HE2 LYS 48 1HE LYS 48 114.806 14.979 -8.747 340 HE3 LYS 48 2HE LYS 48 116.076 13.804 -9.087 341 HZ1 LYS 48 3HZ LYS 48 114.548 12.298 -9.572 342 HZ2 LYS 48 1HZ LYS 48 113.334 13.461 -9.349 343 HZ3 LYS 48 2HZ LYS 48 113.816 12.481 -8.049 344 H SER 49 H SER 49 118.123 10.257 -7.216 345 HA SER 49 HA SER 49 120.909 10.888 -6.568 346 HB2 SER 49 1HB SER 49 120.331 8.646 -7.473 347 HB3 SER 49 2HB SER 49 119.770 9.417 -8.953 348 HG SER 49 HG SER 49 121.779 9.411 -9.549 349 H ARG 50 H ARG 50 121.958 12.572 -7.371 350 HA ARG 50 HA ARG 50 120.752 14.090 -9.603 351 HB2 ARG 50 1HB ARG 50 122.839 14.961 -7.587 352 HB3 ARG 50 2HB ARG 50 122.092 15.979 -8.816 353 HG2 ARG 50 1HG ARG 50 120.551 14.563 -6.625 354 HG3 ARG 50 2HG ARG 50 121.075 16.244 -6.536 355 HD2 ARG 50 1HD ARG 50 119.811 16.688 -8.658 356 HD3 ARG 50 2HD ARG 50 119.191 15.040 -8.582 357 HE ARG 50 HE ARG 50 118.627 16.199 -6.122 358 HH11 ARG 50 1HH1 ARG 50 117.740 16.798 -9.466 359 HH12 ARG 50 2HH1 ARG 50 116.212 17.495 -9.039 360 HH21 ARG 50 1HH2 ARG 50 116.648 17.106 -5.636 361 HH22 ARG 50 2HH2 ARG 50 115.604 17.666 -6.898 362 H THR 51 H THR 51 122.783 15.434 -10.649 363 HA THR 51 HA THR 51 124.111 13.576 -12.286 364 HB THR 51 HB THR 51 125.440 15.477 -13.070 365 HG1 THR 51 HG1 THR 51 125.804 17.096 -11.801 366 HG21 THR 51 3HG2 THR 51 123.609 16.933 -13.752 367 HG22 THR 51 1HG2 THR 51 122.597 16.323 -12.443 368 HG23 THR 51 2HG2 THR 51 123.055 15.258 -13.772 369 H ALA 52 H ALA 52 126.416 13.137 -12.430 370 HA ALA 52 HA ALA 52 127.456 12.200 -9.975 371 HB1 ALA 52 1HB ALA 52 128.121 11.059 -11.949 372 HB2 ALA 52 2HB ALA 52 129.574 11.865 -11.360 373 HB3 ALA 52 3HB ALA 52 128.676 12.548 -12.714 374 H SER 53 H SER 53 128.294 13.376 -8.391 375 HA SER 53 HA SER 53 130.289 15.413 -9.006 376 HB2 SER 53 1HB SER 53 129.221 17.163 -7.736 377 HB3 SER 53 2HB SER 53 128.071 16.594 -8.944 378 HG SER 53 HG SER 53 126.909 16.530 -7.124 379 H SER 54 H SER 54 131.688 15.842 -7.274 380 HA SER 54 HA SER 54 132.114 13.721 -5.454 381 HB2 SER 54 1HB SER 54 133.204 16.541 -5.331 382 HB3 SER 54 2HB SER 54 133.860 15.130 -4.508 383 HG SER 54 HG SER 54 134.894 15.649 -6.536 384 H GLY 55 H GLY 55 130.462 16.822 -5.133 385 HA2 GLY 55 1HA GLY 55 130.361 16.817 -2.281 386 HA3 GLY 55 2HA GLY 55 129.411 17.838 -3.352 387 H ASP 56 H ASP 56 128.143 15.703 -4.810 388 HA ASP 56 HA ASP 56 126.162 14.540 -4.716 389 HB2 ASP 56 1HB ASP 56 127.335 13.630 -2.079 390 HB3 ASP 56 2HB ASP 56 125.941 12.901 -2.868 391 H TYR 57 H TYR 57 124.526 15.999 -4.600 392 HA TYR 57 HA TYR 57 124.151 17.871 -2.568 393 HB2 TYR 57 1HB TYR 57 122.086 16.694 -4.428 394 HB3 TYR 57 2HB TYR 57 121.885 18.159 -3.487 395 HD1 TYR 57 HD1 TYR 57 123.419 20.133 -3.956 396 HD2 TYR 57 HD2 TYR 57 123.171 16.702 -6.527 397 HE1 TYR 57 HE1 TYR 57 124.444 21.439 -5.797 398 HE2 TYR 57 HE2 TYR 57 124.195 18.008 -8.370 399 HH TYR 57 HH TYR 57 125.030 21.448 -7.940 400 H ASN 58 H ASN 58 121.788 15.229 -3.111 401 HA ASN 58 HA ASN 58 120.443 14.108 -1.617 402 HB2 ASN 58 1HB ASN 58 122.932 14.291 0.099 403 HB3 ASN 58 2HB ASN 58 121.593 13.169 0.338 404 HD21 ASN 58 1HD2 ASN 58 124.576 12.804 -0.512 405 HD22 ASN 58 2HD2 ASN 58 124.466 11.801 -1.876 406 H LYS 59 H LYS 59 119.886 16.778 -1.659 407 HA LYS 59 HA LYS 59 120.256 18.249 0.688 408 HB2 LYS 59 1HB LYS 59 118.025 18.388 -1.348 409 HB3 LYS 59 2HB LYS 59 118.331 19.610 -0.111 410 HG2 LYS 59 1HG LYS 59 120.636 19.899 -1.017 411 HG3 LYS 59 2HG LYS 59 120.240 18.764 -2.309 412 HD2 LYS 59 1HD LYS 59 118.346 20.251 -2.978 413 HD3 LYS 59 2HD LYS 59 118.876 21.415 -1.764 414 HE2 LYS 59 1HE LYS 59 120.856 21.912 -2.911 415 HE3 LYS 59 2HE LYS 59 120.823 20.401 -3.820 416 HZ1 LYS 59 3HZ LYS 59 118.723 21.290 -4.866 417 HZ2 LYS 59 1HZ LYS 59 120.167 22.059 -5.319 418 HZ3 LYS 59 2HZ LYS 59 119.128 22.798 -4.195 419 H ASN 60 H ASN 60 117.572 16.088 -0.219 420 HA ASN 60 HA ASN 60 116.410 16.498 2.475 421 HB2 ASN 60 1HB ASN 60 115.063 17.009 0.347 422 HB3 ASN 60 2HB ASN 60 115.007 15.266 0.113 423 HD21 ASN 60 1HD2 ASN 60 112.560 15.824 0.405 424 HD22 ASN 60 2HD2 ASN 60 111.963 15.789 1.993 425 H GLN 61 H GLN 61 116.583 14.875 3.899 426 HA GLN 61 HA GLN 61 116.912 12.115 2.855 427 HB2 GLN 61 1HB GLN 61 118.316 13.395 5.214 428 HB3 GLN 61 2HB GLN 61 118.394 11.683 4.801 429 HG2 GLN 61 1HG GLN 61 119.385 12.217 2.631 430 HG3 GLN 61 2HG GLN 61 119.237 13.940 2.963 431 HE21 GLN 61 1HE2 GLN 61 121.777 12.735 2.415 432 HE22 GLN 61 2HE2 GLN 61 122.716 12.809 3.829 433 H TYR 62 H TYR 62 115.772 10.524 3.919 434 HA TYR 62 HA TYR 62 114.139 11.370 6.246 435 HB2 TYR 62 1HB TYR 62 113.338 9.603 3.939 436 HB3 TYR 62 2HB TYR 62 112.408 9.780 5.411 437 HD1 TYR 62 HD1 TYR 62 113.598 11.505 2.358 438 HD2 TYR 62 HD2 TYR 62 111.067 11.736 5.822 439 HE1 TYR 62 HE1 TYR 62 112.462 13.488 1.397 440 HE2 TYR 62 HE2 TYR 62 109.933 13.720 4.861 441 HH TYR 62 HH TYR 62 110.409 14.699 1.585 442 H TYR 63 H TYR 63 114.175 10.080 7.964 443 HA TYR 63 HA TYR 63 115.377 7.379 7.700 444 HB2 TYR 63 1HB TYR 63 115.509 9.216 10.098 445 HB3 TYR 63 2HB TYR 63 116.270 7.644 9.939 446 HD1 TYR 63 HD1 TYR 63 118.215 7.342 8.424 447 HD2 TYR 63 HD2 TYR 63 116.469 11.199 9.139 448 HE1 TYR 63 HE1 TYR 63 120.240 8.430 7.495 449 HE2 TYR 63 HE2 TYR 63 118.494 12.287 8.211 450 HH TYR 63 HH TYR 63 121.330 10.383 7.257 451 H GLY 64 H GLY 64 113.936 5.801 8.167 452 HA2 GLY 64 1HA GLY 64 111.699 6.459 10.010 453 HA3 GLY 64 2HA GLY 64 111.481 5.504 8.549 454 H ILE 65 H ILE 65 111.418 5.130 11.679 455 HA ILE 65 HA ILE 65 112.698 2.448 11.601 456 HB ILE 65 HB ILE 65 112.258 4.210 14.034 457 HG12 ILE 65 1HG1 ILE 65 114.849 3.442 12.652 458 HG13 ILE 65 2HG1 ILE 65 114.059 5.007 12.470 459 HG21 ILE 65 1HG2 ILE 65 112.142 1.766 14.456 460 HG22 ILE 65 2HG2 ILE 65 113.568 2.490 15.197 461 HG23 ILE 65 3HG2 ILE 65 113.723 1.574 13.698 462 HD11 ILE 65 3HD1 ILE 65 114.127 5.138 15.044 463 HD12 ILE 65 1HD1 ILE 65 115.651 5.358 14.187 464 HD13 ILE 65 2HD1 ILE 65 115.287 3.812 14.954 465 H THR 66 H THR 66 111.192 0.873 11.574 466 HA THR 66 HA THR 66 108.510 1.502 12.685 467 HB THR 66 HB THR 66 107.427 0.478 10.887 468 HG1 THR 66 HG1 THR 66 108.472 -1.303 10.394 469 HG21 THR 66 3HG2 THR 66 109.354 1.506 8.986 470 HG22 THR 66 1HG2 THR 66 109.144 2.629 10.331 471 HG23 THR 66 2HG2 THR 66 107.748 2.112 9.385 472 H ALA 67 H ALA 67 107.282 -0.276 13.453 473 HA ALA 67 HA ALA 67 108.658 -2.841 13.747 474 HB1 ALA 67 1HB ALA 67 107.730 -2.745 16.221 475 HB2 ALA 67 2HB ALA 67 107.893 -1.005 15.986 476 HB3 ALA 67 3HB ALA 67 109.303 -2.053 15.832 477 H GLY 68 H GLY 68 107.169 -4.606 14.068 478 HA2 GLY 68 1HA GLY 68 104.333 -4.007 14.235 479 HA3 GLY 68 2HA GLY 68 104.866 -4.579 12.663 480 HA PRO 69 HA PRO 69 104.465 -8.410 15.227 481 HB2 PRO 69 1HB PRO 69 101.860 -8.853 15.759 482 HB3 PRO 69 2HB PRO 69 102.866 -7.845 16.820 483 HG2 PRO 69 1HG PRO 69 100.749 -7.059 14.945 484 HG3 PRO 69 2HG PRO 69 101.354 -6.229 16.387 485 HD2 PRO 69 1HD PRO 69 102.031 -5.700 13.646 486 HD3 PRO 69 2HD PRO 69 102.643 -4.883 15.100 487 H ALA 70 H ALA 70 104.774 -9.925 13.733 488 HA ALA 70 HA ALA 70 103.143 -10.218 11.359 489 HB1 ALA 70 1HB ALA 70 104.748 -11.695 10.626 490 HB2 ALA 70 2HB ALA 70 105.060 -12.331 12.241 491 HB3 ALA 70 3HB ALA 70 105.712 -10.763 11.770 492 H TYR 71 H TYR 71 101.629 -11.820 10.961 493 HA TYR 71 HA TYR 71 101.000 -13.671 13.185 494 HB2 TYR 71 1HB TYR 71 99.147 -12.527 11.082 495 HB3 TYR 71 2HB TYR 71 98.697 -13.699 12.306 496 HD1 TYR 71 HD2 TYR 71 98.428 -13.035 14.647 497 HD2 TYR 71 HD1 TYR 71 99.532 -10.185 11.629 498 HE1 TYR 71 HE2 TYR 71 97.890 -11.180 16.202 499 HE2 TYR 71 HE1 TYR 71 98.994 -8.330 13.184 500 HH TYR 71 HH TYR 71 97.830 -7.848 15.136 501 H ARG 72 H ARG 72 101.054 -15.821 12.681 502 HA ARG 72 HA ARG 72 102.184 -16.399 10.036 503 HB2 ARG 72 1HB ARG 72 103.414 -17.059 12.103 504 HB3 ARG 72 2HB ARG 72 102.090 -18.158 12.492 505 HG2 ARG 72 1HG ARG 72 102.449 -19.380 10.402 506 HG3 ARG 72 2HG ARG 72 103.727 -18.254 9.942 507 HD2 ARG 72 1HD ARG 72 104.790 -20.205 10.874 508 HD3 ARG 72 2HD ARG 72 104.947 -18.902 12.048 509 HE ARG 72 HE ARG 72 103.480 -20.039 13.466 510 HH11 ARG 72 1HH1 ARG 72 103.586 -21.662 10.355 511 HH12 ARG 72 2HH1 ARG 72 102.747 -23.058 10.943 512 HH21 ARG 72 1HH2 ARG 72 102.400 -21.860 14.165 513 HH22 ARG 72 2HH2 ARG 72 102.084 -23.167 13.072 514 H ILE 73 H ILE 73 100.676 -16.841 8.590 515 HA ILE 73 HA ILE 73 98.573 -18.793 9.190 516 HB ILE 73 HB ILE 73 99.108 -17.241 6.639 517 HG12 ILE 73 1HG1 ILE 73 97.027 -16.799 8.808 518 HG13 ILE 73 2HG1 ILE 73 98.484 -15.825 8.609 519 HG21 ILE 73 1HG2 ILE 73 97.874 -19.361 6.309 520 HG22 ILE 73 2HG2 ILE 73 96.827 -17.967 6.040 521 HG23 ILE 73 3HG2 ILE 73 96.715 -18.877 7.547 522 HD11 ILE 73 3HD1 ILE 73 96.025 -15.928 6.913 523 HD12 ILE 73 1HD1 ILE 73 97.563 -15.601 6.117 524 HD13 ILE 73 2HD1 ILE 73 96.991 -14.537 7.402 525 H ASN 74 H ASN 74 98.701 -20.895 8.517 526 HA ASN 74 HA ASN 74 101.237 -21.950 7.877 527 HB2 ASN 74 1HB ASN 74 98.503 -23.211 7.565 528 HB3 ASN 74 2HB ASN 74 100.035 -24.079 7.520 529 HD21 ASN 74 1HD2 ASN 74 101.435 -22.850 9.633 530 HD22 ASN 74 2HD2 ASN 74 100.616 -23.139 11.091 531 H ASP 75 H ASP 75 98.449 -21.154 5.817 532 HA ASP 75 HA ASP 75 99.596 -22.028 3.369 533 HB2 ASP 75 1HB ASP 75 97.173 -21.316 3.824 534 HB3 ASP 75 2HB ASP 75 97.750 -19.658 3.697 535 H TRP 76 H TRP 76 100.156 -20.272 1.617 536 HA TRP 76 HA TRP 76 102.313 -18.643 2.691 537 HB2 TRP 76 1HB TRP 76 101.369 -18.957 -0.162 538 HB3 TRP 76 2HB TRP 76 102.885 -18.249 0.364 539 HD1 TRP 76 HD1 TRP 76 101.792 -21.207 -1.200 540 HE1 TRP 76 HE1 TRP 76 103.272 -23.247 -0.657 541 HE3 TRP 76 HE3 TRP 76 104.261 -19.438 2.905 542 HZ2 TRP 76 HZ2 TRP 76 105.243 -24.027 1.268 543 HZ3 TRP 76 HZ3 TRP 76 105.929 -20.848 4.073 544 HH2 TRP 76 HH2 TRP 76 106.423 -23.137 3.264 545 H ALA 77 H ALA 77 100.051 -17.678 3.733 546 HA ALA 77 HA ALA 77 99.364 -15.275 2.158 547 HB1 ALA 77 1HB ALA 77 97.123 -15.408 2.900 548 HB2 ALA 77 2HB ALA 77 97.516 -16.617 4.123 549 HB3 ALA 77 3HB ALA 77 97.547 -17.049 2.412 550 H SER 78 H SER 78 101.513 -15.476 4.263 551 HA SER 78 HA SER 78 100.296 -14.949 6.819 552 HB2 SER 78 1HB SER 78 103.193 -14.688 5.965 553 HB3 SER 78 2HB SER 78 102.598 -14.693 7.620 554 HG SER 78 HG SER 78 103.216 -16.768 7.130 555 H ILE 79 H ILE 79 100.534 -12.959 8.049 556 HA ILE 79 HA ILE 79 100.685 -10.588 6.288 557 HB ILE 79 HB ILE 79 98.549 -9.766 7.200 558 HG12 ILE 79 1HG1 ILE 79 98.259 -12.548 8.377 559 HG13 ILE 79 2HG1 ILE 79 98.669 -11.115 9.323 560 HG21 ILE 79 1HG2 ILE 79 98.814 -11.310 5.106 561 HG22 ILE 79 2HG2 ILE 79 97.198 -11.002 5.739 562 HG23 ILE 79 3HG2 ILE 79 98.017 -12.519 6.112 563 HD11 ILE 79 3HD1 ILE 79 96.559 -10.040 8.445 564 HD12 ILE 79 1HD1 ILE 79 96.287 -11.428 9.499 565 HD13 ILE 79 2HD1 ILE 79 96.129 -11.605 7.751 566 H TYR 80 H TYR 80 101.309 -8.725 7.289 567 HA TYR 80 HA TYR 80 101.424 -8.688 10.225 568 HB2 TYR 80 1HB TYR 80 103.719 -7.974 10.273 569 HB3 TYR 80 2HB TYR 80 103.614 -9.508 9.435 570 HD1 TYR 80 HD1 TYR 80 103.305 -9.263 6.778 571 HD2 TYR 80 HD2 TYR 80 105.050 -6.313 9.367 572 HE1 TYR 80 HE1 TYR 80 104.519 -8.288 4.849 573 HE2 TYR 80 HE2 TYR 80 106.264 -5.338 7.434 574 HH TYR 80 HH TYR 80 107.050 -6.521 4.972 575 H GLY 81 H GLY 81 101.593 -6.601 11.129 576 HA2 GLY 81 1HA GLY 81 100.891 -4.398 9.254 577 HA3 GLY 81 2HA GLY 81 100.132 -4.590 10.835 578 H VAL 82 H VAL 82 101.896 -2.408 9.619 579 HA VAL 82 HA VAL 82 104.098 -2.472 11.602 580 HB VAL 82 HB VAL 82 104.347 -1.783 8.660 581 HG11 VAL 82 1HG1 VAL 82 105.955 -0.468 9.735 582 HG12 VAL 82 2HG1 VAL 82 106.854 -1.940 9.376 583 HG13 VAL 82 3HG1 VAL 82 106.231 -1.661 11.003 584 HG21 VAL 82 3HG2 VAL 82 104.092 -4.230 9.165 585 HG22 VAL 82 1HG2 VAL 82 105.512 -4.119 10.205 586 HG23 VAL 82 2HG2 VAL 82 105.659 -3.815 8.475 587 H VAL 83 H VAL 83 104.547 -0.555 12.561 588 HA VAL 83 HA VAL 83 103.574 1.919 11.298 589 HB VAL 83 HB VAL 83 101.931 1.312 13.032 590 HG11 VAL 83 1HG1 VAL 83 104.314 1.393 14.906 591 HG12 VAL 83 2HG1 VAL 83 103.409 -0.052 14.452 592 HG13 VAL 83 3HG1 VAL 83 102.628 1.216 15.398 593 HG21 VAL 83 3HG2 VAL 83 103.712 3.581 13.967 594 HG22 VAL 83 1HG2 VAL 83 101.985 3.402 14.266 595 HG23 VAL 83 2HG2 VAL 83 102.569 3.708 12.631 596 H GLY 84 H GLY 84 105.004 3.648 11.530 597 HA2 GLY 84 1HA GLY 84 107.323 3.288 13.290 598 HA3 GLY 84 2HA GLY 84 107.632 3.406 11.563 599 H VAL 85 H VAL 85 108.845 5.223 13.000 600 HA VAL 85 HA VAL 85 107.246 7.699 12.623 601 HB VAL 85 HB VAL 85 109.658 7.289 14.417 602 HG11 VAL 85 1HG1 VAL 85 107.758 9.618 14.012 603 HG12 VAL 85 2HG1 VAL 85 109.467 9.575 13.580 604 HG13 VAL 85 3HG1 VAL 85 108.985 9.535 15.276 605 HG21 VAL 85 3HG2 VAL 85 108.118 7.363 16.277 606 HG22 VAL 85 1HG2 VAL 85 107.537 6.125 15.163 607 HG23 VAL 85 2HG2 VAL 85 106.761 7.708 15.204 608 H GLY 86 H GLY 86 107.913 8.960 10.994 609 HA2 GLY 86 1HA GLY 86 110.642 8.498 9.898 610 HA3 GLY 86 2HA GLY 86 109.244 8.952 8.929 611 H TYR 87 H TYR 87 112.007 10.170 9.803 612 HA TYR 87 HA TYR 87 110.961 12.890 10.355 613 HB2 TYR 87 1HB TYR 87 113.692 11.775 11.005 614 HB3 TYR 87 2HB TYR 87 113.108 13.381 11.387 615 HD1 TYR 87 HD1 TYR 87 112.961 9.813 12.247 616 HD2 TYR 87 HD2 TYR 87 111.520 13.740 13.218 617 HE1 TYR 87 HE1 TYR 87 112.117 8.966 14.419 618 HE2 TYR 87 HE2 TYR 87 110.675 12.894 15.391 619 HH TYR 87 HH TYR 87 111.318 9.575 16.442 620 H GLY 88 H GLY 88 111.334 14.379 8.827 621 HA2 GLY 88 1HA GLY 88 113.289 13.759 6.684 622 HA3 GLY 88 2HA GLY 88 111.861 14.772 6.479 623 H LYS 89 H LYS 89 114.962 15.165 6.301 624 HA LYS 89 HA LYS 89 114.962 17.753 7.707 625 HB2 LYS 89 1HB LYS 89 116.032 16.066 9.197 626 HB3 LYS 89 2HB LYS 89 117.217 15.749 7.929 627 HG2 LYS 89 1HG LYS 89 117.870 18.151 7.978 628 HG3 LYS 89 2HG LYS 89 116.746 18.404 9.314 629 HD2 LYS 89 1HD LYS 89 117.980 16.652 10.615 630 HD3 LYS 89 2HD LYS 89 119.165 16.578 9.309 631 HE2 LYS 89 1HE LYS 89 120.152 18.111 10.774 632 HE3 LYS 89 2HE LYS 89 119.311 19.171 9.643 633 HZ1 LYS 89 3HZ LYS 89 117.664 18.294 11.825 634 HZ2 LYS 89 1HZ LYS 89 117.917 19.859 11.222 635 HZ3 LYS 89 2HZ LYS 89 119.014 19.191 12.334 636 H PHE 90 H PHE 90 115.984 19.357 6.616 637 HA PHE 90 HA PHE 90 117.488 18.624 4.179 638 HB2 PHE 90 1HB PHE 90 116.078 21.154 5.004 639 HB3 PHE 90 2HB PHE 90 117.184 21.086 3.645 640 HD1 PHE 90 HD1 PHE 90 113.957 19.846 4.981 641 HD2 PHE 90 HD2 PHE 90 116.528 20.112 1.552 642 HE1 PHE 90 HE1 PHE 90 112.103 19.060 3.531 643 HE2 PHE 90 HE2 PHE 90 114.677 19.325 0.103 644 HZ PHE 90 HZ PHE 90 112.465 18.799 1.091 645 H GLN 91 H GLN 91 119.605 19.115 3.991 646 HA GLN 91 HA GLN 91 120.915 20.214 6.382 647 HB2 GLN 91 1HB GLN 91 122.017 18.681 4.018 648 HB3 GLN 91 2HB GLN 91 122.984 19.270 5.371 649 HG2 GLN 91 1HG GLN 91 121.676 17.925 6.937 650 HG3 GLN 91 2HG GLN 91 120.627 17.384 5.630 651 HE21 GLN 91 1HE2 GLN 91 122.116 15.526 7.226 652 HE22 GLN 91 2HE2 GLN 91 123.286 14.795 6.237 653 H THR 92 H THR 92 122.380 21.906 6.287 654 HA THR 92 HA THR 92 122.161 23.612 3.881 655 HB THR 92 HB THR 92 122.908 24.414 6.703 656 HG1 THR 92 HG1 THR 92 120.770 23.762 6.632 657 HG21 THR 92 3HG2 THR 92 122.417 25.890 4.122 658 HG22 THR 92 1HG2 THR 92 123.783 26.033 5.228 659 HG23 THR 92 2HG2 THR 92 122.209 26.688 5.681 660 H THR 93 H THR 93 123.964 24.376 2.880 661 HA THR 93 HA THR 93 126.533 23.206 3.714 662 HB THR 93 HB THR 93 125.884 22.731 1.421 663 HG1 THR 93 HG1 THR 93 127.690 23.954 0.397 664 HG21 THR 93 3HG2 THR 93 125.426 25.696 1.348 665 HG22 THR 93 1HG2 THR 93 124.424 24.392 0.708 666 HG23 THR 93 2HG2 THR 93 125.901 24.861 -0.131 667 H GLU 94 H GLU 94 128.460 24.726 3.022 668 HA GLU 94 HA GLU 94 128.386 26.969 4.751 669 HB2 GLU 94 1HB GLU 94 130.450 25.705 4.149 670 HB3 GLU 94 2HB GLU 94 130.363 26.401 2.531 671 HG2 GLU 94 1HG GLU 94 131.875 27.769 3.801 672 HG3 GLU 94 2HG GLU 94 130.384 28.686 3.608 673 H TYR 95 H TYR 95 126.624 28.247 4.089 674 HA TYR 95 HA TYR 95 127.216 30.133 1.969 675 HB2 TYR 95 1HB TYR 95 125.152 28.017 1.722 676 HB3 TYR 95 2HB TYR 95 124.673 29.622 1.212 677 HD1 TYR 95 HD1 TYR 95 126.851 26.745 0.534 678 HD2 TYR 95 HD2 TYR 95 125.730 30.697 -0.721 679 HE1 TYR 95 HE1 TYR 95 127.991 26.379 -1.636 680 HE2 TYR 95 HE2 TYR 95 126.871 30.333 -2.891 681 HH TYR 95 HH TYR 95 129.013 28.527 -3.561 682 HA PRO 96 HA PRO 96 125.008 33.075 4.459 683 HB2 PRO 96 1HB PRO 96 122.887 33.306 2.358 684 HB3 PRO 96 2HB PRO 96 123.792 34.584 3.194 685 HG2 PRO 96 1HG PRO 96 124.374 33.893 0.699 686 HG3 PRO 96 2HG PRO 96 125.639 34.347 1.855 687 HD2 PRO 96 1HD PRO 96 124.958 31.656 0.790 688 HD3 PRO 96 2HD PRO 96 126.518 32.282 1.367 689 H THR 97 H THR 97 122.767 33.508 5.465 690 HA THR 97 HA THR 97 121.784 31.026 6.486 691 HB THR 97 HB THR 97 120.596 33.791 6.803 692 HG1 THR 97 HG1 THR 97 121.861 33.685 8.774 693 HG21 THR 97 3HG2 THR 97 119.032 32.184 7.581 694 HG22 THR 97 1HG2 THR 97 119.895 32.710 9.026 695 HG23 THR 97 2HG2 THR 97 120.300 31.170 8.271 696 H TYR 98 H TYR 98 120.093 29.830 5.863 697 HA TYR 98 HA TYR 98 118.065 31.007 4.082 698 HB2 TYR 98 1HB TYR 98 119.793 29.842 2.712 699 HB3 TYR 98 2HB TYR 98 119.429 28.360 3.575 700 HD1 TYR 98 HD1 TYR 98 117.331 27.156 3.177 701 HD2 TYR 98 HD2 TYR 98 118.256 30.790 1.082 702 HE1 TYR 98 HE1 TYR 98 115.520 26.679 1.551 703 HE2 TYR 98 HE2 TYR 98 116.445 30.313 -0.544 704 HH TYR 98 HH TYR 98 115.256 27.814 -1.288 705 H LYS 99 H LYS 99 116.018 30.171 4.344 706 HA LYS 99 HA LYS 99 115.554 28.694 6.790 707 HB2 LYS 99 1HB LYS 99 114.110 30.597 6.059 708 HB3 LYS 99 2HB LYS 99 113.558 29.607 4.707 709 HG2 LYS 99 1HG LYS 99 112.771 27.885 6.323 710 HG3 LYS 99 2HG LYS 99 113.244 28.950 7.650 711 HD2 LYS 99 1HD LYS 99 111.719 30.704 6.714 712 HD3 LYS 99 2HD LYS 99 111.165 29.529 5.521 713 HE2 LYS 99 1HE LYS 99 110.715 28.010 7.605 714 HE3 LYS 99 2HE LYS 99 110.753 29.530 8.500 715 HZ1 LYS 99 3HZ LYS 99 108.518 29.090 7.839 716 HZ2 LYS 99 1HZ LYS 99 108.977 28.845 6.223 717 HZ3 LYS 99 2HZ LYS 99 109.087 30.394 6.912 718 H HIS 100 H HIS 100 115.172 26.571 6.980 719 HA HIS 100 HA HIS 100 114.386 25.039 4.588 720 HB2 HIS 100 1HB HIS 100 115.930 23.218 5.354 721 HB3 HIS 100 2HB HIS 100 116.708 24.640 4.691 722 HD1 HIS 100 HD1 HIS 100 117.126 26.480 6.953 723 HD2 HIS 100 HD2 HIS 100 117.414 22.354 7.469 724 HE1 HIS 100 HE1 HIS 100 118.543 26.115 9.017 725 H ASP 101 H ASP 101 113.421 22.973 5.063 726 HA ASP 101 HA ASP 101 111.360 23.241 6.952 727 HB2 ASP 101 1HB ASP 101 112.319 20.759 5.525 728 HB3 ASP 101 2HB ASP 101 110.779 20.923 6.362 729 H THR 102 H THR 102 114.509 21.714 7.237 730 HA THR 102 HA THR 102 115.556 20.643 8.957 731 HB THR 102 HB THR 102 115.175 21.496 11.200 732 HG1 THR 102 HG1 THR 102 113.352 22.338 11.768 733 HG21 THR 102 3HG2 THR 102 115.159 23.483 8.939 734 HG22 THR 102 1HG2 THR 102 116.498 22.985 9.972 735 HG23 THR 102 2HG2 THR 102 115.225 24.020 10.616 736 H SER 103 H SER 103 114.840 19.579 11.336 737 HA SER 103 HA SER 103 113.659 17.164 10.488 738 HB2 SER 103 1HB SER 103 115.287 17.336 12.345 739 HB3 SER 103 2HB SER 103 114.068 18.158 13.315 740 HG SER 103 HG SER 103 113.873 16.040 13.834 741 H ASP 104 H ASP 104 111.660 16.424 10.489 742 HA ASP 104 HA ASP 104 109.649 17.445 12.321 743 HB2 ASP 104 1HB ASP 104 108.013 17.939 10.572 744 HB3 ASP 104 2HB ASP 104 109.433 18.961 10.378 745 H TYR 105 H TYR 105 108.023 15.896 12.702 746 HA TYR 105 HA TYR 105 108.760 13.222 11.681 747 HB2 TYR 105 1HB TYR 105 107.954 12.332 13.745 748 HB3 TYR 105 2HB TYR 105 109.059 13.645 14.094 749 HD1 TYR 105 HD1 TYR 105 108.187 15.823 14.930 750 HD2 TYR 105 HD2 TYR 105 105.636 12.415 14.357 751 HE1 TYR 105 HE1 TYR 105 106.445 16.888 16.339 752 HE2 TYR 105 HE2 TYR 105 103.896 13.479 15.766 753 HH TYR 105 HH TYR 105 104.233 16.795 16.907 754 H GLY 106 H GLY 106 107.252 11.764 11.013 755 HA2 GLY 106 1HA GLY 106 104.405 12.500 11.108 756 HA3 GLY 106 2HA GLY 106 105.119 12.065 9.554 757 H PHE 107 H PHE 107 103.016 10.555 10.645 758 HA PHE 107 HA PHE 107 104.326 8.151 11.759 759 HB2 PHE 107 1HB PHE 107 101.415 8.947 11.631 760 HB3 PHE 107 2HB PHE 107 102.013 7.440 12.296 761 HD1 PHE 107 HD1 PHE 107 103.357 7.442 14.391 762 HD2 PHE 107 HD2 PHE 107 101.549 11.015 12.837 763 HE1 PHE 107 HE1 PHE 107 103.664 8.552 16.587 764 HE2 PHE 107 HE2 PHE 107 101.855 12.126 15.035 765 HZ PHE 107 HZ PHE 107 102.912 10.893 16.909 766 H SER 108 H SER 108 104.663 6.438 10.480 767 HA SER 108 HA SER 108 103.138 6.266 7.935 768 HB2 SER 108 1HB SER 108 105.611 6.421 7.737 769 HB3 SER 108 2HB SER 108 105.754 4.945 8.685 770 HG SER 108 HG SER 108 104.590 5.330 6.134 771 H TYR 109 H TYR 109 101.864 4.538 7.527 772 HA TYR 109 HA TYR 109 102.021 2.206 9.354 773 HB2 TYR 109 1HB TYR 109 99.487 3.460 8.281 774 HB3 TYR 109 2HB TYR 109 99.588 2.049 9.317 775 HD1 TYR 109 HD1 TYR 109 99.843 5.710 9.137 776 HD2 TYR 109 HD2 TYR 109 100.082 2.274 11.704 777 HE1 TYR 109 HE1 TYR 109 99.703 7.187 11.124 778 HE2 TYR 109 HE2 TYR 109 99.943 3.751 13.692 779 HH TYR 109 HH TYR 109 100.347 6.051 14.304 780 H GLY 110 H GLY 110 101.655 0.173 8.342 781 HA2 GLY 110 1HA GLY 110 100.742 0.099 5.587 782 HA3 GLY 110 2HA GLY 110 102.442 -0.291 5.798 783 H ALA 111 H ALA 111 101.024 -2.169 4.680 784 HA ALA 111 HA ALA 111 101.089 -4.309 6.674 785 HB1 ALA 111 1HB ALA 111 98.922 -5.226 5.963 786 HB2 ALA 111 2HB ALA 111 98.680 -3.844 4.895 787 HB3 ALA 111 3HB ALA 111 98.722 -3.611 6.643 788 H GLY 112 H GLY 112 101.470 -6.383 5.738 789 HA2 GLY 112 1HA GLY 112 101.911 -6.439 2.829 790 HA3 GLY 112 2HA GLY 112 103.286 -6.754 3.875 791 H LEU 113 H LEU 113 102.306 -8.513 1.945 792 HA LEU 113 HA LEU 113 101.247 -10.770 3.551 793 HB2 LEU 113 1HB LEU 113 99.723 -9.947 1.727 794 HB3 LEU 113 2HB LEU 113 100.984 -10.341 0.561 795 HG LEU 113 HG LEU 113 100.931 -12.713 1.587 796 HD11 LEU 113 1HD1 LEU 113 98.466 -11.439 2.764 797 HD12 LEU 113 2HD1 LEU 113 99.677 -12.443 3.560 798 HD13 LEU 113 3HD1 LEU 113 98.521 -13.173 2.445 799 HD21 LEU 113 3HD2 LEU 113 98.387 -11.868 0.191 800 HD22 LEU 113 1HD2 LEU 113 99.270 -13.386 0.023 801 HD23 LEU 113 2HD2 LEU 113 99.941 -11.898 -0.643 802 H GLN 114 H GLN 114 102.339 -12.849 3.210 803 HA GLN 114 HA GLN 114 104.975 -12.525 1.864 804 HB2 GLN 114 1HB GLN 114 105.104 -12.399 4.355 805 HB3 GLN 114 2HB GLN 114 104.460 -14.039 4.425 806 HG2 GLN 114 1HG GLN 114 106.355 -14.799 2.986 807 HG3 GLN 114 2HG GLN 114 107.030 -13.173 3.074 808 HE21 GLN 114 1HE2 GLN 114 108.493 -12.858 4.753 809 HE22 GLN 114 2HE2 GLN 114 108.560 -13.789 6.170 810 H PHE 115 H PHE 115 105.510 -14.023 0.443 811 HA PHE 115 HA PHE 115 104.286 -16.715 0.652 812 HB2 PHE 115 1HB PHE 115 105.150 -15.201 -1.827 813 HB3 PHE 115 2HB PHE 115 104.671 -16.885 -1.810 814 HD1 PHE 115 HD1 PHE 115 102.325 -17.523 -1.533 815 HD2 PHE 115 HD2 PHE 115 103.529 -13.400 -1.584 816 HE1 PHE 115 HE1 PHE 115 99.965 -16.838 -1.867 817 HE2 PHE 115 HE2 PHE 115 101.169 -12.716 -1.918 818 HZ PHE 115 HZ PHE 115 99.387 -14.434 -2.060 819 H ASN 116 H ASN 116 105.850 -18.279 1.064 820 HA ASN 116 HA ASN 116 108.647 -17.584 0.430 821 HB2 ASN 116 1HB ASN 116 109.329 -18.142 2.722 822 HB3 ASN 116 2HB ASN 116 108.263 -16.738 2.654 823 HD21 ASN 116 1HD2 ASN 116 108.756 -19.588 4.340 824 HD22 ASN 116 2HD2 ASN 116 107.181 -19.828 4.924 825 HA PRO 117 HA PRO 117 109.142 -22.070 0.578 826 HB2 PRO 117 1HB PRO 117 111.075 -22.052 -1.488 827 HB3 PRO 117 2HB PRO 117 109.379 -22.534 -1.646 828 HG2 PRO 117 1HG PRO 117 110.596 -20.330 -2.843 829 HG3 PRO 117 2HG PRO 117 108.859 -20.653 -2.738 830 HD2 PRO 117 1HD PRO 117 110.539 -18.856 -1.031 831 HD3 PRO 117 2HD PRO 117 108.843 -18.664 -1.549 832 H MET 118 H MET 118 111.475 -23.175 0.737 833 HA MET 118 HA MET 118 112.693 -22.056 2.974 834 HB2 MET 118 1HB MET 118 113.816 -24.037 0.983 835 HB3 MET 118 2HB MET 118 114.504 -23.702 2.575 836 HG2 MET 118 1HG MET 118 112.289 -24.325 3.588 837 HG3 MET 118 2HG MET 118 111.751 -24.822 1.984 838 HE1 MET 118 3HE MET 118 114.695 -26.692 4.846 839 HE2 MET 118 1HE MET 118 114.016 -25.059 4.813 840 HE3 MET 118 2HE MET 118 115.430 -25.448 3.836 841 H GLU 119 H GLU 119 114.279 -20.669 3.343 842 HA GLU 119 HA GLU 119 116.185 -19.464 3.158 843 HB2 GLU 119 1HB GLU 119 116.844 -21.652 1.894 844 HB3 GLU 119 2HB GLU 119 116.772 -20.629 0.458 845 HG2 GLU 119 1HG GLU 119 118.333 -19.019 1.600 846 HG3 GLU 119 2HG GLU 119 118.462 -20.159 2.927 847 H ASN 120 H ASN 120 117.082 -18.588 0.210 848 HA ASN 120 HA ASN 120 116.201 -15.956 0.721 849 HB2 ASN 120 1HB ASN 120 118.363 -16.687 -0.360 850 HB3 ASN 120 2HB ASN 120 117.434 -16.956 -1.833 851 HD21 ASN 120 1HD2 ASN 120 117.421 -15.175 -3.200 852 HD22 ASN 120 2HD2 ASN 120 117.559 -13.559 -2.698 853 H VAL 121 H VAL 121 114.485 -18.410 -0.827 854 HA VAL 121 HA VAL 121 113.621 -16.872 -3.108 855 HB VAL 121 HB VAL 121 112.409 -19.485 -2.212 856 HG11 VAL 121 1HG1 VAL 121 111.165 -18.688 -4.021 857 HG12 VAL 121 2HG1 VAL 121 112.385 -19.643 -4.852 858 HG13 VAL 121 3HG1 VAL 121 112.555 -17.890 -4.754 859 HG21 VAL 121 3HG2 VAL 121 114.787 -19.928 -2.276 860 HG22 VAL 121 1HG2 VAL 121 114.969 -19.019 -3.776 861 HG23 VAL 121 2HG2 VAL 121 114.097 -20.551 -3.775 862 H ALA 122 H ALA 122 112.816 -15.993 -0.191 863 HA ALA 122 HA ALA 122 109.884 -16.189 -0.525 864 HB1 ALA 122 1HB ALA 122 109.797 -15.540 1.865 865 HB2 ALA 122 2HB ALA 122 111.560 -15.498 1.900 866 HB3 ALA 122 3HB ALA 122 110.720 -17.022 1.612 867 H LEU 123 H LEU 123 108.614 -14.379 -0.629 868 HA LEU 123 HA LEU 123 110.015 -11.789 -0.878 869 HB2 LEU 123 1HB LEU 123 109.617 -12.904 -3.113 870 HB3 LEU 123 2HB LEU 123 107.889 -12.778 -2.788 871 HG LEU 123 HG LEU 123 108.395 -10.258 -2.348 872 HD11 LEU 123 1HD1 LEU 123 110.363 -9.359 -3.224 873 HD12 LEU 123 2HD1 LEU 123 110.642 -10.741 -4.283 874 HD13 LEU 123 3HD1 LEU 123 110.947 -10.881 -2.553 875 HD21 LEU 123 3HD2 LEU 123 107.149 -11.310 -4.306 876 HD22 LEU 123 1HD2 LEU 123 108.675 -11.265 -5.191 877 HD23 LEU 123 2HD2 LEU 123 107.925 -9.764 -4.649 878 H ASP 124 H ASP 124 108.883 -10.042 -0.152 879 HA ASP 124 HA ASP 124 106.115 -10.491 0.808 880 HB2 ASP 124 1HB ASP 124 107.774 -10.405 2.675 881 HB3 ASP 124 2HB ASP 124 108.221 -8.782 2.150 882 H PHE 125 H PHE 125 104.657 -8.929 0.318 883 HA PHE 125 HA PHE 125 105.654 -6.536 -1.135 884 HB2 PHE 125 1HB PHE 125 104.443 -8.238 -2.541 885 HB3 PHE 125 2HB PHE 125 103.023 -7.967 -1.548 886 HD1 PHE 125 HD1 PHE 125 105.332 -6.451 -4.009 887 HD2 PHE 125 HD2 PHE 125 101.656 -6.003 -1.832 888 HE1 PHE 125 HE1 PHE 125 104.697 -4.551 -5.472 889 HE2 PHE 125 HE2 PHE 125 101.022 -4.105 -3.295 890 HZ PHE 125 HZ PHE 125 102.541 -3.378 -5.115 891 H SER 126 H SER 126 104.920 -4.569 -0.377 892 HA SER 126 HA SER 126 102.791 -4.607 1.667 893 HB2 SER 126 1HB SER 126 104.968 -4.841 2.833 894 HB3 SER 126 2HB SER 126 105.503 -3.340 2.088 895 HG SER 126 HG SER 126 104.573 -2.470 3.770 896 H TYR 127 H TYR 127 101.747 -2.669 2.012 897 HA TYR 127 HA TYR 127 102.405 -0.445 0.168 898 HB2 TYR 127 1HB TYR 127 100.336 -1.632 -0.459 899 HB3 TYR 127 2HB TYR 127 99.703 -1.385 1.153 900 HD1 TYR 127 HD1 TYR 127 98.896 0.817 1.863 901 HD2 TYR 127 HD2 TYR 127 100.439 0.167 -2.092 902 HE1 TYR 127 HE1 TYR 127 97.890 2.957 1.117 903 HE2 TYR 127 HE2 TYR 127 99.434 2.308 -2.837 904 HH TYR 127 HH TYR 127 98.454 4.215 -2.148 905 H GLU 128 H GLU 128 102.446 1.616 1.100 906 HA GLU 128 HA GLU 128 101.881 1.757 4.007 907 HB2 GLU 128 1HB GLU 128 104.343 2.819 2.608 908 HB3 GLU 128 2HB GLU 128 103.941 3.069 4.304 909 HG2 GLU 128 1HG GLU 128 103.937 0.604 4.635 910 HG3 GLU 128 2HG GLU 128 104.432 0.399 2.961 911 H GLN 129 H GLN 129 101.351 3.792 4.816 912 HA GLN 129 HA GLN 129 100.805 5.899 2.825 913 HB2 GLN 129 1HB GLN 129 98.933 4.748 4.891 914 HB3 GLN 129 2HB GLN 129 98.693 6.354 4.203 915 HG2 GLN 129 1HG GLN 129 98.987 3.833 2.549 916 HG3 GLN 129 2HG GLN 129 97.437 4.551 2.989 917 HE21 GLN 129 1HE2 GLN 129 99.668 4.486 0.501 918 HE22 GLN 129 2HE2 GLN 129 99.317 5.985 -0.211 919 H SER 130 H SER 130 101.396 7.846 3.389 920 HA SER 130 HA SER 130 102.053 8.440 6.203 921 HB2 SER 130 1HB SER 130 103.872 8.771 4.440 922 HB3 SER 130 2HB SER 130 102.872 10.067 3.793 923 HG SER 130 HG SER 130 103.312 11.261 5.499 924 H ARG 131 H ARG 131 101.295 10.508 7.022 925 HA ARG 131 HA ARG 131 98.450 10.423 6.387 926 HB2 ARG 131 1HB ARG 131 99.292 9.961 8.696 927 HB3 ARG 131 2HB ARG 131 99.873 11.624 8.777 928 HG2 ARG 131 1HG ARG 131 97.566 12.437 8.387 929 HG3 ARG 131 2HG ARG 131 96.993 10.769 8.365 930 HD2 ARG 131 1HD ARG 131 97.904 10.475 10.671 931 HD3 ARG 131 2HD ARG 131 98.330 12.184 10.686 932 HE ARG 131 HE ARG 131 96.062 12.718 10.896 933 HH11 ARG 131 1HH1 ARG 131 96.408 9.269 10.343 934 HH12 ARG 131 2HH1 ARG 131 94.762 8.934 10.767 935 HH21 ARG 131 1HH2 ARG 131 93.954 12.226 11.432 936 HH22 ARG 131 2HH2 ARG 131 93.392 10.589 11.376 937 H ILE 132 H ILE 132 97.169 12.547 6.487 938 HA ILE 132 HA ILE 132 98.491 13.502 4.080 939 HB ILE 132 HB ILE 132 95.618 13.807 4.966 940 HG12 ILE 132 1HG1 ILE 132 96.133 11.439 4.853 941 HG13 ILE 132 2HG1 ILE 132 95.158 11.876 3.456 942 HG21 ILE 132 1HG2 ILE 132 96.845 15.143 2.922 943 HG22 ILE 132 2HG2 ILE 132 95.138 14.728 2.958 944 HG23 ILE 132 3HG2 ILE 132 96.271 13.709 2.079 945 HD11 ILE 132 3HD1 ILE 132 97.650 12.250 2.432 946 HD12 ILE 132 1HD1 ILE 132 96.774 10.724 2.323 947 HD13 ILE 132 2HD1 ILE 132 97.976 10.962 3.589 948 H ARG 133 H ARG 133 99.828 15.039 4.908 949 HA ARG 133 HA ARG 133 98.679 17.677 5.411 950 HB2 ARG 133 1HB ARG 133 101.518 16.755 4.869 951 HB3 ARG 133 2HB ARG 133 101.051 18.423 5.202 952 HG2 ARG 133 1HG ARG 133 100.092 17.673 7.384 953 HG3 ARG 133 2HG ARG 133 100.706 16.051 7.058 954 HD2 ARG 133 1HD ARG 133 102.372 18.572 7.303 955 HD3 ARG 133 2HD ARG 133 102.280 17.268 8.484 956 HE ARG 133 HE ARG 133 103.041 16.136 6.042 957 HH11 ARG 133 1HH1 ARG 133 104.383 18.398 8.368 958 HH12 ARG 133 2HH1 ARG 133 106.018 17.989 7.969 959 HH21 ARG 133 1HH2 ARG 133 105.166 15.655 5.571 960 HH22 ARG 133 2HH2 ARG 133 106.455 16.456 6.406 961 H SER 134 H SER 134 99.926 19.338 3.709 962 HA SER 134 HA SER 134 98.463 19.155 1.357 963 HB2 SER 134 1HB SER 134 101.114 20.562 1.737 964 HB3 SER 134 2HB SER 134 99.944 20.886 0.464 965 HG SER 134 HG SER 134 100.019 21.989 2.799 966 H VAL 135 H VAL 135 101.437 17.481 2.124 967 HA VAL 135 HA VAL 135 101.439 16.385 -0.631 968 HB VAL 135 HB VAL 135 103.683 16.332 1.406 969 HG11 VAL 135 1HG1 VAL 135 103.600 15.557 -1.527 970 HG12 VAL 135 2HG1 VAL 135 103.665 14.425 -0.176 971 HG13 VAL 135 3HG1 VAL 135 105.024 15.507 -0.486 972 HG21 VAL 135 3HG2 VAL 135 103.427 17.954 -1.147 973 HG22 VAL 135 1HG2 VAL 135 104.770 17.995 -0.007 974 HG23 VAL 135 2HG2 VAL 135 103.187 18.609 0.472 975 H ASP 136 H ASP 136 100.930 14.270 -0.870 976 HA ASP 136 HA ASP 136 100.493 12.675 1.595 977 HB2 ASP 136 1HB ASP 136 99.084 12.366 -1.065 978 HB3 ASP 136 2HB ASP 136 98.683 11.567 0.449 979 H VAL 137 H VAL 137 101.320 10.548 1.667 980 HA VAL 137 HA VAL 137 103.124 9.896 -0.616 981 HB VAL 137 HB VAL 137 103.370 8.816 2.183 982 HG11 VAL 137 1HG1 VAL 137 104.394 7.532 0.318 983 HG12 VAL 137 2HG1 VAL 137 105.597 8.183 1.434 984 HG13 VAL 137 3HG1 VAL 137 105.323 8.966 -0.122 985 HG21 VAL 137 3HG2 VAL 137 104.849 11.141 0.903 986 HG22 VAL 137 1HG2 VAL 137 105.209 10.443 2.481 987 HG23 VAL 137 2HG2 VAL 137 103.680 11.280 2.214 988 H GLY 138 H GLY 138 102.746 8.151 -1.793 989 HA2 GLY 138 1HA GLY 138 101.392 5.845 -0.509 990 HA3 GLY 138 2HA GLY 138 101.138 6.262 -2.207 991 H THR 139 H THR 139 102.790 4.112 -0.323 992 HA THR 139 HA THR 139 105.118 4.057 -2.162 993 HB THR 139 HB THR 139 105.191 3.392 0.783 994 HG1 THR 139 HG1 THR 139 106.441 5.368 0.821 995 HG21 THR 139 3HG2 THR 139 106.855 2.184 -0.503 996 HG22 THR 139 1HG2 THR 139 107.660 3.493 0.360 997 HG23 THR 139 2HG2 THR 139 107.313 3.655 -1.361 998 H TRP 140 H TRP 140 105.562 2.177 -3.084 999 HA TRP 140 HA TRP 140 104.217 -0.265 -2.050 1000 HB2 TRP 140 1HB TRP 140 105.172 0.392 -4.846 1001 HB3 TRP 140 2HB TRP 140 104.515 -1.156 -4.349 1002 HD1 TRP 140 HD1 TRP 140 103.548 2.324 -5.389 1003 HE1 TRP 140 HE1 TRP 140 100.982 2.483 -5.579 1004 HE3 TRP 140 HE3 TRP 140 102.226 -2.133 -3.276 1005 HZ2 TRP 140 HZ2 TRP 140 98.672 0.926 -4.922 1006 HZ3 TRP 140 HZ3 TRP 140 99.842 -2.770 -3.072 1007 HH2 TRP 140 HH2 TRP 140 98.064 -1.249 -3.889 1008 H ILE 141 H ILE 141 105.537 -1.936 -1.407 1009 HA ILE 141 HA ILE 141 108.453 -1.575 -1.835 1010 HB ILE 141 HB ILE 141 107.099 -2.629 0.664 1011 HG12 ILE 141 1HG1 ILE 141 108.544 0.005 0.280 1012 HG13 ILE 141 2HG1 ILE 141 106.789 -0.148 0.245 1013 HG21 ILE 141 1HG2 ILE 141 109.319 -2.592 1.625 1014 HG22 ILE 141 2HG2 ILE 141 109.986 -1.837 0.175 1015 HG23 ILE 141 3HG2 ILE 141 109.400 -3.500 0.116 1016 HD11 ILE 141 3HD1 ILE 141 106.786 -1.027 2.524 1017 HD12 ILE 141 1HD1 ILE 141 107.644 0.513 2.490 1018 HD13 ILE 141 2HD1 ILE 141 108.549 -0.999 2.564 1019 H ALA 142 H ALA 142 109.590 -3.357 -2.445 1020 HA ALA 142 HA ALA 142 108.318 -6.006 -2.134 1021 HB1 ALA 142 1HB ALA 142 107.983 -5.542 -4.447 1022 HB2 ALA 142 2HB ALA 142 109.399 -6.589 -4.372 1023 HB3 ALA 142 3HB ALA 142 109.597 -4.855 -4.617 1024 H GLY 143 H GLY 143 109.633 -7.353 -1.050 1025 HA2 GLY 143 1HA GLY 143 112.555 -6.930 -1.217 1026 HA3 GLY 143 2HA GLY 143 111.769 -7.005 0.354 1027 H VAL 144 H VAL 144 113.829 -8.746 -0.662 1028 HA VAL 144 HA VAL 144 112.395 -11.328 -0.557 1029 HB VAL 144 HB VAL 144 113.176 -10.918 -2.860 1030 HG11 VAL 144 1HG1 VAL 144 115.922 -10.751 -1.582 1031 HG12 VAL 144 2HG1 VAL 144 115.054 -9.413 -2.335 1032 HG13 VAL 144 3HG1 VAL 144 115.599 -10.774 -3.316 1033 HG21 VAL 144 3HG2 VAL 144 114.838 -12.993 -1.399 1034 HG22 VAL 144 1HG2 VAL 144 114.463 -12.992 -3.123 1035 HG23 VAL 144 2HG2 VAL 144 113.175 -13.220 -1.941 1036 H GLY 145 H GLY 145 113.388 -12.923 0.713 1037 HA2 GLY 145 1HA GLY 145 115.923 -12.327 2.010 1038 HA3 GLY 145 2HA GLY 145 114.515 -12.242 3.055 1039 H TYR 146 H TYR 146 116.234 -13.909 3.908 1040 HA TYR 146 HA TYR 146 115.208 -16.592 3.240 1041 HB2 TYR 146 1HB TYR 146 117.402 -17.539 3.516 1042 HB3 TYR 146 2HB TYR 146 117.500 -16.268 2.318 1043 HD1 TYR 146 HD1 TYR 146 118.596 -14.103 2.876 1044 HD2 TYR 146 HD2 TYR 146 118.578 -17.422 5.602 1045 HE1 TYR 146 HE1 TYR 146 120.431 -13.050 4.170 1046 HE2 TYR 146 HE2 TYR 146 120.414 -16.370 6.897 1047 HH TYR 146 HH TYR 146 121.173 -13.614 7.094 1048 H ARG 147 H ARG 147 115.548 -18.142 5.061 1049 HA ARG 147 HA ARG 147 115.368 -16.778 7.686 1050 HB2 ARG 147 1HB ARG 147 113.939 -19.251 6.691 1051 HB3 ARG 147 2HB ARG 147 113.905 -18.685 8.362 1052 HG2 ARG 147 1HG ARG 147 112.983 -16.516 7.586 1053 HG3 ARG 147 2HG ARG 147 112.951 -17.137 5.935 1054 HD2 ARG 147 1HD ARG 147 111.485 -19.011 6.740 1055 HD3 ARG 147 2HD ARG 147 111.416 -18.220 8.310 1056 HE ARG 147 HE ARG 147 109.842 -16.802 7.423 1057 HH11 ARG 147 1HH1 ARG 147 111.730 -18.071 4.748 1058 HH12 ARG 147 2HH1 ARG 147 110.813 -17.204 3.564 1059 HH21 ARG 147 1HH2 ARG 147 108.693 -15.727 5.860 1060 HH22 ARG 147 2HH2 ARG 147 109.108 -15.892 4.186 1061 H PHE 148 H PHE 148 116.307 -17.809 9.479 1062 HA PHE 148 HA PHE 148 117.981 -18.934 10.564 1063 HB2 PHE 148 1HB PHE 148 116.534 -20.855 9.979 1064 HB3 PHE 148 2HB PHE 148 117.423 -21.049 8.482 1065 HD1 PHE 148 HD1 PHE 148 117.659 -21.243 12.177 1066 HD2 PHE 148 HD2 PHE 148 119.545 -22.157 8.428 1067 HE1 PHE 148 HE1 PHE 148 119.297 -22.687 13.353 1068 HE2 PHE 148 HE2 PHE 148 121.182 -23.601 9.602 1069 HZ PHE 148 HZ PHE 148 121.060 -23.865 12.065 Start of MODEL 20 1 H1 ALA 1 3H ALA 1 117.145 -21.316 17.402 2 H2 ALA 1 2H ALA 1 116.896 -20.835 19.012 3 H3 ALA 1 HT3 ALA 1 118.115 -20.104 18.082 4 HA ALA 1 HA ALA 1 115.188 -19.782 17.866 5 HB1 ALA 1 2HB ALA 1 115.976 -17.348 17.783 6 HB2 ALA 1 3HB ALA 1 117.571 -17.957 18.223 7 HB3 ALA 1 1HB ALA 1 116.207 -18.187 19.317 8 H THR 2 H THR 2 114.651 -18.173 16.063 9 HA THR 2 HA THR 2 116.197 -18.829 13.617 10 HB THR 2 HB THR 2 114.097 -18.859 12.377 11 HG1 THR 2 HG1 THR 2 112.965 -17.398 13.695 12 HG21 THR 2 3HG2 THR 2 113.060 -20.873 13.447 13 HG22 THR 2 1HG2 THR 2 114.085 -20.601 14.857 14 HG23 THR 2 2HG2 THR 2 114.813 -20.988 13.298 15 H SER 3 H SER 3 115.953 -17.243 11.878 16 HA SER 3 HA SER 3 115.015 -14.593 12.537 17 HB2 SER 3 1HB SER 3 117.979 -15.159 12.334 18 HB3 SER 3 2HB SER 3 117.282 -13.551 12.181 19 HG SER 3 HG SER 3 117.980 -14.192 14.345 20 H THR 4 H THR 4 114.944 -13.219 10.706 21 HA THR 4 HA THR 4 115.654 -14.513 8.131 22 HB THR 4 HB THR 4 113.623 -13.654 7.144 23 HG1 THR 4 HG1 THR 4 112.868 -12.725 9.696 24 HG21 THR 4 3HG2 THR 4 113.616 -15.812 8.591 25 HG22 THR 4 1HG2 THR 4 112.063 -15.112 8.130 26 HG23 THR 4 2HG2 THR 4 112.704 -14.849 9.752 27 H VAL 5 H VAL 5 116.129 -13.083 6.406 28 HA VAL 5 HA VAL 5 116.577 -10.252 7.158 29 HB VAL 5 HB VAL 5 118.503 -11.960 5.555 30 HG11 VAL 5 1HG1 VAL 5 118.529 -9.632 4.844 31 HG12 VAL 5 2HG1 VAL 5 119.971 -9.945 5.812 32 HG13 VAL 5 3HG1 VAL 5 118.603 -9.086 6.520 33 HG21 VAL 5 3HG2 VAL 5 118.435 -11.080 8.434 34 HG22 VAL 5 1HG2 VAL 5 119.981 -11.327 7.622 35 HG23 VAL 5 2HG2 VAL 5 118.838 -12.663 7.771 36 H THR 6 H THR 6 115.482 -8.949 5.804 37 HA THR 6 HA THR 6 115.115 -9.839 2.999 38 HB THR 6 HB THR 6 113.053 -8.397 4.678 39 HG1 THR 6 HG1 THR 6 113.019 -10.433 5.397 40 HG21 THR 6 3HG2 THR 6 113.064 -9.520 1.868 41 HG22 THR 6 1HG2 THR 6 112.835 -7.839 2.345 42 HG23 THR 6 2HG2 THR 6 111.595 -9.036 2.716 43 H GLY 7 H GLY 7 115.446 -8.321 1.457 44 HA2 GLY 7 1HA GLY 7 115.646 -5.490 2.300 45 HA3 GLY 7 2HA GLY 7 116.883 -6.204 1.263 46 H GLY 8 H GLY 8 114.752 -4.039 0.821 47 HA2 GLY 8 1HA GLY 8 113.835 -5.075 -1.762 48 HA3 GLY 8 2HA GLY 8 112.591 -4.600 -0.613 49 H TYR 9 H TYR 9 112.544 -3.378 -2.932 50 HA TYR 9 HA TYR 9 113.710 -0.692 -2.458 51 HB2 TYR 9 1HB TYR 9 113.148 -2.022 -5.117 52 HB3 TYR 9 2HB TYR 9 113.765 -0.396 -4.891 53 HD1 TYR 9 HD2 TYR 9 116.083 -0.012 -4.206 54 HD2 TYR 9 HD1 TYR 9 114.547 -3.984 -4.766 55 HE1 TYR 9 HE2 TYR 9 118.397 -0.906 -4.210 56 HE2 TYR 9 HE1 TYR 9 116.859 -4.879 -4.770 57 HH TYR 9 HH TYR 9 119.497 -3.148 -5.295 58 H ALA 10 H ALA 10 112.300 1.013 -2.638 59 HA ALA 10 HA ALA 10 109.488 0.366 -3.290 60 HB1 ALA 10 1HB ALA 10 110.122 2.330 -1.128 61 HB2 ALA 10 2HB ALA 10 110.215 0.608 -0.761 62 HB3 ALA 10 3HB ALA 10 108.703 1.305 -1.337 63 H GLN 11 H GLN 11 108.262 2.004 -4.167 64 HA GLN 11 HA GLN 11 109.730 4.458 -4.969 65 HB2 GLN 11 1HB GLN 11 107.480 3.074 -6.453 66 HB3 GLN 11 2HB GLN 11 108.348 4.513 -6.978 67 HG2 GLN 11 1HG GLN 11 109.561 1.765 -6.567 68 HG3 GLN 11 2HG GLN 11 109.211 2.514 -8.121 69 HE21 GLN 11 1HE2 GLN 11 111.810 1.803 -6.348 70 HE22 GLN 11 2HE2 GLN 11 112.783 3.163 -6.634 71 H SER 12 H SER 12 108.744 6.396 -4.552 72 HA SER 12 HA SER 12 106.128 6.280 -3.159 73 HB2 SER 12 1HB SER 12 108.099 7.087 -1.815 74 HB3 SER 12 2HB SER 12 108.256 8.422 -2.952 75 HG SER 12 HG SER 12 106.964 8.871 -1.048 76 H ASP 13 H ASP 13 104.502 7.600 -3.843 77 HA ASP 13 HA ASP 13 104.686 8.327 -6.626 78 HB2 ASP 13 1HB ASP 13 102.404 8.523 -4.650 79 HB3 ASP 13 2HB ASP 13 102.267 8.837 -6.378 80 H ALA 14 H ALA 14 104.511 10.300 -7.551 81 HA ALA 14 HA ALA 14 105.073 12.593 -5.790 82 HB1 ALA 14 1HB ALA 14 105.993 13.649 -7.832 83 HB2 ALA 14 2HB ALA 14 105.598 12.191 -8.743 84 HB3 ALA 14 3HB ALA 14 106.797 12.125 -7.452 85 H GLN 15 H GLN 15 103.906 14.437 -5.877 86 HA GLN 15 HA GLN 15 101.313 14.357 -7.224 87 HB2 GLN 15 1HB GLN 15 101.583 15.098 -4.825 88 HB3 GLN 15 2HB GLN 15 102.468 16.499 -5.421 89 HG2 GLN 15 1HG GLN 15 100.481 17.124 -6.796 90 HG3 GLN 15 2HG GLN 15 99.601 15.771 -6.084 91 HE21 GLN 15 1HE2 GLN 15 98.340 16.386 -4.332 92 HE22 GLN 15 2HE2 GLN 15 98.686 17.679 -3.288 93 H GLY 16 H GLY 16 100.641 16.152 -8.628 94 HA2 GLY 16 1HA GLY 16 102.359 16.541 -10.753 95 HA3 GLY 16 2HA GLY 16 100.971 17.569 -10.421 96 H GLN 17 H GLN 17 103.779 18.053 -11.412 97 HA GLN 17 HA GLN 17 105.407 19.637 -11.285 98 HB2 GLN 17 1HB GLN 17 103.689 20.966 -9.177 99 HB3 GLN 17 2HB GLN 17 104.987 21.702 -10.106 100 HG2 GLN 17 1HG GLN 17 102.399 20.609 -11.245 101 HG3 GLN 17 2HG GLN 17 102.802 22.310 -11.049 102 HE21 GLN 17 1HE2 GLN 17 102.493 20.205 -13.466 103 HE22 GLN 17 2HE2 GLN 17 103.773 20.671 -14.478 104 H MET 18 H MET 18 105.576 17.256 -9.678 105 HA MET 18 HA MET 18 107.755 18.192 -7.979 106 HB2 MET 18 1HB MET 18 105.611 16.346 -6.895 107 HB3 MET 18 2HB MET 18 107.087 16.825 -6.064 108 HG2 MET 18 1HG MET 18 106.351 19.219 -6.262 109 HG3 MET 18 2HG MET 18 104.811 18.639 -6.897 110 HE1 MET 18 3HE MET 18 106.550 18.423 -2.719 111 HE2 MET 18 1HE MET 18 107.317 18.857 -4.252 112 HE3 MET 18 2HE MET 18 107.123 17.163 -3.812 113 H ASN 19 H ASN 19 108.939 16.141 -7.079 114 HA ASN 19 HA ASN 19 109.149 14.231 -9.331 115 HB2 ASN 19 1HB ASN 19 111.469 13.934 -8.677 116 HB3 ASN 19 2HB ASN 19 111.133 15.644 -8.930 117 HD21 ASN 19 1HD2 ASN 19 113.334 15.108 -7.383 118 HD22 ASN 19 2HD2 ASN 19 113.013 15.409 -5.743 119 H LYS 20 H LYS 20 109.749 12.029 -8.810 120 HA LYS 20 HA LYS 20 108.306 11.027 -6.488 121 HB2 LYS 20 1HB LYS 20 109.742 9.601 -8.741 122 HB3 LYS 20 2HB LYS 20 108.809 8.801 -7.475 123 HG2 LYS 20 1HG LYS 20 106.811 10.125 -8.162 124 HG3 LYS 20 2HG LYS 20 107.752 10.802 -9.490 125 HD2 LYS 20 1HD LYS 20 108.165 8.483 -10.323 126 HD3 LYS 20 2HD LYS 20 107.096 7.875 -9.058 127 HE2 LYS 20 1HE LYS 20 105.211 9.052 -9.974 128 HE3 LYS 20 2HE LYS 20 106.239 9.941 -11.100 129 HZ1 LYS 20 3HZ LYS 20 106.849 7.402 -11.690 130 HZ2 LYS 20 1HZ LYS 20 105.673 8.314 -12.506 131 HZ3 LYS 20 2HZ LYS 20 105.210 7.246 -11.269 132 H MET 21 H MET 21 109.428 9.095 -5.309 133 HA MET 21 HA MET 21 112.272 9.780 -4.793 134 HB2 MET 21 1HB MET 21 110.122 9.347 -2.709 135 HB3 MET 21 2HB MET 21 111.847 9.486 -2.366 136 HG2 MET 21 1HG MET 21 111.824 11.732 -3.496 137 HG3 MET 21 2HG MET 21 110.070 11.600 -3.613 138 HE1 MET 21 3HE MET 21 108.539 11.166 -1.723 139 HE2 MET 21 1HE MET 21 108.848 11.462 -0.007 140 HE3 MET 21 2HE MET 21 109.460 10.000 -0.776 141 H GLY 22 H GLY 22 113.488 8.060 -3.713 142 HA2 GLY 22 1HA GLY 22 112.310 5.370 -4.176 143 HA3 GLY 22 2HA GLY 22 113.979 5.761 -4.593 144 H GLY 23 H GLY 23 112.797 3.803 -2.618 145 HA2 GLY 23 1HA GLY 23 114.336 4.713 -0.266 146 HA3 GLY 23 2HA GLY 23 112.698 4.105 -0.064 147 H PHE 24 H PHE 24 115.423 3.157 0.831 148 HA PHE 24 HA PHE 24 115.214 0.373 -0.176 149 HB2 PHE 24 1HB PHE 24 117.398 1.502 -0.592 150 HB3 PHE 24 2HB PHE 24 117.576 1.731 1.137 151 HD1 PHE 24 HD1 PHE 24 117.461 -0.772 -1.588 152 HD2 PHE 24 HD2 PHE 24 118.258 -0.074 2.576 153 HE1 PHE 24 HE1 PHE 24 118.502 -3.014 -1.413 154 HE2 PHE 24 HE2 PHE 24 119.300 -2.319 2.750 155 HZ PHE 24 HZ PHE 24 119.422 -3.789 0.757 156 H ASN 25 H ASN 25 114.745 -1.210 1.308 157 HA ASN 25 HA ASN 25 114.652 -0.397 4.162 158 HB2 ASN 25 1HB ASN 25 112.545 -1.926 2.625 159 HB3 ASN 25 2HB ASN 25 112.544 -1.681 4.368 160 HD21 ASN 25 1HD2 ASN 25 110.328 -0.681 3.298 161 HD22 ASN 25 2HD2 ASN 25 110.398 1.001 3.078 162 H LEU 26 H LEU 26 115.359 -1.845 5.604 163 HA LEU 26 HA LEU 26 115.786 -4.641 4.728 164 HB2 LEU 26 1HB LEU 26 117.926 -3.264 4.837 165 HB3 LEU 26 2HB LEU 26 117.651 -3.134 6.573 166 HG LEU 26 HG LEU 26 117.559 -5.853 5.308 167 HD11 LEU 26 1HD1 LEU 26 120.172 -4.717 6.272 168 HD12 LEU 26 2HD1 LEU 26 119.673 -4.474 4.598 169 HD13 LEU 26 3HD1 LEU 26 119.885 -6.108 5.226 170 HD21 LEU 26 3HD2 LEU 26 118.142 -4.639 7.995 171 HD22 LEU 26 1HD2 LEU 26 118.788 -6.234 7.614 172 HD23 LEU 26 2HD2 LEU 26 117.049 -5.960 7.586 173 H LYS 27 H LYS 27 114.953 -6.141 6.170 174 HA LYS 27 HA LYS 27 114.193 -5.179 8.843 175 HB2 LYS 27 1HB LYS 27 111.900 -5.881 8.604 176 HB3 LYS 27 2HB LYS 27 112.288 -4.733 7.325 177 HG2 LYS 27 1HG LYS 27 112.685 -6.652 5.780 178 HG3 LYS 27 2HG LYS 27 112.158 -7.752 7.058 179 HD2 LYS 27 1HD LYS 27 109.999 -6.393 7.150 180 HD3 LYS 27 2HD LYS 27 110.528 -5.625 5.653 181 HE2 LYS 27 1HE LYS 27 109.186 -7.429 4.923 182 HE3 LYS 27 2HE LYS 27 110.835 -8.028 4.752 183 HZ1 LYS 27 3HZ LYS 27 109.510 -9.679 5.836 184 HZ2 LYS 27 1HZ LYS 27 108.974 -8.568 6.999 185 HZ3 LYS 27 2HZ LYS 27 110.605 -9.044 6.969 186 H TYR 28 H TYR 28 113.709 -6.771 10.356 187 HA TYR 28 HA TYR 28 114.573 -9.514 9.645 188 HB2 TYR 28 1HB TYR 28 115.040 -8.035 12.241 189 HB3 TYR 28 2HB TYR 28 115.482 -9.702 11.920 190 HD1 TYR 28 HD1 TYR 28 117.247 -10.195 10.180 191 HD2 TYR 28 HD2 TYR 28 116.415 -6.219 11.576 192 HE1 TYR 28 HE1 TYR 28 119.433 -9.426 9.297 193 HE2 TYR 28 HE2 TYR 28 118.601 -5.450 10.694 194 HH TYR 28 HH TYR 28 120.612 -7.526 8.708 195 H ARG 29 H ARG 29 113.361 -11.174 10.449 196 HA ARG 29 HA ARG 29 111.049 -10.510 12.161 197 HB2 ARG 29 1HB ARG 29 110.307 -10.651 9.802 198 HB3 ARG 29 2HB ARG 29 110.971 -12.278 9.703 199 HG2 ARG 29 1HG ARG 29 109.456 -12.989 11.538 200 HG3 ARG 29 2HG ARG 29 108.755 -11.372 11.563 201 HD2 ARG 29 1HD ARG 29 108.128 -11.645 9.165 202 HD3 ARG 29 2HD ARG 29 108.746 -13.293 9.218 203 HE ARG 29 HE ARG 29 106.221 -12.387 10.208 204 HH11 ARG 29 1HH1 ARG 29 108.759 -14.726 10.858 205 HH12 ARG 29 2HH1 ARG 29 107.680 -15.828 11.647 206 HH21 ARG 29 1HH2 ARG 29 104.879 -13.852 11.232 207 HH22 ARG 29 2HH2 ARG 29 105.513 -15.336 11.857 208 H TYR 30 H TYR 30 110.484 -12.069 13.643 209 HA TYR 30 HA TYR 30 112.293 -14.396 13.847 210 HB2 TYR 30 1HB TYR 30 110.518 -13.098 15.920 211 HB3 TYR 30 2HB TYR 30 111.540 -14.496 16.196 212 HD1 TYR 30 HD2 TYR 30 113.971 -14.266 16.351 213 HD2 TYR 30 HD1 TYR 30 111.445 -10.859 15.677 214 HE1 TYR 30 HE2 TYR 30 115.857 -12.758 16.919 215 HE2 TYR 30 HE1 TYR 30 113.330 -9.349 16.246 216 HH TYR 30 HH TYR 30 116.095 -10.369 17.800 217 H GLU 31 H GLU 31 111.456 -16.476 14.002 218 HA GLU 31 HA GLU 31 108.706 -16.742 13.026 219 HB2 GLU 31 1HB GLU 31 110.603 -17.998 11.952 220 HB3 GLU 31 2HB GLU 31 110.771 -18.913 13.450 221 HG2 GLU 31 1HG GLU 31 108.391 -19.613 13.257 222 HG3 GLU 31 2HG GLU 31 108.291 -18.772 11.717 223 H GLU 32 H GLU 32 107.081 -17.227 14.302 224 HA GLU 32 HA GLU 32 107.606 -18.367 16.973 225 HB2 GLU 32 1HB GLU 32 105.893 -15.949 16.365 226 HB3 GLU 32 2HB GLU 32 106.027 -16.736 17.938 227 HG2 GLU 32 1HG GLU 32 108.336 -15.518 16.399 228 HG3 GLU 32 2HG GLU 32 107.523 -14.765 17.764 229 H ASP 33 H ASP 33 105.843 -19.402 17.953 230 HA ASP 33 HA ASP 33 104.195 -20.858 16.112 231 HB2 ASP 33 1HB ASP 33 104.248 -20.812 19.138 232 HB3 ASP 33 2HB ASP 33 103.328 -21.955 18.164 233 H ASN 34 H ASN 34 101.799 -21.206 17.042 234 HA ASN 34 HA ASN 34 100.323 -18.975 16.274 235 HB2 ASN 34 1HB ASN 34 99.543 -21.376 16.414 236 HB3 ASN 34 2HB ASN 34 99.329 -21.123 18.146 237 HD21 ASN 34 1HD2 ASN 34 97.232 -20.528 18.673 238 HD22 ASN 34 2HD2 ASN 34 96.185 -19.644 17.671 239 H SER 35 H SER 35 101.533 -19.819 19.503 240 HA SER 35 HA SER 35 99.631 -17.966 20.727 241 HB2 SER 35 1HB SER 35 100.376 -20.345 21.573 242 HB3 SER 35 2HB SER 35 101.684 -19.429 22.314 243 HG SER 35 HG SER 35 99.258 -19.714 23.216 244 HA PRO 36 HA PRO 36 103.290 -15.285 21.349 245 HB2 PRO 36 1HB PRO 36 105.807 -16.115 20.385 246 HB3 PRO 36 2HB PRO 36 105.242 -16.206 22.060 247 HG2 PRO 36 1HG PRO 36 105.816 -18.357 20.363 248 HG3 PRO 36 2HG PRO 36 105.013 -18.424 21.940 249 HD2 PRO 36 1HD PRO 36 103.805 -18.458 19.217 250 HD3 PRO 36 2HD PRO 36 103.245 -19.260 20.704 251 H LEU 37 H LEU 37 103.488 -13.511 20.081 252 HA LEU 37 HA LEU 37 102.958 -13.763 17.259 253 HB2 LEU 37 1HB LEU 37 103.224 -11.481 19.193 254 HB3 LEU 37 2HB LEU 37 103.275 -11.158 17.467 255 HG LEU 37 HG LEU 37 101.000 -10.907 18.432 256 HD11 LEU 37 1HD1 LEU 37 101.492 -11.674 16.039 257 HD12 LEU 37 2HD1 LEU 37 99.864 -11.963 16.652 258 HD13 LEU 37 3HD1 LEU 37 101.028 -13.287 16.582 259 HD21 LEU 37 3HD2 LEU 37 100.873 -13.900 18.723 260 HD22 LEU 37 1HD2 LEU 37 99.793 -12.674 19.388 261 HD23 LEU 37 2HD2 LEU 37 101.404 -12.893 20.069 262 H GLY 38 H GLY 38 104.227 -12.690 15.593 263 HA2 GLY 38 1HA GLY 38 107.097 -13.149 16.007 264 HA3 GLY 38 2HA GLY 38 106.287 -12.942 14.454 265 H VAL 39 H VAL 39 108.658 -11.517 15.776 266 HA VAL 39 HA VAL 39 107.549 -8.777 15.946 267 HB VAL 39 HB VAL 39 110.272 -9.791 16.806 268 HG11 VAL 39 1HG1 VAL 39 108.835 -7.143 17.068 269 HG12 VAL 39 2HG1 VAL 39 110.413 -7.452 16.343 270 HG13 VAL 39 3HG1 VAL 39 110.203 -7.581 18.089 271 HG21 VAL 39 3HG2 VAL 39 109.283 -9.384 19.119 272 HG22 VAL 39 1HG2 VAL 39 108.633 -10.779 18.258 273 HG23 VAL 39 2HG2 VAL 39 107.707 -9.280 18.336 274 H ILE 40 H ILE 40 107.882 -7.398 14.302 275 HA ILE 40 HA ILE 40 110.093 -7.984 12.407 276 HB ILE 40 HB ILE 40 107.424 -6.675 11.805 277 HG12 ILE 40 1HG1 ILE 40 108.458 -9.391 10.944 278 HG13 ILE 40 2HG1 ILE 40 107.332 -9.156 12.281 279 HG21 ILE 40 1HG2 ILE 40 109.704 -7.548 9.999 280 HG22 ILE 40 2HG2 ILE 40 109.289 -5.879 10.393 281 HG23 ILE 40 3HG2 ILE 40 108.168 -6.869 9.459 282 HD11 ILE 40 3HD1 ILE 40 106.140 -9.706 10.181 283 HD12 ILE 40 1HD1 ILE 40 106.850 -8.284 9.417 284 HD13 ILE 40 2HD1 ILE 40 105.721 -8.093 10.759 285 H GLY 41 H GLY 41 111.535 -6.397 12.141 286 HA2 GLY 41 1HA GLY 41 110.755 -3.621 12.799 287 HA3 GLY 41 2HA GLY 41 112.255 -4.292 13.439 288 H SER 42 H SER 42 111.560 -2.094 11.360 289 HA SER 42 HA SER 42 113.470 -3.031 9.316 290 HB2 SER 42 1HB SER 42 111.127 -3.447 8.512 291 HB3 SER 42 2HB SER 42 110.840 -1.713 8.622 292 HG SER 42 HG SER 42 111.822 -2.958 6.597 293 H PHE 43 H PHE 43 114.699 -1.458 8.381 294 HA PHE 43 HA PHE 43 114.299 1.320 9.340 295 HB2 PHE 43 1HB PHE 43 116.860 -0.089 8.566 296 HB3 PHE 43 2HB PHE 43 116.731 1.604 9.007 297 HD1 PHE 43 HD1 PHE 43 116.165 2.244 11.350 298 HD2 PHE 43 HD2 PHE 43 116.878 -1.834 10.207 299 HE1 PHE 43 HE1 PHE 43 116.469 1.628 13.734 300 HE2 PHE 43 HE2 PHE 43 117.183 -2.450 12.590 301 HZ PHE 43 HZ PHE 43 116.977 -0.718 14.354 302 H THR 44 H THR 44 114.134 2.888 7.801 303 HA THR 44 HA THR 44 114.520 2.070 4.974 304 HB THR 44 HB THR 44 112.540 3.308 4.359 305 HG1 THR 44 HG1 THR 44 112.132 4.913 5.633 306 HG21 THR 44 3HG2 THR 44 112.433 0.928 5.602 307 HG22 THR 44 1HG2 THR 44 110.984 1.768 5.053 308 HG23 THR 44 2HG2 THR 44 111.476 1.873 6.743 309 H TYR 45 H TYR 45 115.511 3.504 3.664 310 HA TYR 45 HA TYR 45 115.972 6.256 4.672 311 HB2 TYR 45 1HB TYR 45 117.876 4.618 2.989 312 HB3 TYR 45 2HB TYR 45 118.147 6.240 3.596 313 HD1 TYR 45 HD1 TYR 45 118.513 6.612 6.041 314 HD2 TYR 45 HD2 TYR 45 118.223 2.677 4.342 315 HE1 TYR 45 HE1 TYR 45 119.536 5.652 8.087 316 HE2 TYR 45 HE2 TYR 45 119.245 1.718 6.388 317 HH TYR 45 HH TYR 45 120.914 3.444 8.589 318 H THR 46 H THR 46 115.452 7.869 3.222 319 HA THR 46 HA THR 46 114.567 6.983 0.528 320 HB THR 46 HB THR 46 113.563 9.379 2.074 321 HG1 THR 46 HG1 THR 46 112.867 7.603 3.166 322 HG21 THR 46 3HG2 THR 46 113.403 9.352 -0.448 323 HG22 THR 46 1HG2 THR 46 111.853 9.457 0.384 324 HG23 THR 46 2HG2 THR 46 112.384 7.921 -0.301 325 H GLU 47 H GLU 47 115.198 8.164 -1.252 326 HA GLU 47 HA GLU 47 116.899 10.516 -0.818 327 HB2 GLU 47 1HB GLU 47 117.786 8.056 -2.341 328 HB3 GLU 47 2HB GLU 47 118.657 9.588 -2.288 329 HG2 GLU 47 1HG GLU 47 117.992 7.870 0.120 330 HG3 GLU 47 2HG GLU 47 119.564 7.955 -0.660 331 H LYS 48 H LYS 48 116.955 11.927 -2.517 332 HA LYS 48 HA LYS 48 116.356 11.222 -5.196 333 HB2 LYS 48 1HB LYS 48 114.039 11.182 -4.267 334 HB3 LYS 48 2HB LYS 48 114.235 12.867 -3.792 335 HG2 LYS 48 1HG LYS 48 113.120 12.933 -5.894 336 HG3 LYS 48 2HG LYS 48 114.799 13.339 -6.247 337 HD2 LYS 48 1HD LYS 48 115.245 11.048 -6.963 338 HD3 LYS 48 2HD LYS 48 113.613 10.559 -6.505 339 HE2 LYS 48 1HE LYS 48 113.576 10.923 -8.876 340 HE3 LYS 48 2HE LYS 48 112.755 12.302 -8.143 341 HZ1 LYS 48 3HZ LYS 48 114.377 12.943 -9.856 342 HZ2 LYS 48 1HZ LYS 48 115.619 12.262 -8.923 343 HZ3 LYS 48 2HZ LYS 48 114.747 13.597 -8.333 344 H SER 49 H SER 49 117.157 12.766 -6.550 345 HA SER 49 HA SER 49 117.422 15.515 -5.977 346 HB2 SER 49 1HB SER 49 119.770 15.686 -5.403 347 HB3 SER 49 2HB SER 49 118.985 14.645 -4.224 348 HG SER 49 HG SER 49 120.682 13.980 -6.379 349 H ARG 50 H ARG 50 119.433 16.395 -7.354 350 HA ARG 50 HA ARG 50 119.120 15.364 -10.046 351 HB2 ARG 50 1HB ARG 50 119.369 17.818 -9.473 352 HB3 ARG 50 2HB ARG 50 121.047 17.479 -9.054 353 HG2 ARG 50 1HG ARG 50 121.439 16.621 -11.342 354 HG3 ARG 50 2HG ARG 50 119.766 16.994 -11.760 355 HD2 ARG 50 1HD ARG 50 120.206 19.384 -11.172 356 HD3 ARG 50 2HD ARG 50 121.898 18.972 -10.909 357 HE ARG 50 HE ARG 50 122.179 19.029 -13.193 358 HH11 ARG 50 1HH1 ARG 50 118.771 18.464 -12.567 359 HH12 ARG 50 2HH1 ARG 50 118.349 18.529 -14.246 360 HH21 ARG 50 1HH2 ARG 50 121.575 19.103 -15.339 361 HH22 ARG 50 2HH2 ARG 50 119.919 18.887 -15.795 362 H THR 51 H THR 51 120.951 14.586 -11.329 363 HA THR 51 HA THR 51 122.257 12.443 -10.225 364 HB THR 51 HB THR 51 122.076 12.694 -12.614 365 HG1 THR 51 HG1 THR 51 124.337 12.293 -13.121 366 HG21 THR 51 3HG2 THR 51 122.777 15.314 -12.299 367 HG22 THR 51 1HG2 THR 51 122.850 14.456 -13.837 368 HG23 THR 51 2HG2 THR 51 124.302 14.632 -12.857 369 H ALA 52 H ALA 52 123.321 12.673 -8.347 370 HA ALA 52 HA ALA 52 125.781 14.297 -8.359 371 HB1 ALA 52 1HB ALA 52 123.483 14.409 -6.461 372 HB2 ALA 52 2HB ALA 52 124.529 15.705 -7.041 373 HB3 ALA 52 3HB ALA 52 125.106 14.593 -5.801 374 H SER 53 H SER 53 127.399 13.570 -6.835 375 HA SER 53 HA SER 53 127.739 10.787 -6.686 376 HB2 SER 53 1HB SER 53 129.660 11.232 -5.360 377 HB3 SER 53 2HB SER 53 129.513 12.610 -6.446 378 HG SER 53 HG SER 53 129.270 12.453 -3.717 379 H SER 54 H SER 54 128.120 9.665 -4.468 380 HA SER 54 HA SER 54 125.601 9.307 -3.289 381 HB2 SER 54 1HB SER 54 128.297 8.600 -2.107 382 HB3 SER 54 2HB SER 54 126.742 7.900 -1.665 383 HG SER 54 HG SER 54 128.382 7.146 -3.587 384 H GLY 55 H GLY 55 128.331 11.330 -2.305 385 HA2 GLY 55 1HA GLY 55 126.868 12.165 0.103 386 HA3 GLY 55 2HA GLY 55 128.562 12.482 -0.231 387 H ASP 56 H ASP 56 127.466 13.298 -3.093 388 HA ASP 56 HA ASP 56 127.470 16.108 -2.456 389 HB2 ASP 56 1HB ASP 56 128.632 15.213 -4.438 390 HB3 ASP 56 2HB ASP 56 127.083 14.724 -5.116 391 H TYR 57 H TYR 57 125.823 17.471 -2.332 392 HA TYR 57 HA TYR 57 123.706 18.271 -2.177 393 HB2 TYR 57 1HB TYR 57 123.392 16.513 -4.601 394 HB3 TYR 57 2HB TYR 57 122.140 17.600 -4.032 395 HD1 TYR 57 HD1 TYR 57 122.738 20.104 -3.829 396 HD2 TYR 57 HD2 TYR 57 125.100 17.264 -6.024 397 HE1 TYR 57 HE1 TYR 57 123.790 21.958 -5.096 398 HE2 TYR 57 HE2 TYR 57 126.151 19.118 -7.291 399 HH TYR 57 HH TYR 57 126.577 21.596 -6.905 400 H ASN 58 H ASN 58 122.282 15.255 -3.360 401 HA ASN 58 HA ASN 58 120.908 13.744 -2.305 402 HB2 ASN 58 1HB ASN 58 122.673 14.322 0.087 403 HB3 ASN 58 2HB ASN 58 121.630 12.918 -0.124 404 HD21 ASN 58 1HD2 ASN 58 122.159 12.193 -2.780 405 HD22 ASN 58 2HD2 ASN 58 123.794 11.774 -2.942 406 H LYS 59 H LYS 59 119.815 16.180 -2.561 407 HA LYS 59 HA LYS 59 119.059 17.575 -0.252 408 HB2 LYS 59 1HB LYS 59 118.807 18.392 -2.593 409 HB3 LYS 59 2HB LYS 59 117.467 17.264 -2.807 410 HG2 LYS 59 1HG LYS 59 116.289 18.348 -0.900 411 HG3 LYS 59 2HG LYS 59 117.601 19.523 -0.787 412 HD2 LYS 59 1HD LYS 59 117.168 20.158 -3.171 413 HD3 LYS 59 2HD LYS 59 115.765 19.088 -3.160 414 HE2 LYS 59 1HE LYS 59 115.096 20.455 -1.016 415 HE3 LYS 59 2HE LYS 59 116.187 21.669 -1.682 416 HZ1 LYS 59 3HZ LYS 59 114.207 22.227 -2.660 417 HZ2 LYS 59 1HZ LYS 59 113.676 20.619 -2.787 418 HZ3 LYS 59 2HZ LYS 59 114.869 21.205 -3.847 419 H ASN 60 H ASN 60 117.445 17.370 1.205 420 HA ASN 60 HA ASN 60 115.733 16.446 2.415 421 HB2 ASN 60 1HB ASN 60 114.853 15.413 -0.290 422 HB3 ASN 60 2HB ASN 60 113.859 15.473 1.164 423 HD21 ASN 60 1HD2 ASN 60 114.522 18.018 2.182 424 HD22 ASN 60 2HD2 ASN 60 114.037 19.207 1.072 425 H GLN 61 H GLN 61 116.627 14.956 3.746 426 HA GLN 61 HA GLN 61 116.851 12.177 2.716 427 HB2 GLN 61 1HB GLN 61 119.040 13.201 3.351 428 HB3 GLN 61 2HB GLN 61 118.418 13.430 4.985 429 HG2 GLN 61 1HG GLN 61 117.975 10.961 5.096 430 HG3 GLN 61 2HG GLN 61 118.785 10.793 3.539 431 HE21 GLN 61 1HE2 GLN 61 120.892 10.078 3.854 432 HE22 GLN 61 2HE2 GLN 61 121.913 10.583 5.111 433 H TYR 62 H TYR 62 115.700 10.627 3.816 434 HA TYR 62 HA TYR 62 114.336 11.487 6.308 435 HB2 TYR 62 1HB TYR 62 113.172 9.814 4.086 436 HB3 TYR 62 2HB TYR 62 112.379 10.212 5.595 437 HD1 TYR 62 HD1 TYR 62 113.459 11.466 2.313 438 HD2 TYR 62 HD2 TYR 62 111.505 12.458 6.009 439 HE1 TYR 62 HE1 TYR 62 112.571 13.543 1.286 440 HE2 TYR 62 HE2 TYR 62 110.618 14.534 4.982 441 HH TYR 62 HH TYR 62 110.451 15.075 1.783 442 H TYR 63 H TYR 63 114.209 10.058 7.934 443 HA TYR 63 HA TYR 63 115.256 7.320 7.486 444 HB2 TYR 63 1HB TYR 63 115.576 9.084 9.922 445 HB3 TYR 63 2HB TYR 63 116.052 7.399 9.834 446 HD1 TYR 63 HD1 TYR 63 116.834 10.835 8.779 447 HD2 TYR 63 HD2 TYR 63 118.018 6.711 8.558 448 HE1 TYR 63 HE1 TYR 63 119.049 11.519 7.904 449 HE2 TYR 63 HE2 TYR 63 120.235 7.396 7.681 450 HH TYR 63 HH TYR 63 121.483 10.346 7.949 451 H GLY 64 H GLY 64 113.914 5.702 8.145 452 HA2 GLY 64 1HA GLY 64 111.623 6.429 9.885 453 HA3 GLY 64 2HA GLY 64 111.390 5.508 8.405 454 H ILE 65 H ILE 65 111.210 5.047 11.488 455 HA ILE 65 HA ILE 65 112.429 2.340 11.390 456 HB ILE 65 HB ILE 65 111.929 4.041 13.851 457 HG12 ILE 65 1HG1 ILE 65 114.558 3.259 12.553 458 HG13 ILE 65 2HG1 ILE 65 113.805 4.846 12.380 459 HG21 ILE 65 1HG2 ILE 65 111.761 1.562 14.156 460 HG22 ILE 65 2HG2 ILE 65 113.114 2.273 15.035 461 HG23 ILE 65 3HG2 ILE 65 113.401 1.409 13.525 462 HD11 ILE 65 3HD1 ILE 65 113.833 5.072 14.876 463 HD12 ILE 65 1HD1 ILE 65 115.445 4.961 14.169 464 HD13 ILE 65 2HD1 ILE 65 114.731 3.557 14.963 465 H THR 66 H THR 66 110.959 0.731 11.409 466 HA THR 66 HA THR 66 108.247 1.328 12.461 467 HB THR 66 HB THR 66 107.356 -0.164 10.718 468 HG1 THR 66 HG1 THR 66 108.647 -1.251 9.463 469 HG21 THR 66 3HG2 THR 66 108.149 1.323 8.708 470 HG22 THR 66 1HG2 THR 66 108.976 2.251 9.958 471 HG23 THR 66 2HG2 THR 66 107.225 2.056 10.017 472 H ALA 67 H ALA 67 107.190 -0.316 13.557 473 HA ALA 67 HA ALA 67 108.492 -2.924 13.799 474 HB1 ALA 67 1HB ALA 67 107.541 -1.629 16.327 475 HB2 ALA 67 2HB ALA 67 109.142 -1.217 15.712 476 HB3 ALA 67 3HB ALA 67 108.753 -2.892 16.104 477 H GLY 68 H GLY 68 106.985 -4.614 14.243 478 HA2 GLY 68 1HA GLY 68 104.283 -4.006 15.028 479 HA3 GLY 68 2HA GLY 68 104.412 -4.317 13.305 480 HA PRO 69 HA PRO 69 104.374 -8.453 15.397 481 HB2 PRO 69 1HB PRO 69 101.774 -8.982 15.946 482 HB3 PRO 69 2HB PRO 69 102.817 -8.090 17.070 483 HG2 PRO 69 1HG PRO 69 100.606 -7.128 15.423 484 HG3 PRO 69 2HG PRO 69 101.348 -6.405 16.859 485 HD2 PRO 69 1HD PRO 69 101.817 -5.742 14.080 486 HD3 PRO 69 2HD PRO 69 102.474 -4.951 15.528 487 H ALA 70 H ALA 70 104.598 -9.956 13.896 488 HA ALA 70 HA ALA 70 102.927 -10.180 11.546 489 HB1 ALA 70 1HB ALA 70 104.417 -11.817 10.829 490 HB2 ALA 70 2HB ALA 70 104.813 -12.322 12.471 491 HB3 ALA 70 3HB ALA 70 105.456 -10.807 11.835 492 H TYR 71 H TYR 71 101.366 -11.728 11.172 493 HA TYR 71 HA TYR 71 100.711 -13.633 13.305 494 HB2 TYR 71 1HB TYR 71 99.353 -11.584 13.689 495 HB3 TYR 71 2HB TYR 71 98.702 -11.740 12.068 496 HD1 TYR 71 HD1 TYR 71 98.795 -13.232 15.451 497 HD2 TYR 71 HD2 TYR 71 96.987 -13.355 11.556 498 HE1 TYR 71 HE1 TYR 71 97.016 -14.726 16.324 499 HE2 TYR 71 HE2 TYR 71 95.209 -14.849 12.428 500 HH TYR 71 HH TYR 71 95.431 -16.413 15.425 501 H ARG 72 H ARG 72 99.197 -15.331 12.502 502 HA ARG 72 HA ARG 72 99.554 -15.714 9.578 503 HB2 ARG 72 1HB ARG 72 99.166 -17.826 11.708 504 HB3 ARG 72 2HB ARG 72 99.509 -18.100 10.002 505 HG2 ARG 72 1HG ARG 72 101.364 -16.571 11.846 506 HG3 ARG 72 2HG ARG 72 101.516 -18.298 11.533 507 HD2 ARG 72 1HD ARG 72 101.591 -16.140 9.403 508 HD3 ARG 72 2HD ARG 72 103.001 -16.952 10.074 509 HE ARG 72 HE ARG 72 101.197 -18.003 8.105 510 HH11 ARG 72 1HH1 ARG 72 103.337 -18.950 10.721 511 HH12 ARG 72 2HH1 ARG 72 103.581 -20.540 10.078 512 HH21 ARG 72 1HH2 ARG 72 101.549 -20.064 7.327 513 HH22 ARG 72 2HH2 ARG 72 102.581 -21.162 8.181 514 H ILE 73 H ILE 73 97.720 -15.006 8.684 515 HA ILE 73 HA ILE 73 95.181 -16.251 9.470 516 HB ILE 73 HB ILE 73 95.800 -14.273 7.254 517 HG12 ILE 73 1HG1 ILE 73 94.398 -13.862 9.912 518 HG13 ILE 73 2HG1 ILE 73 96.077 -13.417 9.603 519 HG21 ILE 73 1HG2 ILE 73 93.375 -14.049 7.064 520 HG22 ILE 73 2HG2 ILE 73 93.140 -15.198 8.381 521 HG23 ILE 73 3HG2 ILE 73 93.817 -15.743 6.847 522 HD11 ILE 73 3HD1 ILE 73 93.588 -12.287 8.311 523 HD12 ILE 73 1HD1 ILE 73 95.196 -12.045 7.627 524 HD13 ILE 73 2HD1 ILE 73 94.819 -11.425 9.235 525 H ASN 74 H ASN 74 94.323 -17.980 8.292 526 HA ASN 74 HA ASN 74 96.270 -19.614 7.080 527 HB2 ASN 74 1HB ASN 74 93.256 -19.834 7.048 528 HB3 ASN 74 2HB ASN 74 94.358 -21.104 6.524 529 HD21 ASN 74 1HD2 ASN 74 92.513 -21.348 8.778 530 HD22 ASN 74 2HD2 ASN 74 93.459 -21.555 10.173 531 H ASP 75 H ASP 75 94.071 -17.283 5.648 532 HA ASP 75 HA ASP 75 94.019 -18.231 3.006 533 HB2 ASP 75 1HB ASP 75 92.654 -16.342 3.945 534 HB3 ASP 75 2HB ASP 75 94.094 -15.332 3.855 535 H TRP 76 H TRP 76 96.421 -16.222 4.679 536 HA TRP 76 HA TRP 76 98.176 -16.423 2.293 537 HB2 TRP 76 1HB TRP 76 98.182 -14.261 4.401 538 HB3 TRP 76 2HB TRP 76 99.152 -14.308 2.942 539 HD1 TRP 76 HD1 TRP 76 95.712 -13.464 4.250 540 HE1 TRP 76 HE1 TRP 76 94.349 -12.314 2.391 541 HE3 TRP 76 HE3 TRP 76 98.843 -14.196 0.284 542 HZ2 TRP 76 HZ2 TRP 76 94.560 -11.770 -0.414 543 HZ3 TRP 76 HZ3 TRP 76 98.241 -13.352 -1.964 544 HH2 TRP 76 HH2 TRP 76 96.107 -12.143 -2.319 545 H ALA 77 H ALA 77 100.521 -16.565 2.781 546 HA ALA 77 HA ALA 77 100.962 -18.306 5.059 547 HB1 ALA 77 1HB ALA 77 102.013 -18.737 2.861 548 HB2 ALA 77 2HB ALA 77 103.201 -18.592 4.157 549 HB3 ALA 77 3HB ALA 77 102.949 -17.253 3.037 550 H SER 78 H SER 78 101.521 -14.896 4.378 551 HA SER 78 HA SER 78 102.147 -14.632 7.223 552 HB2 SER 78 1HB SER 78 104.330 -14.674 5.900 553 HB3 SER 78 2HB SER 78 103.794 -13.159 5.173 554 HG SER 78 HG SER 78 104.340 -13.748 7.887 555 H ILE 79 H ILE 79 101.046 -12.893 8.115 556 HA ILE 79 HA ILE 79 100.632 -10.565 6.362 557 HB ILE 79 HB ILE 79 98.495 -11.786 6.368 558 HG12 ILE 79 1HG1 ILE 79 98.255 -9.371 8.173 559 HG13 ILE 79 2HG1 ILE 79 98.642 -9.238 6.457 560 HG21 ILE 79 1HG2 ILE 79 98.838 -12.923 8.566 561 HG22 ILE 79 2HG2 ILE 79 97.260 -12.149 8.426 562 HG23 ILE 79 3HG2 ILE 79 98.535 -11.382 9.371 563 HD11 ILE 79 3HD1 ILE 79 96.526 -10.790 6.168 564 HD12 ILE 79 1HD1 ILE 79 96.326 -9.053 6.399 565 HD13 ILE 79 2HD1 ILE 79 96.100 -10.154 7.757 566 H TYR 80 H TYR 80 101.300 -8.735 7.352 567 HA TYR 80 HA TYR 80 101.309 -8.650 10.296 568 HB2 TYR 80 1HB TYR 80 103.605 -7.973 10.407 569 HB3 TYR 80 2HB TYR 80 103.509 -9.497 9.547 570 HD1 TYR 80 HD1 TYR 80 104.236 -5.903 9.287 571 HD2 TYR 80 HD2 TYR 80 104.012 -9.625 7.154 572 HE1 TYR 80 HE1 TYR 80 105.490 -4.898 7.399 573 HE2 TYR 80 HE2 TYR 80 105.266 -8.620 5.267 574 HH TYR 80 HH TYR 80 105.659 -6.291 4.355 575 H GLY 81 H GLY 81 101.420 -6.587 11.204 576 HA2 GLY 81 1HA GLY 81 101.055 -4.319 9.316 577 HA3 GLY 81 2HA GLY 81 100.015 -4.517 10.727 578 H VAL 82 H VAL 82 102.127 -2.425 9.888 579 HA VAL 82 HA VAL 82 103.661 -2.481 12.416 580 HB VAL 82 HB VAL 82 105.665 -1.713 11.186 581 HG11 VAL 82 1HG1 VAL 82 104.404 -4.355 10.455 582 HG12 VAL 82 2HG1 VAL 82 105.665 -4.033 11.645 583 HG13 VAL 82 3HG1 VAL 82 106.030 -3.934 9.923 584 HG21 VAL 82 3HG2 VAL 82 105.700 -1.944 8.720 585 HG22 VAL 82 1HG2 VAL 82 104.526 -0.733 9.235 586 HG23 VAL 82 2HG2 VAL 82 103.980 -2.335 8.739 587 H VAL 83 H VAL 83 104.361 -0.465 13.168 588 HA VAL 83 HA VAL 83 103.337 1.921 11.758 589 HB VAL 83 HB VAL 83 102.795 2.918 13.966 590 HG11 VAL 83 1HG1 VAL 83 100.693 1.914 14.123 591 HG12 VAL 83 2HG1 VAL 83 101.334 0.295 13.840 592 HG13 VAL 83 3HG1 VAL 83 101.195 1.433 12.502 593 HG21 VAL 83 3HG2 VAL 83 102.668 1.410 15.939 594 HG22 VAL 83 1HG2 VAL 83 104.323 1.586 15.355 595 HG23 VAL 83 2HG2 VAL 83 103.407 0.124 14.984 596 H GLY 84 H GLY 84 104.769 3.685 11.803 597 HA2 GLY 84 1HA GLY 84 107.232 3.391 13.364 598 HA3 GLY 84 2HA GLY 84 107.388 3.415 11.610 599 H VAL 85 H VAL 85 108.716 5.307 12.828 600 HA VAL 85 HA VAL 85 107.094 7.754 12.379 601 HB VAL 85 HB VAL 85 107.701 7.514 14.758 602 HG11 VAL 85 1HG1 VAL 85 109.804 6.177 14.290 603 HG12 VAL 85 2HG1 VAL 85 109.985 7.454 15.492 604 HG13 VAL 85 3HG1 VAL 85 110.582 7.697 13.850 605 HG21 VAL 85 3HG2 VAL 85 108.665 9.717 15.028 606 HG22 VAL 85 1HG2 VAL 85 107.611 9.755 13.616 607 HG23 VAL 85 2HG2 VAL 85 109.360 9.662 13.408 608 H GLY 86 H GLY 86 107.834 9.082 10.850 609 HA2 GLY 86 1HA GLY 86 110.562 8.577 9.766 610 HA3 GLY 86 2HA GLY 86 109.191 9.113 8.799 611 H TYR 87 H TYR 87 111.981 10.217 9.724 612 HA TYR 87 HA TYR 87 111.007 12.954 10.320 613 HB2 TYR 87 1HB TYR 87 113.622 11.690 11.151 614 HB3 TYR 87 2HB TYR 87 113.136 13.343 11.468 615 HD1 TYR 87 HD1 TYR 87 111.167 13.770 13.003 616 HD2 TYR 87 HD2 TYR 87 112.971 9.897 12.552 617 HE1 TYR 87 HE1 TYR 87 110.128 13.037 15.133 618 HE2 TYR 87 HE2 TYR 87 111.931 9.166 14.682 619 HH TYR 87 HH TYR 87 111.026 10.778 16.933 620 H GLY 88 H GLY 88 111.705 14.543 8.980 621 HA2 GLY 88 1HA GLY 88 113.583 13.780 6.818 622 HA3 GLY 88 2HA GLY 88 112.320 14.998 6.672 623 H LYS 89 H LYS 89 115.308 15.122 6.304 624 HA LYS 89 HA LYS 89 115.765 17.463 8.055 625 HB2 LYS 89 1HB LYS 89 117.048 15.483 8.871 626 HB3 LYS 89 2HB LYS 89 117.860 15.409 7.307 627 HG2 LYS 89 1HG LYS 89 118.664 17.741 7.643 628 HG3 LYS 89 2HG LYS 89 117.920 17.741 9.245 629 HD2 LYS 89 1HD LYS 89 119.321 15.744 9.831 630 HD3 LYS 89 2HD LYS 89 120.142 15.917 8.280 631 HE2 LYS 89 1HE LYS 89 120.888 18.167 8.891 632 HE3 LYS 89 2HE LYS 89 120.010 18.064 10.416 633 HZ1 LYS 89 3HZ LYS 89 121.406 16.295 11.134 634 HZ2 LYS 89 1HZ LYS 89 122.415 17.545 10.590 635 HZ3 LYS 89 2HZ LYS 89 122.154 16.178 9.614 636 H PHE 90 H PHE 90 116.472 19.227 7.033 637 HA PHE 90 HA PHE 90 117.221 18.995 4.181 638 HB2 PHE 90 1HB PHE 90 115.194 20.318 4.653 639 HB3 PHE 90 2HB PHE 90 116.123 21.353 5.719 640 HD1 PHE 90 HD1 PHE 90 115.561 20.348 2.204 641 HD2 PHE 90 HD2 PHE 90 117.570 23.075 4.847 642 HE1 PHE 90 HE1 PHE 90 116.147 21.790 0.274 643 HE2 PHE 90 HE2 PHE 90 118.156 24.515 2.914 644 HZ PHE 90 HZ PHE 90 117.444 23.873 0.628 645 H GLN 91 H GLN 91 119.233 19.565 3.588 646 HA GLN 91 HA GLN 91 120.897 21.073 5.529 647 HB2 GLN 91 1HB GLN 91 121.711 18.849 3.644 648 HB3 GLN 91 2HB GLN 91 122.831 19.807 4.614 649 HG2 GLN 91 1HG GLN 91 121.752 19.048 6.673 650 HG3 GLN 91 2HG GLN 91 120.557 18.150 5.740 651 HE21 GLN 91 1HE2 GLN 91 122.260 16.845 7.635 652 HE22 GLN 91 2HE2 GLN 91 123.311 15.816 6.787 653 H THR 92 H THR 92 121.834 22.877 4.801 654 HA THR 92 HA THR 92 121.735 23.445 1.900 655 HB THR 92 HB THR 92 122.045 25.392 4.199 656 HG1 THR 92 HG1 THR 92 120.001 24.345 4.135 657 HG21 THR 92 3HG2 THR 92 121.354 25.847 1.284 658 HG22 THR 92 1HG2 THR 92 122.962 26.080 1.969 659 HG23 THR 92 2HG2 THR 92 121.617 27.084 2.513 660 H THR 93 H THR 93 123.594 23.744 0.794 661 HA THR 93 HA THR 93 126.086 24.205 2.296 662 HB THR 93 HB THR 93 127.244 22.468 1.008 663 HG1 THR 93 HG1 THR 93 124.714 21.583 0.151 664 HG21 THR 93 3HG2 THR 93 126.223 21.934 3.212 665 HG22 THR 93 1HG2 THR 93 126.263 20.536 2.137 666 HG23 THR 93 2HG2 THR 93 124.755 21.417 2.380 667 H GLU 94 H GLU 94 124.303 25.761 0.303 668 HA GLU 94 HA GLU 94 125.729 26.007 -2.131 669 HB2 GLU 94 1HB GLU 94 123.396 26.824 -1.739 670 HB3 GLU 94 2HB GLU 94 124.065 28.132 -0.763 671 HG2 GLU 94 1HG GLU 94 125.437 28.844 -2.714 672 HG3 GLU 94 2HG GLU 94 124.673 27.593 -3.682 673 H TYR 95 H TYR 95 125.732 28.094 0.764 674 HA TYR 95 HA TYR 95 128.478 28.413 0.950 675 HB2 TYR 95 1HB TYR 95 127.542 29.821 -1.282 676 HB3 TYR 95 2HB TYR 95 127.739 31.054 -0.062 677 HD1 TYR 95 HD2 TYR 95 129.947 31.581 0.856 678 HD2 TYR 95 HD1 TYR 95 129.438 28.593 -2.190 679 HE1 TYR 95 HE2 TYR 95 132.386 31.621 0.407 680 HE2 TYR 95 HE1 TYR 95 131.877 28.633 -2.636 681 HH TYR 95 HH TYR 95 133.806 30.774 -2.106 682 HA PRO 96 HA PRO 96 126.473 31.609 3.759 683 HB2 PRO 96 1HB PRO 96 123.997 32.581 3.373 684 HB3 PRO 96 2HB PRO 96 125.372 33.163 2.411 685 HG2 PRO 96 1HG PRO 96 123.206 31.279 1.664 686 HG3 PRO 96 2HG PRO 96 124.032 32.501 0.685 687 HD2 PRO 96 1HD PRO 96 124.606 29.759 0.676 688 HD3 PRO 96 2HD PRO 96 125.651 31.041 0.031 689 H THR 97 H THR 97 124.978 31.619 5.645 690 HA THR 97 HA THR 97 123.402 29.117 5.885 691 HB THR 97 HB THR 97 124.121 28.951 8.209 692 HG1 THR 97 HG1 THR 97 125.464 31.343 7.551 693 HG21 THR 97 3HG2 THR 97 125.541 28.096 6.194 694 HG22 THR 97 1HG2 THR 97 126.271 28.114 7.800 695 HG23 THR 97 2HG2 THR 97 126.651 29.392 6.645 696 H TYR 98 H TYR 98 121.602 29.203 7.303 697 HA TYR 98 HA TYR 98 120.765 31.524 8.688 698 HB2 TYR 98 1HB TYR 98 120.528 32.365 6.352 699 HB3 TYR 98 2HB TYR 98 119.386 31.072 6.039 700 HD1 TYR 98 HD1 TYR 98 119.976 34.199 7.926 701 HD2 TYR 98 HD2 TYR 98 117.112 31.191 6.828 702 HE1 TYR 98 HE1 TYR 98 118.145 35.632 8.784 703 HE2 TYR 98 HE2 TYR 98 115.279 32.626 7.687 704 HH TYR 98 HH TYR 98 115.970 35.763 9.227 705 H LYS 99 H LYS 99 119.039 29.224 6.578 706 HA LYS 99 HA LYS 99 117.061 28.522 8.436 707 HB2 LYS 99 1HB LYS 99 118.197 26.938 6.122 708 HB3 LYS 99 2HB LYS 99 116.720 26.523 6.993 709 HG2 LYS 99 1HG LYS 99 115.789 28.762 6.409 710 HG3 LYS 99 2HG LYS 99 117.235 29.080 5.449 711 HD2 LYS 99 1HD LYS 99 116.735 27.038 4.099 712 HD3 LYS 99 2HD LYS 99 115.229 26.853 4.999 713 HE2 LYS 99 1HE LYS 99 114.281 28.782 4.077 714 HE3 LYS 99 2HE LYS 99 115.851 29.468 3.654 715 HZ1 LYS 99 3HZ LYS 99 115.950 27.308 2.182 716 HZ2 LYS 99 1HZ LYS 99 115.198 28.724 1.627 717 HZ3 LYS 99 2HZ LYS 99 114.259 27.455 2.254 718 H HIS 100 H HIS 100 120.294 27.224 7.924 719 HA HIS 100 HA HIS 100 121.590 25.800 9.129 720 HB2 HIS 100 1HB HIS 100 120.971 27.276 10.994 721 HB3 HIS 100 2HB HIS 100 119.564 26.284 11.317 722 HD1 HIS 100 HD1 HIS 100 120.647 25.944 13.736 723 HD2 HIS 100 HD2 HIS 100 122.766 24.239 10.576 724 HE1 HIS 100 HE1 HIS 100 122.277 24.308 14.770 725 H ASP 101 H ASP 101 118.578 24.722 10.717 726 HA ASP 101 HA ASP 101 118.555 22.336 9.011 727 HB2 ASP 101 1HB ASP 101 120.013 21.842 10.977 728 HB3 ASP 101 2HB ASP 101 118.640 22.173 12.032 729 H THR 102 H THR 102 116.554 21.489 8.703 730 HA THR 102 HA THR 102 114.321 22.584 10.322 731 HB THR 102 HB THR 102 114.236 21.809 7.394 732 HG1 THR 102 HG1 THR 102 114.812 23.776 7.014 733 HG21 THR 102 3HG2 THR 102 112.221 23.317 9.073 734 HG22 THR 102 1HG2 THR 102 112.131 21.580 8.782 735 HG23 THR 102 2HG2 THR 102 112.007 22.707 7.432 736 H SER 103 H SER 103 112.952 21.112 11.188 737 HA SER 103 HA SER 103 113.299 18.274 10.394 738 HB2 SER 103 1HB SER 103 112.929 19.361 13.194 739 HB3 SER 103 2HB SER 103 113.022 17.661 12.753 740 HG SER 103 HG SER 103 115.105 17.889 12.820 741 H ASP 104 H ASP 104 111.505 17.051 10.238 742 HA ASP 104 HA ASP 104 108.971 17.958 11.368 743 HB2 ASP 104 1HB ASP 104 109.092 18.951 9.065 744 HB3 ASP 104 2HB ASP 104 109.221 17.317 8.419 745 H TYR 105 H TYR 105 107.598 16.231 11.824 746 HA TYR 105 HA TYR 105 108.643 13.538 11.155 747 HB2 TYR 105 1HB TYR 105 108.115 12.788 13.365 748 HB3 TYR 105 2HB TYR 105 109.143 14.200 13.485 749 HD1 TYR 105 HD1 TYR 105 105.777 12.838 14.055 750 HD2 TYR 105 HD2 TYR 105 108.282 16.315 14.364 751 HE1 TYR 105 HE1 TYR 105 104.107 13.911 15.542 752 HE2 TYR 105 HE2 TYR 105 106.611 17.386 15.851 753 HH TYR 105 HH TYR 105 104.605 17.215 16.784 754 H GLY 106 H GLY 106 107.162 11.905 10.811 755 HA2 GLY 106 1HA GLY 106 104.301 12.561 11.018 756 HA3 GLY 106 2HA GLY 106 104.931 12.012 9.466 757 H PHE 107 H PHE 107 102.942 10.581 10.848 758 HA PHE 107 HA PHE 107 104.403 8.240 11.926 759 HB2 PHE 107 1HB PHE 107 101.519 9.094 12.200 760 HB3 PHE 107 2HB PHE 107 102.147 7.557 12.769 761 HD1 PHE 107 HD1 PHE 107 102.142 11.210 13.278 762 HD2 PHE 107 HD2 PHE 107 103.546 7.427 14.752 763 HE1 PHE 107 HE1 PHE 107 102.803 12.285 15.414 764 HE2 PHE 107 HE2 PHE 107 104.207 8.503 16.886 765 HZ PHE 107 HZ PHE 107 103.836 10.934 17.217 766 H SER 108 H SER 108 104.568 6.489 10.667 767 HA SER 108 HA SER 108 102.822 6.346 8.270 768 HB2 SER 108 1HB SER 108 104.561 5.047 7.236 769 HB3 SER 108 2HB SER 108 105.290 6.497 7.915 770 HG SER 108 HG SER 108 105.292 3.852 8.941 771 H TYR 109 H TYR 109 101.779 4.478 7.721 772 HA TYR 109 HA TYR 109 101.887 2.214 9.627 773 HB2 TYR 109 1HB TYR 109 99.843 3.563 10.004 774 HB3 TYR 109 2HB TYR 109 99.415 3.369 8.314 775 HD1 TYR 109 HD1 TYR 109 98.707 1.157 7.448 776 HD2 TYR 109 HD2 TYR 109 99.508 1.810 11.615 777 HE1 TYR 109 HE1 TYR 109 97.513 -0.945 8.006 778 HE2 TYR 109 HE2 TYR 109 98.318 -0.294 12.175 779 HH TYR 109 HH TYR 109 96.304 -1.887 10.034 780 H GLY 110 H GLY 110 101.902 0.175 8.629 781 HA2 GLY 110 1HA GLY 110 101.423 0.075 5.734 782 HA3 GLY 110 2HA GLY 110 103.035 -0.336 6.302 783 H ALA 111 H ALA 111 101.406 -2.077 4.870 784 HA ALA 111 HA ALA 111 101.276 -4.281 6.815 785 HB1 ALA 111 1HB ALA 111 99.059 -3.395 4.983 786 HB2 ALA 111 2HB ALA 111 98.974 -3.832 6.689 787 HB3 ALA 111 3HB ALA 111 99.204 -5.083 5.467 788 H GLY 112 H GLY 112 101.718 -6.336 5.890 789 HA2 GLY 112 1HA GLY 112 102.468 -6.377 3.050 790 HA3 GLY 112 2HA GLY 112 103.741 -6.676 4.225 791 H LEU 113 H LEU 113 102.740 -8.423 2.162 792 HA LEU 113 HA LEU 113 101.912 -10.717 3.846 793 HB2 LEU 113 1HB LEU 113 101.249 -10.223 0.925 794 HB3 LEU 113 2HB LEU 113 100.912 -11.710 1.790 795 HG LEU 113 HG LEU 113 98.872 -10.495 1.706 796 HD11 LEU 113 1HD1 LEU 113 99.344 -11.484 3.914 797 HD12 LEU 113 2HD1 LEU 113 98.333 -10.045 4.038 798 HD13 LEU 113 3HD1 LEU 113 100.048 -9.954 4.439 799 HD21 LEU 113 3HD2 LEU 113 100.227 -8.266 1.310 800 HD22 LEU 113 1HD2 LEU 113 99.984 -8.066 3.045 801 HD23 LEU 113 2HD2 LEU 113 98.594 -8.221 1.971 802 H GLN 114 H GLN 114 103.055 -12.684 3.433 803 HA GLN 114 HA GLN 114 105.313 -12.462 1.539 804 HB2 GLN 114 1HB GLN 114 106.025 -11.801 3.889 805 HB3 GLN 114 2HB GLN 114 105.697 -13.468 4.359 806 HG2 GLN 114 1HG GLN 114 107.283 -14.284 2.684 807 HG3 GLN 114 2HG GLN 114 107.592 -12.635 2.153 808 HE21 GLN 114 1HE2 GLN 114 109.817 -13.978 2.962 809 HE22 GLN 114 2HE2 GLN 114 110.321 -13.470 4.500 810 H PHE 115 H PHE 115 105.764 -14.272 0.469 811 HA PHE 115 HA PHE 115 104.583 -16.824 1.425 812 HB2 PHE 115 1HB PHE 115 105.330 -15.976 -1.385 813 HB3 PHE 115 2HB PHE 115 104.766 -17.572 -0.932 814 HD1 PHE 115 HD1 PHE 115 102.410 -17.895 -0.169 815 HD2 PHE 115 HD2 PHE 115 103.832 -14.131 -1.675 816 HE1 PHE 115 HE1 PHE 115 100.070 -17.147 -0.509 817 HE2 PHE 115 HE2 PHE 115 101.492 -13.383 -2.014 818 HZ PHE 115 HZ PHE 115 99.612 -14.892 -1.434 819 H ASN 116 H ASN 116 106.104 -18.286 2.113 820 HA ASN 116 HA ASN 116 108.927 -17.577 1.525 821 HB2 ASN 116 1HB ASN 116 107.765 -18.877 3.984 822 HB3 ASN 116 2HB ASN 116 109.460 -18.471 3.726 823 HD21 ASN 116 1HD2 ASN 116 106.226 -16.861 3.688 824 HD22 ASN 116 2HD2 ASN 116 106.792 -15.400 4.338 825 HA PRO 117 HA PRO 117 109.708 -21.963 1.036 826 HB2 PRO 117 1HB PRO 117 111.415 -21.685 -1.142 827 HB3 PRO 117 2HB PRO 117 109.680 -22.032 -1.270 828 HG2 PRO 117 1HG PRO 117 111.039 -19.697 -2.113 829 HG3 PRO 117 2HG PRO 117 109.297 -20.009 -2.134 830 HD2 PRO 117 1HD PRO 117 110.907 -18.506 -0.119 831 HD3 PRO 117 2HD PRO 117 109.211 -18.277 -0.611 832 H MET 118 H MET 118 112.090 -22.919 0.962 833 HA MET 118 HA MET 118 113.587 -21.670 3.008 834 HB2 MET 118 1HB MET 118 114.388 -23.800 1.016 835 HB3 MET 118 2HB MET 118 115.334 -23.351 2.435 836 HG2 MET 118 1HG MET 118 113.325 -23.878 3.856 837 HG3 MET 118 2HG MET 118 112.532 -24.503 2.411 838 HE1 MET 118 3HE MET 118 113.452 -26.237 0.906 839 HE2 MET 118 1HE MET 118 114.693 -27.437 1.289 840 HE3 MET 118 2HE MET 118 115.155 -25.791 0.864 841 H GLU 119 H GLU 119 115.561 -20.589 2.963 842 HA GLU 119 HA GLU 119 117.335 -19.382 2.192 843 HB2 GLU 119 1HB GLU 119 116.732 -20.729 -0.458 844 HB3 GLU 119 2HB GLU 119 118.218 -19.875 -0.054 845 HG2 GLU 119 1HG GLU 119 118.588 -21.446 1.832 846 HG3 GLU 119 2HG GLU 119 117.157 -22.342 1.337 847 H ASN 120 H ASN 120 117.725 -18.050 -0.268 848 HA ASN 120 HA ASN 120 116.494 -15.625 0.297 849 HB2 ASN 120 1HB ASN 120 117.572 -14.818 -1.712 850 HB3 ASN 120 2HB ASN 120 118.661 -15.886 -0.833 851 HD21 ASN 120 1HD2 ASN 120 118.971 -15.391 -3.645 852 HD22 ASN 120 2HD2 ASN 120 118.651 -16.834 -4.475 853 H VAL 121 H VAL 121 115.032 -18.214 -1.278 854 HA VAL 121 HA VAL 121 113.833 -16.777 -3.441 855 HB VAL 121 HB VAL 121 113.093 -19.548 -2.479 856 HG11 VAL 121 1HG1 VAL 121 111.548 -18.970 -4.137 857 HG12 VAL 121 2HG1 VAL 121 112.814 -19.719 -5.101 858 HG13 VAL 121 3HG1 VAL 121 112.703 -17.962 -5.004 859 HG21 VAL 121 3HG2 VAL 121 114.780 -20.402 -4.054 860 HG22 VAL 121 1HG2 VAL 121 115.548 -19.401 -2.821 861 HG23 VAL 121 2HG2 VAL 121 115.275 -18.752 -4.439 862 H ALA 122 H ALA 122 113.097 -16.040 -0.470 863 HA ALA 122 HA ALA 122 110.176 -16.410 -0.698 864 HB1 ALA 122 1HB ALA 122 110.104 -15.843 1.672 865 HB2 ALA 122 2HB ALA 122 111.827 -15.472 1.663 866 HB3 ALA 122 3HB ALA 122 111.281 -17.132 1.423 867 H LEU 123 H LEU 123 108.795 -14.633 -0.729 868 HA LEU 123 HA LEU 123 110.120 -12.022 -1.201 869 HB2 LEU 123 1HB LEU 123 107.923 -13.232 -2.894 870 HB3 LEU 123 2HB LEU 123 108.637 -11.635 -3.104 871 HG LEU 123 HG LEU 123 110.904 -13.033 -3.185 872 HD11 LEU 123 1HD1 LEU 123 110.197 -15.236 -2.841 873 HD12 LEU 123 2HD1 LEU 123 110.270 -15.150 -4.599 874 HD13 LEU 123 3HD1 LEU 123 108.718 -15.013 -3.773 875 HD21 LEU 123 3HD2 LEU 123 110.857 -12.809 -5.530 876 HD22 LEU 123 1HD2 LEU 123 109.674 -11.615 -4.993 877 HD23 LEU 123 2HD2 LEU 123 109.133 -13.171 -5.620 878 H ASP 124 H ASP 124 108.999 -10.214 -0.613 879 HA ASP 124 HA ASP 124 106.318 -10.561 0.572 880 HB2 ASP 124 1HB ASP 124 107.990 -10.589 2.393 881 HB3 ASP 124 2HB ASP 124 108.614 -9.039 1.830 882 H PHE 125 H PHE 125 104.945 -8.813 0.329 883 HA PHE 125 HA PHE 125 106.027 -6.422 -1.054 884 HB2 PHE 125 1HB PHE 125 103.400 -7.815 -1.597 885 HB3 PHE 125 2HB PHE 125 103.902 -6.290 -2.304 886 HD1 PHE 125 HD1 PHE 125 105.782 -6.228 -3.937 887 HD2 PHE 125 HD2 PHE 125 104.222 -9.921 -2.395 888 HE1 PHE 125 HE1 PHE 125 106.894 -7.466 -5.776 889 HE2 PHE 125 HE2 PHE 125 105.336 -11.160 -4.232 890 HZ PHE 125 HZ PHE 125 106.672 -9.931 -5.923 891 H SER 126 H SER 126 105.281 -4.457 -0.261 892 HA SER 126 HA SER 126 103.158 -4.550 1.786 893 HB2 SER 126 1HB SER 126 105.393 -4.795 2.911 894 HB3 SER 126 2HB SER 126 105.818 -3.208 2.280 895 HG SER 126 HG SER 126 103.819 -3.937 4.135 896 H TYR 127 H TYR 127 102.128 -2.599 2.194 897 HA TYR 127 HA TYR 127 102.757 -0.370 0.344 898 HB2 TYR 127 1HB TYR 127 100.665 -1.621 -0.214 899 HB3 TYR 127 2HB TYR 127 100.047 -1.228 1.378 900 HD1 TYR 127 HD1 TYR 127 101.205 0.265 -1.835 901 HD2 TYR 127 HD2 TYR 127 98.943 0.824 1.774 902 HE1 TYR 127 HE1 TYR 127 100.273 2.376 -2.745 903 HE2 TYR 127 HE2 TYR 127 98.015 2.937 0.865 904 HH TYR 127 HH TYR 127 98.384 3.833 -2.438 905 H GLU 128 H GLU 128 102.772 1.689 1.268 906 HA GLU 128 HA GLU 128 102.344 1.812 4.199 907 HB2 GLU 128 1HB GLU 128 104.762 1.504 3.581 908 HB3 GLU 128 2HB GLU 128 104.679 3.042 2.726 909 HG2 GLU 128 1HG GLU 128 103.967 4.146 4.837 910 HG3 GLU 128 2HG GLU 128 104.147 2.612 5.677 911 H GLN 129 H GLN 129 101.527 3.707 4.980 912 HA GLN 129 HA GLN 129 100.962 5.853 3.025 913 HB2 GLN 129 1HB GLN 129 99.112 4.524 4.997 914 HB3 GLN 129 2HB GLN 129 98.793 6.144 4.376 915 HG2 GLN 129 1HG GLN 129 99.272 3.722 2.620 916 HG3 GLN 129 2HG GLN 129 97.674 4.329 3.051 917 HE21 GLN 129 1HE2 GLN 129 99.915 4.482 0.596 918 HE22 GLN 129 2HE2 GLN 129 99.515 6.000 -0.048 919 H SER 130 H SER 130 101.395 7.828 3.636 920 HA SER 130 HA SER 130 101.920 8.409 6.486 921 HB2 SER 130 1HB SER 130 102.850 10.071 4.139 922 HB3 SER 130 2HB SER 130 103.374 10.171 5.815 923 HG SER 130 HG SER 130 103.699 7.890 4.149 924 H ARG 131 H ARG 131 101.033 10.423 7.290 925 HA ARG 131 HA ARG 131 98.271 10.411 6.347 926 HB2 ARG 131 1HB ARG 131 99.513 11.416 8.920 927 HB3 ARG 131 2HB ARG 131 97.786 11.422 8.567 928 HG2 ARG 131 1HG ARG 131 97.908 8.942 8.214 929 HG3 ARG 131 2HG ARG 131 99.587 8.991 8.748 930 HD2 ARG 131 1HD ARG 131 97.167 9.824 10.372 931 HD3 ARG 131 2HD ARG 131 98.147 8.383 10.626 932 HE ARG 131 HE ARG 131 99.995 10.304 10.855 933 HH11 ARG 131 1HH1 ARG 131 96.787 10.114 12.269 934 HH12 ARG 131 2HH1 ARG 131 97.228 11.075 13.641 935 HH21 ARG 131 1HH2 ARG 131 100.500 11.539 12.641 936 HH22 ARG 131 2HH2 ARG 131 99.304 11.869 13.849 937 H ILE 132 H ILE 132 97.020 12.532 6.331 938 HA ILE 132 HA ILE 132 98.645 13.602 4.182 939 HB ILE 132 HB ILE 132 96.422 14.433 3.312 940 HG12 ILE 132 1HG1 ILE 132 95.213 12.519 5.309 941 HG13 ILE 132 2HG1 ILE 132 95.318 14.240 5.664 942 HG21 ILE 132 1HG2 ILE 132 97.179 11.568 3.762 943 HG22 ILE 132 2HG2 ILE 132 97.224 12.522 2.280 944 HG23 ILE 132 3HG2 ILE 132 95.681 11.946 2.908 945 HD11 ILE 132 3HD1 ILE 132 93.934 12.978 3.282 946 HD12 ILE 132 1HD1 ILE 132 94.123 14.715 3.522 947 HD13 ILE 132 2HD1 ILE 132 93.152 13.767 4.650 948 H ARG 133 H ARG 133 99.853 15.119 5.238 949 HA ARG 133 HA ARG 133 98.607 17.734 5.544 950 HB2 ARG 133 1HB ARG 133 100.887 18.568 5.783 951 HB3 ARG 133 2HB ARG 133 100.656 17.178 6.840 952 HG2 ARG 133 1HG ARG 133 101.683 15.743 5.025 953 HG3 ARG 133 2HG ARG 133 102.086 17.234 4.173 954 HD2 ARG 133 1HD ARG 133 103.324 18.009 6.196 955 HD3 ARG 133 2HD ARG 133 103.007 16.449 6.950 956 HE ARG 133 HE ARG 133 104.891 17.002 4.801 957 HH11 ARG 133 1HH1 ARG 133 103.146 14.516 6.562 958 HH12 ARG 133 2HH1 ARG 133 104.247 13.265 6.086 959 HH21 ARG 133 1HH2 ARG 133 106.273 15.351 4.220 960 HH22 ARG 133 2HH2 ARG 133 105.994 13.734 4.775 961 H SER 134 H SER 134 100.118 19.382 3.943 962 HA SER 134 HA SER 134 98.652 19.241 1.591 963 HB2 SER 134 1HB SER 134 99.791 21.276 2.419 964 HB3 SER 134 2HB SER 134 101.338 20.583 1.952 965 HG SER 134 HG SER 134 99.131 21.264 0.301 966 H VAL 135 H VAL 135 101.586 17.483 2.323 967 HA VAL 135 HA VAL 135 101.444 16.356 -0.416 968 HB VAL 135 HB VAL 135 103.774 15.600 -0.071 969 HG11 VAL 135 1HG1 VAL 135 103.477 18.570 0.450 970 HG12 VAL 135 2HG1 VAL 135 103.203 17.820 -1.123 971 HG13 VAL 135 3HG1 VAL 135 104.804 17.761 -0.385 972 HG21 VAL 135 3HG2 VAL 135 103.496 17.169 2.511 973 HG22 VAL 135 1HG2 VAL 135 105.033 16.610 1.852 974 HG23 VAL 135 2HG2 VAL 135 103.814 15.441 2.358 975 H ASP 136 H ASP 136 100.913 14.254 -0.596 976 HA ASP 136 HA ASP 136 100.620 12.667 1.887 977 HB2 ASP 136 1HB ASP 136 98.493 13.175 0.739 978 HB3 ASP 136 2HB ASP 136 99.114 12.427 -0.730 979 H VAL 137 H VAL 137 101.461 10.549 1.948 980 HA VAL 137 HA VAL 137 103.325 9.974 -0.307 981 HB VAL 137 HB VAL 137 103.570 8.956 2.523 982 HG11 VAL 137 1HG1 VAL 137 104.701 7.571 0.900 983 HG12 VAL 137 2HG1 VAL 137 105.915 8.525 1.749 984 HG13 VAL 137 3HG1 VAL 137 105.413 8.987 0.123 985 HG21 VAL 137 3HG2 VAL 137 103.793 11.460 2.382 986 HG22 VAL 137 1HG2 VAL 137 105.085 11.232 1.204 987 HG23 VAL 137 2HG2 VAL 137 105.288 10.653 2.859 988 H GLY 138 H GLY 138 102.958 8.242 -1.511 989 HA2 GLY 138 1HA GLY 138 101.646 5.898 -0.255 990 HA3 GLY 138 2HA GLY 138 101.343 6.357 -1.931 991 H THR 139 H THR 139 103.074 4.208 -0.108 992 HA THR 139 HA THR 139 105.290 4.120 -2.081 993 HB THR 139 HB THR 139 105.521 3.453 0.857 994 HG1 THR 139 HG1 THR 139 105.564 5.559 0.962 995 HG21 THR 139 3HG2 THR 139 107.180 2.222 -0.217 996 HG22 THR 139 1HG2 THR 139 108.019 3.742 0.095 997 HG23 THR 139 2HG2 THR 139 107.365 3.409 -1.510 998 H TRP 140 H TRP 140 105.639 2.222 -3.028 999 HA TRP 140 HA TRP 140 104.430 -0.211 -1.820 1000 HB2 TRP 140 1HB TRP 140 103.278 0.514 -3.905 1001 HB3 TRP 140 2HB TRP 140 104.802 0.385 -4.761 1002 HD1 TRP 140 HD1 TRP 140 102.252 -1.798 -2.881 1003 HE1 TRP 140 HE1 TRP 140 102.392 -4.195 -3.818 1004 HE3 TRP 140 HE3 TRP 140 106.208 -1.269 -6.066 1005 HZ2 TRP 140 HZ2 TRP 140 103.974 -5.692 -5.677 1006 HZ3 TRP 140 HZ3 TRP 140 107.009 -3.190 -7.406 1007 HH2 TRP 140 HH2 TRP 140 105.900 -5.399 -7.218 1008 H ILE 141 H ILE 141 105.859 -1.870 -1.457 1009 HA ILE 141 HA ILE 141 108.577 -1.580 -2.604 1010 HB ILE 141 HB ILE 141 108.521 -0.668 -0.316 1011 HG12 ILE 141 1HG1 ILE 141 109.940 -3.336 -0.279 1012 HG13 ILE 141 2HG1 ILE 141 110.500 -1.989 -1.269 1013 HG21 ILE 141 1HG2 ILE 141 106.629 -2.128 0.468 1014 HG22 ILE 141 2HG2 ILE 141 107.992 -2.047 1.586 1015 HG23 ILE 141 3HG2 ILE 141 107.777 -3.466 0.559 1016 HD11 ILE 141 3HD1 ILE 141 111.717 -1.688 0.709 1017 HD12 ILE 141 1HD1 ILE 141 110.367 -2.192 1.727 1018 HD13 ILE 141 2HD1 ILE 141 110.337 -0.615 0.941 1019 H ALA 142 H ALA 142 109.666 -3.428 -3.073 1020 HA ALA 142 HA ALA 142 108.365 -6.010 -2.418 1021 HB1 ALA 142 1HB ALA 142 108.011 -5.806 -4.747 1022 HB2 ALA 142 2HB ALA 142 109.468 -6.792 -4.616 1023 HB3 ALA 142 3HB ALA 142 109.595 -5.078 -5.010 1024 H GLY 143 H GLY 143 109.709 -7.493 -1.484 1025 HA2 GLY 143 1HA GLY 143 112.610 -6.909 -1.463 1026 HA3 GLY 143 2HA GLY 143 111.740 -7.136 0.049 1027 H VAL 144 H VAL 144 113.951 -8.658 -0.965 1028 HA VAL 144 HA VAL 144 112.709 -11.337 -1.171 1029 HB VAL 144 HB VAL 144 115.328 -10.417 -2.402 1030 HG11 VAL 144 1HG1 VAL 144 115.192 -12.817 -1.633 1031 HG12 VAL 144 2HG1 VAL 144 115.439 -12.625 -3.367 1032 HG13 VAL 144 3HG1 VAL 144 113.840 -13.033 -2.745 1033 HG21 VAL 144 3HG2 VAL 144 113.296 -9.529 -3.551 1034 HG22 VAL 144 1HG2 VAL 144 112.709 -11.182 -3.730 1035 HG23 VAL 144 2HG2 VAL 144 114.186 -10.678 -4.551 1036 H GLY 145 H GLY 145 113.564 -12.896 0.227 1037 HA2 GLY 145 1HA GLY 145 115.897 -12.244 1.842 1038 HA3 GLY 145 2HA GLY 145 114.366 -12.247 2.706 1039 H TYR 146 H TYR 146 116.054 -13.892 3.708 1040 HA TYR 146 HA TYR 146 115.093 -16.549 2.893 1041 HB2 TYR 146 1HB TYR 146 117.258 -17.532 3.232 1042 HB3 TYR 146 2HB TYR 146 117.419 -16.227 2.076 1043 HD1 TYR 146 HD1 TYR 146 118.519 -14.096 2.743 1044 HD2 TYR 146 HD2 TYR 146 118.339 -17.486 5.374 1045 HE1 TYR 146 HE1 TYR 146 120.307 -13.102 4.144 1046 HE2 TYR 146 HE2 TYR 146 120.127 -16.492 6.776 1047 HH TYR 146 HH TYR 146 120.909 -13.673 7.030 1048 H ARG 147 H ARG 147 115.369 -18.160 4.673 1049 HA ARG 147 HA ARG 147 114.897 -16.861 7.296 1050 HB2 ARG 147 1HB ARG 147 113.664 -19.384 6.162 1051 HB3 ARG 147 2HB ARG 147 113.364 -18.732 7.774 1052 HG2 ARG 147 1HG ARG 147 112.491 -16.650 6.763 1053 HG3 ARG 147 2HG ARG 147 112.761 -17.325 5.156 1054 HD2 ARG 147 1HD ARG 147 110.444 -17.685 5.699 1055 HD3 ARG 147 2HD ARG 147 111.259 -19.243 5.797 1056 HE ARG 147 HE ARG 147 111.388 -18.230 8.350 1057 HH11 ARG 147 1HH1 ARG 147 108.758 -18.921 6.131 1058 HH12 ARG 147 2HH1 ARG 147 107.633 -19.246 7.407 1059 HH21 ARG 147 1HH2 ARG 147 109.896 -18.659 9.950 1060 HH22 ARG 147 2HH2 ARG 147 108.271 -19.099 9.543 1061 H PHE 148 H PHE 148 115.694 -17.897 9.139 1062 HA PHE 148 HA PHE 148 117.404 -18.876 10.316 1063 HB2 PHE 148 1HB PHE 148 117.330 -21.274 10.318 1064 HB3 PHE 148 2HB PHE 148 115.704 -20.636 10.194 1065 HD1 PHE 148 HD2 PHE 148 118.386 -22.469 8.484 1066 HD2 PHE 148 HD1 PHE 148 114.392 -20.928 8.141 1067 HE1 PHE 148 HE2 PHE 148 118.016 -23.872 6.473 1068 HE2 PHE 148 HE1 PHE 148 114.022 -22.330 6.130 1069 HZ PHE 148 HZ PHE 148 115.835 -23.801 5.296
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