NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560963 | 2rst | 6226 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 191.133 -0.975 11.802 2 H2 MET 1 HT2 MET 1 190.297 -2.166 10.891 3 H3 MET 1 HT3 MET 1 190.021 -0.499 10.587 4 HA MET 1 HA MET 1 192.537 -1.966 10.158 5 HB2 MET 1 HB2 MET 1 190.252 -1.109 8.417 6 HB3 MET 1 HB1 MET 1 191.871 -1.192 7.737 7 HG2 MET 1 HG2 MET 1 191.256 -3.580 9.227 8 HG3 MET 1 HG1 MET 1 190.033 -3.266 7.997 9 HE1 MET 1 HE1 MET 1 192.034 -3.242 4.703 10 HE2 MET 1 HE2 MET 1 191.948 -1.777 5.680 11 HE3 MET 1 HE3 MET 1 190.538 -2.827 5.539 12 H LYS 2 HN LYS 2 192.803 0.115 11.787 13 HA LYS 2 HA LYS 2 193.619 2.357 10.057 14 HB2 LYS 2 HB2 LYS 2 192.767 2.369 12.956 15 HB3 LYS 2 HB1 LYS 2 193.442 3.761 12.122 16 HG2 LYS 2 HG2 LYS 2 191.190 2.562 10.715 17 HG3 LYS 2 HG1 LYS 2 190.782 3.146 12.329 18 HD2 LYS 2 HD2 LYS 2 192.386 4.884 10.508 19 HD3 LYS 2 HD1 LYS 2 190.645 4.746 10.256 20 HE2 LYS 2 HE2 LYS 2 190.434 5.275 12.752 21 HE3 LYS 2 HE1 LYS 2 192.119 5.786 12.656 22 HZ1 LYS 2 HZ1 LYS 2 190.393 7.571 12.349 23 HZ2 LYS 2 HZ2 LYS 2 190.026 6.863 10.858 24 HZ3 LYS 2 HZ3 LYS 2 191.575 7.481 11.142 25 HA PRO 3 HA PRO 3 197.575 0.597 11.581 26 HB2 PRO 3 HB2 PRO 3 199.051 1.543 9.499 27 HB3 PRO 3 HB1 PRO 3 198.149 0.025 9.434 28 HG2 PRO 3 HG2 PRO 3 197.400 2.720 8.369 29 HG3 PRO 3 HG1 PRO 3 197.216 1.126 7.612 30 HD2 PRO 3 HD2 PRO 3 195.158 2.404 8.809 31 HD3 PRO 3 HD1 PRO 3 195.309 0.635 8.817 32 H LYS 4 HN LYS 4 199.870 1.897 11.357 33 HA LYS 4 HA LYS 4 199.331 4.561 12.495 34 HB2 LYS 4 HB2 LYS 4 201.553 4.220 13.674 35 HB3 LYS 4 HB1 LYS 4 200.219 3.218 14.227 36 HG2 LYS 4 HG2 LYS 4 201.076 1.355 12.879 37 HG3 LYS 4 HG1 LYS 4 202.434 2.363 12.374 38 HD2 LYS 4 HD2 LYS 4 202.010 2.203 15.280 39 HD3 LYS 4 HD1 LYS 4 202.474 0.686 14.508 40 HE2 LYS 4 HE2 LYS 4 204.455 1.854 15.236 41 HE3 LYS 4 HE1 LYS 4 204.397 1.838 13.474 42 HZ1 LYS 4 HZ1 LYS 4 203.528 4.102 13.530 43 HZ2 LYS 4 HZ2 LYS 4 205.034 4.007 14.295 44 HZ3 LYS 4 HZ3 LYS 4 203.622 4.113 15.220 45 H PHE 5 HN PHE 5 200.515 6.296 11.810 46 HA PHE 5 HA PHE 5 202.160 5.855 9.415 47 HB2 PHE 5 HB2 PHE 5 201.776 8.530 9.415 48 HB3 PHE 5 HB1 PHE 5 200.680 7.395 8.639 49 HD1 PHE 5 HD2 PHE 5 198.680 6.572 10.006 50 HD2 PHE 5 HD1 PHE 5 201.010 9.971 11.065 51 HE1 PHE 5 HE2 PHE 5 196.834 7.395 11.405 52 HE2 PHE 5 HE1 PHE 5 199.168 10.801 12.467 53 HZ PHE 5 HZ PHE 5 197.075 9.514 12.639 54 H PHE 6 HN PHE 6 203.855 7.784 9.156 55 HA PHE 6 HA PHE 6 205.022 8.569 11.698 56 HB2 PHE 6 HB2 PHE 6 207.158 7.342 10.187 57 HB3 PHE 6 HB1 PHE 6 206.722 7.139 11.872 58 HD1 PHE 6 HD2 PHE 6 204.933 5.430 12.445 59 HD2 PHE 6 HD1 PHE 6 206.781 5.680 8.621 60 HE1 PHE 6 HE2 PHE 6 204.235 3.122 11.958 61 HE2 PHE 6 HE1 PHE 6 206.091 3.373 8.128 62 HZ PHE 6 HZ PHE 6 204.815 2.089 9.800 63 H TYR 7 HN TYR 7 207.169 9.703 11.331 64 HA TYR 7 HA TYR 7 206.913 11.326 8.900 65 HB2 TYR 7 HB2 TYR 7 207.532 11.964 11.713 66 HB3 TYR 7 HB1 TYR 7 208.555 12.777 10.535 67 HD1 TYR 7 HD2 TYR 7 207.020 13.667 8.417 68 HD2 TYR 7 HD1 TYR 7 205.770 13.219 12.459 69 HE1 TYR 7 HE2 TYR 7 205.267 15.354 8.056 70 HE2 TYR 7 HE1 TYR 7 204.015 14.905 12.110 71 HH TYR 7 HH TYR 7 203.962 17.009 9.608 72 H ILE 8 HN ILE 8 208.473 11.120 7.418 73 HA ILE 8 HA ILE 8 211.019 9.907 8.259 74 HB ILE 8 HB ILE 8 210.825 9.958 5.414 75 HG12 ILE 8 HG12 ILE 8 208.363 10.094 5.780 76 HG13 ILE 8 HG11 ILE 8 208.861 8.600 4.996 77 HG21 ILE 8 HG21 ILE 8 211.384 7.714 5.592 78 HG22 ILE 8 HG22 ILE 8 210.496 7.509 7.101 79 HG23 ILE 8 HG23 ILE 8 212.017 8.401 7.088 80 HD11 ILE 8 HD11 ILE 8 207.410 8.981 7.434 81 HD12 ILE 8 HD12 ILE 8 208.879 8.052 7.735 82 HD13 ILE 8 HD13 ILE 8 207.717 7.498 6.530 83 H LYS 9 HN LYS 9 212.383 11.516 8.714 84 HA LYS 9 HA LYS 9 212.767 13.586 6.659 85 HB2 LYS 9 HB2 LYS 9 212.857 15.290 8.223 86 HB3 LYS 9 HB1 LYS 9 211.574 14.266 8.842 87 HG2 LYS 9 HG2 LYS 9 212.749 14.648 10.734 88 HG3 LYS 9 HG1 LYS 9 213.529 13.168 10.172 89 HD2 LYS 9 HD2 LYS 9 215.475 14.199 9.791 90 HD3 LYS 9 HD1 LYS 9 214.694 15.617 9.089 91 HE2 LYS 9 HE2 LYS 9 214.696 15.072 12.047 92 HE3 LYS 9 HE1 LYS 9 215.998 15.958 11.257 93 HZ1 LYS 9 HZ1 LYS 9 213.865 17.251 10.321 94 HZ2 LYS 9 HZ2 LYS 9 214.695 17.710 11.722 95 HZ3 LYS 9 HZ3 LYS 9 213.282 16.787 11.841 96 H SER 10 HN SER 10 214.761 13.755 5.874 97 HA SER 10 HA SER 10 216.810 12.037 6.380 98 HB2 SER 10 HB2 SER 10 216.608 14.718 5.144 99 HB3 SER 10 HB1 SER 10 218.230 14.207 5.612 100 HG SER 10 HG SER 10 216.488 12.570 4.096 101 H GLU 11 HN GLU 11 218.514 11.881 7.721 102 HA GLU 11 HA GLU 11 218.411 13.373 10.187 103 HB2 GLU 11 HB2 GLU 11 218.849 10.994 10.294 104 HB3 GLU 11 HB1 GLU 11 220.241 11.165 9.236 105 HG2 GLU 11 HG2 GLU 11 221.588 11.693 10.920 106 HG3 GLU 11 HG1 GLU 11 220.434 12.844 11.593 107 H LEU 12 HN LEU 12 219.926 13.790 7.209 108 HA LEU 12 HA LEU 12 222.243 15.168 8.311 109 HB2 LEU 12 HB2 LEU 12 222.641 13.750 6.401 110 HB3 LEU 12 HB1 LEU 12 221.397 14.571 5.478 111 HG LEU 12 HG LEU 12 222.775 16.644 5.542 112 HD11 LEU 12 HD11 LEU 12 224.928 16.706 6.405 113 HD12 LEU 12 HD12 LEU 12 225.060 14.949 6.471 114 HD13 LEU 12 HD13 LEU 12 224.036 15.800 7.627 115 HD21 LEU 12 HD21 LEU 12 224.631 15.655 4.052 116 HD22 LEU 12 HD22 LEU 12 222.952 15.472 3.543 117 HD23 LEU 12 HD23 LEU 12 223.798 14.120 4.295 118 H ASN 13 HN ASN 13 219.614 15.936 6.005 119 HA ASN 13 HA ASN 13 220.118 18.759 6.251 120 HB2 ASN 13 HB2 ASN 13 217.756 17.489 4.885 121 HB3 ASN 13 HB1 ASN 13 218.530 19.024 4.523 122 HD21 ASN 13 HD21 ASN 13 217.963 16.902 2.702 123 HD22 ASN 13 HD22 ASN 13 219.473 16.360 2.060 124 H GLY 14 HN GLY 14 218.064 16.443 7.778 125 HA2 GLY 14 HA2 GLY 14 216.654 16.734 9.587 126 HA3 GLY 14 HA1 GLY 14 217.017 18.453 9.545 127 H LYS 15 HN LYS 15 216.100 17.527 6.490 128 HA LYS 15 HA LYS 15 213.510 18.771 6.772 129 HB2 LYS 15 HB2 LYS 15 214.718 17.596 4.270 130 HB3 LYS 15 HB1 LYS 15 213.485 18.837 4.389 131 HG2 LYS 15 HG2 LYS 15 216.394 19.104 5.095 132 HG3 LYS 15 HG1 LYS 15 215.551 19.850 3.736 133 HD2 LYS 15 HD2 LYS 15 214.721 20.370 6.574 134 HD3 LYS 15 HD1 LYS 15 216.017 21.291 5.811 135 HE2 LYS 15 HE2 LYS 15 213.693 21.119 4.098 136 HE3 LYS 15 HE1 LYS 15 213.282 21.802 5.670 137 HZ1 LYS 15 HZ1 LYS 15 215.700 22.834 4.441 138 HZ2 LYS 15 HZ2 LYS 15 214.475 23.650 5.275 139 HZ3 LYS 15 HZ3 LYS 15 214.257 23.231 3.651 140 H VAL 16 HN VAL 16 211.583 17.719 5.662 141 HA VAL 16 HA VAL 16 211.583 14.853 6.284 142 HB VAL 16 HB VAL 16 209.081 15.128 6.326 143 HG11 VAL 16 HG11 VAL 16 209.337 16.700 8.510 144 HG12 VAL 16 HG12 VAL 16 211.010 16.196 8.271 145 HG13 VAL 16 HG13 VAL 16 209.743 14.985 8.472 146 HG21 VAL 16 HG21 VAL 16 209.341 17.387 5.041 147 HG22 VAL 16 HG22 VAL 16 209.524 18.061 6.660 148 HG23 VAL 16 HG23 VAL 16 208.054 17.188 6.229 149 H LEU 17 HN LEU 17 211.026 13.389 4.753 150 HA LEU 17 HA LEU 17 211.124 14.180 2.019 151 HB2 LEU 17 HB2 LEU 17 210.099 11.532 3.031 152 HB3 LEU 17 HB1 LEU 17 210.867 11.875 1.493 153 HG LEU 17 HG LEU 17 212.220 11.885 4.192 154 HD11 LEU 17 HD11 LEU 17 212.976 9.804 3.767 155 HD12 LEU 17 HD12 LEU 17 213.076 10.078 2.028 156 HD13 LEU 17 HD13 LEU 17 211.521 9.711 2.774 157 HD21 LEU 17 HD21 LEU 17 213.045 12.851 1.522 158 HD22 LEU 17 HD22 LEU 17 214.234 11.921 2.434 159 HD23 LEU 17 HD23 LEU 17 213.539 13.386 3.128 160 H ASP 18 HN ASP 18 209.468 14.532 0.560 161 HA ASP 18 HA ASP 18 206.723 14.040 1.463 162 HB2 ASP 18 HB2 ASP 18 207.469 16.434 1.914 163 HB3 ASP 18 HB1 ASP 18 207.551 16.637 0.166 164 H ILE 19 HN ILE 19 205.181 13.860 -0.219 165 HA ILE 19 HA ILE 19 206.383 13.137 -2.800 166 HB ILE 19 HB ILE 19 203.526 12.555 -2.171 167 HG12 ILE 19 HG12 ILE 19 205.893 11.052 -1.039 168 HG13 ILE 19 HG11 ILE 19 204.589 11.818 -0.138 169 HG21 ILE 19 HG21 ILE 19 205.338 11.925 -4.218 170 HG22 ILE 19 HG22 ILE 19 203.686 11.341 -4.018 171 HG23 ILE 19 HG23 ILE 19 205.033 10.423 -3.348 172 HD11 ILE 19 HD11 ILE 19 203.381 9.977 -1.883 173 HD12 ILE 19 HD12 ILE 19 203.524 9.885 -0.128 174 HD13 ILE 19 HD13 ILE 19 204.762 9.160 -1.154 175 H GLU 20 HN GLU 20 206.218 14.549 -4.421 176 HA GLU 20 HA GLU 20 204.675 16.900 -4.280 177 HB2 GLU 20 HB2 GLU 20 206.183 15.517 -6.477 178 HB3 GLU 20 HB1 GLU 20 205.190 16.923 -6.835 179 HG2 GLU 20 HG2 GLU 20 206.713 17.662 -4.625 180 HG3 GLU 20 HG1 GLU 20 207.819 16.773 -5.670 181 H GLY 21 HN GLY 21 202.522 16.530 -3.964 182 HA2 GLY 21 HA2 GLY 21 200.744 16.368 -5.977 183 HA3 GLY 21 HA1 GLY 21 201.076 14.673 -5.651 184 H GLN 22 HN GLN 22 201.336 14.719 -2.873 185 HA GLN 22 HA GLN 22 200.006 14.393 -1.060 186 HB2 GLN 22 HB2 GLN 22 200.379 17.017 -1.366 187 HB3 GLN 22 HB1 GLN 22 198.630 16.987 -1.545 188 HG2 GLN 22 HG2 GLN 22 199.339 15.399 0.707 189 HG3 GLN 22 HG1 GLN 22 200.159 16.955 0.828 190 HE21 GLN 22 HE21 GLN 22 198.781 17.272 2.689 191 HE22 GLN 22 HE22 GLN 22 197.169 17.851 2.465 192 H ASN 23 HN ASN 23 198.944 12.981 -3.057 193 HA ASN 23 HA ASN 23 196.247 12.701 -2.340 194 HB2 ASN 23 HB2 ASN 23 196.794 14.522 -4.588 195 HB3 ASN 23 HB1 ASN 23 195.605 13.271 -4.937 196 HD21 ASN 23 HD21 ASN 23 195.711 16.318 -4.220 197 HD22 ASN 23 HD22 ASN 23 194.364 16.486 -3.151 198 HA PRO 24 HA PRO 24 196.528 8.771 -4.307 199 HB2 PRO 24 HB2 PRO 24 194.175 9.322 -6.027 200 HB3 PRO 24 HB1 PRO 24 194.425 8.037 -4.842 201 HG2 PRO 24 HG2 PRO 24 192.792 10.079 -4.320 202 HG3 PRO 24 HG1 PRO 24 193.823 9.385 -3.055 203 HD2 PRO 24 HD2 PRO 24 194.183 11.908 -4.623 204 HD3 PRO 24 HD1 PRO 24 194.492 11.597 -2.902 205 H ALA 25 HN ALA 25 196.380 11.572 -6.299 206 HA ALA 25 HA ALA 25 196.626 10.703 -8.873 207 HB1 ALA 25 HB1 ALA 25 198.220 12.915 -7.585 208 HB2 ALA 25 HB2 ALA 25 196.603 13.057 -8.273 209 HB3 ALA 25 HB3 ALA 25 197.977 12.700 -9.318 210 HA PRO 26 HA PRO 26 200.306 8.076 -8.243 211 HB2 PRO 26 HB2 PRO 26 199.510 6.965 -10.841 212 HB3 PRO 26 HB1 PRO 26 199.693 6.152 -9.285 213 HG2 PRO 26 HG2 PRO 26 197.279 6.558 -10.405 214 HG3 PRO 26 HG1 PRO 26 197.520 6.591 -8.648 215 HD2 PRO 26 HD2 PRO 26 197.266 8.878 -10.571 216 HD3 PRO 26 HD1 PRO 26 196.546 8.680 -8.959 217 H GLY 27 HN GLY 27 202.345 8.055 -9.229 218 HA2 GLY 27 HA2 GLY 27 203.852 8.499 -11.002 219 HA3 GLY 27 HA1 GLY 27 202.640 9.534 -11.741 220 H SER 28 HN SER 28 202.842 10.130 -8.435 221 HA SER 28 HA SER 28 204.034 12.698 -8.897 222 HB2 SER 28 HB2 SER 28 203.817 12.518 -6.182 223 HB3 SER 28 HB1 SER 28 202.513 13.032 -7.251 224 HG SER 28 HG SER 28 202.965 10.347 -6.454 225 H LYS 29 HN LYS 29 206.045 13.346 -8.492 226 HA LYS 29 HA LYS 29 208.061 11.390 -7.892 227 HB2 LYS 29 HB2 LYS 29 208.086 14.312 -8.582 228 HB3 LYS 29 HB1 LYS 29 209.543 13.526 -7.992 229 HG2 LYS 29 HG2 LYS 29 209.872 13.244 -10.212 230 HG3 LYS 29 HG1 LYS 29 208.921 11.791 -9.900 231 HD2 LYS 29 HD2 LYS 29 207.361 12.483 -11.325 232 HD3 LYS 29 HD1 LYS 29 207.135 13.960 -10.387 233 HE2 LYS 29 HE2 LYS 29 209.267 13.569 -12.483 234 HE3 LYS 29 HE1 LYS 29 207.719 14.364 -12.767 235 HZ1 LYS 29 HZ1 LYS 29 210.074 15.338 -11.382 236 HZ2 LYS 29 HZ2 LYS 29 208.597 15.716 -10.649 237 HZ3 LYS 29 HZ3 LYS 29 208.893 16.190 -12.245 238 H ILE 30 HN ILE 30 209.620 11.589 -6.164 239 HA ILE 30 HA ILE 30 208.451 12.898 -3.788 240 HB ILE 30 HB ILE 30 209.488 11.187 -2.408 241 HG12 ILE 30 HG12 ILE 30 210.314 9.854 -4.995 242 HG13 ILE 30 HG11 ILE 30 211.416 10.745 -3.949 243 HG21 ILE 30 HG21 ILE 30 207.825 9.670 -2.734 244 HG22 ILE 30 HG22 ILE 30 208.113 9.563 -4.470 245 HG23 ILE 30 HG23 ILE 30 207.236 10.941 -3.806 246 HD11 ILE 30 HD11 ILE 30 210.099 8.889 -2.311 247 HD12 ILE 30 HD12 ILE 30 211.783 8.876 -2.834 248 HD13 ILE 30 HD13 ILE 30 210.559 8.032 -3.780 249 H ILE 31 HN ILE 31 209.759 14.024 -2.378 250 HA ILE 31 HA ILE 31 212.611 14.199 -2.787 251 HB ILE 31 HB ILE 31 212.786 16.477 -3.352 252 HG12 ILE 31 HG12 ILE 31 210.850 17.223 -1.933 253 HG13 ILE 31 HG11 ILE 31 210.972 18.033 -3.488 254 HG21 ILE 31 HG21 ILE 31 212.321 14.988 -5.240 255 HG22 ILE 31 HG22 ILE 31 211.726 16.623 -5.526 256 HG23 ILE 31 HG23 ILE 31 210.600 15.340 -5.085 257 HD11 ILE 31 HD11 ILE 31 209.263 16.393 -4.337 258 HD12 ILE 31 HD12 ILE 31 208.695 17.568 -3.151 259 HD13 ILE 31 HD13 ILE 31 209.030 15.908 -2.658 260 H THR 32 HN THR 32 213.344 16.265 -1.359 261 HA THR 32 HA THR 32 212.093 15.761 1.256 262 HB THR 32 HB THR 32 214.117 16.151 2.274 263 HG1 THR 32 HG1 THR 32 215.758 17.442 1.333 264 HG21 THR 32 HG21 THR 32 215.365 15.495 -0.350 265 HG22 THR 32 HG22 THR 32 214.318 14.326 0.453 266 HG23 THR 32 HG23 THR 32 215.769 14.915 1.265 267 H TRP 33 HN TRP 33 211.513 17.495 2.645 268 HA TRP 33 HA TRP 33 211.748 20.217 1.725 269 HB2 TRP 33 HB2 TRP 33 209.760 19.136 0.487 270 HB3 TRP 33 HB1 TRP 33 208.946 19.161 2.048 271 HD1 TRP 33 HD1 TRP 33 207.292 21.105 2.030 272 HE1 TRP 33 HE1 TRP 33 207.348 23.571 1.295 273 HE3 TRP 33 HE3 TRP 33 211.988 21.246 0.013 274 HZ2 TRP 33 HZ2 TRP 33 209.144 25.340 0.028 275 HZ3 TRP 33 HZ3 TRP 33 212.798 23.364 -0.942 276 HH2 TRP 33 HH2 TRP 33 211.404 25.368 -0.934 277 H ASP 34 HN ASP 34 210.372 21.691 3.253 278 HA ASP 34 HA ASP 34 211.193 21.092 5.916 279 HB2 ASP 34 HB2 ASP 34 209.316 23.292 5.039 280 HB3 ASP 34 HB1 ASP 34 210.298 23.245 6.500 281 H GLN 35 HN GLN 35 210.030 20.417 7.652 282 HA GLN 35 HA GLN 35 207.690 18.906 7.219 283 HB2 GLN 35 HB2 GLN 35 209.427 18.604 9.054 284 HB3 GLN 35 HB1 GLN 35 208.632 19.929 9.893 285 HG2 GLN 35 HG2 GLN 35 206.494 18.546 9.664 286 HG3 GLN 35 HG1 GLN 35 207.565 17.204 9.261 287 HE21 GLN 35 HE21 GLN 35 208.708 16.215 10.846 288 HE22 GLN 35 HE22 GLN 35 208.574 16.608 12.523 289 H LYS 36 HN LYS 36 205.567 19.327 7.513 290 HA LYS 36 HA LYS 36 204.848 22.106 8.163 291 HB2 LYS 36 HB2 LYS 36 203.136 20.113 6.680 292 HB3 LYS 36 HB1 LYS 36 202.905 21.852 6.799 293 HG2 LYS 36 HG2 LYS 36 205.441 20.915 5.599 294 HG3 LYS 36 HG1 LYS 36 203.964 20.678 4.662 295 HD2 LYS 36 HD2 LYS 36 204.645 23.328 5.900 296 HD3 LYS 36 HD1 LYS 36 205.260 22.860 4.314 297 HE2 LYS 36 HE2 LYS 36 202.951 22.511 3.543 298 HE3 LYS 36 HE1 LYS 36 202.358 23.031 5.120 299 HZ1 LYS 36 HZ1 LYS 36 203.935 24.692 3.228 300 HZ2 LYS 36 HZ2 LYS 36 203.378 25.193 4.744 301 HZ3 LYS 36 HZ3 LYS 36 202.273 24.828 3.517 302 H LYS 37 HN LYS 37 202.671 22.359 9.197 303 HA LYS 37 HA LYS 37 202.087 20.135 11.037 304 HB2 LYS 37 HB2 LYS 37 202.053 23.061 11.789 305 HB3 LYS 37 HB1 LYS 37 201.775 21.693 12.858 306 HG2 LYS 37 HG2 LYS 37 204.155 20.971 12.222 307 HG3 LYS 37 HG1 LYS 37 204.338 22.620 11.621 308 HD2 LYS 37 HD2 LYS 37 203.183 22.361 14.321 309 HD3 LYS 37 HD1 LYS 37 204.871 21.871 14.160 310 HE2 LYS 37 HE2 LYS 37 205.006 24.159 12.821 311 HE3 LYS 37 HE1 LYS 37 203.623 24.547 13.843 312 HZ1 LYS 37 HZ1 LYS 37 205.667 25.241 14.889 313 HZ2 LYS 37 HZ2 LYS 37 206.301 23.676 14.787 314 HZ3 LYS 37 HZ3 LYS 37 204.972 23.986 15.786 315 H GLY 38 HN GLY 38 200.116 19.416 10.569 316 HA2 GLY 38 HA2 GLY 38 197.736 20.438 11.016 317 HA3 GLY 38 HA1 GLY 38 198.114 21.279 9.521 318 HA PRO 39 HA PRO 39 195.993 17.298 8.421 319 HB2 PRO 39 HB2 PRO 39 194.468 18.951 6.558 320 HB3 PRO 39 HB1 PRO 39 193.887 17.917 7.865 321 HG2 PRO 39 HG2 PRO 39 193.745 20.618 7.970 322 HG3 PRO 39 HG1 PRO 39 193.957 19.612 9.415 323 HD2 PRO 39 HD2 PRO 39 196.002 21.166 7.870 324 HD3 PRO 39 HD1 PRO 39 195.806 20.999 9.629 325 H THR 40 HN THR 40 198.028 19.485 6.923 326 HA THR 40 HA THR 40 198.053 17.943 4.419 327 HB THR 40 HB THR 40 197.615 20.253 3.952 328 HG1 THR 40 HG1 THR 40 200.380 19.842 3.501 329 HG21 THR 40 HG21 THR 40 198.223 21.728 5.514 330 HG22 THR 40 HG22 THR 40 199.740 21.789 4.616 331 HG23 THR 40 HG23 THR 40 199.599 20.759 6.041 332 H ALA 41 HN ALA 41 199.252 17.005 6.795 333 HA ALA 41 HA ALA 41 202.126 17.293 6.231 334 HB1 ALA 41 HB1 ALA 41 202.402 17.459 8.426 335 HB2 ALA 41 HB2 ALA 41 201.682 15.865 8.650 336 HB3 ALA 41 HB3 ALA 41 200.661 17.303 8.659 337 H VAL 42 HN VAL 42 199.469 15.158 6.085 338 HA VAL 42 HA VAL 42 200.501 12.613 6.397 339 HB VAL 42 HB VAL 42 198.530 13.606 4.319 340 HG11 VAL 42 HG11 VAL 42 199.687 11.058 4.549 341 HG12 VAL 42 HG12 VAL 42 198.314 11.541 3.556 342 HG13 VAL 42 HG13 VAL 42 198.048 10.922 5.186 343 HG21 VAL 42 HG21 VAL 42 197.594 12.173 6.710 344 HG22 VAL 42 HG22 VAL 42 196.919 13.579 5.887 345 HG23 VAL 42 HG23 VAL 42 198.272 13.775 7.001 346 H ASN 43 HN ASN 43 201.072 14.908 3.821 347 HA ASN 43 HA ASN 43 202.052 13.088 1.901 348 HB2 ASN 43 HB2 ASN 43 203.171 15.176 0.941 349 HB3 ASN 43 HB1 ASN 43 201.417 15.208 1.086 350 HD21 ASN 43 HD21 ASN 43 202.105 17.567 0.855 351 HD22 ASN 43 HD22 ASN 43 202.330 18.434 2.333 352 H GLN 44 HN GLN 44 203.355 13.973 4.854 353 HA GLN 44 HA GLN 44 206.062 13.222 3.969 354 HB2 GLN 44 HB2 GLN 44 205.103 15.228 5.974 355 HB3 GLN 44 HB1 GLN 44 206.645 14.431 6.231 356 HG2 GLN 44 HG2 GLN 44 207.660 15.725 4.747 357 HG3 GLN 44 HG1 GLN 44 206.427 15.405 3.528 358 HE21 GLN 44 HE21 GLN 44 207.694 17.869 3.831 359 HE22 GLN 44 HE22 GLN 44 206.524 19.033 4.342 360 H LEU 45 HN LEU 45 203.431 12.008 5.284 361 HA LEU 45 HA LEU 45 204.860 10.467 7.328 362 HB2 LEU 45 HB2 LEU 45 201.962 11.164 7.100 363 HB3 LEU 45 HB1 LEU 45 202.565 10.017 8.225 364 HG LEU 45 HG LEU 45 204.105 12.330 8.620 365 HD11 LEU 45 HD11 LEU 45 201.369 13.236 9.097 366 HD12 LEU 45 HD12 LEU 45 201.818 13.132 7.399 367 HD13 LEU 45 HD13 LEU 45 202.774 14.118 8.498 368 HD21 LEU 45 HD21 LEU 45 203.062 10.453 10.156 369 HD22 LEU 45 HD22 LEU 45 201.805 11.669 10.382 370 HD23 LEU 45 HD23 LEU 45 203.478 12.043 10.797 371 H TRP 46 HN TRP 46 204.837 8.290 7.263 372 HA TRP 46 HA TRP 46 203.247 6.996 5.166 373 HB2 TRP 46 HB2 TRP 46 206.152 6.493 5.806 374 HB3 TRP 46 HB1 TRP 46 205.183 5.568 4.669 375 HD1 TRP 46 HD1 TRP 46 205.961 9.360 5.116 376 HE1 TRP 46 HE1 TRP 46 206.483 10.327 2.787 377 HE3 TRP 46 HE3 TRP 46 205.355 5.123 2.319 378 HZ2 TRP 46 HZ2 TRP 46 206.615 9.415 0.118 379 HZ3 TRP 46 HZ3 TRP 46 205.690 5.256 -0.112 380 HH2 TRP 46 HH2 TRP 46 206.307 7.358 -1.191 381 H TYR 47 HN TYR 47 203.225 4.576 5.470 382 HA TYR 47 HA TYR 47 203.541 3.787 8.252 383 HB2 TYR 47 HB2 TYR 47 201.302 2.747 8.314 384 HB3 TYR 47 HB1 TYR 47 201.239 4.496 8.170 385 HD1 TYR 47 HD2 TYR 47 200.783 1.327 6.327 386 HD2 TYR 47 HD1 TYR 47 200.173 5.535 6.341 387 HE1 TYR 47 HE2 TYR 47 199.263 1.106 4.405 388 HE2 TYR 47 HE1 TYR 47 198.644 5.327 4.424 389 HH TYR 47 HH TYR 47 197.262 3.676 3.340 390 H THR 48 HN THR 48 203.308 1.362 8.505 391 HA THR 48 HA THR 48 204.472 0.082 6.133 392 HB THR 48 HB THR 48 205.036 -1.699 8.012 393 HG1 THR 48 HG1 THR 48 205.426 -0.608 9.988 394 HG21 THR 48 HG21 THR 48 207.099 -0.339 8.611 395 HG22 THR 48 HG22 THR 48 206.463 0.884 7.511 396 HG23 THR 48 HG23 THR 48 206.847 -0.729 6.910 397 H ASP 49 HN ASP 49 203.508 -1.581 5.138 398 HA ASP 49 HA ASP 49 200.827 -2.252 5.917 399 HB2 ASP 49 HB2 ASP 49 201.602 -2.028 3.536 400 HB3 ASP 49 HB1 ASP 49 202.498 -3.530 3.744 401 H GLN 50 HN GLN 50 200.111 -4.571 5.983 402 HA GLN 50 HA GLN 50 201.367 -5.908 8.114 403 HB2 GLN 50 HB2 GLN 50 199.175 -6.596 6.200 404 HB3 GLN 50 HB1 GLN 50 199.832 -7.857 7.235 405 HG2 GLN 50 HG2 GLN 50 199.397 -6.199 9.156 406 HG3 GLN 50 HG1 GLN 50 198.356 -5.372 7.998 407 HE21 GLN 50 HE21 GLN 50 198.677 -7.986 10.152 408 HE22 GLN 50 HE22 GLN 50 197.143 -8.725 9.858 409 H GLN 51 HN GLN 51 201.865 -6.054 4.695 410 HA GLN 51 HA GLN 51 203.308 -8.576 4.843 411 HB2 GLN 51 HB2 GLN 51 202.638 -6.720 2.564 412 HB3 GLN 51 HB1 GLN 51 203.674 -8.127 2.370 413 HG2 GLN 51 HG2 GLN 51 201.929 -9.617 2.816 414 HG3 GLN 51 HG1 GLN 51 200.915 -8.355 3.513 415 HE21 GLN 51 HE21 GLN 51 200.194 -10.189 1.449 416 HE22 GLN 51 HE22 GLN 51 199.826 -9.260 0.040 417 H GLY 52 HN GLY 52 204.023 -5.409 5.508 418 HA2 GLY 52 HA2 GLY 52 206.178 -4.734 6.228 419 HA3 GLY 52 HA1 GLY 52 206.883 -5.940 5.163 420 H VAL 53 HN VAL 53 204.410 -4.122 3.684 421 HA VAL 53 HA VAL 53 206.429 -2.585 2.215 422 HB VAL 53 HB VAL 53 203.563 -3.098 1.420 423 HG11 VAL 53 HG11 VAL 53 204.126 -1.397 0.051 424 HG12 VAL 53 HG12 VAL 53 204.903 -2.687 -0.868 425 HG13 VAL 53 HG13 VAL 53 205.857 -1.685 0.226 426 HG21 VAL 53 HG21 VAL 53 205.988 -4.769 1.139 427 HG22 VAL 53 HG22 VAL 53 204.946 -4.636 -0.277 428 HG23 VAL 53 HG23 VAL 53 204.292 -5.238 1.246 429 H ILE 54 HN ILE 54 206.559 -0.463 2.581 430 HA ILE 54 HA ILE 54 204.695 0.834 4.306 431 HB ILE 54 HB ILE 54 206.076 2.924 3.603 432 HG12 ILE 54 HG12 ILE 54 208.342 1.125 3.102 433 HG13 ILE 54 HG11 ILE 54 207.162 1.178 1.795 434 HG21 ILE 54 HG21 ILE 54 207.911 2.167 5.192 435 HG22 ILE 54 HG22 ILE 54 207.035 0.639 5.282 436 HG23 ILE 54 HG23 ILE 54 206.252 2.136 5.790 437 HD11 ILE 54 HD11 ILE 54 207.653 3.837 2.631 438 HD12 ILE 54 HD12 ILE 54 208.040 3.073 1.089 439 HD13 ILE 54 HD13 ILE 54 209.206 3.031 2.412 440 H ARG 55 HN ARG 55 203.408 2.592 3.882 441 HA ARG 55 HA ARG 55 202.952 3.451 1.151 442 HB2 ARG 55 HB2 ARG 55 200.596 2.469 2.746 443 HB3 ARG 55 HB1 ARG 55 200.658 2.880 1.043 444 HG2 ARG 55 HG2 ARG 55 202.150 0.553 2.219 445 HG3 ARG 55 HG1 ARG 55 200.510 0.432 1.583 446 HD2 ARG 55 HD2 ARG 55 202.483 1.732 -0.180 447 HD3 ARG 55 HD1 ARG 55 202.730 0.011 0.112 448 HE ARG 55 HE ARG 55 200.750 1.172 -1.540 449 HH11 ARG 55 HH11 ARG 55 201.233 -1.442 0.721 450 HH12 ARG 55 HH12 ARG 55 200.014 -2.447 0.011 451 HH21 ARG 55 HH21 ARG 55 199.146 -0.148 -2.474 452 HH22 ARG 55 HH22 ARG 55 198.829 -1.712 -1.802 453 H SER 56 HN SER 56 202.406 5.571 1.106 454 HA SER 56 HA SER 56 202.646 7.134 3.401 455 HB2 SER 56 HB2 SER 56 201.184 7.979 0.896 456 HB3 SER 56 HB1 SER 56 202.034 9.012 2.045 457 HG SER 56 HG SER 56 203.011 7.541 -0.050 458 H LYS 57 HN LYS 57 201.326 8.101 4.765 459 HA LYS 57 HA LYS 57 199.020 6.879 5.600 460 HB2 LYS 57 HB2 LYS 57 200.488 8.576 6.803 461 HB3 LYS 57 HB1 LYS 57 199.527 9.808 6.001 462 HG2 LYS 57 HG2 LYS 57 197.546 8.376 6.985 463 HG3 LYS 57 HG1 LYS 57 198.792 7.932 8.151 464 HD2 LYS 57 HD2 LYS 57 198.722 9.940 9.145 465 HD3 LYS 57 HD1 LYS 57 198.724 10.792 7.600 466 HE2 LYS 57 HE2 LYS 57 196.319 10.337 7.369 467 HE3 LYS 57 HE1 LYS 57 196.331 9.529 8.936 468 HZ1 LYS 57 HZ1 LYS 57 197.405 11.875 9.580 469 HZ2 LYS 57 HZ2 LYS 57 195.744 11.563 9.652 470 HZ3 LYS 57 HZ3 LYS 57 196.396 12.363 8.312 471 H LEU 58 HN LEU 58 199.401 9.177 3.045 472 HA LEU 58 HA LEU 58 196.861 10.292 2.910 473 HB2 LEU 58 HB2 LEU 58 197.332 10.744 0.582 474 HB3 LEU 58 HB1 LEU 58 198.753 11.047 1.563 475 HG LEU 58 HG LEU 58 199.281 8.522 0.822 476 HD11 LEU 58 HD11 LEU 58 197.727 7.864 -0.662 477 HD12 LEU 58 HD12 LEU 58 198.678 8.824 -1.795 478 HD13 LEU 58 HD13 LEU 58 197.240 9.515 -1.043 479 HD21 LEU 58 HD21 LEU 58 199.827 10.960 -0.865 480 HD22 LEU 58 HD22 LEU 58 200.746 9.455 -0.876 481 HD23 LEU 58 HD23 LEU 58 200.742 10.475 0.562 482 H ASN 59 HN ASN 59 198.046 7.223 1.612 483 HA ASN 59 HA ASN 59 195.613 5.893 1.810 484 HB2 ASN 59 HB2 ASN 59 195.427 7.688 -0.248 485 HB3 ASN 59 HB1 ASN 59 195.962 6.239 -1.093 486 HD21 ASN 59 HD21 ASN 59 193.393 7.687 -1.110 487 HD22 ASN 59 HD22 ASN 59 192.198 6.505 -0.708 488 H ASP 60 HN ASP 60 195.604 3.917 0.163 489 HA ASP 60 HA ASP 60 197.992 2.484 0.683 490 HB2 ASP 60 HB2 ASP 60 195.423 1.936 -0.709 491 HB3 ASP 60 HB1 ASP 60 196.790 0.905 -1.122 492 H PHE 61 HN PHE 61 199.629 3.778 -0.292 493 HA PHE 61 HA PHE 61 200.021 3.138 -3.106 494 HB2 PHE 61 HB2 PHE 61 199.708 5.893 -2.006 495 HB3 PHE 61 HB1 PHE 61 200.905 5.638 -3.272 496 HD1 PHE 61 HD2 PHE 61 199.831 3.917 -5.167 497 HD2 PHE 61 HD1 PHE 61 197.754 6.774 -2.798 498 HE1 PHE 61 HE2 PHE 61 198.059 4.033 -6.870 499 HE2 PHE 61 HE1 PHE 61 195.977 6.894 -4.496 500 HZ PHE 61 HZ PHE 61 196.129 5.524 -6.535 501 H ALA 62 HN ALA 62 202.036 2.478 -3.464 502 HA ALA 62 HA ALA 62 204.084 3.131 -1.444 503 HB1 ALA 62 HB1 ALA 62 204.111 0.895 -1.218 504 HB2 ALA 62 HB2 ALA 62 205.081 0.938 -2.690 505 HB3 ALA 62 HB3 ALA 62 203.348 0.624 -2.785 506 H ILE 63 HN ILE 63 206.241 3.465 -2.159 507 HA ILE 63 HA ILE 63 206.388 4.886 -4.661 508 HB ILE 63 HB ILE 63 208.924 4.287 -3.269 509 HG12 ILE 63 HG12 ILE 63 207.959 6.450 -1.804 510 HG13 ILE 63 HG11 ILE 63 206.627 5.301 -1.791 511 HG21 ILE 63 HG21 ILE 63 209.200 6.746 -3.631 512 HG22 ILE 63 HG22 ILE 63 207.619 6.746 -4.410 513 HG23 ILE 63 HG23 ILE 63 208.941 5.803 -5.097 514 HD11 ILE 63 HD11 ILE 63 208.341 3.570 -1.067 515 HD12 ILE 63 HD12 ILE 63 207.901 4.808 0.109 516 HD13 ILE 63 HD13 ILE 63 209.421 4.933 -0.776 517 H ASP 64 HN ASP 64 207.868 4.421 -6.378 518 HA ASP 64 HA ASP 64 208.805 1.647 -6.458 519 HB2 ASP 64 HB2 ASP 64 207.934 1.277 -8.643 520 HB3 ASP 64 HB1 ASP 64 206.619 1.909 -7.658 521 H ALA 65 HN ALA 65 210.745 1.340 -7.246 522 HA ALA 65 HA ALA 65 212.215 3.692 -8.223 523 HB1 ALA 65 HB1 ALA 65 214.160 1.870 -7.944 524 HB2 ALA 65 HB2 ALA 65 212.991 1.241 -6.782 525 HB3 ALA 65 HB3 ALA 65 213.588 2.893 -6.626 526 H SER 66 HN SER 66 210.458 2.653 -10.061 527 HA SER 66 HA SER 66 211.733 0.802 -11.829 528 HB2 SER 66 HB2 SER 66 209.489 2.673 -12.576 529 HB3 SER 66 HB1 SER 66 209.853 1.083 -13.247 530 HG SER 66 HG SER 66 208.085 1.359 -11.572 531 H HIS 67 HN HIS 67 211.234 4.308 -11.849 532 HA HIS 67 HA HIS 67 212.932 4.569 -14.206 533 HB2 HIS 67 HB2 HIS 67 211.243 6.554 -12.682 534 HB3 HIS 67 HB1 HIS 67 212.266 6.989 -14.041 535 HD1 HIS 67 HD1 HIS 67 209.302 4.753 -13.273 536 HD2 HIS 67 HD2 HIS 67 211.080 6.712 -16.478 537 HE1 HIS 67 HE1 HIS 67 207.732 4.434 -15.211 538 HE2 HIS 67 HE2 HIS 67 208.876 5.545 -17.162 539 H GLU 68 HN GLU 68 214.464 6.545 -14.120 540 HA GLU 68 HA GLU 68 216.555 6.032 -12.411 541 HB2 GLU 68 HB2 GLU 68 215.933 8.759 -13.546 542 HB3 GLU 68 HB1 GLU 68 217.513 8.119 -13.117 543 HG2 GLU 68 HG2 GLU 68 216.908 6.293 -14.898 544 HG3 GLU 68 HG1 GLU 68 215.811 7.542 -15.485 545 H GLN 69 HN GLN 69 213.919 8.348 -11.989 546 HA GLN 69 HA GLN 69 214.891 8.927 -9.283 547 HB2 GLN 69 HB2 GLN 69 212.623 10.527 -9.946 548 HB3 GLN 69 HB1 GLN 69 214.281 11.038 -9.683 549 HG2 GLN 69 HG2 GLN 69 213.846 11.857 -11.783 550 HG3 GLN 69 HG1 GLN 69 214.639 10.326 -12.145 551 HE21 GLN 69 HE21 GLN 69 212.927 11.765 -13.886 552 HE22 GLN 69 HE22 GLN 69 211.544 10.777 -14.198 553 H ILE 70 HN ILE 70 213.565 8.604 -7.490 554 HA ILE 70 HA ILE 70 211.671 6.491 -7.768 555 HB ILE 70 HB ILE 70 211.824 8.046 -5.226 556 HG12 ILE 70 HG12 ILE 70 214.150 7.897 -5.958 557 HG13 ILE 70 HG11 ILE 70 213.862 6.818 -4.601 558 HG21 ILE 70 HG21 ILE 70 210.659 5.675 -6.010 559 HG22 ILE 70 HG22 ILE 70 210.969 6.174 -4.347 560 HG23 ILE 70 HG23 ILE 70 212.130 5.152 -5.191 561 HD11 ILE 70 HD11 ILE 70 213.363 5.201 -6.741 562 HD12 ILE 70 HD12 ILE 70 214.882 5.284 -5.849 563 HD13 ILE 70 HD13 ILE 70 214.677 6.220 -7.330 564 H GLU 71 HN GLU 71 209.554 6.478 -7.744 565 HA GLU 71 HA GLU 71 208.071 8.983 -7.349 566 HB2 GLU 71 HB2 GLU 71 208.592 8.224 -9.839 567 HB3 GLU 71 HB1 GLU 71 207.218 7.167 -9.557 568 HG2 GLU 71 HG2 GLU 71 205.743 8.945 -9.309 569 HG3 GLU 71 HG1 GLU 71 207.039 10.097 -8.994 570 H THR 72 HN THR 72 205.710 8.602 -7.081 571 HA THR 72 HA THR 72 205.278 6.079 -5.643 572 HB THR 72 HB THR 72 203.370 7.334 -4.565 573 HG1 THR 72 HG1 THR 72 204.650 9.591 -5.701 574 HG21 THR 72 HG21 THR 72 204.669 8.359 -2.946 575 HG22 THR 72 HG22 THR 72 205.925 8.812 -4.098 576 HG23 THR 72 HG23 THR 72 205.741 7.127 -3.610 577 H GLN 73 HN GLN 73 203.582 4.758 -6.090 578 HA GLN 73 HA GLN 73 201.430 5.517 -7.819 579 HB2 GLN 73 HB2 GLN 73 202.501 3.239 -9.156 580 HB3 GLN 73 HB1 GLN 73 202.200 4.841 -9.805 581 HG2 GLN 73 HG2 GLN 73 204.680 4.600 -8.257 582 HG3 GLN 73 HG1 GLN 73 204.614 3.618 -9.716 583 HE21 GLN 73 HE21 GLN 73 203.743 4.845 -11.667 584 HE22 GLN 73 HE22 GLN 73 204.376 6.434 -11.907 585 HA PRO 74 HA PRO 74 199.310 2.167 -5.904 586 HB2 PRO 74 HB2 PRO 74 198.281 0.690 -7.984 587 HB3 PRO 74 HB1 PRO 74 197.566 2.181 -7.366 588 HG2 PRO 74 HG2 PRO 74 199.329 1.764 -9.739 589 HG3 PRO 74 HG1 PRO 74 197.908 2.810 -9.566 590 HD2 PRO 74 HD2 PRO 74 200.401 3.796 -9.479 591 HD3 PRO 74 HD1 PRO 74 199.103 4.462 -8.467 592 H PHE 75 HN PHE 75 199.834 0.219 -5.044 593 HA PHE 75 HA PHE 75 202.247 -1.027 -5.650 594 HB2 PHE 75 HB2 PHE 75 200.914 -1.194 -3.501 595 HB3 PHE 75 HB1 PHE 75 199.900 -2.380 -4.316 596 HD1 PHE 75 HD1 PHE 75 203.586 -1.912 -4.450 597 HD2 PHE 75 HD2 PHE 75 200.338 -4.390 -3.261 598 HE1 PHE 75 HE1 PHE 75 205.173 -3.688 -3.830 599 HE2 PHE 75 HE2 PHE 75 201.918 -6.170 -2.638 600 HZ PHE 75 HZ PHE 75 204.339 -5.820 -2.922 601 H ASP 76 HN ASP 76 202.846 -2.727 -6.900 602 HA ASP 76 HA ASP 76 200.758 -4.067 -8.477 603 HB2 ASP 76 HB2 ASP 76 201.877 -2.347 -9.856 604 HB3 ASP 76 HB1 ASP 76 203.426 -3.120 -9.539 605 HA PRO 77 HA PRO 77 202.729 -7.632 -6.605 606 HB2 PRO 77 HB2 PRO 77 201.217 -9.033 -8.744 607 HB3 PRO 77 HB1 PRO 77 201.244 -9.332 -7.003 608 HG2 PRO 77 HG2 PRO 77 199.148 -8.154 -8.148 609 HG3 PRO 77 HG1 PRO 77 199.729 -7.635 -6.554 610 HD2 PRO 77 HD2 PRO 77 200.102 -6.341 -9.224 611 HD3 PRO 77 HD1 PRO 77 199.817 -5.596 -7.638 612 H ASN 78 HN ASN 78 202.593 -7.114 -10.108 613 HA ASN 78 HA ASN 78 204.808 -8.922 -10.562 614 HB2 ASN 78 HB2 ASN 78 202.939 -7.361 -12.280 615 HB3 ASN 78 HB1 ASN 78 204.494 -7.828 -12.962 616 HD21 ASN 78 HD21 ASN 78 205.058 -10.156 -12.726 617 HD22 ASN 78 HD22 ASN 78 203.786 -11.307 -12.929 618 H ASN 79 HN ASN 79 204.638 -5.830 -9.435 619 HA ASN 79 HA ASN 79 207.106 -5.017 -10.809 620 HB2 ASN 79 HB2 ASN 79 204.944 -3.540 -10.750 621 HB3 ASN 79 HB1 ASN 79 205.493 -3.138 -9.125 622 HD21 ASN 79 HD21 ASN 79 206.397 -3.112 -12.521 623 HD22 ASN 79 HD22 ASN 79 207.525 -1.808 -12.402 624 HA PRO 80 HA PRO 80 208.792 -6.053 -6.726 625 HB2 PRO 80 HB2 PRO 80 211.314 -6.472 -7.522 626 HB3 PRO 80 HB1 PRO 80 210.036 -7.661 -7.808 627 HG2 PRO 80 HG2 PRO 80 211.185 -5.629 -9.680 628 HG3 PRO 80 HG1 PRO 80 210.806 -7.335 -9.979 629 HD2 PRO 80 HD2 PRO 80 209.170 -5.285 -10.725 630 HD3 PRO 80 HD1 PRO 80 208.576 -6.908 -10.320 631 H LYS 81 HN LYS 81 208.575 -3.254 -8.015 632 HA LYS 81 HA LYS 81 210.866 -2.064 -6.617 633 HB2 LYS 81 HB2 LYS 81 209.477 -1.327 -9.169 634 HB3 LYS 81 HB1 LYS 81 210.306 -0.099 -8.235 635 HG2 LYS 81 HG2 LYS 81 211.508 -2.571 -9.449 636 HG3 LYS 81 HG1 LYS 81 211.780 -0.897 -9.938 637 HD2 LYS 81 HD2 LYS 81 212.626 -0.559 -7.529 638 HD3 LYS 81 HD1 LYS 81 212.726 -2.319 -7.473 639 HE2 LYS 81 HE2 LYS 81 214.338 -2.396 -9.169 640 HE3 LYS 81 HE1 LYS 81 213.986 -0.751 -9.698 641 HZ1 LYS 81 HZ1 LYS 81 215.010 -1.201 -6.981 642 HZ2 LYS 81 HZ2 LYS 81 215.180 0.153 -7.980 643 HZ3 LYS 81 HZ3 LYS 81 216.087 -1.242 -8.285 644 H ARG 82 HN ARG 82 207.447 -2.281 -6.877 645 HA ARG 82 HA ARG 82 206.921 0.221 -5.518 646 HB2 ARG 82 HB2 ARG 82 205.151 -1.970 -6.566 647 HB3 ARG 82 HB1 ARG 82 204.527 -0.608 -5.645 648 HG2 ARG 82 HG2 ARG 82 204.812 0.853 -7.345 649 HG3 ARG 82 HG1 ARG 82 206.254 0.035 -7.950 650 HD2 ARG 82 HD2 ARG 82 205.078 -1.159 -9.408 651 HD3 ARG 82 HD1 ARG 82 203.887 -1.614 -8.191 652 HE ARG 82 HE ARG 82 203.169 0.901 -8.717 653 HH11 ARG 82 HH11 ARG 82 203.949 -1.738 -10.867 654 HH12 ARG 82 HH12 ARG 82 202.904 -1.180 -12.129 655 HH21 ARG 82 HH21 ARG 82 201.796 1.632 -10.376 656 HH22 ARG 82 HH22 ARG 82 201.683 0.732 -11.852 657 H ALA 83 HN ALA 83 208.329 -2.159 -4.208 658 HA ALA 83 HA ALA 83 206.621 -2.194 -1.806 659 HB1 ALA 83 HB1 ALA 83 208.205 -4.564 -1.870 660 HB2 ALA 83 HB2 ALA 83 207.304 -4.434 -3.381 661 HB3 ALA 83 HB3 ALA 83 206.449 -4.403 -1.839 662 H TRP 84 HN TRP 84 207.729 -0.732 -0.612 663 HA TRP 84 HA TRP 84 210.620 -1.167 -0.293 664 HB2 TRP 84 HB2 TRP 84 208.935 1.294 0.181 665 HB3 TRP 84 HB1 TRP 84 210.664 1.185 0.511 666 HD1 TRP 84 HD1 TRP 84 208.242 0.882 -2.501 667 HE1 TRP 84 HE1 TRP 84 209.517 1.602 -4.617 668 HE3 TRP 84 HE3 TRP 84 212.848 1.636 -0.439 669 HZ2 TRP 84 HZ2 TRP 84 212.127 2.405 -5.307 670 HZ3 TRP 84 HZ3 TRP 84 214.679 2.379 -1.891 671 HH2 TRP 84 HH2 TRP 84 214.327 2.755 -4.278 672 H ILE 85 HN ILE 85 211.501 -1.612 1.606 673 HA ILE 85 HA ILE 85 209.713 -1.780 3.949 674 HB ILE 85 HB ILE 85 211.374 -3.467 4.814 675 HG12 ILE 85 HG12 ILE 85 212.279 -3.947 2.022 676 HG13 ILE 85 HG11 ILE 85 213.022 -2.604 2.885 677 HG21 ILE 85 HG21 ILE 85 209.517 -4.574 4.151 678 HG22 ILE 85 HG22 ILE 85 210.605 -5.180 2.902 679 HG23 ILE 85 HG23 ILE 85 209.517 -3.838 2.549 680 HD11 ILE 85 HD11 ILE 85 213.699 -5.313 3.010 681 HD12 ILE 85 HD12 ILE 85 212.962 -4.920 4.563 682 HD13 ILE 85 HD13 ILE 85 214.344 -3.990 3.983 683 H VAL 86 HN VAL 86 210.629 -1.224 6.032 684 HA VAL 86 HA VAL 86 212.744 0.789 5.773 685 HB VAL 86 HB VAL 86 210.990 0.392 8.185 686 HG11 VAL 86 HG11 VAL 86 213.197 1.900 7.898 687 HG12 VAL 86 HG12 VAL 86 211.858 2.324 8.965 688 HG13 VAL 86 HG13 VAL 86 211.970 3.047 7.360 689 HG21 VAL 86 HG21 VAL 86 209.561 2.209 7.270 690 HG22 VAL 86 HG22 VAL 86 209.468 0.707 6.351 691 HG23 VAL 86 HG23 VAL 86 210.421 2.058 5.738 692 H SER 87 HN SER 87 214.694 0.445 6.589 693 HA SER 87 HA SER 87 215.036 -1.739 8.537 694 HB2 SER 87 HB2 SER 87 216.048 -2.449 6.488 695 HB3 SER 87 HB1 SER 87 216.833 -0.886 6.260 696 HG SER 87 HG SER 87 218.143 -1.334 8.039 697 H GLY 88 HN GLY 88 215.023 -0.514 10.393 698 HA2 GLY 88 HA2 GLY 88 215.997 0.729 12.063 699 HA3 GLY 88 HA1 GLY 88 217.440 0.822 11.066 700 H ASN 89 HN ASN 89 217.869 2.636 9.939 701 HA ASN 89 HA ASN 89 215.914 4.827 10.160 702 HB2 ASN 89 HB2 ASN 89 217.781 6.357 10.416 703 HB3 ASN 89 HB1 ASN 89 217.913 5.082 11.621 704 HD21 ASN 89 HD21 ASN 89 219.014 5.923 8.348 705 HD22 ASN 89 HD22 ASN 89 220.576 5.205 8.505 706 H THR 90 HN THR 90 216.274 2.907 7.946 707 HA THR 90 HA THR 90 216.632 4.880 5.853 708 HB THR 90 HB THR 90 218.059 2.926 4.714 709 HG1 THR 90 HG1 THR 90 218.895 1.618 6.099 710 HG21 THR 90 HG21 THR 90 220.085 4.105 5.259 711 HG22 THR 90 HG22 THR 90 219.281 4.916 6.603 712 HG23 THR 90 HG23 THR 90 218.789 5.259 4.944 713 H ILE 91 HN ILE 91 215.724 4.356 3.895 714 HA ILE 91 HA ILE 91 213.695 2.242 4.001 715 HB ILE 91 HB ILE 91 214.009 4.263 1.786 716 HG12 ILE 91 HG12 ILE 91 213.919 5.548 3.851 717 HG13 ILE 91 HG11 ILE 91 212.384 5.690 3.000 718 HG21 ILE 91 HG21 ILE 91 212.508 2.440 1.321 719 HG22 ILE 91 HG22 ILE 91 211.563 3.905 1.588 720 HG23 ILE 91 HG23 ILE 91 211.673 2.683 2.855 721 HD11 ILE 91 HD11 ILE 91 213.001 4.493 5.606 722 HD12 ILE 91 HD12 ILE 91 211.859 3.592 4.607 723 HD13 ILE 91 HD13 ILE 91 211.529 5.273 5.028 724 H ALA 92 HN ALA 92 214.060 0.347 3.024 725 HA ALA 92 HA ALA 92 216.049 0.297 0.845 726 HB1 ALA 92 HB1 ALA 92 216.507 -0.821 3.205 727 HB2 ALA 92 HB2 ALA 92 217.077 -1.546 1.702 728 HB3 ALA 92 HB3 ALA 92 215.610 -2.148 2.470 729 H GLN 93 HN GLN 93 215.662 -0.915 -0.937 730 HA GLN 93 HA GLN 93 213.001 -1.441 -1.695 731 HB2 GLN 93 HB2 GLN 93 215.188 -0.978 -3.076 732 HB3 GLN 93 HB1 GLN 93 215.337 -2.727 -3.057 733 HG2 GLN 93 HG2 GLN 93 214.085 -2.706 -4.883 734 HG3 GLN 93 HG1 GLN 93 212.730 -2.351 -3.812 735 HE21 GLN 93 HE21 GLN 93 215.436 -0.283 -4.750 736 HE22 GLN 93 HE22 GLN 93 214.475 0.939 -5.500 737 H LEU 94 HN LEU 94 211.923 -3.376 -2.073 738 HA LEU 94 HA LEU 94 212.291 -5.408 -0.177 739 HB2 LEU 94 HB2 LEU 94 210.455 -6.529 -1.163 740 HB3 LEU 94 HB1 LEU 94 210.127 -4.816 -1.274 741 HG LEU 94 HG LEU 94 211.171 -6.463 -3.580 742 HD11 LEU 94 HD11 LEU 94 208.532 -6.357 -2.447 743 HD12 LEU 94 HD12 LEU 94 209.156 -7.347 -3.765 744 HD13 LEU 94 HD13 LEU 94 208.540 -5.729 -4.095 745 HD21 LEU 94 HD21 LEU 94 211.584 -4.378 -4.348 746 HD22 LEU 94 HD22 LEU 94 210.492 -3.626 -3.195 747 HD23 LEU 94 HD23 LEU 94 209.850 -4.363 -4.655 748 H SER 95 HN SER 95 212.765 -5.617 -3.723 749 HA SER 95 HA SER 95 213.974 -8.187 -3.534 750 HB2 SER 95 HB2 SER 95 214.532 -7.702 -5.998 751 HB3 SER 95 HB1 SER 95 212.830 -7.786 -5.543 752 HG SER 95 HG SER 95 212.638 -5.655 -5.785 753 H ASP 96 HN ASP 96 215.231 -5.207 -2.774 754 HA ASP 96 HA ASP 96 217.939 -6.251 -3.099 755 HB2 ASP 96 HB2 ASP 96 216.886 -3.700 -4.250 756 HB3 ASP 96 HB1 ASP 96 218.553 -3.758 -3.684 757 H ARG 97 HN ARG 97 218.010 -6.608 -0.881 758 HA ARG 97 HA ARG 97 217.371 -4.630 1.049 759 HB2 ARG 97 HB2 ARG 97 218.724 -7.277 1.055 760 HB3 ARG 97 HB1 ARG 97 219.057 -6.208 2.410 761 HG2 ARG 97 HG2 ARG 97 217.254 -7.228 3.285 762 HG3 ARG 97 HG1 ARG 97 216.384 -6.017 2.340 763 HD2 ARG 97 HD2 ARG 97 215.299 -7.779 1.474 764 HD3 ARG 97 HD1 ARG 97 216.751 -7.982 0.495 765 HE ARG 97 HE ARG 97 217.146 -9.334 2.901 766 HH11 ARG 97 HH11 ARG 97 215.092 -9.535 0.088 767 HH12 ARG 97 HH12 ARG 97 214.894 -11.251 0.200 768 HH21 ARG 97 HH21 ARG 97 216.889 -11.592 3.051 769 HH22 ARG 97 HH22 ARG 97 215.915 -12.420 1.882 770 H ASP 98 HN ASP 98 219.995 -5.053 -1.067 771 HA ASP 98 HA ASP 98 221.853 -3.512 0.573 772 HB2 ASP 98 HB2 ASP 98 222.469 -5.552 -0.921 773 HB3 ASP 98 HB1 ASP 98 222.390 -4.398 -2.248 774 H ILE 99 HN ILE 99 219.270 -2.666 -1.015 775 HA ILE 99 HA ILE 99 220.456 -0.228 -2.155 776 HB ILE 99 HB ILE 99 218.171 -1.903 -3.176 777 HG12 ILE 99 HG12 ILE 99 220.529 -2.248 -3.990 778 HG13 ILE 99 HG11 ILE 99 219.364 -1.856 -5.251 779 HG21 ILE 99 HG21 ILE 99 217.738 -0.009 -4.788 780 HG22 ILE 99 HG22 ILE 99 218.677 1.013 -3.700 781 HG23 ILE 99 HG23 ILE 99 217.195 0.246 -3.130 782 HD11 ILE 99 HD11 ILE 99 221.798 -0.572 -4.654 783 HD12 ILE 99 HD12 ILE 99 220.501 0.564 -4.281 784 HD13 ILE 99 HD13 ILE 99 220.612 -0.151 -5.889 785 H VAL 100 HN VAL 100 219.749 1.607 -1.238 786 HA VAL 100 HA VAL 100 217.131 1.670 0.041 787 HB VAL 100 HB VAL 100 218.026 2.705 2.089 788 HG11 VAL 100 HG11 VAL 100 217.693 0.651 2.856 789 HG12 VAL 100 HG12 VAL 100 219.414 0.358 2.611 790 HG13 VAL 100 HG13 VAL 100 218.260 -0.073 1.355 791 HG21 VAL 100 HG21 VAL 100 220.109 3.576 1.491 792 HG22 VAL 100 HG22 VAL 100 220.653 2.045 0.805 793 HG23 VAL 100 HG23 VAL 100 220.499 2.223 2.553 794 H LEU 101 HN LEU 101 216.144 3.608 -0.114 795 HA LEU 101 HA LEU 101 216.954 5.539 -1.875 796 HB2 LEU 101 HB2 LEU 101 215.307 6.081 0.583 797 HB3 LEU 101 HB1 LEU 101 215.331 7.029 -0.880 798 HG LEU 101 HG LEU 101 214.537 4.171 -1.037 799 HD11 LEU 101 HD11 LEU 101 212.527 4.417 -0.073 800 HD12 LEU 101 HD12 LEU 101 212.326 6.057 -0.689 801 HD13 LEU 101 HD13 LEU 101 213.279 5.772 0.767 802 HD21 LEU 101 HD21 LEU 101 213.220 4.950 -2.903 803 HD22 LEU 101 HD22 LEU 101 214.885 5.508 -3.072 804 HD23 LEU 101 HD23 LEU 101 213.632 6.623 -2.527 805 H ASP 102 HN ASP 102 217.681 7.633 -1.698 806 HA ASP 102 HA ASP 102 219.135 8.431 0.674 807 HB2 ASP 102 HB2 ASP 102 220.642 6.876 -0.455 808 HB3 ASP 102 HB1 ASP 102 220.475 7.783 -1.948 809 H ILE 103 HN ILE 103 220.233 10.569 0.295 810 HA ILE 103 HA ILE 103 218.459 12.275 -1.265 811 HB ILE 103 HB ILE 103 220.733 13.130 0.526 812 HG12 ILE 103 HG12 ILE 103 219.141 11.821 1.829 813 HG13 ILE 103 HG11 ILE 103 218.995 13.526 2.243 814 HG21 ILE 103 HG21 ILE 103 218.361 14.828 0.080 815 HG22 ILE 103 HG22 ILE 103 219.437 14.612 -1.300 816 HG23 ILE 103 HG23 ILE 103 220.065 15.266 0.213 817 HD11 ILE 103 HD11 ILE 103 217.068 11.715 0.965 818 HD12 ILE 103 HD12 ILE 103 217.136 13.351 0.311 819 HD13 ILE 103 HD13 ILE 103 216.804 13.100 2.025 820 H ILE 104 HN ILE 104 218.965 12.889 -3.284 821 HA ILE 104 HA ILE 104 221.431 12.230 -4.481 822 HB ILE 104 HB ILE 104 219.349 12.474 -5.760 823 HG12 ILE 104 HG12 ILE 104 220.631 14.392 -7.351 824 HG13 ILE 104 HG11 ILE 104 221.926 13.591 -6.468 825 HG21 ILE 104 HG21 ILE 104 218.127 14.361 -5.904 826 HG22 ILE 104 HG22 ILE 104 219.548 15.405 -5.918 827 HG23 ILE 104 HG23 ILE 104 218.942 14.761 -4.392 828 HD11 ILE 104 HD11 ILE 104 219.818 12.042 -7.925 829 HD12 ILE 104 HD12 ILE 104 221.407 11.505 -7.380 830 HD13 ILE 104 HD13 ILE 104 221.272 12.636 -8.727 831 H LYS 105 HN LYS 105 223.226 13.372 -4.923 832 HA LYS 105 HA LYS 105 224.759 15.059 -4.954 833 HB2 LYS 105 HB2 LYS 105 222.632 16.955 -3.972 834 HB3 LYS 105 HB1 LYS 105 224.114 17.345 -4.831 835 HG2 LYS 105 HG2 LYS 105 222.090 15.599 -6.147 836 HG3 LYS 105 HG1 LYS 105 221.821 17.342 -6.071 837 HD2 LYS 105 HD2 LYS 105 224.124 17.624 -7.057 838 HD3 LYS 105 HD1 LYS 105 224.132 15.881 -7.336 839 HE2 LYS 105 HE2 LYS 105 223.286 16.500 -9.340 840 HE3 LYS 105 HE1 LYS 105 221.770 16.489 -8.440 841 HZ1 LYS 105 HZ1 LYS 105 223.465 18.882 -8.912 842 HZ2 LYS 105 HZ2 LYS 105 221.987 18.860 -8.091 843 HZ3 LYS 105 HZ3 LYS 105 222.040 18.512 -9.745 844 H SER 106 HN SER 106 223.181 13.924 -2.264 845 HA SER 106 HA SER 106 223.541 14.016 -0.009 846 HB2 SER 106 HB2 SER 106 226.405 14.419 -0.902 847 HB3 SER 106 HB1 SER 106 225.865 13.738 0.632 848 HG SER 106 HG SER 106 225.320 12.620 -1.920 849 H ASP 107 HN ASP 107 222.955 16.589 -1.279 850 HA ASP 107 HA ASP 107 224.508 18.456 0.362 851 HB2 ASP 107 HB2 ASP 107 222.639 18.889 -1.970 852 HB3 ASP 107 HB1 ASP 107 223.326 20.205 -1.024 853 H LYS 108 HN LYS 108 223.282 20.275 1.355 854 HA LYS 108 HA LYS 108 221.121 19.205 2.945 855 HB2 LYS 108 HB2 LYS 108 223.095 21.255 3.227 856 HB3 LYS 108 HB1 LYS 108 221.508 21.969 3.476 857 HG2 LYS 108 HG2 LYS 108 221.801 21.291 5.589 858 HG3 LYS 108 HG1 LYS 108 221.285 19.723 4.964 859 HD2 LYS 108 HD2 LYS 108 223.567 19.018 4.692 860 HD3 LYS 108 HD1 LYS 108 224.158 20.627 5.112 861 HE2 LYS 108 HE2 LYS 108 222.402 19.479 7.138 862 HE3 LYS 108 HE1 LYS 108 223.849 18.514 6.847 863 HZ1 LYS 108 HZ1 LYS 108 224.052 20.281 8.591 864 HZ2 LYS 108 HZ2 LYS 108 223.941 21.432 7.357 865 HZ3 LYS 108 HZ3 LYS 108 225.228 20.335 7.376 866 H GLU 109 HN GLU 109 221.412 21.007 0.086 867 HA GLU 109 HA GLU 109 219.355 22.810 0.075 868 HB2 GLU 109 HB2 GLU 109 219.162 22.408 -2.346 869 HB3 GLU 109 HB1 GLU 109 220.839 22.512 -1.828 870 HG2 GLU 109 HG2 GLU 109 221.064 20.115 -1.924 871 HG3 GLU 109 HG1 GLU 109 219.352 19.941 -2.309 872 H ALA 110 HN ALA 110 217.208 22.752 0.243 873 HA ALA 110 HA ALA 110 215.886 20.224 0.663 874 HB1 ALA 110 HB1 ALA 110 214.265 22.681 0.488 875 HB2 ALA 110 HB2 ALA 110 215.511 22.660 1.736 876 HB3 ALA 110 HB3 ALA 110 214.271 21.407 1.707 877 H GLY 111 HN GLY 111 213.832 19.684 -0.426 878 HA2 GLY 111 HA2 GLY 111 212.519 19.367 -2.287 879 HA3 GLY 111 HA1 GLY 111 213.181 20.856 -2.946 880 H ALA 112 HN ALA 112 215.470 18.508 -1.961 881 HA ALA 112 HA ALA 112 216.297 18.138 -4.705 882 HB1 ALA 112 HB1 ALA 112 217.529 16.870 -2.272 883 HB2 ALA 112 HB2 ALA 112 217.868 18.530 -2.760 884 HB3 ALA 112 HB3 ALA 112 218.280 17.193 -3.835 885 H HIS 113 HN HIS 113 216.173 16.314 -5.888 886 HA HIS 113 HA HIS 113 214.178 14.423 -5.317 887 HB2 HIS 113 HB2 HIS 113 216.450 14.185 -7.299 888 HB3 HIS 113 HB1 HIS 113 214.957 13.252 -7.315 889 HD1 HIS 113 HD1 HIS 113 216.307 15.668 -9.279 890 HD2 HIS 113 HD2 HIS 113 212.743 15.572 -7.144 891 HE1 HIS 113 HE1 HIS 113 214.810 17.354 -10.392 892 HE2 HIS 113 HE2 HIS 113 212.642 17.245 -9.113 893 H ILE 114 HN ILE 114 214.656 11.988 -5.435 894 HA ILE 114 HA ILE 114 217.055 11.250 -3.956 895 HB ILE 114 HB ILE 114 215.406 9.712 -2.608 896 HG12 ILE 114 HG12 ILE 114 213.695 12.063 -3.401 897 HG13 ILE 114 HG11 ILE 114 213.336 10.351 -3.605 898 HG21 ILE 114 HG21 ILE 114 216.308 10.895 -0.958 899 HG22 ILE 114 HG22 ILE 114 215.211 12.234 -1.293 900 HG23 ILE 114 HG23 ILE 114 216.763 12.140 -2.121 901 HD11 ILE 114 HD11 ILE 114 212.948 12.099 -1.301 902 HD12 ILE 114 HD12 ILE 114 213.656 10.531 -0.913 903 HD13 ILE 114 HD13 ILE 114 212.112 10.616 -1.761 904 H CYS 115 HN CYS 115 217.375 8.865 -3.899 905 HA CYS 115 HA CYS 115 215.854 7.278 -5.740 906 HB2 CYS 115 HB2 CYS 115 217.764 6.727 -7.174 907 HB3 CYS 115 HB1 CYS 115 217.381 8.442 -7.267 908 HG CYS 115 HG CYS 115 219.688 7.633 -5.386 909 H ALA 116 HN ALA 116 216.955 5.001 -5.865 910 HA ALA 116 HA ALA 116 217.789 4.356 -3.134 911 HB1 ALA 116 HB1 ALA 116 217.394 2.121 -4.965 912 HB2 ALA 116 HB2 ALA 116 215.973 3.145 -4.790 913 HB3 ALA 116 HB3 ALA 116 216.709 2.410 -3.366 914 H TRP 117 HN TRP 117 219.837 3.870 -2.694 915 HA TRP 117 HA TRP 117 221.557 2.993 -4.902 916 HB2 TRP 117 HB2 TRP 117 221.971 5.363 -4.645 917 HB3 TRP 117 HB1 TRP 117 222.263 5.161 -2.925 918 HD1 TRP 117 HD1 TRP 117 224.717 4.842 -2.241 919 HE1 TRP 117 HE1 TRP 117 226.913 4.325 -3.481 920 HE3 TRP 117 HE3 TRP 117 222.824 3.940 -6.904 921 HZ2 TRP 117 HZ2 TRP 117 227.733 3.627 -6.091 922 HZ3 TRP 117 HZ3 TRP 117 224.381 3.354 -8.717 923 HH2 TRP 117 HH2 TRP 117 226.785 3.201 -8.317 924 H LYS 118 HN LYS 118 223.590 2.093 -4.220 925 HA LYS 118 HA LYS 118 223.263 0.034 -2.342 926 HB2 LYS 118 HB2 LYS 118 225.128 0.690 -4.307 927 HB3 LYS 118 HB1 LYS 118 226.057 0.681 -2.815 928 HG2 LYS 118 HG2 LYS 118 224.327 -1.606 -2.907 929 HG3 LYS 118 HG1 LYS 118 225.298 -1.512 -4.378 930 HD2 LYS 118 HD2 LYS 118 226.637 -1.080 -1.752 931 HD3 LYS 118 HD1 LYS 118 226.200 -2.725 -2.218 932 HE2 LYS 118 HE2 LYS 118 227.405 -2.333 -4.380 933 HE3 LYS 118 HE1 LYS 118 227.978 -0.805 -3.712 934 HZ1 LYS 118 HZ1 LYS 118 228.955 -2.119 -1.860 935 HZ2 LYS 118 HZ2 LYS 118 229.654 -2.433 -3.368 936 HZ3 LYS 118 HZ3 LYS 118 228.556 -3.533 -2.700 937 H GLN 119 HN GLN 119 223.320 0.088 -0.189 938 HA GLN 119 HA GLN 119 223.787 2.330 1.346 939 HB2 GLN 119 HB2 GLN 119 222.677 0.161 2.043 940 HB3 GLN 119 HB1 GLN 119 224.291 -0.486 2.303 941 HG2 GLN 119 HG2 GLN 119 224.732 1.105 4.022 942 HG3 GLN 119 HG1 GLN 119 223.246 1.984 3.663 943 HE21 GLN 119 HE21 GLN 119 221.227 0.608 3.834 944 HE22 GLN 119 HE22 GLN 119 221.131 -0.451 5.196 945 H HIS 120 HN HIS 120 225.537 3.436 1.885 946 HA HIS 120 HA HIS 120 228.134 2.052 1.925 947 HB2 HIS 120 HB2 HIS 120 229.137 4.200 1.059 948 HB3 HIS 120 HB1 HIS 120 228.150 3.314 -0.099 949 HD1 HIS 120 HD1 HIS 120 228.632 6.613 1.234 950 HD2 HIS 120 HD2 HIS 120 225.392 4.456 -0.220 951 HE1 HIS 120 HE1 HIS 120 226.878 8.327 0.679 952 HE2 HIS 120 HE2 HIS 120 224.959 7.005 -0.279 953 H GLY 121 HN GLY 121 225.926 3.519 3.799 954 HA2 GLY 121 HA2 GLY 121 226.065 4.247 5.981 955 HA3 GLY 121 HA1 GLY 121 227.805 4.024 5.897 956 H GLY 122 HN GLY 122 226.746 5.950 3.346 957 HA2 GLY 122 HA2 GLY 122 228.126 8.227 4.260 958 HA3 GLY 122 HA1 GLY 122 227.038 8.178 2.883 959 HA PRO 123 HA PRO 123 225.299 10.272 6.983 960 HB2 PRO 123 HB2 PRO 123 226.230 12.762 5.647 961 HB3 PRO 123 HB1 PRO 123 226.201 12.349 7.365 962 HG2 PRO 123 HG2 PRO 123 228.491 12.349 6.005 963 HG3 PRO 123 HG1 PRO 123 228.161 11.118 7.239 964 HD2 PRO 123 HD2 PRO 123 228.070 10.894 4.261 965 HD3 PRO 123 HD1 PRO 123 228.608 9.707 5.468 966 H ASN 124 HN ASN 124 225.398 11.093 3.567 967 HA ASN 124 HA ASN 124 222.928 12.494 3.502 968 HB2 ASN 124 HB2 ASN 124 223.089 12.013 0.996 969 HB3 ASN 124 HB1 ASN 124 224.402 12.940 1.715 970 HD21 ASN 124 HD21 ASN 124 223.481 9.608 0.949 971 HD22 ASN 124 HD22 ASN 124 225.064 9.092 0.492 972 H GLN 125 HN GLN 125 223.625 9.212 3.878 973 HA GLN 125 HA GLN 125 221.059 8.370 2.735 974 HB2 GLN 125 HB2 GLN 125 223.658 7.094 3.131 975 HB3 GLN 125 HB1 GLN 125 222.319 6.092 3.674 976 HG2 GLN 125 HG2 GLN 125 221.283 6.650 1.376 977 HG3 GLN 125 HG1 GLN 125 222.926 7.109 0.933 978 HE21 GLN 125 HE21 GLN 125 222.509 5.326 -0.629 979 HE22 GLN 125 HE22 GLN 125 222.913 3.720 -0.135 980 H LYS 126 HN LYS 126 221.791 9.744 5.451 981 HA LYS 126 HA LYS 126 220.570 7.785 7.256 982 HB2 LYS 126 HB2 LYS 126 221.677 10.460 8.069 983 HB3 LYS 126 HB1 LYS 126 221.446 9.025 9.058 984 HG2 LYS 126 HG2 LYS 126 223.401 9.128 6.780 985 HG3 LYS 126 HG1 LYS 126 223.822 9.588 8.431 986 HD2 LYS 126 HD2 LYS 126 222.456 7.017 8.275 987 HD3 LYS 126 HD1 LYS 126 223.970 7.050 7.370 988 HE2 LYS 126 HE2 LYS 126 223.707 7.957 10.230 989 HE3 LYS 126 HE1 LYS 126 224.177 6.324 9.761 990 HZ1 LYS 126 HZ1 LYS 126 226.104 7.196 8.654 991 HZ2 LYS 126 HZ2 LYS 126 226.083 7.775 10.242 992 HZ3 LYS 126 HZ3 LYS 126 225.629 8.790 8.967 993 H PHE 127 HN PHE 127 218.514 7.939 7.856 994 HA PHE 127 HA PHE 127 217.163 10.540 7.638 995 HB2 PHE 127 HB2 PHE 127 215.909 7.889 6.933 996 HB3 PHE 127 HB1 PHE 127 215.150 9.467 6.822 997 HD1 PHE 127 HD2 PHE 127 217.896 7.402 5.430 998 HD2 PHE 127 HD1 PHE 127 215.337 10.760 4.892 999 HE1 PHE 127 HE2 PHE 127 218.682 7.625 3.108 1000 HE2 PHE 127 HE1 PHE 127 216.117 10.988 2.571 1001 HZ PHE 127 HZ PHE 127 217.790 9.421 1.676 1002 H ILE 128 HN ILE 128 215.380 10.817 9.051 1003 HA ILE 128 HA ILE 128 215.518 9.069 11.421 1004 HB ILE 128 HB ILE 128 214.503 11.854 11.649 1005 HG12 ILE 128 HG12 ILE 128 217.444 11.138 11.663 1006 HG13 ILE 128 HG11 ILE 128 216.636 12.042 10.387 1007 HG21 ILE 128 HG21 ILE 128 214.283 10.575 13.603 1008 HG22 ILE 128 HG22 ILE 128 215.700 11.588 13.877 1009 HG23 ILE 128 HG23 ILE 128 215.900 9.892 13.437 1010 HD11 ILE 128 HD11 ILE 128 217.936 13.136 12.506 1011 HD12 ILE 128 HD12 ILE 128 216.261 13.163 13.058 1012 HD13 ILE 128 HD13 ILE 128 216.703 13.950 11.543 1013 H ILE 129 HN ILE 129 213.693 8.396 12.363 1014 HA ILE 129 HA ILE 129 211.185 8.936 10.930 1015 HB ILE 129 HB ILE 129 211.800 6.493 12.587 1016 HG12 ILE 129 HG12 ILE 129 213.352 6.536 10.722 1017 HG13 ILE 129 HG11 ILE 129 212.111 5.326 10.414 1018 HG21 ILE 129 HG21 ILE 129 209.402 7.408 11.889 1019 HG22 ILE 129 HG22 ILE 129 209.778 5.688 11.978 1020 HG23 ILE 129 HG23 ILE 129 209.793 6.514 10.420 1021 HD11 ILE 129 HD11 ILE 129 212.764 6.752 8.459 1022 HD12 ILE 129 HD12 ILE 129 212.001 8.108 9.290 1023 HD13 ILE 129 HD13 ILE 129 211.040 6.705 8.823 1024 H GLU 130 HN GLU 130 209.348 9.462 12.068 1025 HA GLU 130 HA GLU 130 209.465 9.493 14.989 1026 HB2 GLU 130 HB2 GLU 130 208.867 11.903 13.267 1027 HB3 GLU 130 HB1 GLU 130 208.529 11.821 14.991 1028 HG2 GLU 130 HG2 GLU 130 210.731 11.953 15.573 1029 HG3 GLU 130 HG1 GLU 130 211.288 11.227 14.066 1030 H SER 131 HN SER 131 207.888 7.943 15.150 1031 HA SER 131 HA SER 131 205.580 7.702 13.634 1032 HB2 SER 131 HB2 SER 131 205.945 6.982 16.551 1033 HB3 SER 131 HB1 SER 131 204.683 6.360 15.488 1034 HG SER 131 HG SER 131 207.482 5.973 15.225 1035 H GLU 132 HN GLU 132 204.166 9.281 13.268 1036 HA GLU 132 HA GLU 132 202.810 11.093 13.581 1037 HB2 GLU 132 HB2 GLU 132 201.685 9.047 14.718 1038 HB3 GLU 132 HB1 GLU 132 202.073 9.873 16.221 1039 HG2 GLU 132 HG2 GLU 132 200.638 11.346 14.064 1040 HG3 GLU 132 HG1 GLU 132 199.756 10.211 15.085 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 192.032 -0.232 11.466 2 H2 MET 1 HT2 MET 1 190.400 -0.739 11.631 3 H3 MET 1 HT3 MET 1 190.885 0.805 12.204 4 HA MET 1 HA MET 1 190.565 -0.141 9.452 5 HB2 MET 1 HB2 MET 1 189.470 2.052 11.197 6 HB3 MET 1 HB1 MET 1 189.362 2.153 9.445 7 HG2 MET 1 HG2 MET 1 188.199 -0.062 9.479 8 HG3 MET 1 HG1 MET 1 188.154 0.064 11.236 9 HE1 MET 1 HE1 MET 1 184.800 0.904 8.903 10 HE2 MET 1 HE2 MET 1 185.014 -0.101 10.336 11 HE3 MET 1 HE3 MET 1 186.069 -0.320 8.940 12 H LYS 2 HN LYS 2 191.880 2.541 11.399 13 HA LYS 2 HA LYS 2 193.401 3.466 9.086 14 HB2 LYS 2 HB2 LYS 2 192.058 4.976 10.709 15 HB3 LYS 2 HB1 LYS 2 193.426 4.764 11.794 16 HG2 LYS 2 HG2 LYS 2 194.676 6.218 10.667 17 HG3 LYS 2 HG1 LYS 2 194.246 5.510 9.110 18 HD2 LYS 2 HD2 LYS 2 193.385 7.671 8.978 19 HD3 LYS 2 HD1 LYS 2 191.984 6.701 9.438 20 HE2 LYS 2 HE2 LYS 2 191.770 8.374 10.964 21 HE3 LYS 2 HE1 LYS 2 192.843 7.312 11.873 22 HZ1 LYS 2 HZ1 LYS 2 194.144 9.232 10.125 23 HZ2 LYS 2 HZ2 LYS 2 194.555 8.739 11.690 24 HZ3 LYS 2 HZ3 LYS 2 193.336 9.888 11.460 25 HA PRO 3 HA PRO 3 196.957 1.258 10.685 26 HB2 PRO 3 HB2 PRO 3 198.721 2.025 8.788 27 HB3 PRO 3 HB1 PRO 3 197.467 0.817 8.481 28 HG2 PRO 3 HG2 PRO 3 197.502 3.730 7.787 29 HG3 PRO 3 HG1 PRO 3 196.982 2.351 6.800 30 HD2 PRO 3 HD2 PRO 3 195.238 3.958 8.123 31 HD3 PRO 3 HD1 PRO 3 194.922 2.239 7.818 32 H LYS 4 HN LYS 4 199.369 1.895 11.011 33 HA LYS 4 HA LYS 4 199.371 4.447 12.437 34 HB2 LYS 4 HB2 LYS 4 201.375 2.184 12.513 35 HB3 LYS 4 HB1 LYS 4 201.385 3.604 13.550 36 HG2 LYS 4 HG2 LYS 4 198.865 2.134 13.609 37 HG3 LYS 4 HG1 LYS 4 200.253 1.194 14.158 38 HD2 LYS 4 HD2 LYS 4 199.968 3.971 15.176 39 HD3 LYS 4 HD1 LYS 4 198.862 2.747 15.803 40 HE2 LYS 4 HE2 LYS 4 200.942 3.052 17.151 41 HE3 LYS 4 HE1 LYS 4 200.673 1.405 16.583 42 HZ1 LYS 4 HZ1 LYS 4 202.532 3.394 15.398 43 HZ2 LYS 4 HZ2 LYS 4 202.229 1.859 14.756 44 HZ3 LYS 4 HZ3 LYS 4 202.963 2.011 16.272 45 H PHE 5 HN PHE 5 200.311 6.179 11.602 46 HA PHE 5 HA PHE 5 202.081 5.860 9.295 47 HB2 PHE 5 HB2 PHE 5 200.859 8.387 10.423 48 HB3 PHE 5 HB1 PHE 5 201.716 8.236 8.894 49 HD1 PHE 5 HD1 PHE 5 200.705 6.816 7.078 50 HD2 PHE 5 HD2 PHE 5 198.565 7.952 10.577 51 HE1 PHE 5 HE1 PHE 5 198.582 6.319 5.937 52 HE2 PHE 5 HE2 PHE 5 196.439 7.454 9.442 53 HZ PHE 5 HZ PHE 5 196.446 6.636 7.120 54 H PHE 6 HN PHE 6 203.844 7.680 9.191 55 HA PHE 6 HA PHE 6 204.992 8.318 11.783 56 HB2 PHE 6 HB2 PHE 6 207.121 7.134 10.233 57 HB3 PHE 6 HB1 PHE 6 206.653 6.837 11.895 58 HD1 PHE 6 HD1 PHE 6 204.809 5.144 12.329 59 HD2 PHE 6 HD2 PHE 6 206.749 5.574 8.568 60 HE1 PHE 6 HE1 PHE 6 204.081 2.882 11.697 61 HE2 PHE 6 HE2 PHE 6 206.022 3.316 7.925 62 HZ PHE 6 HZ PHE 6 204.685 1.964 9.494 63 H TYR 7 HN TYR 7 207.169 9.426 11.477 64 HA TYR 7 HA TYR 7 206.977 11.134 9.098 65 HB2 TYR 7 HB2 TYR 7 207.102 11.802 11.856 66 HB3 TYR 7 HB1 TYR 7 208.622 12.313 11.131 67 HD1 TYR 7 HD2 TYR 7 208.148 13.434 8.653 68 HD2 TYR 7 HD1 TYR 7 205.522 13.460 12.000 69 HE1 TYR 7 HE2 TYR 7 207.055 15.453 7.772 70 HE2 TYR 7 HE1 TYR 7 204.421 15.479 11.128 71 HH TYR 7 HH TYR 7 204.911 16.620 7.964 72 H ILE 8 HN ILE 8 208.580 10.982 7.671 73 HA ILE 8 HA ILE 8 211.087 9.711 8.540 74 HB ILE 8 HB ILE 8 211.002 9.911 5.697 75 HG12 ILE 8 HG12 ILE 8 208.527 10.073 5.976 76 HG13 ILE 8 HG11 ILE 8 209.033 8.616 5.129 77 HG21 ILE 8 HG21 ILE 8 211.321 7.547 5.788 78 HG22 ILE 8 HG22 ILE 8 210.644 7.463 7.414 79 HG23 ILE 8 HG23 ILE 8 212.193 8.261 7.145 80 HD11 ILE 8 HD11 ILE 8 208.747 8.329 8.034 81 HD12 ILE 8 HD12 ILE 8 208.239 7.262 6.725 82 HD13 ILE 8 HD13 ILE 8 207.257 8.663 7.152 83 H LYS 9 HN LYS 9 212.514 11.232 9.073 84 HA LYS 9 HA LYS 9 212.671 13.661 7.437 85 HB2 LYS 9 HB2 LYS 9 212.265 14.089 9.759 86 HB3 LYS 9 HB1 LYS 9 213.587 13.035 10.238 87 HG2 LYS 9 HG2 LYS 9 215.090 14.654 10.023 88 HG3 LYS 9 HG1 LYS 9 214.448 15.158 8.460 89 HD2 LYS 9 HD2 LYS 9 213.143 16.751 9.360 90 HD3 LYS 9 HD1 LYS 9 212.770 15.783 10.787 91 HE2 LYS 9 HE2 LYS 9 215.553 16.744 10.543 92 HE3 LYS 9 HE1 LYS 9 214.327 17.975 10.847 93 HZ1 LYS 9 HZ1 LYS 9 214.774 15.542 12.490 94 HZ2 LYS 9 HZ2 LYS 9 213.602 16.726 12.783 95 HZ3 LYS 9 HZ3 LYS 9 215.244 17.114 12.906 96 H SER 10 HN SER 10 214.499 14.246 6.389 97 HA SER 10 HA SER 10 216.556 12.273 6.018 98 HB2 SER 10 HB2 SER 10 217.553 14.428 4.747 99 HB3 SER 10 HB1 SER 10 216.313 13.396 4.035 100 HG SER 10 HG SER 10 215.138 15.125 3.975 101 H GLU 11 HN GLU 11 218.011 11.989 7.567 102 HA GLU 11 HA GLU 11 218.655 13.845 9.562 103 HB2 GLU 11 HB2 GLU 11 218.965 11.478 9.929 104 HB3 GLU 11 HB1 GLU 11 220.140 11.391 8.626 105 HG2 GLU 11 HG2 GLU 11 221.816 12.141 9.909 106 HG3 GLU 11 HG1 GLU 11 220.794 13.311 10.742 107 H LEU 12 HN LEU 12 219.601 13.784 6.343 108 HA LEU 12 HA LEU 12 222.207 14.972 6.764 109 HB2 LEU 12 HB2 LEU 12 221.784 13.499 4.837 110 HB3 LEU 12 HB1 LEU 12 220.596 14.639 4.232 111 HG LEU 12 HG LEU 12 222.332 16.314 3.889 112 HD11 LEU 12 HD11 LEU 12 224.672 15.814 4.235 113 HD12 LEU 12 HD12 LEU 12 224.267 14.209 4.843 114 HD13 LEU 12 HD13 LEU 12 223.791 15.643 5.753 115 HD21 LEU 12 HD21 LEU 12 221.886 14.121 2.359 116 HD22 LEU 12 HD22 LEU 12 223.628 14.012 2.610 117 HD23 LEU 12 HD23 LEU 12 222.930 15.466 1.897 118 H ASN 13 HN ASN 13 219.270 16.065 5.049 119 HA ASN 13 HA ASN 13 220.100 18.820 5.247 120 HB2 ASN 13 HB2 ASN 13 217.458 17.839 4.204 121 HB3 ASN 13 HB1 ASN 13 218.351 19.278 3.737 122 HD21 ASN 13 HD21 ASN 13 217.326 16.624 2.465 123 HD22 ASN 13 HD22 ASN 13 218.648 16.158 1.457 124 H GLY 14 HN GLY 14 218.250 16.726 7.192 125 HA2 GLY 14 HA2 GLY 14 217.115 17.188 9.155 126 HA3 GLY 14 HA1 GLY 14 217.472 18.894 8.912 127 H LYS 15 HN LYS 15 216.167 17.715 6.106 128 HA LYS 15 HA LYS 15 213.584 18.925 6.665 129 HB2 LYS 15 HB2 LYS 15 214.555 17.821 4.032 130 HB3 LYS 15 HB1 LYS 15 213.314 19.027 4.304 131 HG2 LYS 15 HG2 LYS 15 216.280 19.354 4.638 132 HG3 LYS 15 HG1 LYS 15 215.236 20.133 3.448 133 HD2 LYS 15 HD2 LYS 15 214.193 20.708 6.023 134 HD3 LYS 15 HD1 LYS 15 215.930 21.014 6.067 135 HE2 LYS 15 HE2 LYS 15 214.351 22.024 3.752 136 HE3 LYS 15 HE1 LYS 15 214.232 22.873 5.293 137 HZ1 LYS 15 HZ1 LYS 15 216.918 22.235 4.379 138 HZ2 LYS 15 HZ2 LYS 15 216.336 23.628 5.140 139 HZ3 LYS 15 HZ3 LYS 15 216.089 23.406 3.482 140 H VAL 16 HN VAL 16 211.708 17.714 5.381 141 HA VAL 16 HA VAL 16 211.902 14.857 6.083 142 HB VAL 16 HB VAL 16 209.381 14.993 6.354 143 HG11 VAL 16 HG11 VAL 16 209.527 15.576 8.634 144 HG12 VAL 16 HG12 VAL 16 210.878 16.674 8.346 145 HG13 VAL 16 HG13 VAL 16 211.111 14.931 8.205 146 HG21 VAL 16 HG21 VAL 16 209.727 17.907 6.867 147 HG22 VAL 16 HG22 VAL 16 208.270 16.998 6.465 148 HG23 VAL 16 HG23 VAL 16 209.460 17.356 5.213 149 H LEU 17 HN LEU 17 211.051 13.368 4.657 150 HA LEU 17 HA LEU 17 210.986 14.145 1.915 151 HB2 LEU 17 HB2 LEU 17 209.907 11.536 2.948 152 HB3 LEU 17 HB1 LEU 17 210.687 11.865 1.413 153 HG LEU 17 HG LEU 17 212.020 11.724 4.116 154 HD11 LEU 17 HD11 LEU 17 211.377 9.579 3.003 155 HD12 LEU 17 HD12 LEU 17 213.107 9.777 3.280 156 HD13 LEU 17 HD13 LEU 17 212.438 10.025 1.667 157 HD21 LEU 17 HD21 LEU 17 212.946 12.775 1.493 158 HD22 LEU 17 HD22 LEU 17 214.086 11.864 2.484 159 HD23 LEU 17 HD23 LEU 17 213.324 13.319 3.127 160 H ASP 18 HN ASP 18 209.259 14.554 0.579 161 HA ASP 18 HA ASP 18 206.555 14.073 1.578 162 HB2 ASP 18 HB2 ASP 18 207.283 16.386 2.271 163 HB3 ASP 18 HB1 ASP 18 207.423 16.786 0.563 164 H ILE 19 HN ILE 19 205.017 13.825 -0.019 165 HA ILE 19 HA ILE 19 206.021 13.206 -2.645 166 HB ILE 19 HB ILE 19 203.092 13.440 -2.019 167 HG12 ILE 19 HG12 ILE 19 204.232 12.186 -0.146 168 HG13 ILE 19 HG11 ILE 19 203.017 11.269 -1.022 169 HG21 ILE 19 HG21 ILE 19 203.454 11.168 -3.459 170 HG22 ILE 19 HG22 ILE 19 204.775 12.175 -4.053 171 HG23 ILE 19 HG23 ILE 19 203.112 12.755 -4.148 172 HD11 ILE 19 HD11 ILE 19 205.201 10.547 -2.398 173 HD12 ILE 19 HD12 ILE 19 204.610 9.689 -0.976 174 HD13 ILE 19 HD13 ILE 19 205.921 10.858 -0.819 175 H GLU 20 HN GLU 20 206.001 14.503 -4.436 176 HA GLU 20 HA GLU 20 205.615 17.252 -4.219 177 HB2 GLU 20 HB2 GLU 20 205.788 17.303 -6.662 178 HB3 GLU 20 HB1 GLU 20 207.002 16.246 -5.956 179 HG2 GLU 20 HG2 GLU 20 206.326 14.621 -7.282 180 HG3 GLU 20 HG1 GLU 20 204.753 14.645 -6.488 181 H GLY 21 HN GLY 21 203.790 18.342 -3.918 182 HA2 GLY 21 HA2 GLY 21 201.545 18.864 -3.906 183 HA3 GLY 21 HA1 GLY 21 201.627 18.426 -5.606 184 H GLN 22 HN GLN 22 201.885 16.496 -2.636 185 HA GLN 22 HA GLN 22 200.759 14.652 -1.919 186 HB2 GLN 22 HB2 GLN 22 198.769 16.429 -2.955 187 HB3 GLN 22 HB1 GLN 22 198.310 14.780 -3.355 188 HG2 GLN 22 HG2 GLN 22 197.314 15.050 -1.312 189 HG3 GLN 22 HG1 GLN 22 198.849 14.312 -0.855 190 HE21 GLN 22 HE21 GLN 22 197.521 15.616 1.050 191 HE22 GLN 22 HE22 GLN 22 198.278 17.123 1.423 192 H ASN 23 HN ASN 23 199.037 12.880 -3.114 193 HA ASN 23 HA ASN 23 200.246 12.180 -5.685 194 HB2 ASN 23 HB2 ASN 23 201.502 11.018 -3.846 195 HB3 ASN 23 HB1 ASN 23 200.008 10.183 -3.430 196 HD21 ASN 23 HD21 ASN 23 201.342 8.282 -3.862 197 HD22 ASN 23 HD22 ASN 23 201.465 7.709 -5.487 198 HA PRO 24 HA PRO 24 195.584 11.558 -5.368 199 HB2 PRO 24 HB2 PRO 24 195.602 13.172 -7.833 200 HB3 PRO 24 HB1 PRO 24 194.621 13.361 -6.377 201 HG2 PRO 24 HG2 PRO 24 196.598 15.076 -6.979 202 HG3 PRO 24 HG1 PRO 24 196.219 14.633 -5.304 203 HD2 PRO 24 HD2 PRO 24 198.430 13.654 -7.072 204 HD3 PRO 24 HD1 PRO 24 198.467 14.074 -5.346 205 H ALA 25 HN ALA 25 197.953 11.427 -7.948 206 HA ALA 25 HA ALA 25 196.672 8.990 -8.951 207 HB1 ALA 25 HB1 ALA 25 195.884 10.243 -10.663 208 HB2 ALA 25 HB2 ALA 25 197.514 9.997 -11.289 209 HB3 ALA 25 HB3 ALA 25 197.107 11.496 -10.454 210 HA PRO 26 HA PRO 26 200.689 7.203 -9.050 211 HB2 PRO 26 HB2 PRO 26 200.686 5.943 -11.499 212 HB3 PRO 26 HB1 PRO 26 199.928 5.303 -10.040 213 HG2 PRO 26 HG2 PRO 26 198.696 6.782 -12.321 214 HG3 PRO 26 HG1 PRO 26 198.078 5.380 -11.427 215 HD2 PRO 26 HD2 PRO 26 197.151 7.851 -10.966 216 HD3 PRO 26 HD1 PRO 26 197.354 6.678 -9.647 217 H GLY 27 HN GLY 27 202.778 7.619 -9.749 218 HA2 GLY 27 HA2 GLY 27 204.325 8.301 -11.451 219 HA3 GLY 27 HA1 GLY 27 203.057 9.293 -12.151 220 H SER 28 HN SER 28 202.914 9.698 -8.835 221 HA SER 28 HA SER 28 203.960 12.342 -9.028 222 HB2 SER 28 HB2 SER 28 202.069 11.334 -7.482 223 HB3 SER 28 HB1 SER 28 203.421 11.050 -6.385 224 HG SER 28 HG SER 28 202.861 13.562 -7.575 225 H LYS 29 HN LYS 29 205.932 13.065 -8.603 226 HA LYS 29 HA LYS 29 208.020 11.213 -7.918 227 HB2 LYS 29 HB2 LYS 29 208.291 14.200 -8.214 228 HB3 LYS 29 HB1 LYS 29 209.526 12.973 -8.437 229 HG2 LYS 29 HG2 LYS 29 207.113 13.010 -10.195 230 HG3 LYS 29 HG1 LYS 29 208.467 14.098 -10.505 231 HD2 LYS 29 HD2 LYS 29 209.846 12.415 -11.152 232 HD3 LYS 29 HD1 LYS 29 209.132 11.254 -10.031 233 HE2 LYS 29 HE2 LYS 29 208.670 10.638 -12.346 234 HE3 LYS 29 HE1 LYS 29 207.183 11.039 -11.487 235 HZ1 LYS 29 HZ1 LYS 29 207.816 13.408 -12.520 236 HZ2 LYS 29 HZ2 LYS 29 206.821 12.287 -13.304 237 HZ3 LYS 29 HZ3 LYS 29 208.459 12.394 -13.713 238 H ILE 30 HN ILE 30 209.551 11.608 -6.173 239 HA ILE 30 HA ILE 30 208.235 12.892 -3.858 240 HB ILE 30 HB ILE 30 209.407 11.288 -2.415 241 HG12 ILE 30 HG12 ILE 30 210.207 9.937 -5.003 242 HG13 ILE 30 HG11 ILE 30 211.305 10.852 -3.973 243 HG21 ILE 30 HG21 ILE 30 207.114 10.932 -3.680 244 HG22 ILE 30 HG22 ILE 30 207.810 9.668 -2.666 245 HG23 ILE 30 HG23 ILE 30 208.000 9.597 -4.418 246 HD11 ILE 30 HD11 ILE 30 211.755 8.922 -2.982 247 HD12 ILE 30 HD12 ILE 30 210.380 8.126 -3.742 248 HD13 ILE 30 HD13 ILE 30 210.155 9.035 -2.249 249 H ILE 31 HN ILE 31 209.466 14.118 -2.425 250 HA ILE 31 HA ILE 31 212.308 14.459 -2.875 251 HB ILE 31 HB ILE 31 212.331 16.746 -3.414 252 HG12 ILE 31 HG12 ILE 31 210.339 17.306 -1.935 253 HG13 ILE 31 HG11 ILE 31 210.472 18.214 -3.433 254 HG21 ILE 31 HG21 ILE 31 210.173 15.508 -5.112 255 HG22 ILE 31 HG22 ILE 31 211.905 15.229 -5.297 256 HG23 ILE 31 HG23 ILE 31 211.237 16.838 -5.566 257 HD11 ILE 31 HD11 ILE 31 208.766 16.858 -4.452 258 HD12 ILE 31 HD12 ILE 31 208.177 17.520 -2.927 259 HD13 ILE 31 HD13 ILE 31 208.686 15.834 -3.019 260 H THR 32 HN THR 32 213.047 16.428 -1.403 261 HA THR 32 HA THR 32 211.817 15.894 1.214 262 HB THR 32 HB THR 32 213.859 16.263 2.219 263 HG1 THR 32 HG1 THR 32 214.491 18.226 1.610 264 HG21 THR 32 HG21 THR 32 215.174 14.723 1.318 265 HG22 THR 32 HG22 THR 32 215.368 15.640 -0.176 266 HG23 THR 32 HG23 THR 32 213.962 14.597 0.043 267 H TRP 33 HN TRP 33 211.311 17.605 2.653 268 HA TRP 33 HA TRP 33 211.558 20.344 1.792 269 HB2 TRP 33 HB2 TRP 33 209.534 19.346 0.566 270 HB3 TRP 33 HB1 TRP 33 208.756 19.286 2.144 271 HD1 TRP 33 HD1 TRP 33 207.206 21.279 2.474 272 HE1 TRP 33 HE1 TRP 33 207.201 23.759 1.788 273 HE3 TRP 33 HE3 TRP 33 211.600 21.409 -0.135 274 HZ2 TRP 33 HZ2 TRP 33 208.842 25.534 0.335 275 HZ3 TRP 33 HZ3 TRP 33 212.310 23.538 -1.143 276 HH2 TRP 33 HH2 TRP 33 210.958 25.557 -0.913 277 H ASP 34 HN ASP 34 210.239 21.795 3.399 278 HA ASP 34 HA ASP 34 211.141 21.142 6.013 279 HB2 ASP 34 HB2 ASP 34 209.156 23.304 5.307 280 HB3 ASP 34 HB1 ASP 34 210.253 23.257 6.683 281 H GLN 35 HN GLN 35 210.109 20.229 7.691 282 HA GLN 35 HA GLN 35 207.764 18.740 7.303 283 HB2 GLN 35 HB2 GLN 35 207.837 18.325 9.718 284 HB3 GLN 35 HB1 GLN 35 209.429 18.153 8.993 285 HG2 GLN 35 HG2 GLN 35 210.121 20.275 9.847 286 HG3 GLN 35 HG1 GLN 35 208.489 20.634 10.408 287 HE21 GLN 35 HE21 GLN 35 211.290 20.141 11.642 288 HE22 GLN 35 HE22 GLN 35 210.938 19.123 12.992 289 H LYS 36 HN LYS 36 205.661 18.993 8.096 290 HA LYS 36 HA LYS 36 204.920 21.775 8.726 291 HB2 LYS 36 HB2 LYS 36 203.569 19.683 7.051 292 HB3 LYS 36 HB1 LYS 36 202.625 20.970 7.791 293 HG2 LYS 36 HG2 LYS 36 203.128 21.667 5.592 294 HG3 LYS 36 HG1 LYS 36 204.165 22.606 6.668 295 HD2 LYS 36 HD2 LYS 36 205.968 21.871 5.595 296 HD3 LYS 36 HD1 LYS 36 205.530 20.204 5.971 297 HE2 LYS 36 HE2 LYS 36 205.699 20.322 3.618 298 HE3 LYS 36 HE1 LYS 36 203.975 20.297 3.983 299 HZ1 LYS 36 HZ1 LYS 36 204.935 22.005 2.296 300 HZ2 LYS 36 HZ2 LYS 36 205.335 22.884 3.685 301 HZ3 LYS 36 HZ3 LYS 36 203.722 22.477 3.378 302 H LYS 37 HN LYS 37 202.970 22.026 10.060 303 HA LYS 37 HA LYS 37 202.666 19.800 11.969 304 HB2 LYS 37 HB2 LYS 37 202.917 22.754 12.416 305 HB3 LYS 37 HB1 LYS 37 202.047 21.762 13.578 306 HG2 LYS 37 HG2 LYS 37 204.887 21.266 12.715 307 HG3 LYS 37 HG1 LYS 37 204.421 22.160 14.164 308 HD2 LYS 37 HD2 LYS 37 203.147 20.116 14.887 309 HD3 LYS 37 HD1 LYS 37 203.896 19.259 13.539 310 HE2 LYS 37 HE2 LYS 37 205.730 20.750 15.302 311 HE3 LYS 37 HE1 LYS 37 204.934 19.353 16.025 312 HZ1 LYS 37 HZ1 LYS 37 207.036 18.736 15.024 313 HZ2 LYS 37 HZ2 LYS 37 206.534 19.334 13.524 314 HZ3 LYS 37 HZ3 LYS 37 205.758 17.992 14.201 315 H GLY 38 HN GLY 38 200.756 18.881 11.554 316 HA2 GLY 38 HA2 GLY 38 198.331 19.709 12.237 317 HA3 GLY 38 HA1 GLY 38 198.503 20.521 10.689 318 HA PRO 39 HA PRO 39 196.870 16.118 10.150 319 HB2 PRO 39 HB2 PRO 39 194.442 17.371 9.106 320 HB3 PRO 39 HB1 PRO 39 194.617 16.170 10.388 321 HG2 PRO 39 HG2 PRO 39 193.886 18.725 10.884 322 HG3 PRO 39 HG1 PRO 39 194.836 17.763 12.032 323 HD2 PRO 39 HD2 PRO 39 195.756 19.866 10.105 324 HD3 PRO 39 HD1 PRO 39 196.250 19.588 11.790 325 H THR 40 HN THR 40 197.579 18.843 8.308 326 HA THR 40 HA THR 40 197.061 17.444 5.778 327 HB THR 40 HB THR 40 197.719 19.823 4.873 328 HG1 THR 40 HG1 THR 40 197.080 21.440 6.370 329 HG21 THR 40 HG21 THR 40 195.120 19.020 6.095 330 HG22 THR 40 HG22 THR 40 195.553 19.208 4.395 331 HG23 THR 40 HG23 THR 40 195.327 20.632 5.410 332 H ALA 41 HN ALA 41 199.279 16.834 7.601 333 HA ALA 41 HA ALA 41 201.521 17.492 5.802 334 HB1 ALA 41 HB1 ALA 41 201.465 17.291 8.795 335 HB2 ALA 41 HB2 ALA 41 202.012 18.631 7.788 336 HB3 ALA 41 HB3 ALA 41 202.964 17.149 7.877 337 H VAL 42 HN VAL 42 199.517 15.076 6.533 338 HA VAL 42 HA VAL 42 201.132 12.874 7.195 339 HB VAL 42 HB VAL 42 198.826 12.484 5.336 340 HG11 VAL 42 HG11 VAL 42 199.230 11.071 7.926 341 HG12 VAL 42 HG12 VAL 42 200.328 10.720 6.590 342 HG13 VAL 42 HG13 VAL 42 198.593 10.465 6.397 343 HG21 VAL 42 HG21 VAL 42 197.491 12.563 7.648 344 HG22 VAL 42 HG22 VAL 42 197.627 13.959 6.579 345 HG23 VAL 42 HG23 VAL 42 198.690 13.813 7.978 346 H ASN 43 HN ASN 43 200.953 14.708 4.302 347 HA ASN 43 HA ASN 43 201.715 12.752 2.421 348 HB2 ASN 43 HB2 ASN 43 200.934 15.283 2.156 349 HB3 ASN 43 HB1 ASN 43 202.674 15.555 2.097 350 HD21 ASN 43 HD21 ASN 43 200.553 12.999 0.849 351 HD22 ASN 43 HD22 ASN 43 201.095 13.112 -0.787 352 H GLN 44 HN GLN 44 203.385 13.995 5.056 353 HA GLN 44 HA GLN 44 206.000 13.307 3.900 354 HB2 GLN 44 HB2 GLN 44 205.179 15.158 6.133 355 HB3 GLN 44 HB1 GLN 44 206.815 14.535 6.024 356 HG2 GLN 44 HG2 GLN 44 207.370 15.995 4.452 357 HG3 GLN 44 HG1 GLN 44 205.927 15.632 3.507 358 HE21 GLN 44 HE21 GLN 44 203.863 16.498 4.712 359 HE22 GLN 44 HE22 GLN 44 203.965 18.157 5.183 360 H LEU 45 HN LEU 45 203.584 11.952 5.360 361 HA LEU 45 HA LEU 45 205.211 10.377 7.215 362 HB2 LEU 45 HB2 LEU 45 202.338 11.212 7.395 363 HB3 LEU 45 HB1 LEU 45 202.990 9.932 8.358 364 HG LEU 45 HG LEU 45 204.746 12.081 8.719 365 HD11 LEU 45 HD11 LEU 45 201.904 12.982 9.097 366 HD12 LEU 45 HD12 LEU 45 202.924 13.462 7.743 367 HD13 LEU 45 HD13 LEU 45 203.378 13.906 9.386 368 HD21 LEU 45 HD21 LEU 45 203.578 10.200 10.249 369 HD22 LEU 45 HD22 LEU 45 202.654 11.618 10.746 370 HD23 LEU 45 HD23 LEU 45 204.411 11.611 10.903 371 H TRP 46 HN TRP 46 204.941 8.175 7.257 372 HA TRP 46 HA TRP 46 203.252 7.010 5.153 373 HB2 TRP 46 HB2 TRP 46 206.144 6.377 5.729 374 HB3 TRP 46 HB1 TRP 46 205.110 5.443 4.659 375 HD1 TRP 46 HD1 TRP 46 206.051 9.211 4.950 376 HE1 TRP 46 HE1 TRP 46 206.508 10.091 2.574 377 HE3 TRP 46 HE3 TRP 46 205.147 4.928 2.303 378 HZ2 TRP 46 HZ2 TRP 46 206.487 9.103 -0.069 379 HZ3 TRP 46 HZ3 TRP 46 205.385 4.983 -0.146 380 HH2 TRP 46 HH2 TRP 46 206.040 7.029 -1.305 381 H TYR 47 HN TYR 47 203.165 4.570 5.387 382 HA TYR 47 HA TYR 47 203.309 3.737 8.183 383 HB2 TYR 47 HB2 TYR 47 201.091 2.997 8.302 384 HB3 TYR 47 HB1 TYR 47 200.967 4.553 7.498 385 HD1 TYR 47 HD2 TYR 47 201.249 0.913 6.690 386 HD2 TYR 47 HD1 TYR 47 199.679 4.711 5.591 387 HE1 TYR 47 HE2 TYR 47 199.976 -0.146 4.873 388 HE2 TYR 47 HE1 TYR 47 198.396 3.662 3.776 389 HH TYR 47 HH TYR 47 197.520 1.504 3.149 390 H THR 48 HN THR 48 203.198 1.336 8.416 391 HA THR 48 HA THR 48 204.400 0.058 6.056 392 HB THR 48 HB THR 48 205.293 -1.600 7.738 393 HG1 THR 48 HG1 THR 48 204.065 -1.328 9.507 394 HG21 THR 48 HG21 THR 48 206.860 0.143 8.860 395 HG22 THR 48 HG22 THR 48 206.090 1.268 7.741 396 HG23 THR 48 HG23 THR 48 206.949 -0.142 7.122 397 H ASP 49 HN ASP 49 203.507 -1.710 5.147 398 HA ASP 49 HA ASP 49 200.849 -2.428 5.965 399 HB2 ASP 49 HB2 ASP 49 202.658 -3.213 3.713 400 HB3 ASP 49 HB1 ASP 49 201.241 -4.198 4.060 401 H GLN 50 HN GLN 50 200.253 -4.828 6.005 402 HA GLN 50 HA GLN 50 201.458 -6.013 8.254 403 HB2 GLN 50 HB2 GLN 50 199.694 -7.340 6.188 404 HB3 GLN 50 HB1 GLN 50 199.997 -7.913 7.823 405 HG2 GLN 50 HG2 GLN 50 199.056 -5.526 8.448 406 HG3 GLN 50 HG1 GLN 50 198.279 -5.692 6.875 407 HE21 GLN 50 HE21 GLN 50 198.376 -6.758 10.144 408 HE22 GLN 50 HE22 GLN 50 196.989 -7.787 10.080 409 H GLN 51 HN GLN 51 202.200 -6.190 4.891 410 HA GLN 51 HA GLN 51 203.856 -8.572 5.264 411 HB2 GLN 51 HB2 GLN 51 202.263 -8.089 3.237 412 HB3 GLN 51 HB1 GLN 51 203.610 -7.118 2.659 413 HG2 GLN 51 HG2 GLN 51 205.021 -8.971 2.478 414 HG3 GLN 51 HG1 GLN 51 203.977 -9.973 3.485 415 HE21 GLN 51 HE21 GLN 51 204.324 -8.456 0.348 416 HE22 GLN 51 HE22 GLN 51 203.217 -9.486 -0.486 417 H GLY 52 HN GLY 52 204.184 -5.310 5.651 418 HA2 GLY 52 HA2 GLY 52 206.266 -4.372 6.330 419 HA3 GLY 52 HA1 GLY 52 207.088 -5.509 5.274 420 H VAL 53 HN VAL 53 204.453 -4.239 3.638 421 HA VAL 53 HA VAL 53 206.200 -2.557 2.050 422 HB VAL 53 HB VAL 53 203.273 -3.154 1.609 423 HG11 VAL 53 HG11 VAL 53 203.460 -2.169 -0.432 424 HG12 VAL 53 HG12 VAL 53 205.174 -2.555 -0.586 425 HG13 VAL 53 HG13 VAL 53 204.660 -1.218 0.443 426 HG21 VAL 53 HG21 VAL 53 204.182 -5.277 1.521 427 HG22 VAL 53 HG22 VAL 53 205.732 -4.701 0.906 428 HG23 VAL 53 HG23 VAL 53 204.325 -4.752 -0.156 429 H ILE 54 HN ILE 54 206.425 -0.477 2.515 430 HA ILE 54 HA ILE 54 204.588 0.866 4.250 431 HB ILE 54 HB ILE 54 206.080 2.905 3.591 432 HG12 ILE 54 HG12 ILE 54 208.245 0.949 3.154 433 HG13 ILE 54 HG11 ILE 54 207.138 1.158 1.800 434 HG21 ILE 54 HG21 ILE 54 207.326 0.680 5.177 435 HG22 ILE 54 HG22 ILE 54 205.976 1.653 5.761 436 HG23 ILE 54 HG23 ILE 54 207.523 2.419 5.399 437 HD11 ILE 54 HD11 ILE 54 209.283 2.623 2.014 438 HD12 ILE 54 HD12 ILE 54 208.281 3.567 3.117 439 HD13 ILE 54 HD13 ILE 54 207.770 3.327 1.446 440 H ARG 55 HN ARG 55 203.404 2.712 3.809 441 HA ARG 55 HA ARG 55 203.036 3.546 1.050 442 HB2 ARG 55 HB2 ARG 55 200.561 2.887 2.605 443 HB3 ARG 55 HB1 ARG 55 200.765 3.057 0.873 444 HG2 ARG 55 HG2 ARG 55 202.020 0.798 2.391 445 HG3 ARG 55 HG1 ARG 55 200.363 0.721 1.793 446 HD2 ARG 55 HD2 ARG 55 202.548 1.518 -0.072 447 HD3 ARG 55 HD1 ARG 55 202.355 -0.183 0.346 448 HE ARG 55 HE ARG 55 200.714 1.339 -1.407 449 HH11 ARG 55 HH11 ARG 55 200.621 -1.256 0.925 450 HH12 ARG 55 HH12 ARG 55 199.226 -2.004 0.224 451 HH21 ARG 55 HH21 ARG 55 198.880 0.356 -2.331 452 HH22 ARG 55 HH22 ARG 55 198.238 -1.090 -1.626 453 H SER 56 HN SER 56 202.655 5.685 0.930 454 HA SER 56 HA SER 56 202.892 7.263 3.259 455 HB2 SER 56 HB2 SER 56 201.879 8.905 1.203 456 HB3 SER 56 HB1 SER 56 203.562 8.708 1.690 457 HG SER 56 HG SER 56 203.233 8.240 -0.531 458 H LYS 57 HN LYS 57 201.306 9.295 3.322 459 HA LYS 57 HA LYS 57 199.057 8.571 4.688 460 HB2 LYS 57 HB2 LYS 57 198.261 10.822 4.407 461 HB3 LYS 57 HB1 LYS 57 200.008 10.851 4.580 462 HG2 LYS 57 HG2 LYS 57 199.878 12.241 2.830 463 HG3 LYS 57 HG1 LYS 57 199.833 10.732 1.916 464 HD2 LYS 57 HD2 LYS 57 198.050 11.946 1.036 465 HD3 LYS 57 HD1 LYS 57 197.277 10.885 2.215 466 HE2 LYS 57 HE2 LYS 57 197.951 13.121 3.692 467 HE3 LYS 57 HE1 LYS 57 197.440 13.787 2.142 468 HZ1 LYS 57 HZ1 LYS 57 195.444 13.636 3.187 469 HZ2 LYS 57 HZ2 LYS 57 195.890 12.305 4.130 470 HZ3 LYS 57 HZ3 LYS 57 195.485 12.089 2.502 471 H LEU 58 HN LEU 58 199.517 8.567 1.270 472 HA LEU 58 HA LEU 58 197.009 8.897 0.227 473 HB2 LEU 58 HB2 LEU 58 199.112 6.892 -0.564 474 HB3 LEU 58 HB1 LEU 58 197.696 7.252 -1.533 475 HG LEU 58 HG LEU 58 199.287 8.566 -2.555 476 HD11 LEU 58 HD11 LEU 58 197.404 9.979 -1.879 477 HD12 LEU 58 HD12 LEU 58 198.913 10.890 -1.944 478 HD13 LEU 58 HD13 LEU 58 198.251 10.390 -0.388 479 HD21 LEU 58 HD21 LEU 58 201.251 9.227 -1.668 480 HD22 LEU 58 HD22 LEU 58 200.837 8.057 -0.415 481 HD23 LEU 58 HD23 LEU 58 200.512 9.772 -0.163 482 H ASN 59 HN ASN 59 198.096 6.318 2.252 483 HA ASN 59 HA ASN 59 196.835 4.805 3.421 484 HB2 ASN 59 HB2 ASN 59 194.532 5.222 1.521 485 HB3 ASN 59 HB1 ASN 59 194.493 4.567 3.155 486 HD21 ASN 59 HD21 ASN 59 193.531 7.095 1.500 487 HD22 ASN 59 HD22 ASN 59 193.701 8.356 2.669 488 H ASP 60 HN ASP 60 197.651 4.709 0.163 489 HA ASP 60 HA ASP 60 198.156 1.955 0.200 490 HB2 ASP 60 HB2 ASP 60 195.477 2.734 -0.715 491 HB3 ASP 60 HB1 ASP 60 196.348 1.713 -1.855 492 H PHE 61 HN PHE 61 199.823 3.881 -0.462 493 HA PHE 61 HA PHE 61 200.238 3.435 -3.316 494 HB2 PHE 61 HB2 PHE 61 200.025 6.110 -1.982 495 HB3 PHE 61 HB1 PHE 61 201.090 5.907 -3.367 496 HD1 PHE 61 HD2 PHE 61 197.579 5.287 -2.296 497 HD2 PHE 61 HD1 PHE 61 200.244 6.159 -5.497 498 HE1 PHE 61 HE2 PHE 61 195.661 5.575 -3.810 499 HE2 PHE 61 HE1 PHE 61 198.330 6.450 -7.016 500 HZ PHE 61 HZ PHE 61 196.035 6.157 -6.173 501 H ALA 62 HN ALA 62 202.056 2.335 -3.330 502 HA ALA 62 HA ALA 62 204.183 2.975 -1.424 503 HB1 ALA 62 HB1 ALA 62 203.668 0.603 -3.195 504 HB2 ALA 62 HB2 ALA 62 203.728 0.668 -1.434 505 HB3 ALA 62 HB3 ALA 62 205.210 0.847 -2.373 506 H ILE 63 HN ILE 63 206.321 3.368 -2.100 507 HA ILE 63 HA ILE 63 206.506 4.865 -4.554 508 HB ILE 63 HB ILE 63 209.026 4.218 -3.155 509 HG12 ILE 63 HG12 ILE 63 208.008 6.316 -1.609 510 HG13 ILE 63 HG11 ILE 63 206.720 5.118 -1.634 511 HG21 ILE 63 HG21 ILE 63 207.753 6.796 -4.054 512 HG22 ILE 63 HG22 ILE 63 208.914 5.830 -4.964 513 HG23 ILE 63 HG23 ILE 63 209.402 6.609 -3.462 514 HD11 ILE 63 HD11 ILE 63 208.388 4.949 0.248 515 HD12 ILE 63 HD12 ILE 63 209.561 4.428 -0.962 516 HD13 ILE 63 HD13 ILE 63 208.106 3.473 -0.675 517 H ASP 64 HN ASP 64 207.909 4.413 -6.322 518 HA ASP 64 HA ASP 64 208.881 1.645 -6.426 519 HB2 ASP 64 HB2 ASP 64 208.050 1.325 -8.642 520 HB3 ASP 64 HB1 ASP 64 206.719 1.903 -7.648 521 H ALA 65 HN ALA 65 210.859 1.372 -7.157 522 HA ALA 65 HA ALA 65 212.308 3.743 -8.117 523 HB1 ALA 65 HB1 ALA 65 213.677 2.957 -6.511 524 HB2 ALA 65 HB2 ALA 65 214.266 1.929 -7.817 525 HB3 ALA 65 HB3 ALA 65 213.089 1.303 -6.663 526 H SER 66 HN SER 66 210.578 2.656 -9.971 527 HA SER 66 HA SER 66 211.918 0.836 -11.722 528 HB2 SER 66 HB2 SER 66 209.351 2.291 -11.691 529 HB3 SER 66 HB1 SER 66 210.003 1.956 -13.295 530 HG SER 66 HG SER 66 210.177 -0.260 -12.622 531 H HIS 67 HN HIS 67 211.329 4.328 -11.758 532 HA HIS 67 HA HIS 67 213.050 4.612 -14.102 533 HB2 HIS 67 HB2 HIS 67 211.219 6.527 -12.660 534 HB3 HIS 67 HB1 HIS 67 212.286 7.020 -13.964 535 HD1 HIS 67 HD1 HIS 67 209.391 4.654 -13.349 536 HD2 HIS 67 HD2 HIS 67 211.256 6.673 -16.465 537 HE1 HIS 67 HE1 HIS 67 207.941 4.264 -15.366 538 HE2 HIS 67 HE2 HIS 67 209.144 5.411 -17.260 539 H GLU 68 HN GLU 68 214.475 6.675 -14.020 540 HA GLU 68 HA GLU 68 216.592 6.300 -12.336 541 HB2 GLU 68 HB2 GLU 68 215.753 9.020 -13.337 542 HB3 GLU 68 HB1 GLU 68 217.384 8.468 -12.977 543 HG2 GLU 68 HG2 GLU 68 217.027 6.752 -14.827 544 HG3 GLU 68 HG1 GLU 68 215.623 7.716 -15.282 545 H GLN 69 HN GLN 69 213.922 8.591 -11.861 546 HA GLN 69 HA GLN 69 214.802 9.030 -9.109 547 HB2 GLN 69 HB2 GLN 69 212.473 10.451 -10.331 548 HB3 GLN 69 HB1 GLN 69 213.631 11.022 -9.145 549 HG2 GLN 69 HG2 GLN 69 215.306 11.332 -10.814 550 HG3 GLN 69 HG1 GLN 69 214.301 10.550 -12.033 551 HE21 GLN 69 HE21 GLN 69 212.696 11.691 -13.025 552 HE22 GLN 69 HE22 GLN 69 212.462 13.389 -12.813 553 H ILE 70 HN ILE 70 213.406 8.638 -7.350 554 HA ILE 70 HA ILE 70 211.596 6.460 -7.787 555 HB ILE 70 HB ILE 70 211.679 7.841 -5.145 556 HG12 ILE 70 HG12 ILE 70 214.021 7.824 -5.823 557 HG13 ILE 70 HG11 ILE 70 213.747 6.616 -4.576 558 HG21 ILE 70 HG21 ILE 70 211.010 5.835 -4.351 559 HG22 ILE 70 HG22 ILE 70 212.045 4.935 -5.460 560 HG23 ILE 70 HG23 ILE 70 210.503 5.580 -6.021 561 HD11 ILE 70 HD11 ILE 70 214.775 5.179 -5.911 562 HD12 ILE 70 HD12 ILE 70 214.720 6.297 -7.274 563 HD13 ILE 70 HD13 ILE 70 213.346 5.243 -6.942 564 H GLU 71 HN GLU 71 209.449 6.374 -7.621 565 HA GLU 71 HA GLU 71 207.964 8.890 -7.268 566 HB2 GLU 71 HB2 GLU 71 207.552 6.879 -9.484 567 HB3 GLU 71 HB1 GLU 71 206.467 8.218 -9.138 568 HG2 GLU 71 HG2 GLU 71 207.826 9.741 -10.070 569 HG3 GLU 71 HG1 GLU 71 209.291 8.933 -9.516 570 H THR 72 HN THR 72 205.603 8.515 -7.000 571 HA THR 72 HA THR 72 205.139 6.093 -5.396 572 HB THR 72 HB THR 72 203.336 7.501 -4.299 573 HG1 THR 72 HG1 THR 72 203.282 9.625 -4.686 574 HG21 THR 72 HG21 THR 72 205.594 7.135 -3.285 575 HG22 THR 72 HG22 THR 72 204.783 8.622 -2.795 576 HG23 THR 72 HG23 THR 72 206.081 8.677 -3.987 577 H GLN 73 HN GLN 73 203.400 4.817 -5.834 578 HA GLN 73 HA GLN 73 201.178 5.686 -7.402 579 HB2 GLN 73 HB2 GLN 73 202.106 3.451 -8.908 580 HB3 GLN 73 HB1 GLN 73 201.798 5.086 -9.464 581 HG2 GLN 73 HG2 GLN 73 204.119 5.680 -8.777 582 HG3 GLN 73 HG1 GLN 73 204.394 3.976 -8.425 583 HE21 GLN 73 HE21 GLN 73 202.830 2.997 -10.635 584 HE22 GLN 73 HE22 GLN 73 203.732 3.322 -12.071 585 HA PRO 74 HA PRO 74 199.003 2.380 -5.465 586 HB2 PRO 74 HB2 PRO 74 198.384 1.212 -8.138 587 HB3 PRO 74 HB1 PRO 74 197.291 1.633 -6.814 588 HG2 PRO 74 HG2 PRO 74 197.448 3.179 -8.969 589 HG3 PRO 74 HG1 PRO 74 197.297 3.893 -7.352 590 HD2 PRO 74 HD2 PRO 74 199.702 3.668 -9.110 591 HD3 PRO 74 HD1 PRO 74 199.219 4.986 -8.021 592 H PHE 75 HN PHE 75 199.495 0.404 -4.632 593 HA PHE 75 HA PHE 75 201.938 -0.811 -5.246 594 HB2 PHE 75 HB2 PHE 75 200.692 -0.945 -3.064 595 HB3 PHE 75 HB1 PHE 75 199.613 -2.111 -3.821 596 HD1 PHE 75 HD1 PHE 75 203.289 -1.559 -3.457 597 HD2 PHE 75 HD2 PHE 75 200.046 -4.314 -3.396 598 HE1 PHE 75 HE1 PHE 75 204.845 -3.372 -2.868 599 HE2 PHE 75 HE2 PHE 75 201.596 -6.132 -2.807 600 HZ PHE 75 HZ PHE 75 203.999 -5.662 -2.541 601 H ASP 76 HN ASP 76 202.538 -2.384 -6.602 602 HA ASP 76 HA ASP 76 200.433 -3.829 -8.069 603 HB2 ASP 76 HB2 ASP 76 201.564 -2.113 -9.475 604 HB3 ASP 76 HB1 ASP 76 203.095 -2.933 -9.193 605 HA PRO 77 HA PRO 77 202.494 -7.397 -6.407 606 HB2 PRO 77 HB2 PRO 77 201.314 -9.291 -7.956 607 HB3 PRO 77 HB1 PRO 77 200.497 -8.501 -6.603 608 HG2 PRO 77 HG2 PRO 77 200.314 -7.909 -9.532 609 HG3 PRO 77 HG1 PRO 77 199.016 -8.000 -8.326 610 HD2 PRO 77 HD2 PRO 77 200.034 -5.647 -9.172 611 HD3 PRO 77 HD1 PRO 77 199.454 -5.885 -7.511 612 H ASN 78 HN ASN 78 202.388 -6.875 -9.908 613 HA ASN 78 HA ASN 78 204.595 -8.699 -10.341 614 HB2 ASN 78 HB2 ASN 78 202.735 -7.148 -12.073 615 HB3 ASN 78 HB1 ASN 78 204.299 -7.595 -12.747 616 HD21 ASN 78 HD21 ASN 78 204.825 -9.804 -12.938 617 HD22 ASN 78 HD22 ASN 78 203.592 -11.013 -12.988 618 H ASN 79 HN ASN 79 204.484 -5.639 -9.172 619 HA ASN 79 HA ASN 79 206.885 -4.770 -10.624 620 HB2 ASN 79 HB2 ASN 79 204.996 -3.197 -8.866 621 HB3 ASN 79 HB1 ASN 79 206.422 -2.536 -9.659 622 HD21 ASN 79 HD21 ASN 79 205.271 -1.080 -10.880 623 HD22 ASN 79 HD22 ASN 79 204.258 -1.555 -12.196 624 HA PRO 80 HA PRO 80 208.874 -6.018 -6.738 625 HB2 PRO 80 HB2 PRO 80 211.356 -6.094 -8.210 626 HB3 PRO 80 HB1 PRO 80 210.428 -7.441 -7.549 627 HG2 PRO 80 HG2 PRO 80 210.741 -6.962 -10.230 628 HG3 PRO 80 HG1 PRO 80 209.376 -7.849 -9.531 629 HD2 PRO 80 HD2 PRO 80 209.522 -5.004 -10.447 630 HD3 PRO 80 HD1 PRO 80 208.204 -6.182 -10.625 631 H LYS 81 HN LYS 81 208.618 -3.170 -7.985 632 HA LYS 81 HA LYS 81 210.931 -2.018 -6.590 633 HB2 LYS 81 HB2 LYS 81 209.552 -1.253 -9.134 634 HB3 LYS 81 HB1 LYS 81 210.338 -0.016 -8.176 635 HG2 LYS 81 HG2 LYS 81 211.613 -2.439 -9.413 636 HG3 LYS 81 HG1 LYS 81 211.859 -0.750 -9.861 637 HD2 LYS 81 HD2 LYS 81 212.646 -0.461 -7.418 638 HD3 LYS 81 HD1 LYS 81 212.804 -2.218 -7.426 639 HE2 LYS 81 HE2 LYS 81 213.986 -0.917 -9.762 640 HE3 LYS 81 HE1 LYS 81 214.726 -0.436 -8.235 641 HZ1 LYS 81 HZ1 LYS 81 214.261 -3.282 -8.573 642 HZ2 LYS 81 HZ2 LYS 81 215.592 -2.472 -7.914 643 HZ3 LYS 81 HZ3 LYS 81 215.432 -2.609 -9.592 644 H ARG 82 HN ARG 82 207.522 -2.231 -6.826 645 HA ARG 82 HA ARG 82 206.983 0.248 -5.430 646 HB2 ARG 82 HB2 ARG 82 205.321 -1.904 -6.663 647 HB3 ARG 82 HB1 ARG 82 204.591 -0.804 -5.502 648 HG2 ARG 82 HG2 ARG 82 205.146 1.090 -6.872 649 HG3 ARG 82 HG1 ARG 82 206.030 0.059 -8.000 650 HD2 ARG 82 HD2 ARG 82 203.705 -1.200 -8.085 651 HD3 ARG 82 HD1 ARG 82 203.108 0.385 -7.599 652 HE ARG 82 HE ARG 82 204.896 0.535 -9.821 653 HH11 ARG 82 HH11 ARG 82 201.594 -0.130 -8.906 654 HH12 ARG 82 HH12 ARG 82 200.949 0.284 -10.458 655 HH21 ARG 82 HH21 ARG 82 204.048 1.077 -11.865 656 HH22 ARG 82 HH22 ARG 82 202.341 0.967 -12.139 657 H ALA 83 HN ALA 83 208.420 -2.159 -4.171 658 HA ALA 83 HA ALA 83 206.737 -2.222 -1.755 659 HB1 ALA 83 HB1 ALA 83 206.551 -4.430 -1.805 660 HB2 ALA 83 HB2 ALA 83 208.303 -4.609 -1.901 661 HB3 ALA 83 HB3 ALA 83 207.351 -4.437 -3.376 662 H TRP 84 HN TRP 84 207.877 -0.784 -0.562 663 HA TRP 84 HA TRP 84 210.759 -1.276 -0.260 664 HB2 TRP 84 HB2 TRP 84 209.130 1.209 0.285 665 HB3 TRP 84 HB1 TRP 84 210.862 1.057 0.576 666 HD1 TRP 84 HD1 TRP 84 208.387 0.818 -2.403 667 HE1 TRP 84 HE1 TRP 84 209.625 1.596 -4.522 668 HE3 TRP 84 HE3 TRP 84 213.021 1.566 -0.397 669 HZ2 TRP 84 HZ2 TRP 84 212.216 2.436 -5.233 670 HZ3 TRP 84 HZ3 TRP 84 214.825 2.354 -1.861 671 HH2 TRP 84 HH2 TRP 84 214.432 2.781 -4.236 672 H ILE 85 HN ILE 85 211.636 -1.768 1.631 673 HA ILE 85 HA ILE 85 209.836 -1.969 3.962 674 HB ILE 85 HB ILE 85 211.303 -3.731 4.817 675 HG12 ILE 85 HG12 ILE 85 212.793 -4.498 2.558 676 HG13 ILE 85 HG11 ILE 85 213.051 -2.764 2.726 677 HG21 ILE 85 HG21 ILE 85 209.646 -4.829 3.751 678 HG22 ILE 85 HG22 ILE 85 210.948 -5.292 2.655 679 HG23 ILE 85 HG23 ILE 85 209.885 -3.946 2.243 680 HD11 ILE 85 HD11 ILE 85 213.543 -3.300 5.192 681 HD12 ILE 85 HD12 ILE 85 214.759 -3.692 3.976 682 HD13 ILE 85 HD13 ILE 85 213.725 -4.962 4.631 683 H VAL 86 HN VAL 86 210.748 -1.476 6.071 684 HA VAL 86 HA VAL 86 212.842 0.565 5.865 685 HB VAL 86 HB VAL 86 211.055 0.095 8.243 686 HG11 VAL 86 HG11 VAL 86 212.601 1.531 9.045 687 HG12 VAL 86 HG12 VAL 86 211.606 2.726 8.214 688 HG13 VAL 86 HG13 VAL 86 213.063 2.100 7.441 689 HG21 VAL 86 HG21 VAL 86 210.552 1.941 5.910 690 HG22 VAL 86 HG22 VAL 86 209.601 1.868 7.393 691 HG23 VAL 86 HG23 VAL 86 209.632 0.487 6.297 692 H SER 87 HN SER 87 214.779 0.261 6.724 693 HA SER 87 HA SER 87 215.142 -1.962 8.625 694 HB2 SER 87 HB2 SER 87 216.106 -2.330 6.299 695 HB3 SER 87 HB1 SER 87 217.231 -1.019 6.654 696 HG SER 87 HG SER 87 217.348 -3.593 7.406 697 H GLY 88 HN GLY 88 215.084 -0.732 10.484 698 HA2 GLY 88 HA2 GLY 88 216.036 0.509 12.170 699 HA3 GLY 88 HA1 GLY 88 217.485 0.628 11.184 700 H ASN 89 HN ASN 89 217.893 2.453 10.066 701 HA ASN 89 HA ASN 89 215.893 4.606 10.262 702 HB2 ASN 89 HB2 ASN 89 217.718 6.176 10.550 703 HB3 ASN 89 HB1 ASN 89 217.863 4.903 11.756 704 HD21 ASN 89 HD21 ASN 89 218.998 5.796 8.511 705 HD22 ASN 89 HD22 ASN 89 220.572 5.112 8.687 706 H THR 90 HN THR 90 216.345 2.685 8.059 707 HA THR 90 HA THR 90 216.735 4.668 5.968 708 HB THR 90 HB THR 90 218.125 2.675 4.846 709 HG1 THR 90 HG1 THR 90 217.972 1.502 6.892 710 HG21 THR 90 HG21 THR 90 218.808 5.146 6.107 711 HG22 THR 90 HG22 THR 90 219.568 4.341 4.733 712 HG23 THR 90 HG23 THR 90 220.080 3.954 6.376 713 H ILE 91 HN ILE 91 215.779 4.218 4.040 714 HA ILE 91 HA ILE 91 213.758 2.094 4.077 715 HB ILE 91 HB ILE 91 214.073 4.236 1.972 716 HG12 ILE 91 HG12 ILE 91 213.888 5.349 4.143 717 HG13 ILE 91 HG11 ILE 91 212.401 5.552 3.221 718 HG21 ILE 91 HG21 ILE 91 212.567 2.740 1.121 719 HG22 ILE 91 HG22 ILE 91 211.476 3.781 2.035 720 HG23 ILE 91 HG23 ILE 91 211.996 2.238 2.712 721 HD11 ILE 91 HD11 ILE 91 212.618 4.687 5.828 722 HD12 ILE 91 HD12 ILE 91 212.313 3.209 4.916 723 HD13 ILE 91 HD13 ILE 91 211.193 4.565 4.797 724 H ALA 92 HN ALA 92 214.169 0.227 3.059 725 HA ALA 92 HA ALA 92 216.124 0.284 0.849 726 HB1 ALA 92 HB1 ALA 92 216.566 -0.936 3.201 727 HB2 ALA 92 HB2 ALA 92 217.245 -1.496 1.673 728 HB3 ALA 92 HB3 ALA 92 215.791 -2.253 2.322 729 H GLN 93 HN GLN 93 215.766 -0.970 -0.945 730 HA GLN 93 HA GLN 93 213.099 -1.484 -1.700 731 HB2 GLN 93 HB2 GLN 93 215.309 -1.038 -3.072 732 HB3 GLN 93 HB1 GLN 93 215.403 -2.791 -3.083 733 HG2 GLN 93 HG2 GLN 93 214.153 -2.686 -4.910 734 HG3 GLN 93 HG1 GLN 93 212.810 -2.339 -3.821 735 HE21 GLN 93 HE21 GLN 93 215.539 -0.270 -4.682 736 HE22 GLN 93 HE22 GLN 93 214.593 0.979 -5.405 737 H LEU 94 HN LEU 94 212.033 -3.430 -2.109 738 HA LEU 94 HA LEU 94 212.400 -5.465 -0.212 739 HB2 LEU 94 HB2 LEU 94 210.578 -6.601 -1.219 740 HB3 LEU 94 HB1 LEU 94 210.231 -4.891 -1.294 741 HG LEU 94 HG LEU 94 211.269 -6.496 -3.633 742 HD11 LEU 94 HD11 LEU 94 209.243 -7.336 -3.872 743 HD12 LEU 94 HD12 LEU 94 208.629 -5.699 -4.092 744 HD13 LEU 94 HD13 LEU 94 208.650 -6.423 -2.485 745 HD21 LEU 94 HD21 LEU 94 211.695 -4.410 -4.386 746 HD22 LEU 94 HD22 LEU 94 210.634 -3.658 -3.203 747 HD23 LEU 94 HD23 LEU 94 209.956 -4.361 -4.663 748 H SER 95 HN SER 95 212.873 -5.671 -3.761 749 HA SER 95 HA SER 95 214.129 -8.221 -3.561 750 HB2 SER 95 HB2 SER 95 212.893 -6.855 -5.579 751 HB3 SER 95 HB1 SER 95 214.589 -6.704 -6.038 752 HG SER 95 HG SER 95 213.211 -9.120 -5.466 753 H ASP 96 HN ASP 96 215.315 -5.213 -2.819 754 HA ASP 96 HA ASP 96 218.053 -6.172 -3.159 755 HB2 ASP 96 HB2 ASP 96 216.910 -3.617 -4.225 756 HB3 ASP 96 HB1 ASP 96 218.590 -3.660 -3.697 757 H ARG 97 HN ARG 97 218.097 -6.577 -0.927 758 HA ARG 97 HA ARG 97 217.425 -4.588 0.998 759 HB2 ARG 97 HB2 ARG 97 218.654 -7.285 1.027 760 HB3 ARG 97 HB1 ARG 97 219.070 -6.232 2.371 761 HG2 ARG 97 HG2 ARG 97 217.173 -7.636 2.925 762 HG3 ARG 97 HG1 ARG 97 216.700 -5.937 2.879 763 HD2 ARG 97 HD2 ARG 97 215.154 -6.368 1.346 764 HD3 ARG 97 HD1 ARG 97 216.363 -7.084 0.280 765 HE ARG 97 HE ARG 97 214.500 -8.473 1.982 766 HH11 ARG 97 HH11 ARG 97 217.526 -8.689 0.254 767 HH12 ARG 97 HH12 ARG 97 217.487 -10.416 0.152 768 HH21 ARG 97 HH21 ARG 97 214.448 -10.744 1.847 769 HH22 ARG 97 HH22 ARG 97 215.741 -11.583 1.056 770 H ASP 98 HN ASP 98 220.090 -5.091 -1.054 771 HA ASP 98 HA ASP 98 221.978 -3.671 0.640 772 HB2 ASP 98 HB2 ASP 98 222.211 -4.909 -2.104 773 HB3 ASP 98 HB1 ASP 98 223.514 -3.998 -1.348 774 H ILE 99 HN ILE 99 219.454 -2.565 -0.873 775 HA ILE 99 HA ILE 99 220.811 -0.125 -1.762 776 HB ILE 99 HB ILE 99 219.876 -1.642 -3.665 777 HG12 ILE 99 HG12 ILE 99 219.170 1.290 -3.489 778 HG13 ILE 99 HG11 ILE 99 220.737 0.634 -3.953 779 HG21 ILE 99 HG21 ILE 99 217.581 -1.592 -2.295 780 HG22 ILE 99 HG22 ILE 99 217.650 -1.773 -4.046 781 HG23 ILE 99 HG23 ILE 99 217.322 -0.194 -3.335 782 HD11 ILE 99 HD11 ILE 99 218.441 -0.319 -5.523 783 HD12 ILE 99 HD12 ILE 99 220.060 0.151 -6.039 784 HD13 ILE 99 HD13 ILE 99 218.848 1.387 -5.703 785 H VAL 100 HN VAL 100 219.876 1.754 -1.077 786 HA VAL 100 HA VAL 100 217.213 1.683 0.098 787 HB VAL 100 HB VAL 100 217.987 2.811 2.167 788 HG11 VAL 100 HG11 VAL 100 219.264 0.585 2.980 789 HG12 VAL 100 HG12 VAL 100 218.491 -0.006 1.515 790 HG13 VAL 100 HG13 VAL 100 217.517 0.712 2.794 791 HG21 VAL 100 HG21 VAL 100 220.551 2.080 2.575 792 HG22 VAL 100 HG22 VAL 100 220.061 3.671 1.994 793 HG23 VAL 100 HG23 VAL 100 220.589 2.438 0.849 794 H LEU 101 HN LEU 101 216.146 3.593 -0.032 795 HA LEU 101 HA LEU 101 216.861 5.540 -1.799 796 HB2 LEU 101 HB2 LEU 101 215.237 6.055 0.677 797 HB3 LEU 101 HB1 LEU 101 215.202 6.980 -0.800 798 HG LEU 101 HG LEU 101 214.487 4.092 -0.860 799 HD11 LEU 101 HD11 LEU 101 212.406 4.366 -0.017 800 HD12 LEU 101 HD12 LEU 101 212.294 6.043 -0.551 801 HD13 LEU 101 HD13 LEU 101 213.205 5.640 0.904 802 HD21 LEU 101 HD21 LEU 101 214.027 6.505 -2.548 803 HD22 LEU 101 HD22 LEU 101 212.899 5.151 -2.630 804 HD23 LEU 101 HD23 LEU 101 214.603 4.903 -3.011 805 H ASP 102 HN ASP 102 217.530 7.635 -1.680 806 HA ASP 102 HA ASP 102 218.962 8.567 0.653 807 HB2 ASP 102 HB2 ASP 102 220.528 7.027 -0.394 808 HB3 ASP 102 HB1 ASP 102 220.318 7.836 -1.938 809 H ILE 103 HN ILE 103 219.991 10.716 0.185 810 HA ILE 103 HA ILE 103 218.163 12.301 -1.443 811 HB ILE 103 HB ILE 103 220.404 13.282 0.328 812 HG12 ILE 103 HG12 ILE 103 218.193 13.870 1.731 813 HG13 ILE 103 HG11 ILE 103 217.627 12.407 0.932 814 HG21 ILE 103 HG21 ILE 103 219.104 14.666 -1.575 815 HG22 ILE 103 HG22 ILE 103 219.715 15.390 -0.088 816 HG23 ILE 103 HG23 ILE 103 218.018 14.927 -0.211 817 HD11 ILE 103 HD11 ILE 103 218.827 12.341 3.272 818 HD12 ILE 103 HD12 ILE 103 220.275 12.331 2.265 819 HD13 ILE 103 HD13 ILE 103 219.061 11.065 2.077 820 H ILE 104 HN ILE 104 218.658 12.848 -3.492 821 HA ILE 104 HA ILE 104 221.142 12.214 -4.660 822 HB ILE 104 HB ILE 104 219.069 12.332 -5.952 823 HG12 ILE 104 HG12 ILE 104 220.020 13.909 -7.817 824 HG13 ILE 104 HG11 ILE 104 221.417 14.015 -6.752 825 HG21 ILE 104 HG21 ILE 104 218.975 15.179 -6.382 826 HG22 ILE 104 HG22 ILE 104 218.728 14.788 -4.680 827 HG23 ILE 104 HG23 ILE 104 217.689 14.070 -5.910 828 HD11 ILE 104 HD11 ILE 104 220.511 11.285 -7.201 829 HD12 ILE 104 HD12 ILE 104 222.128 11.982 -7.310 830 HD13 ILE 104 HD13 ILE 104 221.014 12.119 -8.671 831 H LYS 105 HN LYS 105 222.901 13.391 -5.152 832 HA LYS 105 HA LYS 105 224.421 15.078 -5.186 833 HB2 LYS 105 HB2 LYS 105 222.094 16.912 -4.597 834 HB3 LYS 105 HB1 LYS 105 223.690 17.404 -5.143 835 HG2 LYS 105 HG2 LYS 105 223.028 17.209 -7.241 836 HG3 LYS 105 HG1 LYS 105 222.731 15.489 -6.986 837 HD2 LYS 105 HD2 LYS 105 220.570 15.896 -7.338 838 HD3 LYS 105 HD1 LYS 105 220.552 16.781 -5.811 839 HE2 LYS 105 HE2 LYS 105 221.095 18.842 -6.972 840 HE3 LYS 105 HE1 LYS 105 221.214 17.974 -8.502 841 HZ1 LYS 105 HZ1 LYS 105 218.875 18.890 -7.081 842 HZ2 LYS 105 HZ2 LYS 105 218.748 17.308 -7.665 843 HZ3 LYS 105 HZ3 LYS 105 219.087 18.578 -8.730 844 H SER 106 HN SER 106 222.764 14.112 -2.500 845 HA SER 106 HA SER 106 222.957 14.455 -0.242 846 HB2 SER 106 HB2 SER 106 225.889 14.864 -0.763 847 HB3 SER 106 HB1 SER 106 225.108 13.967 0.539 848 HG SER 106 HG SER 106 225.929 13.090 -1.865 849 H ASP 107 HN ASP 107 222.431 16.898 -1.719 850 HA ASP 107 HA ASP 107 223.993 18.907 -0.280 851 HB2 ASP 107 HB2 ASP 107 222.273 18.916 -2.709 852 HB3 ASP 107 HB1 ASP 107 222.367 20.407 -1.776 853 H LYS 108 HN LYS 108 222.930 20.660 0.820 854 HA LYS 108 HA LYS 108 220.790 19.740 2.499 855 HB2 LYS 108 HB2 LYS 108 222.828 21.712 2.633 856 HB3 LYS 108 HB1 LYS 108 221.291 22.540 2.831 857 HG2 LYS 108 HG2 LYS 108 221.268 21.917 4.951 858 HG3 LYS 108 HG1 LYS 108 221.158 20.235 4.431 859 HD2 LYS 108 HD2 LYS 108 223.818 21.593 4.495 860 HD3 LYS 108 HD1 LYS 108 223.105 20.999 5.995 861 HE2 LYS 108 HE2 LYS 108 222.883 18.766 4.963 862 HE3 LYS 108 HE1 LYS 108 223.684 19.379 3.517 863 HZ1 LYS 108 HZ1 LYS 108 225.064 19.750 6.061 864 HZ2 LYS 108 HZ2 LYS 108 225.693 19.404 4.530 865 HZ3 LYS 108 HZ3 LYS 108 224.992 18.172 5.453 866 H GLU 109 HN GLU 109 220.953 21.359 -0.466 867 HA GLU 109 HA GLU 109 218.899 23.201 -0.416 868 HB2 GLU 109 HB2 GLU 109 220.133 21.502 -2.506 869 HB3 GLU 109 HB1 GLU 109 218.568 22.202 -2.894 870 HG2 GLU 109 HG2 GLU 109 219.528 24.433 -2.248 871 HG3 GLU 109 HG1 GLU 109 221.102 23.644 -2.175 872 H ALA 110 HN ALA 110 216.789 23.087 -0.053 873 HA ALA 110 HA ALA 110 215.490 20.609 0.465 874 HB1 ALA 110 HB1 ALA 110 213.865 23.044 0.007 875 HB2 ALA 110 HB2 ALA 110 215.039 23.087 1.323 876 HB3 ALA 110 HB3 ALA 110 213.782 21.851 1.303 877 H GLY 111 HN GLY 111 213.505 19.863 -0.597 878 HA2 GLY 111 HA2 GLY 111 212.209 19.354 -2.432 879 HA3 GLY 111 HA1 GLY 111 212.877 20.763 -3.242 880 H ALA 112 HN ALA 112 215.242 18.662 -1.986 881 HA ALA 112 HA ALA 112 216.146 17.994 -4.621 882 HB1 ALA 112 HB1 ALA 112 217.515 18.451 -2.442 883 HB2 ALA 112 HB2 ALA 112 218.094 17.280 -3.627 884 HB3 ALA 112 HB3 ALA 112 217.274 16.726 -2.168 885 H HIS 113 HN HIS 113 215.865 16.169 -5.736 886 HA HIS 113 HA HIS 113 213.886 14.311 -4.984 887 HB2 HIS 113 HB2 HIS 113 215.933 14.376 -7.188 888 HB3 HIS 113 HB1 HIS 113 214.870 12.989 -6.973 889 HD1 HIS 113 HD1 HIS 113 215.011 16.329 -8.446 890 HD2 HIS 113 HD2 HIS 113 212.053 13.657 -7.274 891 HE1 HIS 113 HE1 HIS 113 212.904 17.125 -9.564 892 HE2 HIS 113 HE2 HIS 113 211.148 15.440 -8.913 893 H ILE 114 HN ILE 114 214.344 11.886 -5.098 894 HA ILE 114 HA ILE 114 216.805 11.176 -3.679 895 HB ILE 114 HB ILE 114 215.234 9.509 -2.420 896 HG12 ILE 114 HG12 ILE 114 213.251 10.476 -3.774 897 HG13 ILE 114 HG11 ILE 114 213.026 10.131 -2.065 898 HG21 ILE 114 HG21 ILE 114 216.200 10.708 -0.817 899 HG22 ILE 114 HG22 ILE 114 214.791 11.764 -0.872 900 HG23 ILE 114 HG23 ILE 114 216.224 12.157 -1.822 901 HD11 ILE 114 HD11 ILE 114 212.001 12.206 -2.476 902 HD12 ILE 114 HD12 ILE 114 213.390 12.802 -3.383 903 HD13 ILE 114 HD13 ILE 114 213.510 12.569 -1.640 904 H CYS 115 HN CYS 115 217.229 8.809 -3.719 905 HA CYS 115 HA CYS 115 215.799 7.237 -5.659 906 HB2 CYS 115 HB2 CYS 115 217.887 6.752 -6.958 907 HB3 CYS 115 HB1 CYS 115 217.280 8.392 -7.165 908 HG CYS 115 HG CYS 115 219.519 9.128 -6.540 909 H ALA 116 HN ALA 116 216.910 4.967 -5.775 910 HA ALA 116 HA ALA 116 217.724 4.321 -3.037 911 HB1 ALA 116 HB1 ALA 116 216.261 2.903 -5.126 912 HB2 ALA 116 HB2 ALA 116 216.237 2.686 -3.377 913 HB3 ALA 116 HB3 ALA 116 217.498 1.920 -4.342 914 H TRP 117 HN TRP 117 219.771 3.881 -2.574 915 HA TRP 117 HA TRP 117 221.538 3.043 -4.763 916 HB2 TRP 117 HB2 TRP 117 221.909 5.416 -4.470 917 HB3 TRP 117 HB1 TRP 117 222.181 5.195 -2.748 918 HD1 TRP 117 HD1 TRP 117 224.631 4.912 -2.037 919 HE1 TRP 117 HE1 TRP 117 226.851 4.444 -3.254 920 HE3 TRP 117 HE3 TRP 117 222.813 4.029 -6.732 921 HZ2 TRP 117 HZ2 TRP 117 227.716 3.787 -5.860 922 HZ3 TRP 117 HZ3 TRP 117 224.402 3.487 -8.531 923 HH2 TRP 117 HH2 TRP 117 226.803 3.370 -8.102 924 H LYS 118 HN LYS 118 223.571 2.166 -4.070 925 HA LYS 118 HA LYS 118 223.257 0.085 -2.207 926 HB2 LYS 118 HB2 LYS 118 224.829 0.047 -4.138 927 HB3 LYS 118 HB1 LYS 118 225.854 1.194 -3.286 928 HG2 LYS 118 HG2 LYS 118 225.170 -1.233 -1.778 929 HG3 LYS 118 HG1 LYS 118 226.171 -1.483 -3.209 930 HD2 LYS 118 HD2 LYS 118 227.653 0.374 -2.328 931 HD3 LYS 118 HD1 LYS 118 226.746 0.255 -0.819 932 HE2 LYS 118 HE2 LYS 118 228.458 -1.844 -2.130 933 HE3 LYS 118 HE1 LYS 118 228.688 -1.082 -0.557 934 HZ1 LYS 118 HZ1 LYS 118 226.652 -2.162 0.207 935 HZ2 LYS 118 HZ2 LYS 118 227.793 -3.299 -0.311 936 HZ3 LYS 118 HZ3 LYS 118 226.472 -2.917 -1.297 937 H GLN 119 HN GLN 119 223.370 0.091 -0.059 938 HA GLN 119 HA GLN 119 223.922 2.381 1.451 939 HB2 GLN 119 HB2 GLN 119 222.541 0.464 2.214 940 HB3 GLN 119 HB1 GLN 119 224.007 -0.494 2.377 941 HG2 GLN 119 HG2 GLN 119 224.767 0.751 4.187 942 HG3 GLN 119 HG1 GLN 119 223.697 2.105 3.826 943 HE21 GLN 119 HE21 GLN 119 224.138 -0.680 5.652 944 HE22 GLN 119 HE22 GLN 119 222.547 -0.806 6.314 945 H HIS 120 HN HIS 120 225.754 3.291 2.089 946 HA HIS 120 HA HIS 120 228.158 1.633 2.320 947 HB2 HIS 120 HB2 HIS 120 229.421 3.707 1.387 948 HB3 HIS 120 HB1 HIS 120 228.658 2.583 0.272 949 HD1 HIS 120 HD1 HIS 120 226.413 4.980 1.994 950 HD2 HIS 120 HD2 HIS 120 228.495 4.722 -1.588 951 HE1 HIS 120 HE1 HIS 120 225.475 6.803 0.542 952 HE2 HIS 120 HE2 HIS 120 226.821 6.692 -1.583 953 H GLY 121 HN GLY 121 226.104 3.361 4.024 954 HA2 GLY 121 HA2 GLY 121 226.324 4.135 6.197 955 HA3 GLY 121 HA1 GLY 121 228.066 3.988 6.042 956 H GLY 122 HN GLY 122 226.839 5.756 3.464 957 HA2 GLY 122 HA2 GLY 122 228.133 8.131 4.229 958 HA3 GLY 122 HA1 GLY 122 226.987 7.976 2.905 959 HA PRO 123 HA PRO 123 225.248 10.258 6.793 960 HB2 PRO 123 HB2 PRO 123 225.630 12.841 5.988 961 HB3 PRO 123 HB1 PRO 123 226.757 11.965 7.031 962 HG2 PRO 123 HG2 PRO 123 226.889 12.446 4.079 963 HG3 PRO 123 HG1 PRO 123 228.184 12.539 5.288 964 HD2 PRO 123 HD2 PRO 123 227.893 10.404 3.673 965 HD3 PRO 123 HD1 PRO 123 228.466 10.244 5.346 966 H ASN 124 HN ASN 124 225.139 10.737 3.330 967 HA ASN 124 HA ASN 124 222.612 12.080 3.303 968 HB2 ASN 124 HB2 ASN 124 222.702 11.580 0.836 969 HB3 ASN 124 HB1 ASN 124 224.087 12.471 1.462 970 HD21 ASN 124 HD21 ASN 124 224.539 11.378 -0.841 971 HD22 ASN 124 HD22 ASN 124 225.481 9.934 -0.726 972 H GLN 125 HN GLN 125 223.385 8.945 4.044 973 HA GLN 125 HA GLN 125 220.884 7.879 2.925 974 HB2 GLN 125 HB2 GLN 125 223.028 6.175 4.152 975 HB3 GLN 125 HB1 GLN 125 221.813 5.732 2.963 976 HG2 GLN 125 HG2 GLN 125 223.497 7.773 1.880 977 HG3 GLN 125 HG1 GLN 125 224.489 6.470 2.528 978 HE21 GLN 125 HE21 GLN 125 224.075 4.315 1.772 979 HE22 GLN 125 HE22 GLN 125 223.441 4.067 0.184 980 H LYS 126 HN LYS 126 221.566 9.454 5.544 981 HA LYS 126 HA LYS 126 220.418 7.525 7.441 982 HB2 LYS 126 HB2 LYS 126 221.546 10.194 8.221 983 HB3 LYS 126 HB1 LYS 126 221.390 8.738 9.192 984 HG2 LYS 126 HG2 LYS 126 223.259 8.982 6.849 985 HG3 LYS 126 HG1 LYS 126 223.721 9.332 8.515 986 HD2 LYS 126 HD2 LYS 126 222.564 6.879 8.773 987 HD3 LYS 126 HD1 LYS 126 223.297 6.756 7.173 988 HE2 LYS 126 HE2 LYS 126 225.273 6.403 8.119 989 HE3 LYS 126 HE1 LYS 126 225.188 7.995 8.873 990 HZ1 LYS 126 HZ1 LYS 126 225.479 5.982 10.380 991 HZ2 LYS 126 HZ2 LYS 126 223.848 5.652 10.077 992 HZ3 LYS 126 HZ3 LYS 126 224.292 7.108 10.814 993 H PHE 127 HN PHE 127 218.437 7.807 8.303 994 HA PHE 127 HA PHE 127 217.104 10.397 7.978 995 HB2 PHE 127 HB2 PHE 127 215.695 7.787 7.445 996 HB3 PHE 127 HB1 PHE 127 215.096 9.412 7.149 997 HD1 PHE 127 HD1 PHE 127 217.749 7.032 6.095 998 HD2 PHE 127 HD2 PHE 127 215.324 10.371 5.055 999 HE1 PHE 127 HE1 PHE 127 218.575 6.907 3.781 1000 HE2 PHE 127 HE2 PHE 127 216.145 10.251 2.740 1001 HZ PHE 127 HZ PHE 127 217.770 8.517 2.102 1002 H ILE 128 HN ILE 128 215.335 10.726 9.440 1003 HA ILE 128 HA ILE 128 215.530 9.030 11.838 1004 HB ILE 128 HB ILE 128 214.418 11.770 12.036 1005 HG12 ILE 128 HG12 ILE 128 217.391 11.212 11.911 1006 HG13 ILE 128 HG11 ILE 128 216.471 12.055 10.669 1007 HG21 ILE 128 HG21 ILE 128 215.385 11.682 14.242 1008 HG22 ILE 128 HG22 ILE 128 216.236 10.190 13.842 1009 HG23 ILE 128 HG23 ILE 128 214.476 10.201 13.940 1010 HD11 ILE 128 HD11 ILE 128 216.967 13.938 11.720 1011 HD12 ILE 128 HD12 ILE 128 217.626 13.064 13.102 1012 HD13 ILE 128 HD13 ILE 128 215.900 13.418 13.024 1013 H ILE 129 HN ILE 129 213.726 8.260 12.735 1014 HA ILE 129 HA ILE 129 211.209 8.757 11.301 1015 HB ILE 129 HB ILE 129 211.946 6.292 12.877 1016 HG12 ILE 129 HG12 ILE 129 213.394 6.444 10.939 1017 HG13 ILE 129 HG11 ILE 129 212.175 5.207 10.649 1018 HG21 ILE 129 HG21 ILE 129 209.725 6.670 10.890 1019 HG22 ILE 129 HG22 ILE 129 209.521 6.893 12.628 1020 HG23 ILE 129 HG23 ILE 129 209.983 5.315 11.989 1021 HD11 ILE 129 HD11 ILE 129 211.791 6.211 8.713 1022 HD12 ILE 129 HD12 ILE 129 212.753 7.616 9.172 1023 HD13 ILE 129 HD13 ILE 129 211.052 7.524 9.629 1024 H GLU 130 HN GLU 130 209.363 9.218 12.417 1025 HA GLU 130 HA GLU 130 209.443 9.203 15.344 1026 HB2 GLU 130 HB2 GLU 130 210.076 11.483 14.475 1027 HB3 GLU 130 HB1 GLU 130 208.474 11.585 13.759 1028 HG2 GLU 130 HG2 GLU 130 207.471 11.374 15.979 1029 HG3 GLU 130 HG1 GLU 130 209.081 11.287 16.692 1030 H SER 131 HN SER 131 207.809 7.916 15.890 1031 HA SER 131 HA SER 131 205.607 7.330 14.232 1032 HB2 SER 131 HB2 SER 131 206.517 6.607 16.924 1033 HB3 SER 131 HB1 SER 131 204.761 6.644 16.765 1034 HG SER 131 HG SER 131 205.167 4.681 16.038 1035 H GLU 132 HN GLU 132 204.097 8.748 13.677 1036 HA GLU 132 HA GLU 132 203.416 11.004 15.307 1037 HB2 GLU 132 HB2 GLU 132 203.388 10.863 12.747 1038 HB3 GLU 132 HB1 GLU 132 201.853 10.025 12.926 1039 HG2 GLU 132 HG2 GLU 132 201.503 12.243 14.492 1040 HG3 GLU 132 HG1 GLU 132 202.485 12.858 13.163 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 194.691 -1.554 8.763 2 H2 MET 1 HT2 MET 1 193.742 -0.211 8.270 3 H3 MET 1 HT3 MET 1 193.315 -1.796 7.770 4 HA MET 1 HA MET 1 191.874 -1.096 9.485 5 HB2 MET 1 HB2 MET 1 192.974 -3.462 9.289 6 HB3 MET 1 HB1 MET 1 193.795 -3.007 10.776 7 HG2 MET 1 HG2 MET 1 191.862 -3.014 12.010 8 HG3 MET 1 HG1 MET 1 190.837 -2.719 10.607 9 HE1 MET 1 HE1 MET 1 191.176 -5.926 8.651 10 HE2 MET 1 HE2 MET 1 190.851 -4.193 8.679 11 HE3 MET 1 HE3 MET 1 189.627 -5.328 9.246 12 H LYS 2 HN LYS 2 195.121 -1.460 10.926 13 HA LYS 2 HA LYS 2 194.385 0.469 12.989 14 HB2 LYS 2 HB2 LYS 2 196.305 -1.743 12.762 15 HB3 LYS 2 HB1 LYS 2 196.937 -0.326 13.588 16 HG2 LYS 2 HG2 LYS 2 194.346 -0.815 14.611 17 HG3 LYS 2 HG1 LYS 2 195.210 -2.353 14.581 18 HD2 LYS 2 HD2 LYS 2 196.615 -1.729 16.219 19 HD3 LYS 2 HD1 LYS 2 196.811 -0.104 15.559 20 HE2 LYS 2 HE2 LYS 2 194.292 -0.944 16.958 21 HE3 LYS 2 HE1 LYS 2 195.689 -0.348 17.853 22 HZ1 LYS 2 HZ1 LYS 2 194.873 1.292 15.609 23 HZ2 LYS 2 HZ2 LYS 2 195.334 1.746 17.172 24 HZ3 LYS 2 HZ3 LYS 2 193.755 1.216 16.878 25 HA PRO 3 HA PRO 3 196.525 3.618 10.599 26 HB2 PRO 3 HB2 PRO 3 196.244 5.614 12.436 27 HB3 PRO 3 HB1 PRO 3 194.959 5.127 11.326 28 HG2 PRO 3 HG2 PRO 3 195.370 4.380 14.196 29 HG3 PRO 3 HG1 PRO 3 193.871 4.829 13.360 30 HD2 PRO 3 HD2 PRO 3 194.499 2.262 13.891 31 HD3 PRO 3 HD1 PRO 3 193.615 2.732 12.425 32 H LYS 4 HN LYS 4 198.644 2.922 10.624 33 HA LYS 4 HA LYS 4 200.244 3.792 12.939 34 HB2 LYS 4 HB2 LYS 4 200.154 1.186 11.560 35 HB3 LYS 4 HB1 LYS 4 201.770 1.808 11.869 36 HG2 LYS 4 HG2 LYS 4 201.158 0.413 13.693 37 HG3 LYS 4 HG1 LYS 4 201.133 2.083 14.261 38 HD2 LYS 4 HD2 LYS 4 198.555 1.342 13.216 39 HD3 LYS 4 HD1 LYS 4 199.077 0.182 14.439 40 HE2 LYS 4 HE2 LYS 4 199.184 1.793 16.104 41 HE3 LYS 4 HE1 LYS 4 199.318 3.119 14.950 42 HZ1 LYS 4 HZ1 LYS 4 196.961 1.833 16.016 43 HZ2 LYS 4 HZ2 LYS 4 196.910 2.098 14.347 44 HZ3 LYS 4 HZ3 LYS 4 197.158 3.397 15.401 45 H PHE 5 HN PHE 5 200.370 5.782 11.614 46 HA PHE 5 HA PHE 5 202.158 5.568 9.308 47 HB2 PHE 5 HB2 PHE 5 201.641 8.163 9.295 48 HB3 PHE 5 HB1 PHE 5 200.491 7.005 8.641 49 HD1 PHE 5 HD1 PHE 5 198.484 6.391 9.938 50 HD2 PHE 5 HD2 PHE 5 201.139 9.460 11.217 51 HE1 PHE 5 HE1 PHE 5 196.753 7.247 11.460 52 HE2 PHE 5 HE2 PHE 5 199.414 10.321 12.744 53 HZ PHE 5 HZ PHE 5 197.217 9.215 12.868 54 H PHE 6 HN PHE 6 203.737 7.607 9.189 55 HA PHE 6 HA PHE 6 204.786 8.376 11.777 56 HB2 PHE 6 HB2 PHE 6 207.045 7.240 10.401 57 HB3 PHE 6 HB1 PHE 6 206.480 6.955 12.036 58 HD1 PHE 6 HD1 PHE 6 204.885 5.110 12.479 59 HD2 PHE 6 HD2 PHE 6 206.658 5.703 8.658 60 HE1 PHE 6 HE1 PHE 6 204.290 2.807 11.849 61 HE2 PHE 6 HE2 PHE 6 206.063 3.405 8.018 62 HZ PHE 6 HZ PHE 6 204.877 1.952 9.616 63 H TYR 7 HN TYR 7 207.006 9.483 11.459 64 HA TYR 7 HA TYR 7 206.813 11.118 9.029 65 HB2 TYR 7 HB2 TYR 7 206.819 11.892 11.762 66 HB3 TYR 7 HB1 TYR 7 208.341 12.434 11.064 67 HD1 TYR 7 HD1 TYR 7 208.200 13.789 8.872 68 HD2 TYR 7 HD2 TYR 7 204.877 13.140 11.448 69 HE1 TYR 7 HE1 TYR 7 207.058 15.726 7.877 70 HE2 TYR 7 HE2 TYR 7 203.725 15.074 10.459 71 HH TYR 7 HH TYR 7 204.311 17.147 9.251 72 H ILE 8 HN ILE 8 208.470 10.976 7.665 73 HA ILE 8 HA ILE 8 210.967 9.782 8.649 74 HB ILE 8 HB ILE 8 210.987 9.997 5.801 75 HG12 ILE 8 HG12 ILE 8 208.505 10.064 5.985 76 HG13 ILE 8 HG11 ILE 8 209.090 8.616 5.175 77 HG21 ILE 8 HG21 ILE 8 212.138 8.381 7.394 78 HG22 ILE 8 HG22 ILE 8 211.499 7.708 5.894 79 HG23 ILE 8 HG23 ILE 8 210.618 7.486 7.405 80 HD11 ILE 8 HD11 ILE 8 207.721 7.526 6.547 81 HD12 ILE 8 HD12 ILE 8 207.574 8.900 7.643 82 HD13 ILE 8 HD13 ILE 8 208.951 7.806 7.779 83 H LYS 9 HN LYS 9 212.421 11.255 9.187 84 HA LYS 9 HA LYS 9 212.561 13.748 7.657 85 HB2 LYS 9 HB2 LYS 9 212.230 14.054 10.018 86 HB3 LYS 9 HB1 LYS 9 213.577 12.990 10.392 87 HG2 LYS 9 HG2 LYS 9 214.897 14.758 10.462 88 HG3 LYS 9 HG1 LYS 9 214.617 14.999 8.737 89 HD2 LYS 9 HD2 LYS 9 213.238 16.726 9.078 90 HD3 LYS 9 HD1 LYS 9 212.449 15.950 10.452 91 HE2 LYS 9 HE2 LYS 9 215.178 17.225 10.565 92 HE3 LYS 9 HE1 LYS 9 213.686 18.048 11.019 93 HZ1 LYS 9 HZ1 LYS 9 215.201 16.710 12.739 94 HZ2 LYS 9 HZ2 LYS 9 214.152 15.468 12.273 95 HZ3 LYS 9 HZ3 LYS 9 213.531 16.897 12.932 96 H SER 10 HN SER 10 214.330 14.344 6.541 97 HA SER 10 HA SER 10 216.377 12.400 6.030 98 HB2 SER 10 HB2 SER 10 215.476 14.914 4.854 99 HB3 SER 10 HB1 SER 10 217.235 14.803 4.914 100 HG SER 10 HG SER 10 215.924 13.832 3.050 101 H GLU 11 HN GLU 11 217.837 12.055 7.569 102 HA GLU 11 HA GLU 11 218.577 13.883 9.560 103 HB2 GLU 11 HB2 GLU 11 218.805 11.491 9.893 104 HB3 GLU 11 HB1 GLU 11 219.980 11.392 8.590 105 HG2 GLU 11 HG2 GLU 11 221.662 11.963 9.922 106 HG3 GLU 11 HG1 GLU 11 220.756 13.296 10.635 107 H LEU 12 HN LEU 12 219.466 13.794 6.324 108 HA LEU 12 HA LEU 12 222.116 14.893 6.715 109 HB2 LEU 12 HB2 LEU 12 221.594 13.419 4.802 110 HB3 LEU 12 HB1 LEU 12 220.482 14.629 4.192 111 HG LEU 12 HG LEU 12 222.432 16.212 4.027 112 HD11 LEU 12 HD11 LEU 12 224.624 14.707 3.784 113 HD12 LEU 12 HD12 LEU 12 223.802 13.803 5.056 114 HD13 LEU 12 HD13 LEU 12 224.176 15.512 5.288 115 HD21 LEU 12 HD21 LEU 12 221.918 15.484 1.947 116 HD22 LEU 12 HD22 LEU 12 221.994 13.782 2.403 117 HD23 LEU 12 HD23 LEU 12 223.481 14.681 2.101 118 H ASN 13 HN ASN 13 219.205 16.078 5.013 119 HA ASN 13 HA ASN 13 220.122 18.802 5.181 120 HB2 ASN 13 HB2 ASN 13 217.416 17.884 4.235 121 HB3 ASN 13 HB1 ASN 13 218.310 19.316 3.751 122 HD21 ASN 13 HD21 ASN 13 218.033 15.863 3.428 123 HD22 ASN 13 HD22 ASN 13 218.994 15.718 2.000 124 H GLY 14 HN GLY 14 218.303 16.779 7.217 125 HA2 GLY 14 HA2 GLY 14 217.269 17.291 9.226 126 HA3 GLY 14 HA1 GLY 14 217.632 18.989 8.935 127 H LYS 15 HN LYS 15 216.208 17.790 6.205 128 HA LYS 15 HA LYS 15 213.662 19.035 6.836 129 HB2 LYS 15 HB2 LYS 15 214.545 17.861 4.200 130 HB3 LYS 15 HB1 LYS 15 213.307 19.069 4.477 131 HG2 LYS 15 HG2 LYS 15 216.276 19.426 4.764 132 HG3 LYS 15 HG1 LYS 15 215.231 20.126 3.527 133 HD2 LYS 15 HD2 LYS 15 214.247 20.787 6.146 134 HD3 LYS 15 HD1 LYS 15 215.947 21.237 6.006 135 HE2 LYS 15 HE2 LYS 15 214.355 21.933 3.658 136 HE3 LYS 15 HE1 LYS 15 213.814 22.730 5.135 137 HZ1 LYS 15 HZ1 LYS 15 216.682 22.730 4.650 138 HZ2 LYS 15 HZ2 LYS 15 215.688 23.951 5.268 139 HZ3 LYS 15 HZ3 LYS 15 215.753 23.678 3.600 140 H VAL 16 HN VAL 16 211.866 17.724 5.303 141 HA VAL 16 HA VAL 16 211.956 14.937 6.253 142 HB VAL 16 HB VAL 16 209.410 15.135 6.357 143 HG11 VAL 16 HG11 VAL 16 211.204 16.546 8.317 144 HG12 VAL 16 HG12 VAL 16 210.633 14.878 8.372 145 HG13 VAL 16 HG13 VAL 16 209.503 16.206 8.633 146 HG21 VAL 16 HG21 VAL 16 209.543 17.420 5.153 147 HG22 VAL 16 HG22 VAL 16 209.895 18.062 6.757 148 HG23 VAL 16 HG23 VAL 16 208.378 17.212 6.461 149 H LEU 17 HN LEU 17 211.260 13.380 4.846 150 HA LEU 17 HA LEU 17 211.263 14.042 2.072 151 HB2 LEU 17 HB2 LEU 17 210.244 11.427 3.133 152 HB3 LEU 17 HB1 LEU 17 211.130 11.744 1.654 153 HG LEU 17 HG LEU 17 212.241 11.714 4.458 154 HD11 LEU 17 HD11 LEU 17 212.895 10.006 2.065 155 HD12 LEU 17 HD12 LEU 17 211.819 9.524 3.375 156 HD13 LEU 17 HD13 LEU 17 213.524 9.832 3.703 157 HD21 LEU 17 HD21 LEU 17 213.682 12.327 1.881 158 HD22 LEU 17 HD22 LEU 17 214.390 12.243 3.495 159 HD23 LEU 17 HD23 LEU 17 213.239 13.521 3.101 160 H ASP 18 HN ASP 18 209.570 14.366 0.678 161 HA ASP 18 HA ASP 18 206.859 13.784 1.607 162 HB2 ASP 18 HB2 ASP 18 207.505 16.167 2.197 163 HB3 ASP 18 HB1 ASP 18 207.596 16.482 0.466 164 H ILE 19 HN ILE 19 205.262 13.872 -0.099 165 HA ILE 19 HA ILE 19 206.434 13.172 -2.697 166 HB ILE 19 HB ILE 19 203.587 12.712 -1.810 167 HG12 ILE 19 HG12 ILE 19 205.959 10.839 -1.633 168 HG13 ILE 19 HG11 ILE 19 205.107 11.559 -0.271 169 HG21 ILE 19 HG21 ILE 19 203.878 12.637 -4.198 170 HG22 ILE 19 HG22 ILE 19 203.648 10.994 -3.597 171 HG23 ILE 19 HG23 ILE 19 205.262 11.556 -4.034 172 HD11 ILE 19 HD11 ILE 19 203.344 10.096 -2.057 173 HD12 ILE 19 HD12 ILE 19 203.533 9.992 -0.307 174 HD13 ILE 19 HD13 ILE 19 204.621 9.095 -1.366 175 H GLU 20 HN GLU 20 206.058 14.363 -4.488 176 HA GLU 20 HA GLU 20 205.438 16.983 -4.504 177 HB2 GLU 20 HB2 GLU 20 205.108 14.872 -6.596 178 HB3 GLU 20 HB1 GLU 20 204.557 16.508 -6.931 179 HG2 GLU 20 HG2 GLU 20 207.303 16.141 -5.864 180 HG3 GLU 20 HG1 GLU 20 206.988 15.706 -7.543 181 H GLY 21 HN GLY 21 203.756 17.712 -3.280 182 HA2 GLY 21 HA2 GLY 21 201.589 18.151 -2.646 183 HA3 GLY 21 HA1 GLY 21 201.261 18.075 -4.370 184 H GLN 22 HN GLN 22 201.854 15.838 -1.652 185 HA GLN 22 HA GLN 22 200.842 13.892 -1.047 186 HB2 GLN 22 HB2 GLN 22 198.805 15.697 -1.586 187 HB3 GLN 22 HB1 GLN 22 198.342 14.272 -2.505 188 HG2 GLN 22 HG2 GLN 22 198.038 12.992 -0.640 189 HG3 GLN 22 HG1 GLN 22 199.194 13.917 0.318 190 HE21 GLN 22 HE21 GLN 22 198.531 15.801 1.331 191 HE22 GLN 22 HE22 GLN 22 196.864 16.209 1.529 192 H ASN 23 HN ASN 23 198.994 12.255 -2.396 193 HA ASN 23 HA ASN 23 200.244 11.723 -4.988 194 HB2 ASN 23 HB2 ASN 23 201.429 10.335 -3.331 195 HB3 ASN 23 HB1 ASN 23 199.895 9.631 -2.829 196 HD21 ASN 23 HD21 ASN 23 201.176 10.371 -6.047 197 HD22 ASN 23 HD22 ASN 23 201.077 8.755 -6.646 198 HA PRO 24 HA PRO 24 195.554 11.279 -4.863 199 HB2 PRO 24 HB2 PRO 24 195.655 13.178 -7.103 200 HB3 PRO 24 HB1 PRO 24 194.689 13.240 -5.626 201 HG2 PRO 24 HG2 PRO 24 196.749 14.919 -6.054 202 HG3 PRO 24 HG1 PRO 24 196.337 14.324 -4.435 203 HD2 PRO 24 HD2 PRO 24 198.509 13.422 -6.290 204 HD3 PRO 24 HD1 PRO 24 198.557 13.665 -4.532 205 H ALA 25 HN ALA 25 197.831 11.599 -7.545 206 HA ALA 25 HA ALA 25 196.530 9.298 -8.835 207 HB1 ALA 25 HB1 ALA 25 197.117 11.964 -9.959 208 HB2 ALA 25 HB2 ALA 25 195.849 10.810 -10.372 209 HB3 ALA 25 HB3 ALA 25 197.485 10.581 -10.990 210 HA PRO 26 HA PRO 26 200.514 7.414 -8.993 211 HB2 PRO 26 HB2 PRO 26 199.917 6.491 -11.732 212 HB3 PRO 26 HB1 PRO 26 200.220 5.548 -10.273 213 HG2 PRO 26 HG2 PRO 26 197.771 5.725 -11.348 214 HG3 PRO 26 HG1 PRO 26 198.014 5.642 -9.594 215 HD2 PRO 26 HD2 PRO 26 197.396 8.010 -11.313 216 HD3 PRO 26 HD1 PRO 26 196.782 7.595 -9.700 217 H GLY 27 HN GLY 27 202.568 7.974 -9.614 218 HA2 GLY 27 HA2 GLY 27 204.084 8.589 -11.416 219 HA3 GLY 27 HA1 GLY 27 202.814 9.622 -12.050 220 H SER 28 HN SER 28 202.829 9.930 -8.715 221 HA SER 28 HA SER 28 203.924 12.565 -8.887 222 HB2 SER 28 HB2 SER 28 203.028 10.953 -6.486 223 HB3 SER 28 HB1 SER 28 203.427 12.671 -6.463 224 HG SER 28 HG SER 28 201.686 13.077 -7.789 225 H LYS 29 HN LYS 29 205.908 13.245 -8.452 226 HA LYS 29 HA LYS 29 207.972 11.327 -7.825 227 HB2 LYS 29 HB2 LYS 29 207.995 14.266 -8.495 228 HB3 LYS 29 HB1 LYS 29 209.450 13.392 -8.045 229 HG2 LYS 29 HG2 LYS 29 207.687 12.559 -10.329 230 HG3 LYS 29 HG1 LYS 29 209.045 13.671 -10.510 231 HD2 LYS 29 HD2 LYS 29 210.142 11.568 -9.109 232 HD3 LYS 29 HD1 LYS 29 209.026 10.769 -10.218 233 HE2 LYS 29 HE2 LYS 29 211.172 10.944 -11.280 234 HE3 LYS 29 HE1 LYS 29 210.052 12.043 -12.084 235 HZ1 LYS 29 HZ1 LYS 29 211.033 13.741 -10.396 236 HZ2 LYS 29 HZ2 LYS 29 211.880 13.370 -11.812 237 HZ3 LYS 29 HZ3 LYS 29 212.336 12.662 -10.345 238 H ILE 30 HN ILE 30 209.592 11.764 -6.125 239 HA ILE 30 HA ILE 30 208.323 13.057 -3.788 240 HB ILE 30 HB ILE 30 209.488 11.434 -2.352 241 HG12 ILE 30 HG12 ILE 30 210.194 10.048 -4.947 242 HG13 ILE 30 HG11 ILE 30 211.339 10.923 -3.936 243 HG21 ILE 30 HG21 ILE 30 207.993 9.617 -2.750 244 HG22 ILE 30 HG22 ILE 30 207.833 10.049 -4.453 245 HG23 ILE 30 HG23 ILE 30 207.159 11.102 -3.209 246 HD11 ILE 30 HD11 ILE 30 210.388 8.225 -3.715 247 HD12 ILE 30 HD12 ILE 30 210.094 9.118 -2.224 248 HD13 ILE 30 HD13 ILE 30 211.726 9.018 -2.886 249 H ILE 31 HN ILE 31 209.608 14.228 -2.355 250 HA ILE 31 HA ILE 31 212.444 14.545 -2.828 251 HB ILE 31 HB ILE 31 212.484 16.831 -3.371 252 HG12 ILE 31 HG12 ILE 31 210.589 17.491 -1.883 253 HG13 ILE 31 HG11 ILE 31 210.564 18.283 -3.452 254 HG21 ILE 31 HG21 ILE 31 210.295 15.609 -5.042 255 HG22 ILE 31 HG22 ILE 31 212.024 15.335 -5.258 256 HG23 ILE 31 HG23 ILE 31 211.348 16.945 -5.507 257 HD11 ILE 31 HD11 ILE 31 208.466 17.638 -3.654 258 HD12 ILE 31 HD12 ILE 31 208.579 16.644 -2.201 259 HD13 ILE 31 HD13 ILE 31 209.040 15.975 -3.766 260 H THR 32 HN THR 32 213.186 16.527 -1.346 261 HA THR 32 HA THR 32 211.942 15.978 1.262 262 HB THR 32 HB THR 32 213.975 16.387 2.290 263 HG1 THR 32 HG1 THR 32 215.654 17.580 1.272 264 HG21 THR 32 HG21 THR 32 215.207 14.758 1.449 265 HG22 THR 32 HG22 THR 32 215.549 15.684 -0.012 266 HG23 THR 32 HG23 THR 32 214.087 14.701 0.089 267 H TRP 33 HN TRP 33 211.416 17.671 2.702 268 HA TRP 33 HA TRP 33 211.641 20.416 1.834 269 HB2 TRP 33 HB2 TRP 33 209.596 19.395 0.664 270 HB3 TRP 33 HB1 TRP 33 208.859 19.336 2.261 271 HD1 TRP 33 HD1 TRP 33 207.287 21.311 2.599 272 HE1 TRP 33 HE1 TRP 33 207.252 23.791 1.914 273 HE3 TRP 33 HE3 TRP 33 211.649 21.480 -0.063 274 HZ2 TRP 33 HZ2 TRP 33 208.860 25.581 0.442 275 HZ3 TRP 33 HZ3 TRP 33 212.328 23.616 -1.079 276 HH2 TRP 33 HH2 TRP 33 210.960 25.624 -0.831 277 H ASP 34 HN ASP 34 210.416 21.879 3.463 278 HA ASP 34 HA ASP 34 211.348 21.202 6.065 279 HB2 ASP 34 HB2 ASP 34 209.453 23.439 5.327 280 HB3 ASP 34 HB1 ASP 34 210.490 23.347 6.748 281 H GLN 35 HN GLN 35 210.286 20.410 7.806 282 HA GLN 35 HA GLN 35 208.016 18.859 7.534 283 HB2 GLN 35 HB2 GLN 35 209.817 19.143 9.481 284 HB3 GLN 35 HB1 GLN 35 208.525 20.103 10.190 285 HG2 GLN 35 HG2 GLN 35 207.401 17.684 9.221 286 HG3 GLN 35 HG1 GLN 35 208.835 17.291 10.168 287 HE21 GLN 35 HE21 GLN 35 208.783 17.500 12.339 288 HE22 GLN 35 HE22 GLN 35 207.396 18.009 13.235 289 H LYS 36 HN LYS 36 206.017 19.439 7.044 290 HA LYS 36 HA LYS 36 205.059 22.115 7.560 291 HB2 LYS 36 HB2 LYS 36 203.427 19.831 6.470 292 HB3 LYS 36 HB1 LYS 36 203.193 21.555 6.217 293 HG2 LYS 36 HG2 LYS 36 205.777 20.903 5.268 294 HG3 LYS 36 HG1 LYS 36 204.654 19.699 4.636 295 HD2 LYS 36 HD2 LYS 36 203.660 22.451 4.502 296 HD3 LYS 36 HD1 LYS 36 205.109 22.161 3.539 297 HE2 LYS 36 HE2 LYS 36 203.431 21.633 2.045 298 HE3 LYS 36 HE1 LYS 36 203.825 20.054 2.724 299 HZ1 LYS 36 HZ1 LYS 36 201.530 20.119 2.809 300 HZ2 LYS 36 HZ2 LYS 36 201.472 21.753 3.242 301 HZ3 LYS 36 HZ3 LYS 36 201.955 20.595 4.377 302 H LYS 37 HN LYS 37 202.930 22.480 8.580 303 HA LYS 37 HA LYS 37 202.325 20.529 10.694 304 HB2 LYS 37 HB2 LYS 37 202.542 23.522 11.062 305 HB3 LYS 37 HB1 LYS 37 202.015 22.380 12.291 306 HG2 LYS 37 HG2 LYS 37 204.424 21.335 11.562 307 HG3 LYS 37 HG1 LYS 37 204.709 23.068 11.387 308 HD2 LYS 37 HD2 LYS 37 204.926 23.255 13.592 309 HD3 LYS 37 HD1 LYS 37 203.280 22.658 13.808 310 HE2 LYS 37 HE2 LYS 37 204.630 21.199 15.059 311 HE3 LYS 37 HE1 LYS 37 204.262 20.324 13.573 312 HZ1 LYS 37 HZ1 LYS 37 206.493 21.404 12.802 313 HZ2 LYS 37 HZ2 LYS 37 206.501 19.992 13.733 314 HZ3 LYS 37 HZ3 LYS 37 206.802 21.488 14.463 315 H GLY 38 HN GLY 38 200.341 19.825 10.223 316 HA2 GLY 38 HA2 GLY 38 198.011 21.088 10.593 317 HA3 GLY 38 HA1 GLY 38 198.407 21.583 8.955 318 HA PRO 39 HA PRO 39 196.115 17.567 8.683 319 HB2 PRO 39 HB2 PRO 39 194.440 18.843 6.694 320 HB3 PRO 39 HB1 PRO 39 193.983 18.187 8.266 321 HG2 PRO 39 HG2 PRO 39 193.948 20.852 7.677 322 HG3 PRO 39 HG1 PRO 39 194.184 20.210 9.312 323 HD2 PRO 39 HD2 PRO 39 196.217 21.234 7.365 324 HD3 PRO 39 HD1 PRO 39 196.114 21.481 9.122 325 H THR 40 HN THR 40 198.167 19.303 6.778 326 HA THR 40 HA THR 40 197.887 17.453 4.508 327 HB THR 40 HB THR 40 197.589 19.694 3.739 328 HG1 THR 40 HG1 THR 40 199.001 18.397 2.470 329 HG21 THR 40 HG21 THR 40 199.715 21.235 4.035 330 HG22 THR 40 HG22 THR 40 199.848 20.326 5.541 331 HG23 THR 40 HG23 THR 40 198.381 21.241 5.189 332 H ALA 41 HN ALA 41 199.401 17.264 7.171 333 HA ALA 41 HA ALA 41 202.173 17.228 6.391 334 HB1 ALA 41 HB1 ALA 41 202.185 15.904 8.721 335 HB2 ALA 41 HB2 ALA 41 200.642 16.744 8.871 336 HB3 ALA 41 HB3 ALA 41 202.125 17.663 8.610 337 H VAL 42 HN VAL 42 199.534 15.057 6.240 338 HA VAL 42 HA VAL 42 200.613 12.527 6.508 339 HB VAL 42 HB VAL 42 198.546 13.584 4.570 340 HG11 VAL 42 HG11 VAL 42 198.705 11.677 3.440 341 HG12 VAL 42 HG12 VAL 42 198.061 10.877 4.872 342 HG13 VAL 42 HG13 VAL 42 199.804 10.975 4.625 343 HG21 VAL 42 HG21 VAL 42 197.441 13.719 6.520 344 HG22 VAL 42 HG22 VAL 42 198.542 12.614 7.341 345 HG23 VAL 42 HG23 VAL 42 197.251 11.977 6.323 346 H ASN 43 HN ASN 43 201.132 14.873 3.972 347 HA ASN 43 HA ASN 43 202.106 13.131 1.992 348 HB2 ASN 43 HB2 ASN 43 202.852 16.028 2.422 349 HB3 ASN 43 HB1 ASN 43 203.018 15.116 0.924 350 HD21 ASN 43 HD21 ASN 43 201.740 16.879 0.046 351 HD22 ASN 43 HD22 ASN 43 200.018 16.811 0.171 352 H GLN 44 HN GLN 44 203.433 13.885 4.978 353 HA GLN 44 HA GLN 44 206.116 13.105 4.052 354 HB2 GLN 44 HB2 GLN 44 205.219 15.100 6.092 355 HB3 GLN 44 HB1 GLN 44 206.733 14.250 6.346 356 HG2 GLN 44 HG2 GLN 44 207.805 15.448 4.801 357 HG3 GLN 44 HG1 GLN 44 206.465 15.343 3.661 358 HE21 GLN 44 HE21 GLN 44 207.616 17.637 3.555 359 HE22 GLN 44 HE22 GLN 44 206.763 18.874 4.409 360 H LEU 45 HN LEU 45 203.477 11.896 5.336 361 HA LEU 45 HA LEU 45 204.891 10.298 7.345 362 HB2 LEU 45 HB2 LEU 45 201.999 11.043 7.162 363 HB3 LEU 45 HB1 LEU 45 202.607 9.872 8.266 364 HG LEU 45 HG LEU 45 204.181 12.158 8.670 365 HD11 LEU 45 HD11 LEU 45 201.970 13.052 7.454 366 HD12 LEU 45 HD12 LEU 45 202.849 13.969 8.671 367 HD13 LEU 45 HD13 LEU 45 201.413 13.048 9.122 368 HD21 LEU 45 HD21 LEU 45 203.494 10.438 10.314 369 HD22 LEU 45 HD22 LEU 45 201.868 11.122 10.302 370 HD23 LEU 45 HD23 LEU 45 203.227 12.087 10.880 371 H TRP 46 HN TRP 46 204.801 8.128 7.273 372 HA TRP 46 HA TRP 46 203.188 6.890 5.163 373 HB2 TRP 46 HB2 TRP 46 206.099 6.367 5.759 374 HB3 TRP 46 HB1 TRP 46 205.111 5.442 4.639 375 HD1 TRP 46 HD1 TRP 46 205.946 9.219 5.084 376 HE1 TRP 46 HE1 TRP 46 206.401 10.201 2.747 377 HE3 TRP 46 HE3 TRP 46 205.171 5.020 2.270 378 HZ2 TRP 46 HZ2 TRP 46 206.423 9.314 0.066 379 HZ3 TRP 46 HZ3 TRP 46 205.423 5.173 -0.171 380 HH2 TRP 46 HH2 TRP 46 206.038 7.276 -1.249 381 H TYR 47 HN TYR 47 203.174 4.456 5.425 382 HA TYR 47 HA TYR 47 203.488 3.623 8.194 383 HB2 TYR 47 HB2 TYR 47 201.244 2.596 8.249 384 HB3 TYR 47 HB1 TYR 47 201.186 4.346 8.124 385 HD1 TYR 47 HD1 TYR 47 200.829 1.220 6.156 386 HD2 TYR 47 HD2 TYR 47 200.008 5.385 6.399 387 HE1 TYR 47 HE1 TYR 47 199.300 1.025 4.239 388 HE2 TYR 47 HE2 TYR 47 198.479 5.204 4.481 389 HH TYR 47 HH TYR 47 197.067 3.302 3.428 390 H THR 48 HN THR 48 203.213 1.184 8.397 391 HA THR 48 HA THR 48 204.348 -0.058 5.986 392 HB THR 48 HB THR 48 205.127 -1.826 7.673 393 HG1 THR 48 HG1 THR 48 205.018 -1.346 9.765 394 HG21 THR 48 HG21 THR 48 206.921 -0.621 6.987 395 HG22 THR 48 HG22 THR 48 206.866 -0.118 8.677 396 HG23 THR 48 HG23 THR 48 206.193 0.925 7.424 397 H ASP 49 HN ASP 49 203.392 -1.750 5.024 398 HA ASP 49 HA ASP 49 200.724 -2.427 5.844 399 HB2 ASP 49 HB2 ASP 49 202.488 -3.305 3.567 400 HB3 ASP 49 HB1 ASP 49 200.922 -4.055 3.859 401 H GLN 50 HN GLN 50 200.059 -4.807 5.815 402 HA GLN 50 HA GLN 50 201.280 -6.107 7.991 403 HB2 GLN 50 HB2 GLN 50 199.050 -6.629 6.157 404 HB3 GLN 50 HB1 GLN 50 199.829 -8.086 6.759 405 HG2 GLN 50 HG2 GLN 50 199.127 -7.755 8.884 406 HG3 GLN 50 HG1 GLN 50 199.180 -5.998 8.746 407 HE21 GLN 50 HE21 GLN 50 197.241 -8.781 8.624 408 HE22 GLN 50 HE22 GLN 50 195.756 -8.019 8.178 409 H GLN 51 HN GLN 51 201.901 -6.222 4.592 410 HA GLN 51 HA GLN 51 203.466 -8.674 4.828 411 HB2 GLN 51 HB2 GLN 51 201.920 -8.159 2.859 412 HB3 GLN 51 HB1 GLN 51 203.134 -6.993 2.350 413 HG2 GLN 51 HG2 GLN 51 204.542 -8.579 1.617 414 HG3 GLN 51 HG1 GLN 51 204.155 -9.683 2.936 415 HE21 GLN 51 HE21 GLN 51 202.423 -8.200 0.211 416 HE22 GLN 51 HE22 GLN 51 201.701 -9.666 -0.349 417 H GLY 52 HN GLY 52 203.971 -5.464 5.408 418 HA2 GLY 52 HA2 GLY 52 206.086 -4.650 6.113 419 HA3 GLY 52 HA1 GLY 52 206.858 -5.800 5.034 420 H VAL 53 HN VAL 53 204.284 -4.272 3.475 421 HA VAL 53 HA VAL 53 206.154 -2.626 1.963 422 HB VAL 53 HB VAL 53 203.243 -3.202 1.394 423 HG11 VAL 53 HG11 VAL 53 203.418 -1.902 -0.406 424 HG12 VAL 53 HG12 VAL 53 204.983 -2.584 -0.848 425 HG13 VAL 53 HG13 VAL 53 204.893 -1.269 0.324 426 HG21 VAL 53 HG21 VAL 53 204.938 -5.171 1.459 427 HG22 VAL 53 HG22 VAL 53 205.518 -4.487 -0.059 428 HG23 VAL 53 HG23 VAL 53 203.842 -5.014 0.087 429 H ILE 54 HN ILE 54 206.355 -0.535 2.427 430 HA ILE 54 HA ILE 54 204.525 0.762 4.197 431 HB ILE 54 HB ILE 54 205.976 2.830 3.553 432 HG12 ILE 54 HG12 ILE 54 208.172 0.939 3.035 433 HG13 ILE 54 HG11 ILE 54 207.025 1.121 1.710 434 HG21 ILE 54 HG21 ILE 54 206.177 2.107 5.720 435 HG22 ILE 54 HG22 ILE 54 207.814 1.858 5.114 436 HG23 ILE 54 HG23 ILE 54 206.706 0.493 5.247 437 HD11 ILE 54 HD11 ILE 54 207.523 3.714 2.499 438 HD12 ILE 54 HD12 ILE 54 208.222 2.886 1.108 439 HD13 ILE 54 HD13 ILE 54 209.091 2.919 2.642 440 H ARG 55 HN ARG 55 203.261 2.537 3.811 441 HA ARG 55 HA ARG 55 202.873 3.504 1.106 442 HB2 ARG 55 HB2 ARG 55 200.432 2.540 2.564 443 HB3 ARG 55 HB1 ARG 55 200.616 2.918 0.862 444 HG2 ARG 55 HG2 ARG 55 202.003 0.589 2.152 445 HG3 ARG 55 HG1 ARG 55 200.380 0.478 1.473 446 HD2 ARG 55 HD2 ARG 55 202.475 1.682 -0.237 447 HD3 ARG 55 HD1 ARG 55 202.583 -0.053 0.059 448 HE ARG 55 HE ARG 55 200.693 1.289 -1.604 449 HH11 ARG 55 HH11 ARG 55 201.128 -1.488 0.464 450 HH12 ARG 55 HH12 ARG 55 199.916 -2.431 -0.336 451 HH21 ARG 55 HH21 ARG 55 199.099 0.051 -2.658 452 HH22 ARG 55 HH22 ARG 55 198.764 -1.558 -2.109 453 H SER 56 HN SER 56 202.330 5.620 1.119 454 HA SER 56 HA SER 56 202.549 7.131 3.436 455 HB2 SER 56 HB2 SER 56 201.117 7.916 0.886 456 HB3 SER 56 HB1 SER 56 201.725 9.025 2.115 457 HG SER 56 HG SER 56 203.073 7.674 0.130 458 H LYS 57 HN LYS 57 201.209 8.134 4.794 459 HA LYS 57 HA LYS 57 198.947 6.833 5.667 460 HB2 LYS 57 HB2 LYS 57 200.404 8.589 6.839 461 HB3 LYS 57 HB1 LYS 57 199.346 9.774 6.085 462 HG2 LYS 57 HG2 LYS 57 197.444 8.384 7.110 463 HG3 LYS 57 HG1 LYS 57 198.711 7.726 8.145 464 HD2 LYS 57 HD2 LYS 57 199.156 9.805 9.121 465 HD3 LYS 57 HD1 LYS 57 198.358 10.686 7.818 466 HE2 LYS 57 HE2 LYS 57 196.704 8.798 9.393 467 HE3 LYS 57 HE1 LYS 57 197.219 10.280 10.197 468 HZ1 LYS 57 HZ1 LYS 57 195.184 10.796 9.209 469 HZ2 LYS 57 HZ2 LYS 57 195.559 9.996 7.767 470 HZ3 LYS 57 HZ3 LYS 57 196.327 11.453 8.148 471 H LEU 58 HN LEU 58 199.255 9.135 3.111 472 HA LEU 58 HA LEU 58 196.700 10.215 3.005 473 HB2 LEU 58 HB2 LEU 58 197.127 10.585 0.623 474 HB3 LEU 58 HB1 LEU 58 198.497 11.034 1.619 475 HG LEU 58 HG LEU 58 199.214 8.516 0.992 476 HD11 LEU 58 HD11 LEU 58 198.584 7.859 -1.145 477 HD12 LEU 58 HD12 LEU 58 197.965 9.457 -1.561 478 HD13 LEU 58 HD13 LEU 58 197.074 8.431 -0.436 479 HD21 LEU 58 HD21 LEU 58 199.678 10.844 -0.861 480 HD22 LEU 58 HD22 LEU 58 200.743 9.470 -0.564 481 HD23 LEU 58 HD23 LEU 58 200.472 10.666 0.704 482 H ASN 59 HN ASN 59 197.910 7.178 1.633 483 HA ASN 59 HA ASN 59 195.518 5.787 1.914 484 HB2 ASN 59 HB2 ASN 59 195.276 7.606 -0.156 485 HB3 ASN 59 HB1 ASN 59 195.694 6.111 -0.988 486 HD21 ASN 59 HD21 ASN 59 194.142 4.677 -1.345 487 HD22 ASN 59 HD22 ASN 59 192.560 4.719 -0.654 488 H ASP 60 HN ASP 60 195.523 3.974 -0.087 489 HA ASP 60 HA ASP 60 197.907 2.491 0.450 490 HB2 ASP 60 HB2 ASP 60 195.360 2.010 -1.007 491 HB3 ASP 60 HB1 ASP 60 196.742 1.017 -1.462 492 H PHE 61 HN PHE 61 199.530 3.883 -0.420 493 HA PHE 61 HA PHE 61 199.965 3.418 -3.264 494 HB2 PHE 61 HB2 PHE 61 199.700 6.112 -1.981 495 HB3 PHE 61 HB1 PHE 61 200.807 5.902 -3.335 496 HD1 PHE 61 HD2 PHE 61 199.963 5.321 -5.551 497 HD2 PHE 61 HD1 PHE 61 197.329 6.044 -2.289 498 HE1 PHE 61 HE2 PHE 61 198.087 5.562 -7.124 499 HE2 PHE 61 HE1 PHE 61 195.448 6.284 -3.856 500 HZ PHE 61 HZ PHE 61 195.826 6.044 -6.278 501 H ALA 62 HN ALA 62 201.930 2.626 -3.523 502 HA ALA 62 HA ALA 62 203.979 3.238 -1.499 503 HB1 ALA 62 HB1 ALA 62 203.996 1.002 -1.332 504 HB2 ALA 62 HB2 ALA 62 204.941 1.061 -2.820 505 HB3 ALA 62 HB3 ALA 62 203.201 0.781 -2.891 506 H ILE 63 HN ILE 63 206.169 3.464 -2.196 507 HA ILE 63 HA ILE 63 206.390 4.956 -4.666 508 HB ILE 63 HB ILE 63 208.867 4.315 -3.190 509 HG12 ILE 63 HG12 ILE 63 207.843 6.484 -1.748 510 HG13 ILE 63 HG11 ILE 63 206.539 5.303 -1.764 511 HG21 ILE 63 HG21 ILE 63 209.239 6.735 -3.539 512 HG22 ILE 63 HG22 ILE 63 207.645 6.840 -4.284 513 HG23 ILE 63 HG23 ILE 63 208.901 5.855 -5.028 514 HD11 ILE 63 HD11 ILE 63 209.092 5.268 -0.361 515 HD12 ILE 63 HD12 ILE 63 208.709 3.754 -1.181 516 HD13 ILE 63 HD13 ILE 63 207.585 4.426 0.001 517 H ASP 64 HN ASP 64 207.861 4.470 -6.367 518 HA ASP 64 HA ASP 64 208.836 1.706 -6.401 519 HB2 ASP 64 HB2 ASP 64 208.046 1.319 -8.616 520 HB3 ASP 64 HB1 ASP 64 206.694 1.926 -7.671 521 H ALA 65 HN ALA 65 210.839 1.452 -7.056 522 HA ALA 65 HA ALA 65 212.297 3.811 -8.009 523 HB1 ALA 65 HB1 ALA 65 214.256 2.023 -7.683 524 HB2 ALA 65 HB2 ALA 65 213.057 1.339 -6.585 525 HB3 ALA 65 HB3 ALA 65 213.611 2.998 -6.363 526 H SER 66 HN SER 66 210.573 2.636 -9.886 527 HA SER 66 HA SER 66 212.013 0.889 -11.631 528 HB2 SER 66 HB2 SER 66 209.584 2.581 -12.254 529 HB3 SER 66 HB1 SER 66 210.152 1.181 -13.164 530 HG SER 66 HG SER 66 209.405 1.058 -10.434 531 H HIS 67 HN HIS 67 211.245 4.348 -11.678 532 HA HIS 67 HA HIS 67 212.904 4.745 -14.031 533 HB2 HIS 67 HB2 HIS 67 211.420 6.830 -12.429 534 HB3 HIS 67 HB1 HIS 67 212.019 6.967 -14.074 535 HD1 HIS 67 HD1 HIS 67 208.953 7.005 -12.727 536 HD2 HIS 67 HD2 HIS 67 210.673 4.311 -15.382 537 HE1 HIS 67 HE1 HIS 67 207.026 5.902 -13.907 538 HE2 HIS 67 HE2 HIS 67 208.089 4.209 -15.440 539 H GLU 68 HN GLU 68 214.418 6.681 -13.980 540 HA GLU 68 HA GLU 68 216.548 6.271 -12.321 541 HB2 GLU 68 HB2 GLU 68 215.769 8.993 -13.368 542 HB3 GLU 68 HB1 GLU 68 217.389 8.419 -12.995 543 HG2 GLU 68 HG2 GLU 68 216.611 6.586 -14.825 544 HG3 GLU 68 HG1 GLU 68 215.740 8.012 -15.386 545 H GLN 69 HN GLN 69 213.916 8.593 -11.828 546 HA GLN 69 HA GLN 69 214.863 9.053 -9.096 547 HB2 GLN 69 HB2 GLN 69 212.549 10.626 -9.874 548 HB3 GLN 69 HB1 GLN 69 214.114 11.155 -9.290 549 HG2 GLN 69 HG2 GLN 69 214.580 10.376 -11.918 550 HG3 GLN 69 HG1 GLN 69 213.030 11.212 -11.957 551 HE21 GLN 69 HE21 GLN 69 216.390 11.516 -11.787 552 HE22 GLN 69 HE22 GLN 69 216.472 13.226 -11.563 553 H ILE 70 HN ILE 70 213.489 8.711 -7.319 554 HA ILE 70 HA ILE 70 211.633 6.574 -7.688 555 HB ILE 70 HB ILE 70 211.732 8.049 -5.097 556 HG12 ILE 70 HG12 ILE 70 214.073 7.958 -5.791 557 HG13 ILE 70 HG11 ILE 70 213.779 6.823 -4.483 558 HG21 ILE 70 HG21 ILE 70 212.066 5.143 -5.227 559 HG22 ILE 70 HG22 ILE 70 210.564 5.733 -5.936 560 HG23 ILE 70 HG23 ILE 70 210.958 6.114 -4.259 561 HD11 ILE 70 HD11 ILE 70 214.540 6.333 -7.278 562 HD12 ILE 70 HD12 ILE 70 213.362 5.216 -6.589 563 HD13 ILE 70 HD13 ILE 70 214.931 5.431 -5.814 564 H GLU 71 HN GLU 71 209.515 6.526 -7.678 565 HA GLU 71 HA GLU 71 208.002 9.028 -7.324 566 HB2 GLU 71 HB2 GLU 71 208.511 8.078 -9.783 567 HB3 GLU 71 HB1 GLU 71 207.072 7.138 -9.416 568 HG2 GLU 71 HG2 GLU 71 205.730 9.035 -9.249 569 HG3 GLU 71 HG1 GLU 71 207.115 10.110 -9.071 570 H THR 72 HN THR 72 205.645 8.646 -7.045 571 HA THR 72 HA THR 72 205.187 6.162 -5.539 572 HB THR 72 HB THR 72 203.367 7.457 -4.399 573 HG1 THR 72 HG1 THR 72 203.068 9.524 -4.838 574 HG21 THR 72 HG21 THR 72 206.230 8.159 -4.169 575 HG22 THR 72 HG22 THR 72 205.131 7.457 -2.983 576 HG23 THR 72 HG23 THR 72 205.064 9.183 -3.335 577 H GLN 73 HN GLN 73 203.497 4.850 -6.054 578 HA GLN 73 HA GLN 73 201.308 5.717 -7.680 579 HB2 GLN 73 HB2 GLN 73 202.331 3.535 -9.197 580 HB3 GLN 73 HB1 GLN 73 202.038 5.183 -9.723 581 HG2 GLN 73 HG2 GLN 73 204.307 5.790 -8.948 582 HG3 GLN 73 HG1 GLN 73 204.587 4.095 -8.552 583 HE21 GLN 73 HE21 GLN 73 206.294 5.252 -10.243 584 HE22 GLN 73 HE22 GLN 73 206.040 4.704 -11.862 585 HA PRO 74 HA PRO 74 199.113 2.307 -5.953 586 HB2 PRO 74 HB2 PRO 74 198.651 1.188 -8.675 587 HB3 PRO 74 HB1 PRO 74 197.484 1.582 -7.409 588 HG2 PRO 74 HG2 PRO 74 197.754 3.153 -9.541 589 HG3 PRO 74 HG1 PRO 74 197.482 3.843 -7.930 590 HD2 PRO 74 HD2 PRO 74 200.000 3.690 -9.529 591 HD3 PRO 74 HD1 PRO 74 199.424 4.977 -8.451 592 H PHE 75 HN PHE 75 199.718 0.389 -5.084 593 HA PHE 75 HA PHE 75 202.174 -0.792 -5.804 594 HB2 PHE 75 HB2 PHE 75 201.267 -0.852 -3.521 595 HB3 PHE 75 HB1 PHE 75 199.956 -1.893 -4.067 596 HD1 PHE 75 HD1 PHE 75 200.493 -4.190 -4.902 597 HD2 PHE 75 HD2 PHE 75 203.369 -1.732 -2.953 598 HE1 PHE 75 HE1 PHE 75 201.880 -6.173 -4.457 599 HE2 PHE 75 HE2 PHE 75 204.761 -3.710 -2.505 600 HZ PHE 75 HZ PHE 75 204.018 -5.934 -3.258 601 H ASP 76 HN ASP 76 202.679 -2.649 -6.885 602 HA ASP 76 HA ASP 76 200.484 -4.123 -8.167 603 HB2 ASP 76 HB2 ASP 76 202.807 -2.769 -9.457 604 HB3 ASP 76 HB1 ASP 76 202.265 -4.302 -10.131 605 HA PRO 77 HA PRO 77 202.682 -7.621 -6.571 606 HB2 PRO 77 HB2 PRO 77 201.575 -9.575 -8.091 607 HB3 PRO 77 HB1 PRO 77 200.712 -8.783 -6.769 608 HG2 PRO 77 HG2 PRO 77 200.558 -8.259 -9.713 609 HG3 PRO 77 HG1 PRO 77 199.244 -8.369 -8.527 610 HD2 PRO 77 HD2 PRO 77 200.209 -6.001 -9.408 611 HD3 PRO 77 HD1 PRO 77 199.587 -6.221 -7.760 612 H ASN 78 HN ASN 78 202.602 -7.035 -10.048 613 HA ASN 78 HA ASN 78 204.863 -8.802 -10.495 614 HB2 ASN 78 HB2 ASN 78 202.949 -7.312 -12.223 615 HB3 ASN 78 HB1 ASN 78 204.530 -7.701 -12.895 616 HD21 ASN 78 HD21 ASN 78 201.429 -8.774 -12.465 617 HD22 ASN 78 HD22 ASN 78 201.674 -10.457 -12.768 618 H ASN 79 HN ASN 79 204.607 -5.740 -9.329 619 HA ASN 79 HA ASN 79 207.003 -4.786 -10.740 620 HB2 ASN 79 HB2 ASN 79 204.608 -3.489 -9.930 621 HB3 ASN 79 HB1 ASN 79 205.929 -2.791 -8.999 622 HD21 ASN 79 HD21 ASN 79 205.079 -3.726 -12.306 623 HD22 ASN 79 HD22 ASN 79 205.884 -2.404 -13.073 624 HA PRO 80 HA PRO 80 208.919 -5.932 -6.788 625 HB2 PRO 80 HB2 PRO 80 211.439 -5.952 -8.200 626 HB3 PRO 80 HB1 PRO 80 210.543 -7.314 -7.529 627 HG2 PRO 80 HG2 PRO 80 210.895 -6.888 -10.211 628 HG3 PRO 80 HG1 PRO 80 209.537 -7.794 -9.521 629 HD2 PRO 80 HD2 PRO 80 209.632 -4.966 -10.497 630 HD3 PRO 80 HD1 PRO 80 208.349 -6.183 -10.679 631 H LYS 81 HN LYS 81 208.630 -3.099 -8.084 632 HA LYS 81 HA LYS 81 210.895 -1.884 -6.676 633 HB2 LYS 81 HB2 LYS 81 209.342 -0.971 -9.094 634 HB3 LYS 81 HB1 LYS 81 210.457 0.060 -8.221 635 HG2 LYS 81 HG2 LYS 81 211.836 -0.699 -9.860 636 HG3 LYS 81 HG1 LYS 81 212.112 -1.941 -8.638 637 HD2 LYS 81 HD2 LYS 81 210.846 -3.516 -9.764 638 HD3 LYS 81 HD1 LYS 81 209.936 -2.294 -10.655 639 HE2 LYS 81 HE2 LYS 81 212.878 -2.595 -11.095 640 HE3 LYS 81 HE1 LYS 81 211.751 -3.703 -11.877 641 HZ1 LYS 81 HZ1 LYS 81 211.157 -0.860 -12.099 642 HZ2 LYS 81 HZ2 LYS 81 210.975 -2.096 -13.238 643 HZ3 LYS 81 HZ3 LYS 81 212.500 -1.418 -12.964 644 H ARG 82 HN ARG 82 207.473 -2.158 -6.940 645 HA ARG 82 HA ARG 82 206.898 0.277 -5.479 646 HB2 ARG 82 HB2 ARG 82 205.259 -1.864 -6.766 647 HB3 ARG 82 HB1 ARG 82 204.520 -0.785 -5.591 648 HG2 ARG 82 HG2 ARG 82 205.141 1.138 -6.933 649 HG3 ARG 82 HG1 ARG 82 205.929 0.079 -8.105 650 HD2 ARG 82 HD2 ARG 82 203.221 -0.767 -7.586 651 HD3 ARG 82 HD1 ARG 82 203.272 0.919 -8.093 652 HE ARG 82 HE ARG 82 204.161 -1.395 -9.656 653 HH11 ARG 82 HH11 ARG 82 203.572 2.044 -9.458 654 HH12 ARG 82 HH12 ARG 82 203.622 2.272 -11.172 655 HH21 ARG 82 HH21 ARG 82 204.230 -1.084 -11.908 656 HH22 ARG 82 HH22 ARG 82 204.001 0.503 -12.560 657 H ALA 83 HN ALA 83 208.355 -2.136 -4.268 658 HA ALA 83 HA ALA 83 206.646 -2.298 -1.874 659 HB1 ALA 83 HB1 ALA 83 206.517 -4.506 -2.026 660 HB2 ALA 83 HB2 ALA 83 208.275 -4.621 -1.994 661 HB3 ALA 83 HB3 ALA 83 207.430 -4.456 -3.533 662 H TRP 84 HN TRP 84 207.711 -0.846 -0.636 663 HA TRP 84 HA TRP 84 210.607 -1.220 -0.312 664 HB2 TRP 84 HB2 TRP 84 208.859 1.181 0.232 665 HB3 TRP 84 HB1 TRP 84 210.586 1.102 0.580 666 HD1 TRP 84 HD1 TRP 84 208.203 0.871 -2.468 667 HE1 TRP 84 HE1 TRP 84 209.488 1.691 -4.540 668 HE3 TRP 84 HE3 TRP 84 212.778 1.610 -0.334 669 HZ2 TRP 84 HZ2 TRP 84 212.086 2.563 -5.172 670 HZ3 TRP 84 HZ3 TRP 84 214.610 2.439 -1.738 671 HH2 TRP 84 HH2 TRP 84 214.272 2.905 -4.111 672 H ILE 85 HN ILE 85 211.490 -1.718 1.572 673 HA ILE 85 HA ILE 85 209.691 -2.015 3.894 674 HB ILE 85 HB ILE 85 211.393 -3.679 4.717 675 HG12 ILE 85 HG12 ILE 85 212.357 -4.013 1.921 676 HG13 ILE 85 HG11 ILE 85 213.046 -2.692 2.860 677 HG21 ILE 85 HG21 ILE 85 209.231 -4.030 3.130 678 HG22 ILE 85 HG22 ILE 85 210.177 -5.347 3.823 679 HG23 ILE 85 HG23 ILE 85 210.479 -4.820 2.167 680 HD11 ILE 85 HD11 ILE 85 212.972 -5.513 3.870 681 HD12 ILE 85 HD12 ILE 85 213.940 -4.160 4.458 682 HD13 ILE 85 HD13 ILE 85 214.295 -4.883 2.889 683 H VAL 86 HN VAL 86 210.560 -1.487 6.000 684 HA VAL 86 HA VAL 86 212.623 0.589 5.827 685 HB VAL 86 HB VAL 86 210.846 0.079 8.201 686 HG11 VAL 86 HG11 VAL 86 211.310 2.726 8.148 687 HG12 VAL 86 HG12 VAL 86 212.783 2.141 7.373 688 HG13 VAL 86 HG13 VAL 86 212.348 1.570 8.984 689 HG21 VAL 86 HG21 VAL 86 209.493 0.432 6.120 690 HG22 VAL 86 HG22 VAL 86 210.254 2.016 5.970 691 HG23 VAL 86 HG23 VAL 86 209.250 1.649 7.373 692 H SER 87 HN SER 87 214.567 0.276 6.660 693 HA SER 87 HA SER 87 214.944 -1.950 8.554 694 HB2 SER 87 HB2 SER 87 215.930 -2.340 6.275 695 HB3 SER 87 HB1 SER 87 216.983 -0.953 6.553 696 HG SER 87 HG SER 87 217.622 -2.148 8.533 697 H GLY 88 HN GLY 88 214.876 -0.767 10.437 698 HA2 GLY 88 HA2 GLY 88 215.805 0.457 12.148 699 HA3 GLY 88 HA1 GLY 88 217.253 0.616 11.166 700 H ASN 89 HN ASN 89 217.639 2.469 10.090 701 HA ASN 89 HA ASN 89 215.612 4.593 10.325 702 HB2 ASN 89 HB2 ASN 89 217.424 6.176 10.652 703 HB3 ASN 89 HB1 ASN 89 217.566 4.883 11.837 704 HD21 ASN 89 HD21 ASN 89 218.722 5.828 8.612 705 HD22 ASN 89 HD22 ASN 89 220.300 5.154 8.794 706 H THR 90 HN THR 90 216.081 2.731 8.085 707 HA THR 90 HA THR 90 216.465 4.754 6.035 708 HB THR 90 HB THR 90 217.900 2.797 4.894 709 HG1 THR 90 HG1 THR 90 217.759 1.603 6.929 710 HG21 THR 90 HG21 THR 90 218.496 5.264 5.480 711 HG22 THR 90 HG22 THR 90 219.769 4.090 5.143 712 HG23 THR 90 HG23 THR 90 219.381 4.517 6.809 713 H ILE 91 HN ILE 91 215.557 4.304 4.074 714 HA ILE 91 HA ILE 91 213.547 2.169 4.073 715 HB ILE 91 HB ILE 91 213.880 4.286 1.949 716 HG12 ILE 91 HG12 ILE 91 213.719 5.479 4.060 717 HG13 ILE 91 HG11 ILE 91 212.193 5.622 3.194 718 HG21 ILE 91 HG21 ILE 91 211.811 2.304 2.722 719 HG22 ILE 91 HG22 ILE 91 212.336 2.830 1.124 720 HG23 ILE 91 HG23 ILE 91 211.264 3.852 2.080 721 HD11 ILE 91 HD11 ILE 91 211.092 4.196 4.659 722 HD12 ILE 91 HD12 ILE 91 212.133 5.159 5.708 723 HD13 ILE 91 HD13 ILE 91 212.597 3.513 5.275 724 H ALA 92 HN ALA 92 213.969 0.310 3.061 725 HA ALA 92 HA ALA 92 215.945 0.358 0.872 726 HB1 ALA 92 HB1 ALA 92 216.629 -0.705 3.112 727 HB2 ALA 92 HB2 ALA 92 216.947 -1.599 1.626 728 HB3 ALA 92 HB3 ALA 92 215.569 -2.032 2.638 729 H GLN 93 HN GLN 93 215.614 -0.890 -0.900 730 HA GLN 93 HA GLN 93 212.977 -1.447 -1.692 731 HB2 GLN 93 HB2 GLN 93 215.216 -1.052 -3.040 732 HB3 GLN 93 HB1 GLN 93 215.301 -2.805 -2.987 733 HG2 GLN 93 HG2 GLN 93 213.710 -3.054 -4.516 734 HG3 GLN 93 HG1 GLN 93 212.693 -1.804 -3.801 735 HE21 GLN 93 HE21 GLN 93 214.454 0.349 -3.942 736 HE22 GLN 93 HE22 GLN 93 214.704 0.759 -5.601 737 H LEU 94 HN LEU 94 211.969 -3.430 -2.167 738 HA LEU 94 HA LEU 94 212.263 -5.419 -0.187 739 HB2 LEU 94 HB2 LEU 94 210.469 -6.571 -1.225 740 HB3 LEU 94 HB1 LEU 94 210.126 -4.863 -1.351 741 HG LEU 94 HG LEU 94 211.255 -6.504 -3.622 742 HD11 LEU 94 HD11 LEU 94 208.582 -6.422 -2.568 743 HD12 LEU 94 HD12 LEU 94 209.255 -7.411 -3.862 744 HD13 LEU 94 HD13 LEU 94 208.633 -5.801 -4.217 745 HD21 LEU 94 HD21 LEU 94 211.652 -4.430 -4.414 746 HD22 LEU 94 HD22 LEU 94 210.565 -3.674 -3.258 747 HD23 LEU 94 HD23 LEU 94 209.917 -4.407 -4.717 748 H SER 95 HN SER 95 212.841 -5.652 -3.713 749 HA SER 95 HA SER 95 214.140 -8.185 -3.430 750 HB2 SER 95 HB2 SER 95 214.319 -6.516 -5.914 751 HB3 SER 95 HB1 SER 95 214.191 -8.267 -5.755 752 HG SER 95 HG SER 95 212.248 -6.800 -6.350 753 H ASP 96 HN ASP 96 215.245 -5.151 -2.744 754 HA ASP 96 HA ASP 96 218.008 -6.026 -3.141 755 HB2 ASP 96 HB2 ASP 96 216.871 -3.355 -3.970 756 HB3 ASP 96 HB1 ASP 96 218.595 -3.640 -3.760 757 H ARG 97 HN ARG 97 217.995 -6.502 -0.907 758 HA ARG 97 HA ARG 97 217.343 -4.601 1.088 759 HB2 ARG 97 HB2 ARG 97 218.731 -7.231 1.004 760 HB3 ARG 97 HB1 ARG 97 219.033 -6.209 2.402 761 HG2 ARG 97 HG2 ARG 97 217.227 -7.225 3.243 762 HG3 ARG 97 HG1 ARG 97 216.334 -6.073 2.249 763 HD2 ARG 97 HD2 ARG 97 215.704 -7.649 0.749 764 HD3 ARG 97 HD1 ARG 97 217.207 -8.557 0.911 765 HE ARG 97 HE ARG 97 216.176 -9.878 2.455 766 HH11 ARG 97 HH11 ARG 97 214.390 -6.890 2.204 767 HH12 ARG 97 HH12 ARG 97 213.118 -7.417 3.255 768 HH21 ARG 97 HH21 ARG 97 214.505 -10.572 3.837 769 HH22 ARG 97 HH22 ARG 97 213.184 -9.507 4.184 770 H ASP 98 HN ASP 98 220.003 -4.957 -1.010 771 HA ASP 98 HA ASP 98 221.816 -3.424 0.690 772 HB2 ASP 98 HB2 ASP 98 222.225 -4.587 -2.076 773 HB3 ASP 98 HB1 ASP 98 223.466 -3.798 -1.106 774 H ILE 99 HN ILE 99 219.258 -2.579 -0.930 775 HA ILE 99 HA ILE 99 220.441 -0.121 -2.034 776 HB ILE 99 HB ILE 99 218.185 -1.813 -3.086 777 HG12 ILE 99 HG12 ILE 99 220.539 -2.131 -3.892 778 HG13 ILE 99 HG11 ILE 99 219.391 -1.709 -5.159 779 HG21 ILE 99 HG21 ILE 99 217.036 0.131 -3.287 780 HG22 ILE 99 HG22 ILE 99 218.027 0.265 -4.739 781 HG23 ILE 99 HG23 ILE 99 218.493 1.125 -3.272 782 HD11 ILE 99 HD11 ILE 99 221.354 0.148 -3.835 783 HD12 ILE 99 HD12 ILE 99 220.169 0.618 -5.054 784 HD13 ILE 99 HD13 ILE 99 221.459 -0.511 -5.468 785 H VAL 100 HN VAL 100 219.708 1.713 -1.114 786 HA VAL 100 HA VAL 100 217.084 1.738 0.153 787 HB VAL 100 HB VAL 100 217.894 2.671 2.237 788 HG11 VAL 100 HG11 VAL 100 218.081 0.021 1.480 789 HG12 VAL 100 HG12 VAL 100 218.086 0.639 3.127 790 HG13 VAL 100 HG13 VAL 100 219.610 0.335 2.294 791 HG21 VAL 100 HG21 VAL 100 219.861 3.764 2.020 792 HG22 VAL 100 HG22 VAL 100 220.479 2.634 0.815 793 HG23 VAL 100 HG23 VAL 100 220.524 2.210 2.526 794 H LEU 101 HN LEU 101 216.063 3.652 -0.010 795 HA LEU 101 HA LEU 101 216.816 5.607 -1.749 796 HB2 LEU 101 HB2 LEU 101 215.198 6.103 0.736 797 HB3 LEU 101 HB1 LEU 101 215.192 7.073 -0.712 798 HG LEU 101 HG LEU 101 214.414 4.206 -0.864 799 HD11 LEU 101 HD11 LEU 101 212.371 4.482 0.037 800 HD12 LEU 101 HD12 LEU 101 212.230 6.142 -0.541 801 HD13 LEU 101 HD13 LEU 101 213.152 5.793 0.921 802 HD21 LEU 101 HD21 LEU 101 214.425 4.951 -2.995 803 HD22 LEU 101 HD22 LEU 101 214.190 6.633 -2.521 804 HD23 LEU 101 HD23 LEU 101 212.817 5.527 -2.555 805 H ASP 102 HN ASP 102 217.503 7.703 -1.592 806 HA ASP 102 HA ASP 102 218.932 8.603 0.746 807 HB2 ASP 102 HB2 ASP 102 220.469 6.993 -0.264 808 HB3 ASP 102 HB1 ASP 102 220.339 7.822 -1.807 809 H ILE 103 HN ILE 103 220.087 10.715 0.217 810 HA ILE 103 HA ILE 103 218.293 12.345 -1.396 811 HB ILE 103 HB ILE 103 220.676 13.318 0.174 812 HG12 ILE 103 HG12 ILE 103 219.188 11.985 1.640 813 HG13 ILE 103 HG11 ILE 103 219.192 13.694 2.066 814 HG21 ILE 103 HG21 ILE 103 219.532 14.795 -1.526 815 HG22 ILE 103 HG22 ILE 103 219.631 15.436 0.114 816 HG23 ILE 103 HG23 ILE 103 218.115 14.753 -0.476 817 HD11 ILE 103 HD11 ILE 103 217.093 12.696 0.217 818 HD12 ILE 103 HD12 ILE 103 217.035 14.005 1.398 819 HD13 ILE 103 HD13 ILE 103 216.964 12.327 1.937 820 H ILE 104 HN ILE 104 218.738 12.826 -3.482 821 HA ILE 104 HA ILE 104 221.204 12.062 -4.670 822 HB ILE 104 HB ILE 104 219.049 13.837 -5.823 823 HG12 ILE 104 HG12 ILE 104 219.377 10.859 -6.203 824 HG13 ILE 104 HG11 ILE 104 218.305 11.556 -4.992 825 HG21 ILE 104 HG21 ILE 104 221.520 12.634 -6.894 826 HG22 ILE 104 HG22 ILE 104 220.664 14.097 -7.380 827 HG23 ILE 104 HG23 ILE 104 220.091 12.519 -7.921 828 HD11 ILE 104 HD11 ILE 104 216.769 11.395 -6.606 829 HD12 ILE 104 HD12 ILE 104 217.977 11.316 -7.888 830 HD13 ILE 104 HD13 ILE 104 217.505 12.876 -7.216 831 H LYS 105 HN LYS 105 222.960 13.229 -5.215 832 HA LYS 105 HA LYS 105 224.363 15.010 -5.525 833 HB2 LYS 105 HB2 LYS 105 221.985 16.227 -5.935 834 HB3 LYS 105 HB1 LYS 105 222.521 17.078 -4.493 835 HG2 LYS 105 HG2 LYS 105 224.768 17.228 -5.928 836 HG3 LYS 105 HG1 LYS 105 223.594 17.138 -7.243 837 HD2 LYS 105 HD2 LYS 105 222.336 18.990 -6.026 838 HD3 LYS 105 HD1 LYS 105 223.793 19.187 -5.051 839 HE2 LYS 105 HE2 LYS 105 224.215 19.104 -7.963 840 HE3 LYS 105 HE1 LYS 105 223.320 20.501 -7.368 841 HZ1 LYS 105 HZ1 LYS 105 225.967 20.397 -7.458 842 HZ2 LYS 105 HZ2 LYS 105 225.726 19.798 -5.895 843 HZ3 LYS 105 HZ3 LYS 105 225.121 21.319 -6.319 844 H SER 106 HN SER 106 222.863 14.121 -2.655 845 HA SER 106 HA SER 106 223.332 14.407 -0.441 846 HB2 SER 106 HB2 SER 106 226.065 14.489 -1.717 847 HB3 SER 106 HB1 SER 106 225.839 14.473 0.031 848 HG SER 106 HG SER 106 226.127 12.370 -0.995 849 H ASP 107 HN ASP 107 222.674 16.848 -1.906 850 HA ASP 107 HA ASP 107 224.304 18.864 -0.545 851 HB2 ASP 107 HB2 ASP 107 223.370 18.817 -3.094 852 HB3 ASP 107 HB1 ASP 107 222.096 19.740 -2.303 853 H LYS 108 HN LYS 108 223.314 20.566 0.657 854 HA LYS 108 HA LYS 108 221.206 19.651 2.368 855 HB2 LYS 108 HB2 LYS 108 223.255 21.609 2.466 856 HB3 LYS 108 HB1 LYS 108 221.729 22.444 2.713 857 HG2 LYS 108 HG2 LYS 108 221.763 21.801 4.829 858 HG3 LYS 108 HG1 LYS 108 221.621 20.125 4.295 859 HD2 LYS 108 HD2 LYS 108 223.885 19.735 4.478 860 HD3 LYS 108 HD1 LYS 108 224.301 21.437 4.270 861 HE2 LYS 108 HE2 LYS 108 222.941 20.287 6.704 862 HE3 LYS 108 HE1 LYS 108 224.674 20.590 6.576 863 HZ1 LYS 108 HZ1 LYS 108 222.485 22.464 6.938 864 HZ2 LYS 108 HZ2 LYS 108 223.708 22.967 5.883 865 HZ3 LYS 108 HZ3 LYS 108 224.087 22.550 7.478 866 H GLU 109 HN GLU 109 221.248 21.234 -0.593 867 HA GLU 109 HA GLU 109 219.234 23.122 -0.474 868 HB2 GLU 109 HB2 GLU 109 220.341 21.375 -2.594 869 HB3 GLU 109 HB1 GLU 109 218.767 22.088 -2.919 870 HG2 GLU 109 HG2 GLU 109 219.589 24.237 -2.930 871 HG3 GLU 109 HG1 GLU 109 220.994 23.816 -1.950 872 H ALA 110 HN ALA 110 217.100 23.085 -0.163 873 HA ALA 110 HA ALA 110 215.786 20.628 0.499 874 HB1 ALA 110 HB1 ALA 110 213.763 22.158 0.707 875 HB2 ALA 110 HB2 ALA 110 214.866 23.484 0.337 876 HB3 ALA 110 HB3 ALA 110 215.128 22.492 1.772 877 H GLY 111 HN GLY 111 213.702 19.956 -0.479 878 HA2 GLY 111 HA2 GLY 111 212.371 19.408 -2.271 879 HA3 GLY 111 HA1 GLY 111 212.986 20.836 -3.094 880 H ALA 112 HN ALA 112 215.388 18.726 -1.926 881 HA ALA 112 HA ALA 112 216.247 18.106 -4.590 882 HB1 ALA 112 HB1 ALA 112 217.399 16.880 -2.110 883 HB2 ALA 112 HB2 ALA 112 217.706 18.567 -2.521 884 HB3 ALA 112 HB3 ALA 112 218.203 17.285 -3.626 885 H HIS 113 HN HIS 113 215.980 16.280 -5.714 886 HA HIS 113 HA HIS 113 214.000 14.424 -4.982 887 HB2 HIS 113 HB2 HIS 113 216.022 14.588 -7.182 888 HB3 HIS 113 HB1 HIS 113 215.128 13.089 -6.949 889 HD1 HIS 113 HD1 HIS 113 214.951 16.176 -8.733 890 HD2 HIS 113 HD2 HIS 113 212.171 13.664 -6.938 891 HE1 HIS 113 HE1 HIS 113 212.738 16.774 -9.768 892 HE2 HIS 113 HE2 HIS 113 211.087 15.174 -8.736 893 H ILE 114 HN ILE 114 214.437 12.006 -5.070 894 HA ILE 114 HA ILE 114 216.884 11.274 -3.644 895 HB ILE 114 HB ILE 114 215.359 9.651 -2.343 896 HG12 ILE 114 HG12 ILE 114 213.348 10.410 -3.752 897 HG13 ILE 114 HG11 ILE 114 213.113 10.197 -2.022 898 HG21 ILE 114 HG21 ILE 114 214.765 11.912 -0.879 899 HG22 ILE 114 HG22 ILE 114 216.167 12.385 -1.839 900 HG23 ILE 114 HG23 ILE 114 216.253 10.970 -0.790 901 HD11 ILE 114 HD11 ILE 114 213.243 12.720 -3.614 902 HD12 ILE 114 HD12 ILE 114 213.577 12.731 -1.883 903 HD13 ILE 114 HD13 ILE 114 212.014 12.174 -2.475 904 H CYS 115 HN CYS 115 217.278 8.899 -3.677 905 HA CYS 115 HA CYS 115 215.827 7.344 -5.609 906 HB2 CYS 115 HB2 CYS 115 217.778 6.885 -7.014 907 HB3 CYS 115 HB1 CYS 115 217.385 8.601 -7.043 908 HG CYS 115 HG CYS 115 219.782 8.852 -6.563 909 H ALA 116 HN ALA 116 216.914 5.074 -5.733 910 HA ALA 116 HA ALA 116 217.730 4.406 -3.004 911 HB1 ALA 116 HB1 ALA 116 215.939 3.196 -4.675 912 HB2 ALA 116 HB2 ALA 116 216.692 2.439 -3.271 913 HB3 ALA 116 HB3 ALA 116 217.373 2.195 -4.880 914 H TRP 117 HN TRP 117 219.775 3.907 -2.541 915 HA TRP 117 HA TRP 117 221.530 3.094 -4.745 916 HB2 TRP 117 HB2 TRP 117 221.901 5.470 -4.449 917 HB3 TRP 117 HB1 TRP 117 222.195 5.242 -2.732 918 HD1 TRP 117 HD1 TRP 117 224.656 4.972 -2.058 919 HE1 TRP 117 HE1 TRP 117 226.858 4.498 -3.303 920 HE3 TRP 117 HE3 TRP 117 222.772 4.065 -6.723 921 HZ2 TRP 117 HZ2 TRP 117 227.687 3.828 -5.917 922 HZ3 TRP 117 HZ3 TRP 117 224.337 3.515 -8.541 923 HH2 TRP 117 HH2 TRP 117 226.744 3.400 -8.144 924 H LYS 118 HN LYS 118 223.569 2.218 -4.059 925 HA LYS 118 HA LYS 118 223.257 0.134 -2.202 926 HB2 LYS 118 HB2 LYS 118 224.822 0.094 -4.135 927 HB3 LYS 118 HB1 LYS 118 225.849 1.245 -3.290 928 HG2 LYS 118 HG2 LYS 118 226.867 -0.781 -2.850 929 HG3 LYS 118 HG1 LYS 118 225.888 -0.515 -1.406 930 HD2 LYS 118 HD2 LYS 118 224.321 -2.117 -2.020 931 HD3 LYS 118 HD1 LYS 118 224.784 -2.059 -3.722 932 HE2 LYS 118 HE2 LYS 118 227.104 -2.874 -2.589 933 HE3 LYS 118 HE1 LYS 118 225.931 -3.601 -1.493 934 HZ1 LYS 118 HZ1 LYS 118 224.923 -4.757 -3.287 935 HZ2 LYS 118 HZ2 LYS 118 226.589 -5.023 -3.405 936 HZ3 LYS 118 HZ3 LYS 118 225.834 -3.919 -4.440 937 H GLN 119 HN GLN 119 223.228 0.246 -0.060 938 HA GLN 119 HA GLN 119 223.940 2.515 1.427 939 HB2 GLN 119 HB2 GLN 119 222.364 0.765 2.201 940 HB3 GLN 119 HB1 GLN 119 223.717 -0.341 2.395 941 HG2 GLN 119 HG2 GLN 119 224.074 0.421 4.434 942 HG3 GLN 119 HG1 GLN 119 224.317 2.049 3.805 943 HE21 GLN 119 HE21 GLN 119 221.635 -0.196 4.425 944 HE22 GLN 119 HE22 GLN 119 220.591 0.981 5.140 945 H HIS 120 HN HIS 120 225.823 3.249 2.162 946 HA HIS 120 HA HIS 120 228.065 1.388 2.467 947 HB2 HIS 120 HB2 HIS 120 229.586 3.015 1.368 948 HB3 HIS 120 HB1 HIS 120 228.386 2.346 0.267 949 HD1 HIS 120 HD1 HIS 120 228.655 5.440 2.482 950 HD2 HIS 120 HD2 HIS 120 227.265 4.267 -1.255 951 HE1 HIS 120 HE1 HIS 120 227.789 7.538 1.398 952 HE2 HIS 120 HE2 HIS 120 227.024 6.817 -0.892 953 H GLY 121 HN GLY 121 226.144 3.304 4.077 954 HA2 GLY 121 HA2 GLY 121 226.376 4.259 6.169 955 HA3 GLY 121 HA1 GLY 121 228.096 3.902 6.097 956 H GLY 122 HN GLY 122 225.780 5.996 4.376 957 HA2 GLY 122 HA2 GLY 122 227.776 8.166 4.597 958 HA3 GLY 122 HA1 GLY 122 226.672 7.992 3.241 959 HA PRO 123 HA PRO 123 225.032 10.558 7.104 960 HB2 PRO 123 HB2 PRO 123 225.870 12.843 5.388 961 HB3 PRO 123 HB1 PRO 123 225.903 12.685 7.148 962 HG2 PRO 123 HG2 PRO 123 228.148 12.510 5.728 963 HG3 PRO 123 HG1 PRO 123 227.875 11.465 7.135 964 HD2 PRO 123 HD2 PRO 123 227.701 10.815 4.225 965 HD3 PRO 123 HD1 PRO 123 228.281 9.816 5.574 966 H ASN 124 HN ASN 124 224.996 10.991 3.604 967 HA ASN 124 HA ASN 124 222.398 12.199 3.551 968 HB2 ASN 124 HB2 ASN 124 222.591 11.827 1.071 969 HB3 ASN 124 HB1 ASN 124 223.906 12.759 1.781 970 HD21 ASN 124 HD21 ASN 124 223.323 10.561 -0.461 971 HD22 ASN 124 HD22 ASN 124 224.788 9.648 -0.421 972 H GLN 125 HN GLN 125 223.312 9.100 4.224 973 HA GLN 125 HA GLN 125 220.945 7.923 2.939 974 HB2 GLN 125 HB2 GLN 125 222.973 6.210 4.285 975 HB3 GLN 125 HB1 GLN 125 222.022 5.896 2.842 976 HG2 GLN 125 HG2 GLN 125 223.647 7.961 2.054 977 HG3 GLN 125 HG1 GLN 125 224.688 7.026 3.123 978 HE21 GLN 125 HE21 GLN 125 222.472 6.684 0.390 979 HE22 GLN 125 HE22 GLN 125 223.322 5.381 -0.364 980 H LYS 126 HN LYS 126 221.510 9.429 5.682 981 HA LYS 126 HA LYS 126 220.223 7.428 7.411 982 HB2 LYS 126 HB2 LYS 126 221.309 9.996 8.480 983 HB3 LYS 126 HB1 LYS 126 221.198 8.423 9.254 984 HG2 LYS 126 HG2 LYS 126 223.116 9.108 7.038 985 HG3 LYS 126 HG1 LYS 126 223.512 9.120 8.757 986 HD2 LYS 126 HD2 LYS 126 222.521 6.662 8.613 987 HD3 LYS 126 HD1 LYS 126 223.024 6.829 6.930 988 HE2 LYS 126 HE2 LYS 126 224.856 5.862 8.063 989 HE3 LYS 126 HE1 LYS 126 225.279 7.555 7.811 990 HZ1 LYS 126 HZ1 LYS 126 225.063 8.035 10.024 991 HZ2 LYS 126 HZ2 LYS 126 225.624 6.442 10.120 992 HZ3 LYS 126 HZ3 LYS 126 223.977 6.771 10.324 993 H PHE 127 HN PHE 127 218.281 7.802 8.383 994 HA PHE 127 HA PHE 127 217.003 10.412 8.024 995 HB2 PHE 127 HB2 PHE 127 215.481 7.867 7.504 996 HB3 PHE 127 HB1 PHE 127 215.011 9.518 7.119 997 HD1 PHE 127 HD2 PHE 127 217.179 10.633 5.666 998 HD2 PHE 127 HD1 PHE 127 215.712 6.641 5.591 999 HE1 PHE 127 HE2 PHE 127 218.066 10.355 3.389 1000 HE2 PHE 127 HE1 PHE 127 216.595 6.354 3.314 1001 HZ PHE 127 HZ PHE 127 217.773 8.212 2.211 1002 H ILE 128 HN ILE 128 215.211 10.766 9.489 1003 HA ILE 128 HA ILE 128 215.400 9.060 11.881 1004 HB ILE 128 HB ILE 128 214.291 11.801 12.087 1005 HG12 ILE 128 HG12 ILE 128 217.265 11.241 11.956 1006 HG13 ILE 128 HG11 ILE 128 216.342 12.083 10.715 1007 HG21 ILE 128 HG21 ILE 128 215.937 11.449 14.191 1008 HG22 ILE 128 HG22 ILE 128 215.541 9.773 13.811 1009 HG23 ILE 128 HG23 ILE 128 214.253 10.925 14.161 1010 HD11 ILE 128 HD11 ILE 128 216.242 14.000 11.901 1011 HD12 ILE 128 HD12 ILE 128 217.710 13.340 12.623 1012 HD13 ILE 128 HD13 ILE 128 216.163 13.167 13.454 1013 H ILE 129 HN ILE 129 213.600 8.286 12.780 1014 HA ILE 129 HA ILE 129 211.069 8.801 11.376 1015 HB ILE 129 HB ILE 129 211.778 6.314 12.925 1016 HG12 ILE 129 HG12 ILE 129 213.295 6.429 11.057 1017 HG13 ILE 129 HG11 ILE 129 212.040 5.258 10.667 1018 HG21 ILE 129 HG21 ILE 129 209.381 6.867 12.651 1019 HG22 ILE 129 HG22 ILE 129 209.852 5.355 11.875 1020 HG23 ILE 129 HG23 ILE 129 209.607 6.806 10.903 1021 HD11 ILE 129 HD11 ILE 129 211.867 6.341 8.735 1022 HD12 ILE 129 HD12 ILE 129 212.763 7.735 9.338 1023 HD13 ILE 129 HD13 ILE 129 211.032 7.597 9.648 1024 H GLU 130 HN GLU 130 209.240 9.248 12.514 1025 HA GLU 130 HA GLU 130 209.338 9.166 15.437 1026 HB2 GLU 130 HB2 GLU 130 209.534 11.555 13.888 1027 HB3 GLU 130 HB1 GLU 130 207.970 11.554 14.692 1028 HG2 GLU 130 HG2 GLU 130 210.232 10.788 16.394 1029 HG3 GLU 130 HG1 GLU 130 210.275 12.444 15.793 1030 H SER 131 HN SER 131 207.825 7.559 15.560 1031 HA SER 131 HA SER 131 205.564 7.197 14.024 1032 HB2 SER 131 HB2 SER 131 206.591 5.713 15.897 1033 HB3 SER 131 HB1 SER 131 205.509 6.602 16.969 1034 HG SER 131 HG SER 131 203.909 5.470 16.230 1035 H GLU 132 HN GLU 132 204.018 8.617 13.598 1036 HA GLU 132 HA GLU 132 203.371 10.817 15.260 1037 HB2 GLU 132 HB2 GLU 132 202.977 10.315 12.663 1038 HB3 GLU 132 HB1 GLU 132 201.390 9.855 13.263 1039 HG2 GLU 132 HG2 GLU 132 202.580 12.475 14.051 1040 HG3 GLU 132 HG1 GLU 132 201.823 12.283 12.470 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 194.227 -6.174 10.965 2 H2 MET 1 HT2 MET 1 192.849 -5.309 11.512 3 H3 MET 1 HT3 MET 1 193.546 -6.529 12.498 4 HA MET 1 HA MET 1 194.197 -4.498 13.378 5 HB2 MET 1 HB2 MET 1 195.871 -6.445 12.868 6 HB3 MET 1 HB1 MET 1 196.564 -5.307 11.720 7 HG2 MET 1 HG2 MET 1 197.559 -4.127 13.321 8 HG3 MET 1 HG1 MET 1 196.122 -4.133 14.342 9 HE1 MET 1 HE1 MET 1 198.479 -6.425 12.697 10 HE2 MET 1 HE2 MET 1 198.213 -7.897 13.631 11 HE3 MET 1 HE3 MET 1 199.597 -6.864 13.989 12 H LYS 2 HN LYS 2 195.521 -2.499 13.073 13 HA LYS 2 HA LYS 2 195.230 -1.389 10.366 14 HB2 LYS 2 HB2 LYS 2 193.710 -0.644 12.588 15 HB3 LYS 2 HB1 LYS 2 194.917 0.625 12.430 16 HG2 LYS 2 HG2 LYS 2 193.899 0.059 9.843 17 HG3 LYS 2 HG1 LYS 2 192.533 0.244 10.944 18 HD2 LYS 2 HD2 LYS 2 192.786 2.445 10.615 19 HD3 LYS 2 HD1 LYS 2 194.183 2.310 11.685 20 HE2 LYS 2 HE2 LYS 2 195.678 2.459 9.976 21 HE3 LYS 2 HE1 LYS 2 194.602 1.674 8.821 22 HZ1 LYS 2 HZ1 LYS 2 194.676 4.499 9.657 23 HZ2 LYS 2 HZ2 LYS 2 193.248 3.836 9.039 24 HZ3 LYS 2 HZ3 LYS 2 194.651 3.848 8.095 25 HA PRO 3 HA PRO 3 199.498 -0.342 11.084 26 HB2 PRO 3 HB2 PRO 3 199.935 1.106 8.853 27 HB3 PRO 3 HB1 PRO 3 199.749 -0.652 8.812 28 HG2 PRO 3 HG2 PRO 3 197.744 1.481 8.183 29 HG3 PRO 3 HG1 PRO 3 198.081 -0.029 7.315 30 HD2 PRO 3 HD2 PRO 3 195.996 0.266 9.045 31 HD3 PRO 3 HD1 PRO 3 196.808 -1.285 8.756 32 H LYS 4 HN LYS 4 200.889 1.675 11.055 33 HA LYS 4 HA LYS 4 199.327 4.045 11.843 34 HB2 LYS 4 HB2 LYS 4 201.128 4.508 13.527 35 HB3 LYS 4 HB1 LYS 4 200.151 3.089 13.878 36 HG2 LYS 4 HG2 LYS 4 202.445 2.364 12.303 37 HG3 LYS 4 HG1 LYS 4 202.934 3.253 13.747 38 HD2 LYS 4 HD2 LYS 4 201.125 1.596 14.835 39 HD3 LYS 4 HD1 LYS 4 201.666 0.593 13.486 40 HE2 LYS 4 HE2 LYS 4 203.638 1.944 15.293 41 HE3 LYS 4 HE1 LYS 4 202.896 0.411 15.749 42 HZ1 LYS 4 HZ1 LYS 4 205.133 0.502 14.409 43 HZ2 LYS 4 HZ2 LYS 4 204.088 0.624 13.084 44 HZ3 LYS 4 HZ3 LYS 4 203.989 -0.711 14.118 45 H PHE 5 HN PHE 5 200.239 6.066 11.354 46 HA PHE 5 HA PHE 5 202.127 5.983 9.148 47 HB2 PHE 5 HB2 PHE 5 201.589 8.550 9.194 48 HB3 PHE 5 HB1 PHE 5 200.407 7.408 8.565 49 HD1 PHE 5 HD1 PHE 5 198.377 6.918 9.787 50 HD2 PHE 5 HD2 PHE 5 201.233 9.692 11.289 51 HE1 PHE 5 HE1 PHE 5 196.710 7.759 11.387 52 HE2 PHE 5 HE2 PHE 5 199.572 10.537 12.894 53 HZ PHE 5 HZ PHE 5 197.306 9.572 12.945 54 H PHE 6 HN PHE 6 203.712 7.951 9.077 55 HA PHE 6 HA PHE 6 204.757 8.753 11.652 56 HB2 PHE 6 HB2 PHE 6 206.990 7.546 10.266 57 HB3 PHE 6 HB1 PHE 6 206.475 7.354 11.930 58 HD1 PHE 6 HD1 PHE 6 204.856 5.557 12.512 59 HD2 PHE 6 HD2 PHE 6 206.547 5.921 8.625 60 HE1 PHE 6 HE1 PHE 6 204.217 3.233 12.019 61 HE2 PHE 6 HE2 PHE 6 205.908 3.601 8.122 62 HZ PHE 6 HZ PHE 6 204.739 2.252 9.821 63 H TYR 7 HN TYR 7 206.952 9.902 11.316 64 HA TYR 7 HA TYR 7 206.712 11.475 8.851 65 HB2 TYR 7 HB2 TYR 7 206.889 12.274 11.571 66 HB3 TYR 7 HB1 TYR 7 208.381 12.775 10.782 67 HD1 TYR 7 HD2 TYR 7 208.072 14.016 8.489 68 HD2 TYR 7 HD1 TYR 7 205.033 13.651 11.444 69 HE1 TYR 7 HE2 TYR 7 206.914 15.962 7.530 70 HE2 TYR 7 HE1 TYR 7 203.867 15.596 10.493 71 HH TYR 7 HH TYR 7 205.181 17.778 8.588 72 H ILE 8 HN ILE 8 208.281 11.272 7.396 73 HA ILE 8 HA ILE 8 210.824 10.076 8.265 74 HB ILE 8 HB ILE 8 210.662 10.102 5.423 75 HG12 ILE 8 HG12 ILE 8 208.196 10.265 5.755 76 HG13 ILE 8 HG11 ILE 8 208.691 8.762 4.986 77 HG21 ILE 8 HG21 ILE 8 211.092 7.797 5.632 78 HG22 ILE 8 HG22 ILE 8 210.329 7.718 7.220 79 HG23 ILE 8 HG23 ILE 8 211.869 8.555 7.022 80 HD11 ILE 8 HD11 ILE 8 207.087 9.087 7.255 81 HD12 ILE 8 HD12 ILE 8 208.612 8.407 7.822 82 HD13 ILE 8 HD13 ILE 8 207.693 7.583 6.562 83 H LYS 9 HN LYS 9 212.201 11.671 8.708 84 HA LYS 9 HA LYS 9 212.622 13.713 6.635 85 HB2 LYS 9 HB2 LYS 9 212.753 15.430 8.182 86 HB3 LYS 9 HB1 LYS 9 211.453 14.439 8.819 87 HG2 LYS 9 HG2 LYS 9 212.649 14.818 10.700 88 HG3 LYS 9 HG1 LYS 9 213.391 13.315 10.151 89 HD2 LYS 9 HD2 LYS 9 215.356 14.299 9.732 90 HD3 LYS 9 HD1 LYS 9 214.600 15.733 9.039 91 HE2 LYS 9 HE2 LYS 9 214.612 15.197 11.997 92 HE3 LYS 9 HE1 LYS 9 215.941 16.032 11.195 93 HZ1 LYS 9 HZ1 LYS 9 214.061 17.417 12.208 94 HZ2 LYS 9 HZ2 LYS 9 213.160 16.954 10.855 95 HZ3 LYS 9 HZ3 LYS 9 214.597 17.822 10.656 96 H SER 10 HN SER 10 214.611 13.789 5.822 97 HA SER 10 HA SER 10 216.613 12.029 6.367 98 HB2 SER 10 HB2 SER 10 216.707 13.369 4.382 99 HB3 SER 10 HB1 SER 10 216.809 14.858 5.322 100 HG SER 10 HG SER 10 218.760 12.823 5.055 101 H GLU 11 HN GLU 11 218.351 11.888 7.679 102 HA GLU 11 HA GLU 11 218.289 13.458 10.105 103 HB2 GLU 11 HB2 GLU 11 218.652 11.078 10.309 104 HB3 GLU 11 HB1 GLU 11 220.032 11.154 9.226 105 HG2 GLU 11 HG2 GLU 11 221.427 11.729 10.860 106 HG3 GLU 11 HG1 GLU 11 220.301 12.911 11.527 107 H LEU 12 HN LEU 12 219.788 13.738 7.107 108 HA LEU 12 HA LEU 12 222.179 15.040 8.124 109 HB2 LEU 12 HB2 LEU 12 222.401 13.608 6.177 110 HB3 LEU 12 HB1 LEU 12 221.203 14.550 5.312 111 HG LEU 12 HG LEU 12 222.692 16.461 5.232 112 HD11 LEU 12 HD11 LEU 12 224.022 16.598 7.056 113 HD12 LEU 12 HD12 LEU 12 225.162 15.773 5.993 114 HD13 LEU 12 HD13 LEU 12 224.231 14.850 7.173 115 HD21 LEU 12 HD21 LEU 12 222.857 14.566 3.558 116 HD22 LEU 12 HD22 LEU 12 224.297 14.047 4.435 117 HD23 LEU 12 HD23 LEU 12 224.255 15.636 3.672 118 H ASN 13 HN ASN 13 219.535 15.933 5.883 119 HA ASN 13 HA ASN 13 220.136 18.735 6.177 120 HB2 ASN 13 HB2 ASN 13 217.738 17.570 4.781 121 HB3 ASN 13 HB1 ASN 13 218.567 19.082 4.447 122 HD21 ASN 13 HD21 ASN 13 217.912 16.826 2.697 123 HD22 ASN 13 HD22 ASN 13 219.412 16.314 2.009 124 H GLY 14 HN GLY 14 218.053 16.461 7.701 125 HA2 GLY 14 HA2 GLY 14 216.643 16.763 9.506 126 HA3 GLY 14 HA1 GLY 14 217.043 18.474 9.479 127 H LYS 15 HN LYS 15 216.087 17.557 6.422 128 HA LYS 15 HA LYS 15 213.533 18.875 6.712 129 HB2 LYS 15 HB2 LYS 15 214.648 17.654 4.194 130 HB3 LYS 15 HB1 LYS 15 213.514 18.983 4.348 131 HG2 LYS 15 HG2 LYS 15 216.432 19.052 5.074 132 HG3 LYS 15 HG1 LYS 15 215.688 19.786 3.651 133 HD2 LYS 15 HD2 LYS 15 214.345 20.636 6.057 134 HD3 LYS 15 HD1 LYS 15 216.077 20.955 6.165 135 HE2 LYS 15 HE2 LYS 15 214.216 21.840 3.964 136 HE3 LYS 15 HE1 LYS 15 214.939 22.864 5.204 137 HZ1 LYS 15 HZ1 LYS 15 216.422 23.220 3.558 138 HZ2 LYS 15 HZ2 LYS 15 216.133 21.737 2.798 139 HZ3 LYS 15 HZ3 LYS 15 217.123 21.805 4.167 140 H VAL 16 HN VAL 16 211.579 17.859 5.575 141 HA VAL 16 HA VAL 16 211.504 15.003 6.236 142 HB VAL 16 HB VAL 16 209.018 15.327 6.272 143 HG11 VAL 16 HG11 VAL 16 210.955 16.426 8.192 144 HG12 VAL 16 HG12 VAL 16 209.669 15.242 8.425 145 HG13 VAL 16 HG13 VAL 16 209.289 16.964 8.409 146 HG21 VAL 16 HG21 VAL 16 209.716 18.261 6.254 147 HG22 VAL 16 HG22 VAL 16 208.107 17.553 6.397 148 HG23 VAL 16 HG23 VAL 16 209.012 17.388 4.893 149 H LEU 17 HN LEU 17 210.944 13.533 4.718 150 HA LEU 17 HA LEU 17 211.051 14.304 1.972 151 HB2 LEU 17 HB2 LEU 17 210.037 11.650 2.961 152 HB3 LEU 17 HB1 LEU 17 210.873 12.005 1.462 153 HG LEU 17 HG LEU 17 212.084 11.976 4.227 154 HD11 LEU 17 HD11 LEU 17 211.949 10.057 1.987 155 HD12 LEU 17 HD12 LEU 17 212.082 9.774 3.723 156 HD13 LEU 17 HD13 LEU 17 213.510 10.224 2.791 157 HD21 LEU 17 HD21 LEU 17 214.139 12.615 3.289 158 HD22 LEU 17 HD22 LEU 17 212.961 13.738 2.610 159 HD23 LEU 17 HD23 LEU 17 213.554 12.389 1.641 160 H ASP 18 HN ASP 18 209.395 14.580 0.494 161 HA ASP 18 HA ASP 18 206.655 14.067 1.392 162 HB2 ASP 18 HB2 ASP 18 207.246 16.444 1.892 163 HB3 ASP 18 HB1 ASP 18 207.544 16.691 0.174 164 H ILE 19 HN ILE 19 205.141 13.793 -0.281 165 HA ILE 19 HA ILE 19 206.365 13.111 -2.859 166 HB ILE 19 HB ILE 19 203.516 12.461 -2.318 167 HG12 ILE 19 HG12 ILE 19 205.831 11.038 -0.986 168 HG13 ILE 19 HG11 ILE 19 204.507 11.874 -0.182 169 HG21 ILE 19 HG21 ILE 19 205.606 10.624 -3.403 170 HG22 ILE 19 HG22 ILE 19 204.970 11.933 -4.398 171 HG23 ILE 19 HG23 ILE 19 203.881 10.698 -3.764 172 HD11 ILE 19 HD11 ILE 19 203.170 10.057 -1.701 173 HD12 ILE 19 HD12 ILE 19 203.615 9.838 -0.008 174 HD13 ILE 19 HD13 ILE 19 204.637 9.175 -1.282 175 H GLU 20 HN GLU 20 206.221 14.573 -4.434 176 HA GLU 20 HA GLU 20 204.604 16.865 -4.326 177 HB2 GLU 20 HB2 GLU 20 206.212 15.537 -6.478 178 HB3 GLU 20 HB1 GLU 20 205.160 16.887 -6.885 179 HG2 GLU 20 HG2 GLU 20 206.893 17.355 -4.572 180 HG3 GLU 20 HG1 GLU 20 207.747 17.103 -6.094 181 H GLY 21 HN GLY 21 202.453 16.451 -4.056 182 HA2 GLY 21 HA2 GLY 21 200.727 16.250 -6.118 183 HA3 GLY 21 HA1 GLY 21 201.077 14.564 -5.764 184 H GLN 22 HN GLN 22 201.258 14.621 -2.996 185 HA GLN 22 HA GLN 22 199.913 14.339 -1.187 186 HB2 GLN 22 HB2 GLN 22 200.251 16.842 -1.257 187 HB3 GLN 22 HB1 GLN 22 198.677 16.960 -2.031 188 HG2 GLN 22 HG2 GLN 22 197.618 15.975 -0.086 189 HG3 GLN 22 HG1 GLN 22 199.189 15.771 0.687 190 HE21 GLN 22 HE21 GLN 22 200.343 17.639 1.338 191 HE22 GLN 22 HE22 GLN 22 199.520 19.125 1.652 192 H ASN 23 HN ASN 23 198.992 12.846 -3.235 193 HA ASN 23 HA ASN 23 196.314 12.381 -2.556 194 HB2 ASN 23 HB2 ASN 23 196.622 14.459 -4.460 195 HB3 ASN 23 HB1 ASN 23 195.993 13.061 -5.327 196 HD21 ASN 23 HD21 ASN 23 194.102 14.400 -5.612 197 HD22 ASN 23 HD22 ASN 23 192.914 14.470 -4.359 198 HA PRO 24 HA PRO 24 196.871 8.537 -4.636 199 HB2 PRO 24 HB2 PRO 24 194.531 8.910 -6.401 200 HB3 PRO 24 HB1 PRO 24 194.826 7.680 -5.169 201 HG2 PRO 24 HG2 PRO 24 193.052 9.645 -4.775 202 HG3 PRO 24 HG1 PRO 24 194.056 9.025 -3.452 203 HD2 PRO 24 HD2 PRO 24 194.371 11.534 -5.056 204 HD3 PRO 24 HD1 PRO 24 194.596 11.275 -3.313 205 H ALA 25 HN ALA 25 196.722 11.377 -6.541 206 HA ALA 25 HA ALA 25 196.966 10.645 -9.140 207 HB1 ALA 25 HB1 ALA 25 197.257 12.961 -7.916 208 HB2 ALA 25 HB2 ALA 25 197.886 12.695 -9.542 209 HB3 ALA 25 HB3 ALA 25 198.968 12.606 -8.152 210 HA PRO 26 HA PRO 26 200.547 7.870 -8.732 211 HB2 PRO 26 HB2 PRO 26 200.131 6.525 -11.026 212 HB3 PRO 26 HB1 PRO 26 199.198 6.199 -9.559 213 HG2 PRO 26 HG2 PRO 26 198.460 7.863 -11.935 214 HG3 PRO 26 HG1 PRO 26 197.485 6.663 -11.065 215 HD2 PRO 26 HD2 PRO 26 197.232 9.328 -10.649 216 HD3 PRO 26 HD1 PRO 26 196.971 8.130 -9.364 217 H GLY 27 HN GLY 27 202.598 8.005 -9.589 218 HA2 GLY 27 HA2 GLY 27 204.132 8.437 -11.365 219 HA3 GLY 27 HA1 GLY 27 202.929 9.479 -12.108 220 H SER 28 HN SER 28 203.018 10.072 -8.815 221 HA SER 28 HA SER 28 204.236 12.630 -9.221 222 HB2 SER 28 HB2 SER 28 202.993 11.225 -6.874 223 HB3 SER 28 HB1 SER 28 203.888 12.728 -6.644 224 HG SER 28 HG SER 28 201.421 12.297 -7.789 225 H LYS 29 HN LYS 29 206.196 13.336 -8.615 226 HA LYS 29 HA LYS 29 208.206 11.364 -7.984 227 HB2 LYS 29 HB2 LYS 29 208.555 14.346 -8.304 228 HB3 LYS 29 HB1 LYS 29 209.793 13.108 -8.421 229 HG2 LYS 29 HG2 LYS 29 207.514 13.547 -10.333 230 HG3 LYS 29 HG1 LYS 29 209.220 13.900 -10.619 231 HD2 LYS 29 HD2 LYS 29 209.500 11.347 -10.035 232 HD3 LYS 29 HD1 LYS 29 207.806 11.278 -10.525 233 HE2 LYS 29 HE2 LYS 29 209.270 12.830 -12.427 234 HE3 LYS 29 HE1 LYS 29 210.104 11.299 -12.168 235 HZ1 LYS 29 HZ1 LYS 29 207.202 11.476 -12.743 236 HZ2 LYS 29 HZ2 LYS 29 208.181 10.097 -12.774 237 HZ3 LYS 29 HZ3 LYS 29 208.372 11.295 -13.953 238 H ILE 30 HN ILE 30 209.733 11.659 -6.220 239 HA ILE 30 HA ILE 30 208.459 12.979 -3.905 240 HB ILE 30 HB ILE 30 209.561 11.323 -2.467 241 HG12 ILE 30 HG12 ILE 30 210.326 9.953 -5.055 242 HG13 ILE 30 HG11 ILE 30 211.451 10.824 -4.019 243 HG21 ILE 30 HG21 ILE 30 207.532 10.705 -4.495 244 HG22 ILE 30 HG22 ILE 30 207.478 10.526 -2.742 245 HG23 ILE 30 HG23 ILE 30 208.263 9.294 -3.730 246 HD11 ILE 30 HD11 ILE 30 210.159 9.008 -2.345 247 HD12 ILE 30 HD12 ILE 30 211.812 8.922 -2.955 248 HD13 ILE 30 HD13 ILE 30 210.507 8.126 -3.830 249 H ILE 31 HN ILE 31 209.713 14.143 -2.459 250 HA ILE 31 HA ILE 31 212.568 14.385 -2.831 251 HB ILE 31 HB ILE 31 212.694 16.667 -3.391 252 HG12 ILE 31 HG12 ILE 31 210.715 17.363 -2.006 253 HG13 ILE 31 HG11 ILE 31 210.848 18.176 -3.559 254 HG21 ILE 31 HG21 ILE 31 210.570 15.466 -5.158 255 HG22 ILE 31 HG22 ILE 31 212.302 15.160 -5.281 256 HG23 ILE 31 HG23 ILE 31 211.669 16.777 -5.584 257 HD11 ILE 31 HD11 ILE 31 208.966 15.961 -2.814 258 HD12 ILE 31 HD12 ILE 31 209.178 16.564 -4.458 259 HD13 ILE 31 HD13 ILE 31 208.567 17.636 -3.197 260 H THR 32 HN THR 32 213.291 16.394 -1.378 261 HA THR 32 HA THR 32 211.977 15.925 1.212 262 HB THR 32 HB THR 32 214.002 16.300 2.276 263 HG1 THR 32 HG1 THR 32 214.629 18.246 1.493 264 HG21 THR 32 HG21 THR 32 214.095 14.536 0.152 265 HG22 THR 32 HG22 THR 32 215.225 14.627 1.504 266 HG23 THR 32 HG23 THR 32 215.575 15.483 0.002 267 H TRP 33 HN TRP 33 211.515 17.689 2.624 268 HA TRP 33 HA TRP 33 211.820 20.392 1.639 269 HB2 TRP 33 HB2 TRP 33 209.723 19.399 0.555 270 HB3 TRP 33 HB1 TRP 33 209.019 19.408 2.169 271 HD1 TRP 33 HD1 TRP 33 207.522 21.441 2.504 272 HE1 TRP 33 HE1 TRP 33 207.526 23.896 1.730 273 HE3 TRP 33 HE3 TRP 33 211.787 21.398 -0.316 274 HZ2 TRP 33 HZ2 TRP 33 209.125 25.589 0.137 275 HZ3 TRP 33 HZ3 TRP 33 212.484 23.477 -1.432 276 HH2 TRP 33 HH2 TRP 33 211.178 25.529 -1.210 277 H ASP 34 HN ASP 34 210.723 21.970 3.222 278 HA ASP 34 HA ASP 34 211.653 21.339 5.843 279 HB2 ASP 34 HB2 ASP 34 209.958 23.690 4.975 280 HB3 ASP 34 HB1 ASP 34 210.924 23.575 6.443 281 H GLN 35 HN GLN 35 210.549 20.765 7.646 282 HA GLN 35 HA GLN 35 208.135 19.397 7.444 283 HB2 GLN 35 HB2 GLN 35 209.994 19.484 9.327 284 HB3 GLN 35 HB1 GLN 35 208.887 20.643 10.049 285 HG2 GLN 35 HG2 GLN 35 207.296 19.075 10.478 286 HG3 GLN 35 HG1 GLN 35 207.772 18.058 9.118 287 HE21 GLN 35 HE21 GLN 35 207.568 18.034 12.306 288 HE22 GLN 35 HE22 GLN 35 208.908 17.025 12.720 289 H LYS 36 HN LYS 36 206.031 19.935 7.637 290 HA LYS 36 HA LYS 36 205.417 22.786 8.043 291 HB2 LYS 36 HB2 LYS 36 204.353 20.716 6.219 292 HB3 LYS 36 HB1 LYS 36 203.156 21.792 6.927 293 HG2 LYS 36 HG2 LYS 36 203.629 23.109 5.186 294 HG3 LYS 36 HG1 LYS 36 205.051 23.564 6.127 295 HD2 LYS 36 HD2 LYS 36 205.844 23.015 3.968 296 HD3 LYS 36 HD1 LYS 36 206.249 21.640 4.999 297 HE2 LYS 36 HE2 LYS 36 203.876 20.801 4.159 298 HE3 LYS 36 HE1 LYS 36 204.260 21.858 2.802 299 HZ1 LYS 36 HZ1 LYS 36 205.044 19.304 3.002 300 HZ2 LYS 36 HZ2 LYS 36 206.407 20.098 3.611 301 HZ3 LYS 36 HZ3 LYS 36 205.835 20.469 2.063 302 H LYS 37 HN LYS 37 203.161 23.164 8.932 303 HA LYS 37 HA LYS 37 202.486 21.153 10.972 304 HB2 LYS 37 HB2 LYS 37 201.989 23.049 12.528 305 HB3 LYS 37 HB1 LYS 37 203.693 22.866 12.134 306 HG2 LYS 37 HG2 LYS 37 203.792 24.947 11.391 307 HG3 LYS 37 HG1 LYS 37 202.471 24.648 10.260 308 HD2 LYS 37 HD2 LYS 37 200.852 25.368 11.768 309 HD3 LYS 37 HD1 LYS 37 201.912 25.143 13.161 310 HE2 LYS 37 HE2 LYS 37 203.091 27.098 12.739 311 HE3 LYS 37 HE1 LYS 37 202.596 27.147 11.047 312 HZ1 LYS 37 HZ1 LYS 37 201.205 28.101 13.416 313 HZ2 LYS 37 HZ2 LYS 37 200.239 27.370 12.235 314 HZ3 LYS 37 HZ3 LYS 37 201.196 28.706 11.836 315 H GLY 38 HN GLY 38 200.594 20.385 10.207 316 HA2 GLY 38 HA2 GLY 38 198.200 21.654 10.526 317 HA3 GLY 38 HA1 GLY 38 198.676 22.073 8.887 318 HA PRO 39 HA PRO 39 196.496 17.997 8.691 319 HB2 PRO 39 HB2 PRO 39 194.554 18.654 6.984 320 HB3 PRO 39 HB1 PRO 39 194.445 19.056 8.703 321 HG2 PRO 39 HG2 PRO 39 195.216 20.793 6.395 322 HG3 PRO 39 HG1 PRO 39 194.171 21.166 7.777 323 HD2 PRO 39 HD2 PRO 39 196.813 21.909 7.589 324 HD3 PRO 39 HD1 PRO 39 195.942 21.699 9.121 325 H THR 40 HN THR 40 198.493 19.726 6.770 326 HA THR 40 HA THR 40 198.152 17.956 4.447 327 HB THR 40 HB THR 40 199.878 19.777 3.520 328 HG1 THR 40 HG1 THR 40 198.313 21.245 5.369 329 HG21 THR 40 HG21 THR 40 196.929 20.328 3.742 330 HG22 THR 40 HG22 THR 40 197.693 19.307 2.524 331 HG23 THR 40 HG23 THR 40 198.046 21.034 2.574 332 H ALA 41 HN ALA 41 199.632 17.583 7.125 333 HA ALA 41 HA ALA 41 202.393 17.345 6.318 334 HB1 ALA 41 HB1 ALA 41 200.869 16.852 8.831 335 HB2 ALA 41 HB2 ALA 41 202.274 17.879 8.547 336 HB3 ALA 41 HB3 ALA 41 202.465 16.128 8.634 337 H VAL 42 HN VAL 42 199.593 15.389 6.192 338 HA VAL 42 HA VAL 42 200.505 12.787 6.477 339 HB VAL 42 HB VAL 42 198.478 13.931 4.543 340 HG11 VAL 42 HG11 VAL 42 197.908 11.221 5.141 341 HG12 VAL 42 HG12 VAL 42 199.573 11.309 4.571 342 HG13 VAL 42 HG13 VAL 42 198.267 11.950 3.577 343 HG21 VAL 42 HG21 VAL 42 197.039 12.603 6.364 344 HG22 VAL 42 HG22 VAL 42 197.489 14.299 6.542 345 HG23 VAL 42 HG23 VAL 42 198.424 13.048 7.361 346 H ASN 43 HN ASN 43 201.010 15.048 3.846 347 HA ASN 43 HA ASN 43 201.899 13.176 1.932 348 HB2 ASN 43 HB2 ASN 43 201.175 15.633 1.598 349 HB3 ASN 43 HB1 ASN 43 202.838 16.031 2.019 350 HD21 ASN 43 HD21 ASN 43 202.031 16.818 -0.365 351 HD22 ASN 43 HD22 ASN 43 202.693 15.836 -1.622 352 H GLN 44 HN GLN 44 203.331 14.178 4.798 353 HA GLN 44 HA GLN 44 206.001 13.399 3.838 354 HB2 GLN 44 HB2 GLN 44 205.113 15.323 5.973 355 HB3 GLN 44 HB1 GLN 44 206.716 14.615 6.003 356 HG2 GLN 44 HG2 GLN 44 207.465 16.052 4.496 357 HG3 GLN 44 HG1 GLN 44 206.140 15.674 3.396 358 HE21 GLN 44 HE21 GLN 44 203.974 16.636 4.213 359 HE22 GLN 44 HE22 GLN 44 204.043 18.299 4.674 360 H LEU 45 HN LEU 45 203.422 12.155 5.175 361 HA LEU 45 HA LEU 45 204.890 10.605 7.184 362 HB2 LEU 45 HB2 LEU 45 202.011 11.391 7.051 363 HB3 LEU 45 HB1 LEU 45 202.573 10.146 8.097 364 HG LEU 45 HG LEU 45 204.234 12.359 8.589 365 HD11 LEU 45 HD11 LEU 45 201.773 13.243 7.589 366 HD12 LEU 45 HD12 LEU 45 203.020 14.193 8.388 367 HD13 LEU 45 HD13 LEU 45 201.711 13.481 9.331 368 HD21 LEU 45 HD21 LEU 45 201.947 11.668 10.364 369 HD22 LEU 45 HD22 LEU 45 203.634 11.988 10.768 370 HD23 LEU 45 HD23 LEU 45 203.177 10.445 10.046 371 H TRP 46 HN TRP 46 204.787 8.424 7.165 372 HA TRP 46 HA TRP 46 203.183 7.152 5.070 373 HB2 TRP 46 HB2 TRP 46 206.082 6.628 5.710 374 HB3 TRP 46 HB1 TRP 46 205.103 5.681 4.601 375 HD1 TRP 46 HD1 TRP 46 205.943 9.470 4.959 376 HE1 TRP 46 HE1 TRP 46 206.442 10.380 2.602 377 HE3 TRP 46 HE3 TRP 46 205.196 5.194 2.258 378 HZ2 TRP 46 HZ2 TRP 46 206.503 9.415 -0.051 379 HZ3 TRP 46 HZ3 TRP 46 205.486 5.273 -0.180 380 HH2 TRP 46 HH2 TRP 46 206.127 7.340 -1.313 381 H TYR 47 HN TYR 47 203.120 4.740 5.382 382 HA TYR 47 HA TYR 47 203.424 3.946 8.165 383 HB2 TYR 47 HB2 TYR 47 201.158 2.940 8.214 384 HB3 TYR 47 HB1 TYR 47 201.136 4.692 8.102 385 HD1 TYR 47 HD2 TYR 47 200.639 1.574 6.175 386 HD2 TYR 47 HD1 TYR 47 200.063 5.785 6.315 387 HE1 TYR 47 HE2 TYR 47 199.119 1.425 4.248 388 HE2 TYR 47 HE1 TYR 47 198.534 5.647 4.393 389 HH TYR 47 HH TYR 47 197.032 3.107 3.417 390 H THR 48 HN THR 48 203.111 1.518 8.407 391 HA THR 48 HA THR 48 204.253 0.222 6.031 392 HB THR 48 HB THR 48 205.045 -1.515 7.650 393 HG1 THR 48 HG1 THR 48 204.189 0.343 9.610 394 HG21 THR 48 HG21 THR 48 206.525 0.232 9.002 395 HG22 THR 48 HG22 THR 48 205.930 1.298 7.730 396 HG23 THR 48 HG23 THR 48 206.819 -0.166 7.309 397 H ASP 49 HN ASP 49 203.248 -1.412 5.028 398 HA ASP 49 HA ASP 49 200.550 -2.019 5.799 399 HB2 ASP 49 HB2 ASP 49 201.317 -1.800 3.421 400 HB3 ASP 49 HB1 ASP 49 202.197 -3.312 3.616 401 H GLN 50 HN GLN 50 199.775 -4.316 5.850 402 HA GLN 50 HA GLN 50 200.955 -5.698 7.983 403 HB2 GLN 50 HB2 GLN 50 199.343 -7.461 7.517 404 HB3 GLN 50 HB1 GLN 50 198.578 -5.882 7.399 405 HG2 GLN 50 HG2 GLN 50 197.915 -6.312 5.339 406 HG3 GLN 50 HG1 GLN 50 199.574 -6.627 4.834 407 HE21 GLN 50 HE21 GLN 50 198.811 -8.245 3.426 408 HE22 GLN 50 HE22 GLN 50 198.343 -9.800 4.017 409 H GLN 51 HN GLN 51 201.514 -5.855 4.570 410 HA GLN 51 HA GLN 51 202.946 -8.383 4.762 411 HB2 GLN 51 HB2 GLN 51 202.246 -6.566 2.465 412 HB3 GLN 51 HB1 GLN 51 203.346 -7.925 2.276 413 HG2 GLN 51 HG2 GLN 51 200.814 -8.591 3.584 414 HG3 GLN 51 HG1 GLN 51 200.658 -8.028 1.921 415 HE21 GLN 51 HE21 GLN 51 202.897 -10.104 3.739 416 HE22 GLN 51 HE22 GLN 51 202.875 -11.408 2.606 417 H GLY 52 HN GLY 52 203.669 -5.211 5.386 418 HA2 GLY 52 HA2 GLY 52 205.829 -4.547 6.113 419 HA3 GLY 52 HA1 GLY 52 206.529 -5.756 5.048 420 H VAL 53 HN VAL 53 204.070 -3.967 3.533 421 HA VAL 53 HA VAL 53 206.090 -2.447 2.056 422 HB VAL 53 HB VAL 53 203.198 -2.919 1.326 423 HG11 VAL 53 HG11 VAL 53 204.054 -2.325 -0.958 424 HG12 VAL 53 HG12 VAL 53 205.552 -1.810 -0.182 425 HG13 VAL 53 HG13 VAL 53 204.033 -1.001 0.207 426 HG21 VAL 53 HG21 VAL 53 205.658 -4.394 0.390 427 HG22 VAL 53 HG22 VAL 53 204.021 -4.619 -0.227 428 HG23 VAL 53 HG23 VAL 53 204.399 -5.042 1.443 429 H ILE 54 HN ILE 54 206.300 -0.342 2.469 430 HA ILE 54 HA ILE 54 204.471 0.997 4.203 431 HB ILE 54 HB ILE 54 205.935 3.045 3.537 432 HG12 ILE 54 HG12 ILE 54 208.128 1.153 3.034 433 HG13 ILE 54 HG11 ILE 54 206.970 1.294 1.714 434 HG21 ILE 54 HG21 ILE 54 206.460 0.773 5.325 435 HG22 ILE 54 HG22 ILE 54 206.293 2.492 5.682 436 HG23 ILE 54 HG23 ILE 54 207.815 1.867 5.047 437 HD11 ILE 54 HD11 ILE 54 207.415 3.904 2.369 438 HD12 ILE 54 HD12 ILE 54 208.215 3.021 1.068 439 HD13 ILE 54 HD13 ILE 54 208.994 3.168 2.644 440 H ARG 55 HN ARG 55 203.230 2.787 3.792 441 HA ARG 55 HA ARG 55 202.839 3.706 1.070 442 HB2 ARG 55 HB2 ARG 55 200.422 2.780 2.601 443 HB3 ARG 55 HB1 ARG 55 200.545 3.186 0.900 444 HG2 ARG 55 HG2 ARG 55 201.938 0.819 2.114 445 HG3 ARG 55 HG1 ARG 55 200.307 0.744 1.445 446 HD2 ARG 55 HD2 ARG 55 202.461 1.928 -0.227 447 HD3 ARG 55 HD1 ARG 55 202.439 0.178 -0.014 448 HE ARG 55 HE ARG 55 200.703 1.706 -1.651 449 HH11 ARG 55 HH11 ARG 55 200.759 -1.087 0.438 450 HH12 ARG 55 HH12 ARG 55 199.446 -1.874 -0.371 451 HH21 ARG 55 HH21 ARG 55 198.977 0.674 -2.717 452 HH22 ARG 55 HH22 ARG 55 198.435 -0.876 -2.164 453 H SER 56 HN SER 56 202.337 5.839 1.045 454 HA SER 56 HA SER 56 202.597 7.369 3.355 455 HB2 SER 56 HB2 SER 56 201.157 9.006 1.641 456 HB3 SER 56 HB1 SER 56 202.912 8.844 1.689 457 HG SER 56 HG SER 56 201.157 8.038 -0.217 458 H LYS 57 HN LYS 57 201.290 8.390 4.705 459 HA LYS 57 HA LYS 57 198.958 7.180 5.532 460 HB2 LYS 57 HB2 LYS 57 200.469 8.798 6.783 461 HB3 LYS 57 HB1 LYS 57 199.565 10.084 5.998 462 HG2 LYS 57 HG2 LYS 57 197.503 8.812 6.929 463 HG3 LYS 57 HG1 LYS 57 198.685 8.130 8.046 464 HD2 LYS 57 HD2 LYS 57 199.087 10.149 9.068 465 HD3 LYS 57 HD1 LYS 57 198.652 11.079 7.633 466 HE2 LYS 57 HE2 LYS 57 196.268 10.246 8.043 467 HE3 LYS 57 HE1 LYS 57 196.843 9.771 9.641 468 HZ1 LYS 57 HZ1 LYS 57 196.338 12.419 8.564 469 HZ2 LYS 57 HZ2 LYS 57 197.722 12.276 9.527 470 HZ3 LYS 57 HZ3 LYS 57 196.209 11.852 10.153 471 H LEU 58 HN LEU 58 199.412 9.470 2.993 472 HA LEU 58 HA LEU 58 196.898 10.674 2.890 473 HB2 LEU 58 HB2 LEU 58 197.389 11.122 0.541 474 HB3 LEU 58 HB1 LEU 58 198.769 11.460 1.568 475 HG LEU 58 HG LEU 58 199.344 8.923 0.837 476 HD11 LEU 58 HD11 LEU 58 198.400 9.993 -1.759 477 HD12 LEU 58 HD12 LEU 58 197.202 9.255 -0.695 478 HD13 LEU 58 HD13 LEU 58 198.604 8.325 -1.225 479 HD21 LEU 58 HD21 LEU 58 199.994 11.458 -0.659 480 HD22 LEU 58 HD22 LEU 58 200.856 9.929 -0.838 481 HD23 LEU 58 HD23 LEU 58 200.879 10.779 0.707 482 H ASN 59 HN ASN 59 198.032 7.623 1.505 483 HA ASN 59 HA ASN 59 195.548 6.358 1.650 484 HB2 ASN 59 HB2 ASN 59 195.545 8.167 -0.433 485 HB3 ASN 59 HB1 ASN 59 195.965 6.656 -1.234 486 HD21 ASN 59 HD21 ASN 59 193.485 8.490 -0.916 487 HD22 ASN 59 HD22 ASN 59 192.206 7.357 -0.662 488 H ASP 60 HN ASP 60 195.542 4.408 -0.064 489 HA ASP 60 HA ASP 60 197.885 2.909 0.541 490 HB2 ASP 60 HB2 ASP 60 195.428 2.363 -1.110 491 HB3 ASP 60 HB1 ASP 60 196.767 1.220 -1.059 492 H PHE 61 HN PHE 61 199.569 4.146 -0.420 493 HA PHE 61 HA PHE 61 199.978 3.477 -3.224 494 HB2 PHE 61 HB2 PHE 61 199.485 6.187 -2.225 495 HB3 PHE 61 HB1 PHE 61 200.970 6.048 -3.159 496 HD1 PHE 61 HD1 PHE 61 197.352 5.192 -3.292 497 HD2 PHE 61 HD2 PHE 61 200.887 6.135 -5.467 498 HE1 PHE 61 HE1 PHE 61 196.044 5.279 -5.374 499 HE2 PHE 61 HE2 PHE 61 199.584 6.223 -7.553 500 HZ PHE 61 HZ PHE 61 197.160 5.795 -7.508 501 H ALA 62 HN ALA 62 201.926 2.643 -3.460 502 HA ALA 62 HA ALA 62 203.990 3.275 -1.455 503 HB1 ALA 62 HB1 ALA 62 203.999 1.046 -1.233 504 HB2 ALA 62 HB2 ALA 62 204.902 1.043 -2.747 505 HB3 ALA 62 HB3 ALA 62 203.156 0.796 -2.761 506 H ILE 63 HN ILE 63 206.165 3.562 -2.144 507 HA ILE 63 HA ILE 63 206.383 4.976 -4.643 508 HB ILE 63 HB ILE 63 208.883 4.317 -3.217 509 HG12 ILE 63 HG12 ILE 63 207.913 6.508 -1.769 510 HG13 ILE 63 HG11 ILE 63 206.601 5.339 -1.743 511 HG21 ILE 63 HG21 ILE 63 207.656 6.826 -4.337 512 HG22 ILE 63 HG22 ILE 63 208.935 5.842 -5.047 513 HG23 ILE 63 HG23 ILE 63 209.242 6.755 -3.572 514 HD11 ILE 63 HD11 ILE 63 207.786 4.722 0.113 515 HD12 ILE 63 HD12 ILE 63 209.340 5.148 -0.605 516 HD13 ILE 63 HD13 ILE 63 208.514 3.672 -1.102 517 H ASP 64 HN ASP 64 207.858 4.472 -6.348 518 HA ASP 64 HA ASP 64 208.776 1.692 -6.395 519 HB2 ASP 64 HB2 ASP 64 207.903 1.277 -8.562 520 HB3 ASP 64 HB1 ASP 64 206.590 1.955 -7.605 521 H ALA 65 HN ALA 65 210.703 1.357 -7.190 522 HA ALA 65 HA ALA 65 212.212 3.678 -8.179 523 HB1 ALA 65 HB1 ALA 65 214.102 1.770 -7.878 524 HB2 ALA 65 HB2 ALA 65 212.918 1.256 -6.677 525 HB3 ALA 65 HB3 ALA 65 213.599 2.881 -6.605 526 H SER 66 HN SER 66 210.440 2.643 -10.014 527 HA SER 66 HA SER 66 211.697 0.757 -11.758 528 HB2 SER 66 HB2 SER 66 209.168 1.323 -11.502 529 HB3 SER 66 HB1 SER 66 209.518 2.626 -12.638 530 HG SER 66 HG SER 66 210.482 0.880 -13.968 531 H HIS 67 HN HIS 67 211.278 4.271 -11.784 532 HA HIS 67 HA HIS 67 212.984 4.475 -14.147 533 HB2 HIS 67 HB2 HIS 67 211.260 6.479 -12.691 534 HB3 HIS 67 HB1 HIS 67 212.329 6.911 -14.016 535 HD1 HIS 67 HD1 HIS 67 209.434 7.473 -14.454 536 HD2 HIS 67 HD2 HIS 67 211.145 3.800 -15.377 537 HE1 HIS 67 HE1 HIS 67 207.910 6.432 -16.161 538 HE2 HIS 67 HE2 HIS 67 208.919 4.173 -16.640 539 H GLU 68 HN GLU 68 214.509 6.460 -14.079 540 HA GLU 68 HA GLU 68 216.606 5.984 -12.389 541 HB2 GLU 68 HB2 GLU 68 215.915 8.721 -13.456 542 HB3 GLU 68 HB1 GLU 68 217.513 8.105 -13.058 543 HG2 GLU 68 HG2 GLU 68 216.682 6.288 -14.897 544 HG3 GLU 68 HG1 GLU 68 215.904 7.759 -15.477 545 H GLN 69 HN GLN 69 214.062 8.424 -11.950 546 HA GLN 69 HA GLN 69 214.988 8.880 -9.216 547 HB2 GLN 69 HB2 GLN 69 212.729 10.385 -10.477 548 HB3 GLN 69 HB1 GLN 69 213.899 10.923 -9.287 549 HG2 GLN 69 HG2 GLN 69 215.606 11.124 -10.938 550 HG3 GLN 69 HG1 GLN 69 214.586 10.357 -12.154 551 HE21 GLN 69 HE21 GLN 69 212.623 11.501 -12.772 552 HE22 GLN 69 HE22 GLN 69 212.625 13.229 -12.769 553 H ILE 70 HN ILE 70 213.625 8.571 -7.436 554 HA ILE 70 HA ILE 70 211.701 6.486 -7.764 555 HB ILE 70 HB ILE 70 211.888 8.000 -5.197 556 HG12 ILE 70 HG12 ILE 70 214.212 7.777 -5.927 557 HG13 ILE 70 HG11 ILE 70 213.882 6.704 -4.576 558 HG21 ILE 70 HG21 ILE 70 212.083 5.091 -5.215 559 HG22 ILE 70 HG22 ILE 70 210.626 5.697 -6.001 560 HG23 ILE 70 HG23 ILE 70 210.980 6.147 -4.333 561 HD11 ILE 70 HD11 ILE 70 214.655 6.091 -7.324 562 HD12 ILE 70 HD12 ILE 70 213.351 5.088 -6.688 563 HD13 ILE 70 HD13 ILE 70 214.895 5.170 -5.840 564 H GLU 71 HN GLU 71 209.566 6.512 -7.664 565 HA GLU 71 HA GLU 71 208.149 9.038 -7.218 566 HB2 GLU 71 HB2 GLU 71 206.716 8.580 -9.220 567 HB3 GLU 71 HB1 GLU 71 208.381 8.999 -9.601 568 HG2 GLU 71 HG2 GLU 71 208.487 6.271 -9.440 569 HG3 GLU 71 HG1 GLU 71 206.891 6.553 -10.132 570 H THR 72 HN THR 72 205.735 8.663 -7.113 571 HA THR 72 HA THR 72 205.259 6.155 -5.661 572 HB THR 72 HB THR 72 203.364 7.380 -4.602 573 HG1 THR 72 HG1 THR 72 202.804 9.222 -5.392 574 HG21 THR 72 HG21 THR 72 204.673 8.832 -3.176 575 HG22 THR 72 HG22 THR 72 206.013 8.777 -4.320 576 HG23 THR 72 HG23 THR 72 205.523 7.315 -3.465 577 H GLN 73 HN GLN 73 203.602 4.821 -6.151 578 HA GLN 73 HA GLN 73 201.505 5.558 -7.967 579 HB2 GLN 73 HB2 GLN 73 202.557 3.204 -9.170 580 HB3 GLN 73 HB1 GLN 73 202.332 4.785 -9.894 581 HG2 GLN 73 HG2 GLN 73 204.740 4.671 -8.283 582 HG3 GLN 73 HG1 GLN 73 204.717 3.441 -9.541 583 HE21 GLN 73 HE21 GLN 73 205.784 4.093 -11.249 584 HE22 GLN 73 HE22 GLN 73 205.761 5.682 -11.925 585 HA PRO 74 HA PRO 74 199.339 2.228 -6.046 586 HB2 PRO 74 HB2 PRO 74 198.703 0.853 -8.568 587 HB3 PRO 74 HB1 PRO 74 197.620 1.649 -7.424 588 HG2 PRO 74 HG2 PRO 74 198.142 2.697 -9.844 589 HG3 PRO 74 HG1 PRO 74 197.873 3.717 -8.418 590 HD2 PRO 74 HD2 PRO 74 200.451 2.943 -9.736 591 HD3 PRO 74 HD1 PRO 74 199.950 4.515 -9.080 592 H PHE 75 HN PHE 75 199.836 0.302 -5.100 593 HA PHE 75 HA PHE 75 202.253 -0.993 -5.704 594 HB2 PHE 75 HB2 PHE 75 201.263 -1.027 -3.466 595 HB3 PHE 75 HB1 PHE 75 199.902 -1.968 -4.066 596 HD1 PHE 75 HD2 PHE 75 200.242 -4.308 -4.783 597 HD2 PHE 75 HD1 PHE 75 203.330 -2.048 -2.921 598 HE1 PHE 75 HE2 PHE 75 201.460 -6.388 -4.288 599 HE2 PHE 75 HE1 PHE 75 204.554 -4.123 -2.423 600 HZ PHE 75 HZ PHE 75 203.619 -6.297 -3.106 601 H ASP 76 HN ASP 76 202.758 -2.572 -7.082 602 HA ASP 76 HA ASP 76 200.561 -4.080 -8.337 603 HB2 ASP 76 HB2 ASP 76 202.416 -2.354 -9.579 604 HB3 ASP 76 HB1 ASP 76 202.893 -3.990 -10.022 605 HA PRO 77 HA PRO 77 202.603 -7.609 -6.521 606 HB2 PRO 77 HB2 PRO 77 201.172 -9.069 -8.674 607 HB3 PRO 77 HB1 PRO 77 201.164 -9.345 -6.929 608 HG2 PRO 77 HG2 PRO 77 199.068 -8.235 -8.145 609 HG3 PRO 77 HG1 PRO 77 199.591 -7.689 -6.540 610 HD2 PRO 77 HD2 PRO 77 200.001 -6.405 -9.208 611 HD3 PRO 77 HD1 PRO 77 199.653 -5.657 -7.636 612 H ASN 78 HN ASN 78 202.494 -7.129 -10.031 613 HA ASN 78 HA ASN 78 204.778 -8.860 -10.440 614 HB2 ASN 78 HB2 ASN 78 202.871 -7.392 -12.196 615 HB3 ASN 78 HB1 ASN 78 204.453 -7.798 -12.855 616 HD21 ASN 78 HD21 ASN 78 201.388 -8.812 -12.707 617 HD22 ASN 78 HD22 ASN 78 201.613 -10.517 -12.869 618 H ASN 79 HN ASN 79 204.463 -5.745 -9.381 619 HA ASN 79 HA ASN 79 206.857 -4.791 -10.780 620 HB2 ASN 79 HB2 ASN 79 204.693 -3.396 -10.540 621 HB3 ASN 79 HB1 ASN 79 205.209 -3.148 -8.875 622 HD21 ASN 79 HD21 ASN 79 205.479 -2.108 -12.057 623 HD22 ASN 79 HD22 ASN 79 206.793 -1.005 -11.853 624 HA PRO 80 HA PRO 80 208.822 -6.046 -6.882 625 HB2 PRO 80 HB2 PRO 80 211.292 -6.385 -7.864 626 HB3 PRO 80 HB1 PRO 80 210.011 -7.576 -8.124 627 HG2 PRO 80 HG2 PRO 80 211.008 -5.437 -9.963 628 HG3 PRO 80 HG1 PRO 80 210.625 -7.131 -10.322 629 HD2 PRO 80 HD2 PRO 80 208.924 -5.064 -10.848 630 HD3 PRO 80 HD1 PRO 80 208.375 -6.713 -10.491 631 H LYS 81 HN LYS 81 208.550 -3.180 -8.092 632 HA LYS 81 HA LYS 81 210.851 -2.048 -6.664 633 HB2 LYS 81 HB2 LYS 81 209.497 -1.252 -9.213 634 HB3 LYS 81 HB1 LYS 81 210.289 -0.032 -8.239 635 HG2 LYS 81 HG2 LYS 81 211.540 -2.448 -9.510 636 HG3 LYS 81 HG1 LYS 81 211.822 -0.753 -9.909 637 HD2 LYS 81 HD2 LYS 81 212.628 -0.511 -7.492 638 HD3 LYS 81 HD1 LYS 81 212.681 -2.274 -7.466 639 HE2 LYS 81 HE2 LYS 81 214.106 -2.099 -9.569 640 HE3 LYS 81 HE1 LYS 81 214.252 -0.382 -9.197 641 HZ1 LYS 81 HZ1 LYS 81 214.836 -2.189 -7.005 642 HZ2 LYS 81 HZ2 LYS 81 215.640 -0.783 -7.495 643 HZ3 LYS 81 HZ3 LYS 81 215.930 -2.245 -8.295 644 H ARG 82 HN ARG 82 207.437 -2.240 -6.943 645 HA ARG 82 HA ARG 82 206.900 0.234 -5.542 646 HB2 ARG 82 HB2 ARG 82 205.198 -1.938 -6.704 647 HB3 ARG 82 HB1 ARG 82 204.506 -0.720 -5.641 648 HG2 ARG 82 HG2 ARG 82 204.890 0.998 -7.145 649 HG3 ARG 82 HG1 ARG 82 206.125 0.088 -8.018 650 HD2 ARG 82 HD2 ARG 82 204.550 -1.243 -9.093 651 HD3 ARG 82 HD1 ARG 82 203.281 -0.841 -7.939 652 HE ARG 82 HE ARG 82 203.565 1.510 -8.979 653 HH11 ARG 82 HH11 ARG 82 203.798 -1.519 -10.711 654 HH12 ARG 82 HH12 ARG 82 203.278 -0.837 -12.212 655 HH21 ARG 82 HH21 ARG 82 202.880 2.396 -10.956 656 HH22 ARG 82 HH22 ARG 82 202.757 1.380 -12.353 657 H ALA 83 HN ALA 83 208.341 -2.119 -4.226 658 HA ALA 83 HA ALA 83 206.602 -2.194 -1.850 659 HB1 ALA 83 HB1 ALA 83 208.200 -4.547 -1.902 660 HB2 ALA 83 HB2 ALA 83 207.334 -4.414 -3.432 661 HB3 ALA 83 HB3 ALA 83 206.444 -4.401 -1.911 662 H TRP 84 HN TRP 84 207.670 -0.741 -0.628 663 HA TRP 84 HA TRP 84 210.553 -1.164 -0.238 664 HB2 TRP 84 HB2 TRP 84 208.867 1.304 0.197 665 HB3 TRP 84 HB1 TRP 84 210.592 1.188 0.541 666 HD1 TRP 84 HD1 TRP 84 208.190 0.908 -2.488 667 HE1 TRP 84 HE1 TRP 84 209.485 1.621 -4.594 668 HE3 TRP 84 HE3 TRP 84 212.793 1.606 -0.399 669 HZ2 TRP 84 HZ2 TRP 84 212.109 2.399 -5.267 670 HZ3 TRP 84 HZ3 TRP 84 214.641 2.333 -1.837 671 HH2 TRP 84 HH2 TRP 84 214.310 2.721 -4.227 672 H ILE 85 HN ILE 85 211.382 -1.595 1.683 673 HA ILE 85 HA ILE 85 209.537 -1.745 3.983 674 HB ILE 85 HB ILE 85 211.148 -3.455 4.891 675 HG12 ILE 85 HG12 ILE 85 212.136 -4.029 2.163 676 HG13 ILE 85 HG11 ILE 85 212.825 -2.604 2.936 677 HG21 ILE 85 HG21 ILE 85 209.116 -3.727 2.921 678 HG22 ILE 85 HG22 ILE 85 209.587 -4.862 4.185 679 HG23 ILE 85 HG23 ILE 85 210.363 -4.933 2.603 680 HD11 ILE 85 HD11 ILE 85 212.806 -4.772 4.793 681 HD12 ILE 85 HD12 ILE 85 214.174 -3.875 4.135 682 HD13 ILE 85 HD13 ILE 85 213.555 -5.289 3.282 683 H VAL 86 HN VAL 86 210.430 -1.204 6.089 684 HA VAL 86 HA VAL 86 212.572 0.785 5.856 685 HB VAL 86 HB VAL 86 210.761 0.421 8.232 686 HG11 VAL 86 HG11 VAL 86 212.940 1.793 8.265 687 HG12 VAL 86 HG12 VAL 86 211.471 2.532 8.902 688 HG13 VAL 86 HG13 VAL 86 212.045 2.958 7.290 689 HG21 VAL 86 HG21 VAL 86 209.445 0.773 6.126 690 HG22 VAL 86 HG22 VAL 86 210.273 2.319 5.943 691 HG23 VAL 86 HG23 VAL 86 209.241 2.032 7.344 692 H SER 87 HN SER 87 214.497 0.448 6.734 693 HA SER 87 HA SER 87 214.782 -1.728 8.700 694 HB2 SER 87 HB2 SER 87 215.779 -2.382 6.563 695 HB3 SER 87 HB1 SER 87 216.734 -0.901 6.536 696 HG SER 87 HG SER 87 217.758 -1.645 8.460 697 H GLY 88 HN GLY 88 214.758 -0.472 10.535 698 HA2 GLY 88 HA2 GLY 88 215.735 0.778 12.201 699 HA3 GLY 88 HA1 GLY 88 217.185 0.854 11.212 700 H ASN 89 HN ASN 89 217.633 2.658 10.080 701 HA ASN 89 HA ASN 89 215.668 4.847 10.226 702 HB2 ASN 89 HB2 ASN 89 217.520 6.391 10.511 703 HB3 ASN 89 HB1 ASN 89 217.622 5.136 11.741 704 HD21 ASN 89 HD21 ASN 89 218.816 5.931 8.490 705 HD22 ASN 89 HD22 ASN 89 220.376 5.224 8.705 706 H THR 90 HN THR 90 216.097 2.892 8.060 707 HA THR 90 HA THR 90 216.536 4.828 5.944 708 HB THR 90 HB THR 90 217.946 2.811 4.879 709 HG1 THR 90 HG1 THR 90 217.899 1.559 6.758 710 HG21 THR 90 HG21 THR 90 219.905 4.111 6.347 711 HG22 THR 90 HG22 THR 90 218.622 5.304 6.144 712 HG23 THR 90 HG23 THR 90 219.335 4.528 4.730 713 H ILE 91 HN ILE 91 215.630 4.319 3.994 714 HA ILE 91 HA ILE 91 213.581 2.224 4.079 715 HB ILE 91 HB ILE 91 213.935 4.254 1.878 716 HG12 ILE 91 HG12 ILE 91 213.811 5.491 3.989 717 HG13 ILE 91 HG11 ILE 91 212.326 5.694 3.065 718 HG21 ILE 91 HG21 ILE 91 211.320 3.875 2.018 719 HG22 ILE 91 HG22 ILE 91 211.826 2.350 2.745 720 HG23 ILE 91 HG23 ILE 91 212.370 2.777 1.123 721 HD11 ILE 91 HD11 ILE 91 211.094 4.387 4.523 722 HD12 ILE 91 HD12 ILE 91 212.176 5.276 5.595 723 HD13 ILE 91 HD13 ILE 91 212.526 3.597 5.183 724 H ALA 92 HN ALA 92 213.959 0.321 3.122 725 HA ALA 92 HA ALA 92 215.963 0.257 0.956 726 HB1 ALA 92 HB1 ALA 92 215.480 -2.211 2.524 727 HB2 ALA 92 HB2 ALA 92 216.341 -0.901 3.331 728 HB3 ALA 92 HB3 ALA 92 216.973 -1.579 1.830 729 H GLN 93 HN GLN 93 215.581 -0.965 -0.838 730 HA GLN 93 HA GLN 93 212.903 -1.453 -1.598 731 HB2 GLN 93 HB2 GLN 93 215.067 -0.947 -2.983 732 HB3 GLN 93 HB1 GLN 93 215.241 -2.694 -2.996 733 HG2 GLN 93 HG2 GLN 93 213.947 -2.702 -4.787 734 HG3 GLN 93 HG1 GLN 93 212.607 -2.289 -3.718 735 HE21 GLN 93 HE21 GLN 93 215.350 -0.262 -4.616 736 HE22 GLN 93 HE22 GLN 93 214.421 0.950 -5.418 737 H LEU 94 HN LEU 94 211.793 -3.366 -1.952 738 HA LEU 94 HA LEU 94 212.216 -5.454 -0.135 739 HB2 LEU 94 HB2 LEU 94 210.356 -6.541 -1.097 740 HB3 LEU 94 HB1 LEU 94 210.030 -4.826 -1.199 741 HG LEU 94 HG LEU 94 211.082 -6.424 -3.530 742 HD11 LEU 94 HD11 LEU 94 209.111 -7.429 -3.626 743 HD12 LEU 94 HD12 LEU 94 208.452 -5.857 -4.073 744 HD13 LEU 94 HD13 LEU 94 208.420 -6.379 -2.389 745 HD21 LEU 94 HD21 LEU 94 209.682 -3.758 -3.388 746 HD22 LEU 94 HD22 LEU 94 210.230 -4.565 -4.847 747 HD23 LEU 94 HD23 LEU 94 211.406 -3.996 -3.668 748 H SER 95 HN SER 95 212.632 -5.533 -3.696 749 HA SER 95 HA SER 95 213.824 -8.112 -3.643 750 HB2 SER 95 HB2 SER 95 213.973 -6.099 -5.889 751 HB3 SER 95 HB1 SER 95 214.108 -7.853 -6.006 752 HG SER 95 HG SER 95 211.907 -7.926 -5.220 753 H ASP 96 HN ASP 96 215.105 -5.149 -2.771 754 HA ASP 96 HA ASP 96 217.807 -6.221 -3.075 755 HB2 ASP 96 HB2 ASP 96 216.767 -3.670 -4.202 756 HB3 ASP 96 HB1 ASP 96 218.388 -3.652 -3.513 757 H ARG 97 HN ARG 97 217.827 -6.667 -0.861 758 HA ARG 97 HA ARG 97 217.182 -4.726 1.113 759 HB2 ARG 97 HB2 ARG 97 218.434 -7.420 1.071 760 HB3 ARG 97 HB1 ARG 97 218.780 -6.407 2.465 761 HG2 ARG 97 HG2 ARG 97 216.926 -7.407 3.263 762 HG3 ARG 97 HG1 ARG 97 216.128 -6.107 2.376 763 HD2 ARG 97 HD2 ARG 97 215.077 -7.596 1.111 764 HD3 ARG 97 HD1 ARG 97 216.621 -8.249 0.570 765 HE ARG 97 HE ARG 97 214.868 -9.348 2.586 766 HH11 ARG 97 HH11 ARG 97 218.096 -9.329 1.252 767 HH12 ARG 97 HH12 ARG 97 218.501 -10.887 1.888 768 HH21 ARG 97 HH21 ARG 97 215.403 -11.397 3.422 769 HH22 ARG 97 HH22 ARG 97 216.974 -12.061 3.118 770 H ASP 98 HN ASP 98 219.847 -5.187 -0.945 771 HA ASP 98 HA ASP 98 221.720 -3.789 0.798 772 HB2 ASP 98 HB2 ASP 98 222.103 -4.893 -1.993 773 HB3 ASP 98 HB1 ASP 98 223.371 -4.235 -0.964 774 H ILE 99 HN ILE 99 219.240 -2.682 -0.760 775 HA ILE 99 HA ILE 99 220.634 -0.278 -1.687 776 HB ILE 99 HB ILE 99 219.646 -1.847 -3.548 777 HG12 ILE 99 HG12 ILE 99 219.050 1.114 -3.532 778 HG13 ILE 99 HG11 ILE 99 220.634 0.410 -3.841 779 HG21 ILE 99 HG21 ILE 99 217.410 -1.798 -3.988 780 HG22 ILE 99 HG22 ILE 99 217.177 -0.231 -3.216 781 HG23 ILE 99 HG23 ILE 99 217.359 -1.680 -2.230 782 HD11 ILE 99 HD11 ILE 99 219.419 -0.872 -5.729 783 HD12 ILE 99 HD12 ILE 99 219.837 0.825 -5.961 784 HD13 ILE 99 HD13 ILE 99 218.184 0.373 -5.542 785 H VAL 100 HN VAL 100 219.739 1.619 -1.026 786 HA VAL 100 HA VAL 100 217.066 1.625 0.126 787 HB VAL 100 HB VAL 100 217.874 2.780 2.182 788 HG11 VAL 100 HG11 VAL 100 218.189 -0.067 1.584 789 HG12 VAL 100 HG12 VAL 100 217.299 0.734 2.874 790 HG13 VAL 100 HG13 VAL 100 219.037 0.486 3.023 791 HG21 VAL 100 HG21 VAL 100 220.084 3.418 1.338 792 HG22 VAL 100 HG22 VAL 100 220.563 1.721 1.331 793 HG23 VAL 100 HG23 VAL 100 220.195 2.527 2.856 794 H LEU 101 HN LEU 101 216.053 3.554 -0.039 795 HA LEU 101 HA LEU 101 216.840 5.466 -1.821 796 HB2 LEU 101 HB2 LEU 101 215.186 6.039 0.624 797 HB3 LEU 101 HB1 LEU 101 215.194 6.949 -0.864 798 HG LEU 101 HG LEU 101 214.421 4.075 -0.909 799 HD11 LEU 101 HD11 LEU 101 213.145 5.707 0.812 800 HD12 LEU 101 HD12 LEU 101 212.361 4.384 -0.052 801 HD13 LEU 101 HD13 LEU 101 212.240 6.033 -0.666 802 HD21 LEU 101 HD21 LEU 101 213.894 6.497 -2.592 803 HD22 LEU 101 HD22 LEU 101 212.926 5.031 -2.740 804 HD23 LEU 101 HD23 LEU 101 214.660 4.978 -3.054 805 H ASP 102 HN ASP 102 217.512 7.581 -1.679 806 HA ASP 102 HA ASP 102 218.942 8.486 0.665 807 HB2 ASP 102 HB2 ASP 102 220.491 6.917 -0.392 808 HB3 ASP 102 HB1 ASP 102 220.326 7.770 -1.917 809 H ILE 103 HN ILE 103 219.989 10.636 0.204 810 HA ILE 103 HA ILE 103 218.202 12.204 -1.496 811 HB ILE 103 HB ILE 103 220.211 13.058 0.591 812 HG12 ILE 103 HG12 ILE 103 217.682 14.022 1.235 813 HG13 ILE 103 HG11 ILE 103 217.370 12.406 0.609 814 HG21 ILE 103 HG21 ILE 103 220.205 14.759 -1.090 815 HG22 ILE 103 HG22 ILE 103 219.242 15.339 0.269 816 HG23 ILE 103 HG23 ILE 103 218.444 14.735 -1.183 817 HD11 ILE 103 HD11 ILE 103 219.194 13.140 2.882 818 HD12 ILE 103 HD12 ILE 103 219.026 11.520 2.210 819 HD13 ILE 103 HD13 ILE 103 217.647 12.300 2.982 820 H ILE 104 HN ILE 104 218.797 12.696 -3.516 821 HA ILE 104 HA ILE 104 221.352 12.152 -4.552 822 HB ILE 104 HB ILE 104 219.354 12.236 -5.963 823 HG12 ILE 104 HG12 ILE 104 221.104 14.429 -7.010 824 HG13 ILE 104 HG11 ILE 104 221.794 12.831 -6.745 825 HG21 ILE 104 HG21 ILE 104 217.996 14.016 -6.199 826 HG22 ILE 104 HG22 ILE 104 219.326 15.173 -6.147 827 HG23 ILE 104 HG23 ILE 104 218.690 14.494 -4.649 828 HD11 ILE 104 HD11 ILE 104 219.933 11.929 -8.187 829 HD12 ILE 104 HD12 ILE 104 221.146 12.916 -9.004 830 HD13 ILE 104 HD13 ILE 104 219.572 13.604 -8.606 831 H LYS 105 HN LYS 105 223.089 13.424 -5.029 832 HA LYS 105 HA LYS 105 224.456 15.263 -5.117 833 HB2 LYS 105 HB2 LYS 105 222.083 16.498 -5.334 834 HB3 LYS 105 HB1 LYS 105 222.566 17.099 -3.753 835 HG2 LYS 105 HG2 LYS 105 223.575 18.708 -4.936 836 HG3 LYS 105 HG1 LYS 105 224.841 17.500 -5.162 837 HD2 LYS 105 HD2 LYS 105 223.857 16.832 -7.281 838 HD3 LYS 105 HD1 LYS 105 222.531 17.973 -7.046 839 HE2 LYS 105 HE2 LYS 105 224.303 19.784 -6.934 840 HE3 LYS 105 HE1 LYS 105 225.441 18.572 -7.520 841 HZ1 LYS 105 HZ1 LYS 105 222.975 18.854 -9.034 842 HZ2 LYS 105 HZ2 LYS 105 224.558 18.611 -9.578 843 HZ3 LYS 105 HZ3 LYS 105 224.050 20.159 -9.123 844 H SER 106 HN SER 106 222.785 14.238 -2.281 845 HA SER 106 HA SER 106 223.341 14.179 -0.078 846 HB2 SER 106 HB2 SER 106 226.218 14.519 -0.894 847 HB3 SER 106 HB1 SER 106 225.549 13.546 0.416 848 HG SER 106 HG SER 106 224.519 12.305 -1.358 849 H ASP 107 HN ASP 107 222.639 16.721 -1.043 850 HA ASP 107 HA ASP 107 224.408 18.493 0.510 851 HB2 ASP 107 HB2 ASP 107 224.030 18.899 -2.015 852 HB3 ASP 107 HB1 ASP 107 222.428 19.455 -1.540 853 H LYS 108 HN LYS 108 223.248 20.398 1.480 854 HA LYS 108 HA LYS 108 221.059 19.416 3.079 855 HB2 LYS 108 HB2 LYS 108 223.085 21.384 3.354 856 HB3 LYS 108 HB1 LYS 108 221.538 22.206 3.498 857 HG2 LYS 108 HG2 LYS 108 222.255 21.557 5.677 858 HG3 LYS 108 HG1 LYS 108 220.881 20.546 5.225 859 HD2 LYS 108 HD2 LYS 108 222.113 18.660 5.223 860 HD3 LYS 108 HD1 LYS 108 223.506 19.455 4.488 861 HE2 LYS 108 HE2 LYS 108 222.692 19.480 7.388 862 HE3 LYS 108 HE1 LYS 108 224.132 18.746 6.683 863 HZ1 LYS 108 HZ1 LYS 108 224.418 21.276 5.898 864 HZ2 LYS 108 HZ2 LYS 108 225.073 20.664 7.333 865 HZ3 LYS 108 HZ3 LYS 108 223.612 21.516 7.367 866 H GLU 109 HN GLU 109 221.354 21.091 0.156 867 HA GLU 109 HA GLU 109 219.340 22.949 0.108 868 HB2 GLU 109 HB2 GLU 109 220.706 21.292 -1.864 869 HB3 GLU 109 HB1 GLU 109 219.059 21.682 -2.342 870 HG2 GLU 109 HG2 GLU 109 219.565 24.074 -1.965 871 HG3 GLU 109 HG1 GLU 109 221.237 23.630 -1.625 872 H ALA 110 HN ALA 110 217.138 22.960 -0.172 873 HA ALA 110 HA ALA 110 215.771 20.501 0.570 874 HB1 ALA 110 HB1 ALA 110 215.396 23.028 1.396 875 HB2 ALA 110 HB2 ALA 110 214.130 21.800 1.422 876 HB3 ALA 110 HB3 ALA 110 214.207 22.959 0.095 877 H GLY 111 HN GLY 111 213.828 19.804 -0.549 878 HA2 GLY 111 HA2 GLY 111 212.539 19.365 -2.408 879 HA3 GLY 111 HA1 GLY 111 213.267 20.757 -3.195 880 H ALA 112 HN ALA 112 215.566 18.588 -1.937 881 HA ALA 112 HA ALA 112 216.450 17.896 -4.572 882 HB1 ALA 112 HB1 ALA 112 218.099 16.460 -3.160 883 HB2 ALA 112 HB2 ALA 112 217.435 17.368 -1.802 884 HB3 ALA 112 HB3 ALA 112 218.223 18.219 -3.131 885 H HIS 113 HN HIS 113 216.139 16.068 -5.683 886 HA HIS 113 HA HIS 113 214.106 14.265 -4.931 887 HB2 HIS 113 HB2 HIS 113 216.058 14.461 -7.173 888 HB3 HIS 113 HB1 HIS 113 215.267 12.910 -6.911 889 HD1 HIS 113 HD1 HIS 113 214.685 16.321 -8.212 890 HD2 HIS 113 HD2 HIS 113 212.438 12.946 -7.298 891 HE1 HIS 113 HE1 HIS 113 212.447 16.688 -9.299 892 HE2 HIS 113 HE2 HIS 113 211.128 14.603 -8.790 893 H ILE 114 HN ILE 114 214.546 11.809 -5.102 894 HA ILE 114 HA ILE 114 216.970 11.058 -3.649 895 HB ILE 114 HB ILE 114 215.413 9.432 -2.378 896 HG12 ILE 114 HG12 ILE 114 213.426 10.235 -3.795 897 HG13 ILE 114 HG11 ILE 114 213.174 10.012 -2.069 898 HG21 ILE 114 HG21 ILE 114 216.280 10.717 -0.782 899 HG22 ILE 114 HG22 ILE 114 214.832 11.712 -0.914 900 HG23 ILE 114 HG23 ILE 114 216.276 12.134 -1.832 901 HD11 ILE 114 HD11 ILE 114 213.376 12.552 -3.629 902 HD12 ILE 114 HD12 ILE 114 213.662 12.529 -1.890 903 HD13 ILE 114 HD13 ILE 114 212.106 12.011 -2.535 904 H CYS 115 HN CYS 115 217.364 8.685 -3.708 905 HA CYS 115 HA CYS 115 215.931 7.157 -5.688 906 HB2 CYS 115 HB2 CYS 115 217.761 8.559 -6.856 907 HB3 CYS 115 HB1 CYS 115 218.899 7.493 -6.040 908 HG CYS 115 HG CYS 115 218.497 6.439 -8.329 909 H ALA 116 HN ALA 116 216.894 4.848 -5.742 910 HA ALA 116 HA ALA 116 217.657 4.179 -3.000 911 HB1 ALA 116 HB1 ALA 116 216.143 2.841 -5.080 912 HB2 ALA 116 HB2 ALA 116 216.183 2.543 -3.342 913 HB3 ALA 116 HB3 ALA 116 217.389 1.799 -4.392 914 H TRP 117 HN TRP 117 219.711 3.834 -2.521 915 HA TRP 117 HA TRP 117 221.494 2.922 -4.676 916 HB2 TRP 117 HB2 TRP 117 221.916 5.275 -4.344 917 HB3 TRP 117 HB1 TRP 117 222.115 5.036 -2.616 918 HD1 TRP 117 HD1 TRP 117 224.516 4.600 -1.790 919 HE1 TRP 117 HE1 TRP 117 226.778 4.131 -2.926 920 HE3 TRP 117 HE3 TRP 117 222.901 4.021 -6.606 921 HZ2 TRP 117 HZ2 TRP 117 227.749 3.588 -5.521 922 HZ3 TRP 117 HZ3 TRP 117 224.560 3.529 -8.356 923 HH2 TRP 117 HH2 TRP 117 226.934 3.318 -7.822 924 H LYS 118 HN LYS 118 223.482 1.989 -3.964 925 HA LYS 118 HA LYS 118 223.082 -0.091 -2.098 926 HB2 LYS 118 HB2 LYS 118 224.688 0.035 -4.134 927 HB3 LYS 118 HB1 LYS 118 225.811 0.776 -3.002 928 HG2 LYS 118 HG2 LYS 118 224.894 -1.482 -1.678 929 HG3 LYS 118 HG1 LYS 118 225.098 -2.002 -3.352 930 HD2 LYS 118 HD2 LYS 118 227.247 -0.400 -2.035 931 HD3 LYS 118 HD1 LYS 118 227.104 -2.122 -1.677 932 HE2 LYS 118 HE2 LYS 118 227.278 -1.003 -4.469 933 HE3 LYS 118 HE1 LYS 118 228.680 -1.543 -3.546 934 HZ1 LYS 118 HZ1 LYS 118 226.477 -3.428 -3.729 935 HZ2 LYS 118 HZ2 LYS 118 228.144 -3.697 -3.825 936 HZ3 LYS 118 HZ3 LYS 118 227.302 -3.123 -5.174 937 H GLN 119 HN GLN 119 223.259 -0.091 0.044 938 HA GLN 119 HA GLN 119 223.904 2.171 1.545 939 HB2 GLN 119 HB2 GLN 119 222.572 0.120 2.263 940 HB3 GLN 119 HB1 GLN 119 224.119 -0.658 2.565 941 HG2 GLN 119 HG2 GLN 119 224.677 0.942 4.244 942 HG3 GLN 119 HG1 GLN 119 223.271 1.928 3.843 943 HE21 GLN 119 HE21 GLN 119 222.269 1.852 5.790 944 HE22 GLN 119 HE22 GLN 119 221.639 0.407 6.496 945 H HIS 120 HN HIS 120 225.778 3.089 2.039 946 HA HIS 120 HA HIS 120 228.182 1.409 2.188 947 HB2 HIS 120 HB2 HIS 120 229.439 3.341 1.113 948 HB3 HIS 120 HB1 HIS 120 228.405 2.394 0.049 949 HD1 HIS 120 HD1 HIS 120 226.694 4.850 2.224 950 HD2 HIS 120 HD2 HIS 120 228.246 4.696 -1.627 951 HE1 HIS 120 HE1 HIS 120 225.756 6.859 1.041 952 HE2 HIS 120 HE2 HIS 120 226.785 6.798 -1.257 953 H GLY 121 HN GLY 121 226.196 3.328 3.884 954 HA2 GLY 121 HA2 GLY 121 226.493 4.207 6.007 955 HA3 GLY 121 HA1 GLY 121 228.217 3.899 5.859 956 H GLY 122 HN GLY 122 225.836 5.928 4.148 957 HA2 GLY 122 HA2 GLY 122 227.779 8.145 4.322 958 HA3 GLY 122 HA1 GLY 122 226.560 7.980 3.068 959 HA PRO 123 HA PRO 123 225.104 10.421 7.000 960 HB2 PRO 123 HB2 PRO 123 225.691 12.972 6.205 961 HB3 PRO 123 HB1 PRO 123 226.740 12.004 7.246 962 HG2 PRO 123 HG2 PRO 123 226.920 12.488 4.298 963 HG3 PRO 123 HG1 PRO 123 228.215 12.464 5.510 964 HD2 PRO 123 HD2 PRO 123 227.753 10.371 3.881 965 HD3 PRO 123 HD1 PRO 123 228.301 10.152 5.556 966 H ASN 124 HN ASN 124 225.058 11.030 3.548 967 HA ASN 124 HA ASN 124 222.578 12.479 3.581 968 HB2 ASN 124 HB2 ASN 124 222.695 12.149 1.082 969 HB3 ASN 124 HB1 ASN 124 224.083 12.966 1.792 970 HD21 ASN 124 HD21 ASN 124 223.190 10.696 -0.373 971 HD22 ASN 124 HD22 ASN 124 224.633 9.747 -0.424 972 H GLN 125 HN GLN 125 223.275 9.283 4.082 973 HA GLN 125 HA GLN 125 220.817 8.315 2.809 974 HB2 GLN 125 HB2 GLN 125 223.400 7.100 3.535 975 HB3 GLN 125 HB1 GLN 125 221.997 6.093 3.863 976 HG2 GLN 125 HG2 GLN 125 221.307 6.626 1.448 977 HG3 GLN 125 HG1 GLN 125 222.977 7.154 1.245 978 HE21 GLN 125 HE21 GLN 125 221.438 4.450 2.951 979 HE22 GLN 125 HE22 GLN 125 222.382 3.215 2.200 980 H LYS 126 HN LYS 126 221.871 9.456 5.777 981 HA LYS 126 HA LYS 126 220.337 7.654 7.433 982 HB2 LYS 126 HB2 LYS 126 221.482 10.301 8.291 983 HB3 LYS 126 HB1 LYS 126 221.155 8.884 9.278 984 HG2 LYS 126 HG2 LYS 126 223.211 8.872 7.094 985 HG3 LYS 126 HG1 LYS 126 223.578 9.389 8.740 986 HD2 LYS 126 HD2 LYS 126 223.309 7.276 9.609 987 HD3 LYS 126 HD1 LYS 126 222.214 6.771 8.320 988 HE2 LYS 126 HE2 LYS 126 224.874 7.439 7.345 989 HE3 LYS 126 HE1 LYS 126 224.891 6.136 8.533 990 HZ1 LYS 126 HZ1 LYS 126 222.839 5.419 6.962 991 HZ2 LYS 126 HZ2 LYS 126 224.425 4.864 6.769 992 HZ3 LYS 126 HZ3 LYS 126 223.863 6.156 5.833 993 H PHE 127 HN PHE 127 218.300 7.931 8.149 994 HA PHE 127 HA PHE 127 216.997 10.528 7.722 995 HB2 PHE 127 HB2 PHE 127 215.513 7.945 7.336 996 HB3 PHE 127 HB1 PHE 127 215.075 9.556 6.785 997 HD1 PHE 127 HD1 PHE 127 217.476 10.458 5.425 998 HD2 PHE 127 HD2 PHE 127 215.648 6.617 5.462 999 HE1 PHE 127 HE1 PHE 127 218.465 9.970 3.228 1000 HE2 PHE 127 HE2 PHE 127 216.634 6.122 3.264 1001 HZ PHE 127 HZ PHE 127 218.043 7.802 2.147 1002 H ILE 128 HN ILE 128 215.242 10.965 9.143 1003 HA ILE 128 HA ILE 128 215.333 9.349 11.604 1004 HB ILE 128 HB ILE 128 214.301 12.124 11.683 1005 HG12 ILE 128 HG12 ILE 128 217.260 11.484 11.661 1006 HG13 ILE 128 HG11 ILE 128 216.398 12.283 10.350 1007 HG21 ILE 128 HG21 ILE 128 215.441 10.125 13.510 1008 HG22 ILE 128 HG22 ILE 128 214.188 11.335 13.786 1009 HG23 ILE 128 HG23 ILE 128 215.889 11.799 13.838 1010 HD11 ILE 128 HD11 ILE 128 215.817 13.746 12.670 1011 HD12 ILE 128 HD12 ILE 128 216.842 14.220 11.316 1012 HD13 ILE 128 HD13 ILE 128 217.546 13.405 12.713 1013 H ILE 129 HN ILE 129 213.503 8.632 12.461 1014 HA ILE 129 HA ILE 129 211.013 9.187 11.002 1015 HB ILE 129 HB ILE 129 211.580 6.714 12.626 1016 HG12 ILE 129 HG12 ILE 129 213.222 6.850 10.810 1017 HG13 ILE 129 HG11 ILE 129 212.051 5.571 10.499 1018 HG21 ILE 129 HG21 ILE 129 209.583 5.937 11.927 1019 HG22 ILE 129 HG22 ILE 129 209.692 6.744 10.362 1020 HG23 ILE 129 HG23 ILE 129 209.222 7.658 11.796 1021 HD11 ILE 129 HD11 ILE 129 211.603 8.278 9.338 1022 HD12 ILE 129 HD12 ILE 129 211.090 6.697 8.747 1023 HD13 ILE 129 HD13 ILE 129 212.777 7.190 8.598 1024 H GLU 130 HN GLU 130 209.145 9.647 12.114 1025 HA GLU 130 HA GLU 130 209.250 9.690 15.042 1026 HB2 GLU 130 HB2 GLU 130 209.740 11.975 13.836 1027 HB3 GLU 130 HB1 GLU 130 208.000 11.992 13.589 1028 HG2 GLU 130 HG2 GLU 130 207.799 11.622 16.095 1029 HG3 GLU 130 HG1 GLU 130 209.515 12.019 16.176 1030 H SER 131 HN SER 131 207.664 8.347 15.615 1031 HA SER 131 HA SER 131 205.494 7.608 14.013 1032 HB2 SER 131 HB2 SER 131 205.953 7.397 16.989 1033 HB3 SER 131 HB1 SER 131 204.528 6.725 16.197 1034 HG SER 131 HG SER 131 205.763 5.271 15.168 1035 H GLU 132 HN GLU 132 203.870 8.822 13.365 1036 HA GLU 132 HA GLU 132 202.362 10.535 13.241 1037 HB2 GLU 132 HB2 GLU 132 200.683 10.472 14.973 1038 HB3 GLU 132 HB1 GLU 132 201.225 8.834 14.637 1039 HG2 GLU 132 HG2 GLU 132 202.552 8.797 16.629 1040 HG3 GLU 132 HG1 GLU 132 202.229 10.504 16.929 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 197.251 -4.346 15.954 2 H2 MET 1 HT2 MET 1 197.434 -2.732 16.509 3 H3 MET 1 HT3 MET 1 197.842 -3.137 14.892 4 HA MET 1 HA MET 1 195.467 -3.844 14.648 5 HB2 MET 1 HB2 MET 1 195.230 -3.703 17.210 6 HB3 MET 1 HB1 MET 1 195.102 -1.966 16.974 7 HG2 MET 1 HG2 MET 1 193.162 -2.310 15.524 8 HG3 MET 1 HG1 MET 1 193.286 -4.049 15.782 9 HE1 MET 1 HE1 MET 1 190.461 -4.249 17.716 10 HE2 MET 1 HE2 MET 1 190.966 -3.841 16.076 11 HE3 MET 1 HE3 MET 1 190.165 -2.631 17.079 12 H LYS 2 HN LYS 2 194.944 -2.693 12.917 13 HA LYS 2 HA LYS 2 194.654 -0.970 11.466 14 HB2 LYS 2 HB2 LYS 2 193.907 0.039 13.983 15 HB3 LYS 2 HB1 LYS 2 194.899 1.289 13.245 16 HG2 LYS 2 HG2 LYS 2 192.945 1.928 12.345 17 HG3 LYS 2 HG1 LYS 2 193.311 0.667 11.166 18 HD2 LYS 2 HD2 LYS 2 191.934 -0.912 12.349 19 HD3 LYS 2 HD1 LYS 2 191.680 0.235 13.665 20 HE2 LYS 2 HE2 LYS 2 190.842 1.686 11.528 21 HE3 LYS 2 HE1 LYS 2 190.388 0.056 11.032 22 HZ1 LYS 2 HZ1 LYS 2 189.318 1.711 13.162 23 HZ2 LYS 2 HZ2 LYS 2 189.517 0.076 13.547 24 HZ3 LYS 2 HZ3 LYS 2 188.559 0.522 12.226 25 HA PRO 3 HA PRO 3 198.920 -0.099 10.484 26 HB2 PRO 3 HB2 PRO 3 197.651 1.799 8.572 27 HB3 PRO 3 HB1 PRO 3 198.866 0.551 8.279 28 HG2 PRO 3 HG2 PRO 3 196.337 0.176 7.544 29 HG3 PRO 3 HG1 PRO 3 197.294 -1.154 8.222 30 HD2 PRO 3 HD2 PRO 3 195.157 0.492 9.504 31 HD3 PRO 3 HD1 PRO 3 195.524 -1.234 9.699 32 H LYS 4 HN LYS 4 200.407 1.508 10.898 33 HA LYS 4 HA LYS 4 199.328 4.021 11.999 34 HB2 LYS 4 HB2 LYS 4 201.502 2.210 12.968 35 HB3 LYS 4 HB1 LYS 4 201.620 3.933 13.295 36 HG2 LYS 4 HG2 LYS 4 199.164 2.361 13.991 37 HG3 LYS 4 HG1 LYS 4 200.553 2.458 15.075 38 HD2 LYS 4 HD2 LYS 4 200.085 5.090 14.320 39 HD3 LYS 4 HD1 LYS 4 198.473 4.408 14.545 40 HE2 LYS 4 HE2 LYS 4 199.758 3.430 16.723 41 HE3 LYS 4 HE1 LYS 4 200.587 4.971 16.511 42 HZ1 LYS 4 HZ1 LYS 4 198.247 4.637 17.806 43 HZ2 LYS 4 HZ2 LYS 4 197.721 5.146 16.281 44 HZ3 LYS 4 HZ3 LYS 4 198.796 6.105 17.168 45 H PHE 5 HN PHE 5 200.270 5.924 11.390 46 HA PHE 5 HA PHE 5 202.118 5.762 9.136 47 HB2 PHE 5 HB2 PHE 5 201.576 8.348 9.142 48 HB3 PHE 5 HB1 PHE 5 200.435 7.188 8.473 49 HD1 PHE 5 HD2 PHE 5 198.429 6.549 9.761 50 HD2 PHE 5 HD1 PHE 5 201.057 9.628 11.070 51 HE1 PHE 5 HE2 PHE 5 196.689 7.378 11.287 52 HE2 PHE 5 HE1 PHE 5 199.322 10.464 12.600 53 HZ PHE 5 HZ PHE 5 197.133 9.339 12.710 54 H PHE 6 HN PHE 6 203.690 7.791 9.053 55 HA PHE 6 HA PHE 6 204.694 8.587 11.644 56 HB2 PHE 6 HB2 PHE 6 206.975 7.410 10.346 57 HB3 PHE 6 HB1 PHE 6 206.366 7.153 11.970 58 HD1 PHE 6 HD2 PHE 6 204.795 5.307 12.418 59 HD2 PHE 6 HD1 PHE 6 206.572 5.869 8.594 60 HE1 PHE 6 HE2 PHE 6 204.192 3.002 11.803 61 HE2 PHE 6 HE1 PHE 6 205.976 3.566 7.972 62 HZ PHE 6 HZ PHE 6 204.784 2.127 9.578 63 H TYR 7 HN TYR 7 206.947 9.649 11.343 64 HA TYR 7 HA TYR 7 206.813 11.257 8.890 65 HB2 TYR 7 HB2 TYR 7 206.793 12.066 11.612 66 HB3 TYR 7 HB1 TYR 7 208.335 12.571 10.933 67 HD1 TYR 7 HD2 TYR 7 208.321 14.005 8.846 68 HD2 TYR 7 HD1 TYR 7 204.814 13.244 11.131 69 HE1 TYR 7 HE2 TYR 7 207.233 15.953 7.813 70 HE2 TYR 7 HE1 TYR 7 203.716 15.190 10.104 71 HH TYR 7 HH TYR 7 204.294 16.496 7.553 72 H ILE 8 HN ILE 8 208.488 11.069 7.551 73 HA ILE 8 HA ILE 8 210.950 9.849 8.587 74 HB ILE 8 HB ILE 8 211.019 10.043 5.738 75 HG12 ILE 8 HG12 ILE 8 208.539 10.144 5.874 76 HG13 ILE 8 HG11 ILE 8 209.116 8.675 5.096 77 HG21 ILE 8 HG21 ILE 8 212.091 8.418 7.412 78 HG22 ILE 8 HG22 ILE 8 211.556 7.781 5.858 79 HG23 ILE 8 HG23 ILE 8 210.574 7.526 7.300 80 HD11 ILE 8 HD11 ILE 8 207.236 8.744 7.025 81 HD12 ILE 8 HD12 ILE 8 208.686 8.456 7.988 82 HD13 ILE 8 HD13 ILE 8 208.260 7.349 6.682 83 H LYS 9 HN LYS 9 212.418 11.306 9.139 84 HA LYS 9 HA LYS 9 212.626 13.776 7.573 85 HB2 LYS 9 HB2 LYS 9 212.210 14.157 9.899 86 HB3 LYS 9 HB1 LYS 9 213.497 13.055 10.365 87 HG2 LYS 9 HG2 LYS 9 214.969 14.699 10.352 88 HG3 LYS 9 HG1 LYS 9 214.566 15.098 8.681 89 HD2 LYS 9 HD2 LYS 9 213.205 16.788 9.274 90 HD3 LYS 9 HD1 LYS 9 212.606 15.941 10.701 91 HE2 LYS 9 HE2 LYS 9 215.424 16.900 10.696 92 HE3 LYS 9 HE1 LYS 9 214.137 18.086 10.909 93 HZ1 LYS 9 HZ1 LYS 9 214.540 17.474 13.059 94 HZ2 LYS 9 HZ2 LYS 9 214.938 15.878 12.667 95 HZ3 LYS 9 HZ3 LYS 9 213.319 16.368 12.671 96 H SER 10 HN SER 10 214.462 14.345 6.533 97 HA SER 10 HA SER 10 216.494 12.354 6.138 98 HB2 SER 10 HB2 SER 10 216.169 15.192 5.139 99 HB3 SER 10 HB1 SER 10 217.556 14.184 4.727 100 HG SER 10 HG SER 10 215.922 12.629 3.962 101 H GLU 11 HN GLU 11 217.897 12.012 7.736 102 HA GLU 11 HA GLU 11 218.566 13.852 9.738 103 HB2 GLU 11 HB2 GLU 11 218.786 11.473 10.114 104 HB3 GLU 11 HB1 GLU 11 219.991 11.347 8.842 105 HG2 GLU 11 HG2 GLU 11 221.655 12.064 10.164 106 HG3 GLU 11 HG1 GLU 11 220.637 13.248 10.982 107 H LEU 12 HN LEU 12 219.572 13.741 6.539 108 HA LEU 12 HA LEU 12 222.205 14.849 7.014 109 HB2 LEU 12 HB2 LEU 12 221.839 13.380 5.098 110 HB3 LEU 12 HB1 LEU 12 220.634 14.484 4.462 111 HG LEU 12 HG LEU 12 222.424 16.215 4.240 112 HD11 LEU 12 HD11 LEU 12 224.563 15.878 4.842 113 HD12 LEU 12 HD12 LEU 12 224.542 14.180 4.363 114 HD13 LEU 12 HD13 LEU 12 223.867 14.666 5.919 115 HD21 LEU 12 HD21 LEU 12 223.597 14.176 2.588 116 HD22 LEU 12 HD22 LEU 12 222.580 15.542 2.130 117 HD23 LEU 12 HD23 LEU 12 221.841 14.015 2.610 118 H ASN 13 HN ASN 13 219.347 16.011 5.209 119 HA ASN 13 HA ASN 13 220.247 18.741 5.390 120 HB2 ASN 13 HB2 ASN 13 217.574 17.842 4.351 121 HB3 ASN 13 HB1 ASN 13 218.531 19.228 3.854 122 HD21 ASN 13 HD21 ASN 13 217.383 16.633 2.608 123 HD22 ASN 13 HD22 ASN 13 218.689 16.071 1.627 124 H GLY 14 HN GLY 14 218.310 16.723 7.335 125 HA2 GLY 14 HA2 GLY 14 217.193 17.243 9.297 126 HA3 GLY 14 HA1 GLY 14 217.576 18.939 9.022 127 H LYS 15 HN LYS 15 216.279 17.772 6.223 128 HA LYS 15 HA LYS 15 213.717 19.033 6.729 129 HB2 LYS 15 HB2 LYS 15 214.722 17.815 4.156 130 HB3 LYS 15 HB1 LYS 15 213.464 19.018 4.349 131 HG2 LYS 15 HG2 LYS 15 216.405 19.415 4.830 132 HG3 LYS 15 HG1 LYS 15 215.463 20.041 3.476 133 HD2 LYS 15 HD2 LYS 15 214.501 20.731 6.186 134 HD3 LYS 15 HD1 LYS 15 216.016 21.476 5.674 135 HE2 LYS 15 HE2 LYS 15 213.901 21.530 3.649 136 HE3 LYS 15 HE1 LYS 15 213.521 22.432 5.115 137 HZ1 LYS 15 HZ1 LYS 15 215.818 23.455 4.810 138 HZ2 LYS 15 HZ2 LYS 15 214.597 23.959 3.754 139 HZ3 LYS 15 HZ3 LYS 15 215.759 22.846 3.233 140 H VAL 16 HN VAL 16 211.885 17.788 5.307 141 HA VAL 16 HA VAL 16 211.930 14.985 6.215 142 HB VAL 16 HB VAL 16 209.412 15.199 6.326 143 HG11 VAL 16 HG11 VAL 16 211.039 15.273 8.280 144 HG12 VAL 16 HG12 VAL 16 209.428 15.936 8.557 145 HG13 VAL 16 HG13 VAL 16 210.791 17.020 8.276 146 HG21 VAL 16 HG21 VAL 16 208.333 17.202 6.154 147 HG22 VAL 16 HG22 VAL 16 209.656 17.492 5.025 148 HG23 VAL 16 HG23 VAL 16 209.742 18.131 6.667 149 H LEU 17 HN LEU 17 211.240 13.437 4.793 150 HA LEU 17 HA LEU 17 211.282 14.106 2.020 151 HB2 LEU 17 HB2 LEU 17 210.254 11.497 3.100 152 HB3 LEU 17 HB1 LEU 17 211.104 11.800 1.597 153 HG LEU 17 HG LEU 17 212.292 11.818 4.371 154 HD11 LEU 17 HD11 LEU 17 212.288 9.609 3.899 155 HD12 LEU 17 HD12 LEU 17 213.723 10.040 2.969 156 HD13 LEU 17 HD13 LEU 17 212.165 9.867 2.159 157 HD21 LEU 17 HD21 LEU 17 214.432 11.959 2.823 158 HD22 LEU 17 HD22 LEU 17 213.602 13.408 3.391 159 HD23 LEU 17 HD23 LEU 17 213.309 12.806 1.760 160 H ASP 18 HN ASP 18 209.605 14.441 0.614 161 HA ASP 18 HA ASP 18 206.880 13.883 1.516 162 HB2 ASP 18 HB2 ASP 18 207.564 16.270 2.091 163 HB3 ASP 18 HB1 ASP 18 207.635 16.566 0.357 164 H ILE 19 HN ILE 19 205.302 13.963 -0.206 165 HA ILE 19 HA ILE 19 206.496 13.241 -2.786 166 HB ILE 19 HB ILE 19 203.647 12.811 -1.882 167 HG12 ILE 19 HG12 ILE 19 206.001 10.909 -1.826 168 HG13 ILE 19 HG11 ILE 19 205.187 11.590 -0.422 169 HG21 ILE 19 HG21 ILE 19 205.251 11.899 -4.248 170 HG22 ILE 19 HG22 ILE 19 203.693 12.727 -4.221 171 HG23 ILE 19 HG23 ILE 19 203.804 11.040 -3.720 172 HD11 ILE 19 HD11 ILE 19 203.513 10.107 -0.521 173 HD12 ILE 19 HD12 ILE 19 204.661 9.164 -1.470 174 HD13 ILE 19 HD13 ILE 19 203.443 10.145 -2.283 175 H GLU 20 HN GLU 20 206.052 14.342 -4.636 176 HA GLU 20 HA GLU 20 205.544 16.989 -4.715 177 HB2 GLU 20 HB2 GLU 20 204.918 14.867 -6.751 178 HB3 GLU 20 HB1 GLU 20 204.653 16.571 -7.090 179 HG2 GLU 20 HG2 GLU 20 207.259 16.340 -6.044 180 HG3 GLU 20 HG1 GLU 20 207.063 15.058 -7.238 181 H GLY 21 HN GLY 21 203.941 17.805 -3.435 182 HA2 GLY 21 HA2 GLY 21 201.816 18.297 -2.692 183 HA3 GLY 21 HA1 GLY 21 201.452 18.325 -4.410 184 H GLN 22 HN GLN 22 202.361 15.516 -2.458 185 HA GLN 22 HA GLN 22 201.267 13.588 -1.953 186 HB2 GLN 22 HB2 GLN 22 199.357 15.626 -1.573 187 HB3 GLN 22 HB1 GLN 22 198.530 14.347 -2.450 188 HG2 GLN 22 HG2 GLN 22 199.831 12.913 -0.559 189 HG3 GLN 22 HG1 GLN 22 199.518 14.416 0.308 190 HE21 GLN 22 HE21 GLN 22 197.649 14.541 1.313 191 HE22 GLN 22 HE22 GLN 22 196.228 13.632 0.942 192 H ASN 23 HN ASN 23 198.978 14.942 -4.313 193 HA ASN 23 HA ASN 23 198.238 14.186 -6.324 194 HB2 ASN 23 HB2 ASN 23 200.933 14.296 -6.549 195 HB3 ASN 23 HB1 ASN 23 200.663 12.590 -6.890 196 HD21 ASN 23 HD21 ASN 23 199.579 11.991 -8.739 197 HD22 ASN 23 HD22 ASN 23 199.243 13.096 -10.024 198 HA PRO 24 HA PRO 24 196.932 10.151 -4.580 199 HB2 PRO 24 HB2 PRO 24 194.474 10.815 -6.065 200 HB3 PRO 24 HB1 PRO 24 194.680 10.404 -4.360 201 HG2 PRO 24 HG2 PRO 24 194.093 12.902 -5.141 202 HG3 PRO 24 HG1 PRO 24 195.152 12.583 -3.754 203 HD2 PRO 24 HD2 PRO 24 195.878 13.371 -6.552 204 HD3 PRO 24 HD1 PRO 24 196.561 13.932 -5.010 205 H ALA 25 HN ALA 25 197.386 11.339 -7.742 206 HA ALA 25 HA ALA 25 196.611 8.836 -9.016 207 HB1 ALA 25 HB1 ALA 25 196.131 11.158 -9.979 208 HB2 ALA 25 HB2 ALA 25 196.785 9.938 -11.071 209 HB3 ALA 25 HB3 ALA 25 197.839 11.189 -10.413 210 HA PRO 26 HA PRO 26 200.680 7.124 -9.103 211 HB2 PRO 26 HB2 PRO 26 200.168 6.094 -11.806 212 HB3 PRO 26 HB1 PRO 26 200.399 5.210 -10.298 213 HG2 PRO 26 HG2 PRO 26 198.005 5.349 -11.513 214 HG3 PRO 26 HG1 PRO 26 198.164 5.294 -9.748 215 HD2 PRO 26 HD2 PRO 26 197.648 7.644 -11.533 216 HD3 PRO 26 HD1 PRO 26 196.920 7.238 -9.965 217 H GLY 27 HN GLY 27 202.678 7.845 -9.655 218 HA2 GLY 27 HA2 GLY 27 204.186 8.403 -11.523 219 HA3 GLY 27 HA1 GLY 27 202.895 9.409 -12.154 220 H SER 28 HN SER 28 202.864 9.822 -8.854 221 HA SER 28 HA SER 28 203.975 12.442 -9.078 222 HB2 SER 28 HB2 SER 28 202.124 11.344 -7.436 223 HB3 SER 28 HB1 SER 28 203.532 11.320 -6.375 224 HG SER 28 HG SER 28 202.756 13.300 -6.049 225 H LYS 29 HN LYS 29 205.919 13.204 -8.458 226 HA LYS 29 HA LYS 29 207.983 11.250 -7.853 227 HB2 LYS 29 HB2 LYS 29 207.948 14.100 -8.753 228 HB3 LYS 29 HB1 LYS 29 209.394 13.480 -7.970 229 HG2 LYS 29 HG2 LYS 29 209.902 13.058 -10.149 230 HG3 LYS 29 HG1 LYS 29 209.117 11.538 -9.718 231 HD2 LYS 29 HD2 LYS 29 207.544 11.863 -11.258 232 HD3 LYS 29 HD1 LYS 29 207.143 13.438 -10.571 233 HE2 LYS 29 HE2 LYS 29 208.410 14.569 -12.075 234 HE3 LYS 29 HE1 LYS 29 209.614 13.286 -12.187 235 HZ1 LYS 29 HZ1 LYS 29 206.941 13.323 -13.478 236 HZ2 LYS 29 HZ2 LYS 29 207.995 12.001 -13.505 237 HZ3 LYS 29 HZ3 LYS 29 208.441 13.451 -14.251 238 H ILE 30 HN ILE 30 209.578 11.667 -6.142 239 HA ILE 30 HA ILE 30 208.345 13.045 -3.837 240 HB ILE 30 HB ILE 30 209.394 11.421 -2.344 241 HG12 ILE 30 HG12 ILE 30 210.166 9.925 -4.858 242 HG13 ILE 30 HG11 ILE 30 211.292 10.829 -3.848 243 HG21 ILE 30 HG21 ILE 30 207.116 11.114 -3.712 244 HG22 ILE 30 HG22 ILE 30 207.686 9.946 -2.519 245 HG23 ILE 30 HG23 ILE 30 207.964 9.659 -4.237 246 HD11 ILE 30 HD11 ILE 30 211.368 8.432 -3.395 247 HD12 ILE 30 HD12 ILE 30 209.660 8.465 -2.958 248 HD13 ILE 30 HD13 ILE 30 210.836 9.346 -1.985 249 H ILE 31 HN ILE 31 209.687 14.159 -2.400 250 HA ILE 31 HA ILE 31 212.533 14.333 -2.866 251 HB ILE 31 HB ILE 31 212.663 16.649 -3.394 252 HG12 ILE 31 HG12 ILE 31 210.553 17.221 -2.055 253 HG13 ILE 31 HG11 ILE 31 210.853 18.151 -3.515 254 HG21 ILE 31 HG21 ILE 31 212.312 15.073 -5.265 255 HG22 ILE 31 HG22 ILE 31 211.744 16.705 -5.617 256 HG23 ILE 31 HG23 ILE 31 210.587 15.437 -5.211 257 HD11 ILE 31 HD11 ILE 31 208.936 15.853 -3.243 258 HD12 ILE 31 HD12 ILE 31 209.239 16.771 -4.718 259 HD13 ILE 31 HD13 ILE 31 208.516 17.564 -3.318 260 H THR 32 HN THR 32 213.321 16.371 -1.438 261 HA THR 32 HA THR 32 212.081 15.888 1.184 262 HB THR 32 HB THR 32 214.117 16.317 2.192 263 HG1 THR 32 HG1 THR 32 214.985 17.669 -0.143 264 HG21 THR 32 HG21 THR 32 214.305 14.348 0.652 265 HG22 THR 32 HG22 THR 32 215.829 15.107 1.113 266 HG23 THR 32 HG23 THR 32 215.138 15.413 -0.480 267 H TRP 33 HN TRP 33 211.531 17.621 2.581 268 HA TRP 33 HA TRP 33 211.780 20.343 1.661 269 HB2 TRP 33 HB2 TRP 33 209.769 19.312 0.448 270 HB3 TRP 33 HB1 TRP 33 208.984 19.271 2.023 271 HD1 TRP 33 HD1 TRP 33 207.419 21.257 2.324 272 HE1 TRP 33 HE1 TRP 33 207.389 23.723 1.591 273 HE3 TRP 33 HE3 TRP 33 211.810 21.380 -0.294 274 HZ2 TRP 33 HZ2 TRP 33 209.012 25.486 0.102 275 HZ3 TRP 33 HZ3 TRP 33 212.498 23.496 -1.343 276 HH2 TRP 33 HH2 TRP 33 211.126 25.507 -1.149 277 H ASP 34 HN ASP 34 210.489 21.837 3.224 278 HA ASP 34 HA ASP 34 211.345 21.213 5.868 279 HB2 ASP 34 HB2 ASP 34 209.453 23.433 5.092 280 HB3 ASP 34 HB1 ASP 34 210.541 23.375 6.475 281 H GLN 35 HN GLN 35 210.226 20.460 7.591 282 HA GLN 35 HA GLN 35 207.914 18.951 7.242 283 HB2 GLN 35 HB2 GLN 35 209.560 18.736 9.120 284 HB3 GLN 35 HB1 GLN 35 208.852 20.175 9.840 285 HG2 GLN 35 HG2 GLN 35 206.792 18.282 9.221 286 HG3 GLN 35 HG1 GLN 35 208.058 17.511 10.175 287 HE21 GLN 35 HE21 GLN 35 205.439 17.946 11.074 288 HE22 GLN 35 HE22 GLN 35 205.495 19.057 12.396 289 H LYS 36 HN LYS 36 205.831 19.450 7.091 290 HA LYS 36 HA LYS 36 205.008 22.206 7.615 291 HB2 LYS 36 HB2 LYS 36 203.362 20.039 6.316 292 HB3 LYS 36 HB1 LYS 36 203.117 21.777 6.230 293 HG2 LYS 36 HG2 LYS 36 205.659 20.634 5.187 294 HG3 LYS 36 HG1 LYS 36 204.183 20.463 4.235 295 HD2 LYS 36 HD2 LYS 36 204.933 23.136 5.342 296 HD3 LYS 36 HD1 LYS 36 205.734 22.535 3.888 297 HE2 LYS 36 HE2 LYS 36 203.007 22.056 3.491 298 HE3 LYS 36 HE1 LYS 36 203.101 23.668 4.201 299 HZ1 LYS 36 HZ1 LYS 36 204.211 24.492 2.415 300 HZ2 LYS 36 HZ2 LYS 36 203.332 23.282 1.626 301 HZ3 LYS 36 HZ3 LYS 36 204.953 23.020 2.030 302 H LYS 37 HN LYS 37 202.813 22.530 8.566 303 HA LYS 37 HA LYS 37 202.156 20.484 10.573 304 HB2 LYS 37 HB2 LYS 37 202.635 23.422 11.007 305 HB3 LYS 37 HB1 LYS 37 201.640 22.485 12.114 306 HG2 LYS 37 HG2 LYS 37 204.412 21.599 11.420 307 HG3 LYS 37 HG1 LYS 37 204.128 22.821 12.661 308 HD2 LYS 37 HD2 LYS 37 202.769 20.135 12.667 309 HD3 LYS 37 HD1 LYS 37 204.312 20.430 13.471 310 HE2 LYS 37 HE2 LYS 37 202.854 22.487 14.436 311 HE3 LYS 37 HE1 LYS 37 201.589 21.280 14.213 312 HZ1 LYS 37 HZ1 LYS 37 204.094 20.877 15.757 313 HZ2 LYS 37 HZ2 LYS 37 202.856 19.741 15.566 314 HZ3 LYS 37 HZ3 LYS 37 202.567 21.169 16.425 315 H GLY 38 HN GLY 38 200.172 19.807 10.090 316 HA2 GLY 38 HA2 GLY 38 197.840 21.074 10.415 317 HA3 GLY 38 HA1 GLY 38 198.277 21.591 8.794 318 HA PRO 39 HA PRO 39 195.960 17.581 8.450 319 HB2 PRO 39 HB2 PRO 39 194.306 18.919 6.474 320 HB3 PRO 39 HB1 PRO 39 193.830 18.199 8.012 321 HG2 PRO 39 HG2 PRO 39 193.783 20.880 7.541 322 HG3 PRO 39 HG1 PRO 39 194.029 20.176 9.149 323 HD2 PRO 39 HD2 PRO 39 196.050 21.286 7.235 324 HD3 PRO 39 HD1 PRO 39 195.948 21.472 9.000 325 H THR 40 HN THR 40 197.992 19.391 6.566 326 HA THR 40 HA THR 40 197.748 17.558 4.277 327 HB THR 40 HB THR 40 199.298 19.478 3.260 328 HG1 THR 40 HG1 THR 40 198.603 21.491 4.062 329 HG21 THR 40 HG21 THR 40 196.913 20.730 2.914 330 HG22 THR 40 HG22 THR 40 196.405 19.089 3.313 331 HG23 THR 40 HG23 THR 40 197.495 19.369 1.954 332 H ALA 41 HN ALA 41 199.283 17.424 6.956 333 HA ALA 41 HA ALA 41 202.047 17.406 6.145 334 HB1 ALA 41 HB1 ALA 41 201.896 17.952 8.364 335 HB2 ALA 41 HB2 ALA 41 202.212 16.221 8.483 336 HB3 ALA 41 HB3 ALA 41 200.567 16.832 8.664 337 H VAL 42 HN VAL 42 199.444 15.198 6.034 338 HA VAL 42 HA VAL 42 200.565 12.690 6.374 339 HB VAL 42 HB VAL 42 198.483 13.655 4.405 340 HG11 VAL 42 HG11 VAL 42 198.683 11.718 3.332 341 HG12 VAL 42 HG12 VAL 42 198.048 10.950 4.787 342 HG13 VAL 42 HG13 VAL 42 199.789 11.074 4.543 343 HG21 VAL 42 HG21 VAL 42 198.484 12.726 7.199 344 HG22 VAL 42 HG22 VAL 42 197.187 12.101 6.181 345 HG23 VAL 42 HG23 VAL 42 197.398 13.841 6.371 346 H ASN 43 HN ASN 43 201.055 14.981 3.792 347 HA ASN 43 HA ASN 43 202.058 13.216 1.846 348 HB2 ASN 43 HB2 ASN 43 203.206 15.334 0.962 349 HB3 ASN 43 HB1 ASN 43 201.448 15.346 1.062 350 HD21 ASN 43 HD21 ASN 43 201.643 17.653 1.027 351 HD22 ASN 43 HD22 ASN 43 202.005 18.511 2.483 352 H GLN 44 HN GLN 44 203.367 14.058 4.826 353 HA GLN 44 HA GLN 44 206.064 13.292 3.928 354 HB2 GLN 44 HB2 GLN 44 205.123 15.280 5.956 355 HB3 GLN 44 HB1 GLN 44 206.648 14.452 6.222 356 HG2 GLN 44 HG2 GLN 44 207.696 15.792 4.811 357 HG3 GLN 44 HG1 GLN 44 206.535 15.430 3.534 358 HE21 GLN 44 HE21 GLN 44 207.720 17.918 3.819 359 HE22 GLN 44 HE22 GLN 44 206.511 19.069 4.265 360 H LEU 45 HN LEU 45 203.435 12.049 5.180 361 HA LEU 45 HA LEU 45 204.844 10.473 7.210 362 HB2 LEU 45 HB2 LEU 45 201.949 11.197 7.002 363 HB3 LEU 45 HB1 LEU 45 202.553 10.029 8.110 364 HG LEU 45 HG LEU 45 204.110 12.324 8.531 365 HD11 LEU 45 HD11 LEU 45 201.305 13.168 8.912 366 HD12 LEU 45 HD12 LEU 45 201.953 13.232 7.278 367 HD13 LEU 45 HD13 LEU 45 202.746 14.125 8.569 368 HD21 LEU 45 HD21 LEU 45 203.117 12.253 10.730 369 HD22 LEU 45 HD22 LEU 45 203.429 10.609 10.173 370 HD23 LEU 45 HD23 LEU 45 201.790 11.257 10.133 371 H TRP 46 HN TRP 46 204.750 8.296 7.156 372 HA TRP 46 HA TRP 46 203.169 7.046 5.030 373 HB2 TRP 46 HB2 TRP 46 206.074 6.540 5.663 374 HB3 TRP 46 HB1 TRP 46 205.103 5.598 4.543 375 HD1 TRP 46 HD1 TRP 46 205.939 9.378 4.963 376 HE1 TRP 46 HE1 TRP 46 206.395 10.341 2.617 377 HE3 TRP 46 HE3 TRP 46 205.131 5.166 2.180 378 HZ2 TRP 46 HZ2 TRP 46 206.402 9.435 -0.060 379 HZ3 TRP 46 HZ3 TRP 46 205.372 5.300 -0.261 380 HH2 TRP 46 HH2 TRP 46 205.996 7.390 -1.359 381 H TYR 47 HN TYR 47 203.154 4.614 5.312 382 HA TYR 47 HA TYR 47 203.431 3.798 8.091 383 HB2 TYR 47 HB2 TYR 47 201.180 2.823 8.164 384 HB3 TYR 47 HB1 TYR 47 201.125 4.565 7.947 385 HD1 TYR 47 HD2 TYR 47 200.946 1.379 6.024 386 HD2 TYR 47 HD1 TYR 47 199.838 5.476 6.261 387 HE1 TYR 47 HE2 TYR 47 199.470 1.087 4.077 388 HE2 TYR 47 HE1 TYR 47 198.355 5.197 4.319 389 HH TYR 47 HH TYR 47 197.487 2.156 3.096 390 H THR 48 HN THR 48 203.099 1.360 8.299 391 HA THR 48 HA THR 48 204.259 0.088 5.915 392 HB THR 48 HB THR 48 205.094 -1.640 7.492 393 HG1 THR 48 HG1 THR 48 204.172 0.111 9.518 394 HG21 THR 48 HG21 THR 48 206.602 -0.058 8.865 395 HG22 THR 48 HG22 THR 48 205.862 1.214 7.892 396 HG23 THR 48 HG23 THR 48 206.753 -0.091 7.108 397 H ASP 49 HN ASP 49 203.246 -1.536 4.901 398 HA ASP 49 HA ASP 49 200.552 -2.152 5.682 399 HB2 ASP 49 HB2 ASP 49 201.290 -1.911 3.306 400 HB3 ASP 49 HB1 ASP 49 202.197 -3.409 3.476 401 H GLN 50 HN GLN 50 199.778 -4.449 5.725 402 HA GLN 50 HA GLN 50 200.945 -5.841 7.848 403 HB2 GLN 50 HB2 GLN 50 198.989 -6.750 5.736 404 HB3 GLN 50 HB1 GLN 50 199.433 -7.727 7.128 405 HG2 GLN 50 HG2 GLN 50 198.316 -6.382 8.607 406 HG3 GLN 50 HG1 GLN 50 198.434 -4.960 7.571 407 HE21 GLN 50 HE21 GLN 50 196.590 -4.348 6.725 408 HE22 GLN 50 HE22 GLN 50 195.255 -5.370 6.326 409 H GLN 51 HN GLN 51 201.591 -5.948 4.446 410 HA GLN 51 HA GLN 51 203.114 -8.426 4.680 411 HB2 GLN 51 HB2 GLN 51 202.634 -6.683 2.258 412 HB3 GLN 51 HB1 GLN 51 203.366 -8.281 2.257 413 HG2 GLN 51 HG2 GLN 51 200.670 -8.040 3.447 414 HG3 GLN 51 HG1 GLN 51 200.800 -7.859 1.699 415 HE21 GLN 51 HE21 GLN 51 202.445 -9.598 0.792 416 HE22 GLN 51 HE22 GLN 51 202.078 -11.217 1.272 417 H GLY 52 HN GLY 52 203.677 -5.216 5.257 418 HA2 GLY 52 HA2 GLY 52 205.810 -4.453 5.979 419 HA3 GLY 52 HA1 GLY 52 206.560 -5.611 4.893 420 H VAL 53 HN VAL 53 204.035 -4.069 3.309 421 HA VAL 53 HA VAL 53 205.913 -2.451 1.790 422 HB VAL 53 HB VAL 53 202.970 -2.897 1.286 423 HG11 VAL 53 HG11 VAL 53 203.184 -1.678 -0.579 424 HG12 VAL 53 HG12 VAL 53 204.767 -2.358 -0.958 425 HG13 VAL 53 HG13 VAL 53 204.631 -1.028 0.193 426 HG21 VAL 53 HG21 VAL 53 205.328 -4.585 0.747 427 HG22 VAL 53 HG22 VAL 53 204.193 -4.389 -0.589 428 HG23 VAL 53 HG23 VAL 53 203.634 -5.030 0.956 429 H ILE 54 HN ILE 54 206.232 -0.392 2.307 430 HA ILE 54 HA ILE 54 204.464 0.976 4.084 431 HB ILE 54 HB ILE 54 205.976 2.991 3.423 432 HG12 ILE 54 HG12 ILE 54 208.131 1.067 2.911 433 HG13 ILE 54 HG11 ILE 54 206.967 1.209 1.596 434 HG21 ILE 54 HG21 ILE 54 206.137 2.233 5.595 435 HG22 ILE 54 HG22 ILE 54 207.779 2.017 4.989 436 HG23 ILE 54 HG23 ILE 54 206.693 0.633 5.105 437 HD11 ILE 54 HD11 ILE 54 209.068 2.735 1.670 438 HD12 ILE 54 HD12 ILE 54 208.105 3.676 2.810 439 HD13 ILE 54 HD13 ILE 54 207.509 3.393 1.174 440 H ARG 55 HN ARG 55 203.174 2.699 3.688 441 HA ARG 55 HA ARG 55 202.857 3.718 0.993 442 HB2 ARG 55 HB2 ARG 55 200.642 2.250 2.429 443 HB3 ARG 55 HB1 ARG 55 200.375 3.297 1.045 444 HG2 ARG 55 HG2 ARG 55 200.869 1.651 -0.352 445 HG3 ARG 55 HG1 ARG 55 202.429 1.406 0.423 446 HD2 ARG 55 HD2 ARG 55 201.696 -0.548 1.163 447 HD3 ARG 55 HD1 ARG 55 200.533 0.313 2.170 448 HE ARG 55 HE ARG 55 199.184 0.226 -0.088 449 HH11 ARG 55 HH11 ARG 55 201.087 -2.301 1.395 450 HH12 ARG 55 HH12 ARG 55 200.132 -3.579 0.727 451 HH21 ARG 55 HH21 ARG 55 197.931 -1.457 -0.962 452 HH22 ARG 55 HH22 ARG 55 198.342 -3.102 -0.609 453 H SER 56 HN SER 56 202.299 5.818 1.016 454 HA SER 56 HA SER 56 202.445 7.338 3.309 455 HB2 SER 56 HB2 SER 56 201.085 7.976 0.686 456 HB3 SER 56 HB1 SER 56 201.380 9.166 1.954 457 HG SER 56 HG SER 56 203.357 7.632 0.610 458 H LYS 57 HN LYS 57 201.091 8.340 4.648 459 HA LYS 57 HA LYS 57 198.857 6.963 5.535 460 HB2 LYS 57 HB2 LYS 57 200.268 8.559 6.842 461 HB3 LYS 57 HB1 LYS 57 199.442 9.875 6.018 462 HG2 LYS 57 HG2 LYS 57 197.301 8.690 6.863 463 HG3 LYS 57 HG1 LYS 57 198.405 7.951 8.022 464 HD2 LYS 57 HD2 LYS 57 198.606 9.850 9.204 465 HD3 LYS 57 HD1 LYS 57 198.771 10.835 7.750 466 HE2 LYS 57 HE2 LYS 57 196.314 10.685 7.434 467 HE3 LYS 57 HE1 LYS 57 196.205 9.824 8.969 468 HZ1 LYS 57 HZ1 LYS 57 195.882 11.889 9.759 469 HZ2 LYS 57 HZ2 LYS 57 196.646 12.646 8.454 470 HZ3 LYS 57 HZ3 LYS 57 197.571 11.984 9.706 471 H LEU 58 HN LEU 58 199.127 9.258 2.991 472 HA LEU 58 HA LEU 58 196.717 10.536 2.927 473 HB2 LEU 58 HB2 LEU 58 196.918 10.323 0.380 474 HB3 LEU 58 HB1 LEU 58 198.188 11.151 1.259 475 HG LEU 58 HG LEU 58 199.127 8.567 1.177 476 HD11 LEU 58 HD11 LEU 58 198.602 7.499 -0.743 477 HD12 LEU 58 HD12 LEU 58 198.351 8.997 -1.639 478 HD13 LEU 58 HD13 LEU 58 197.096 8.397 -0.556 479 HD21 LEU 58 HD21 LEU 58 200.643 9.439 -0.589 480 HD22 LEU 58 HD22 LEU 58 200.479 10.515 0.798 481 HD23 LEU 58 HD23 LEU 58 199.622 10.872 -0.701 482 H ASN 59 HN ASN 59 197.360 7.245 1.730 483 HA ASN 59 HA ASN 59 194.744 6.369 2.357 484 HB2 ASN 59 HB2 ASN 59 194.229 7.750 0.347 485 HB3 ASN 59 HB1 ASN 59 195.281 6.705 -0.601 486 HD21 ASN 59 HD21 ASN 59 194.647 4.576 -1.010 487 HD22 ASN 59 HD22 ASN 59 193.003 4.071 -0.842 488 H ASP 60 HN ASP 60 196.850 5.575 -0.409 489 HA ASP 60 HA ASP 60 198.153 3.407 0.805 490 HB2 ASP 60 HB2 ASP 60 195.485 2.818 0.212 491 HB3 ASP 60 HB1 ASP 60 196.404 2.077 -1.095 492 H PHE 61 HN PHE 61 199.782 4.571 -0.367 493 HA PHE 61 HA PHE 61 200.020 3.625 -3.125 494 HB2 PHE 61 HB2 PHE 61 199.723 6.414 -2.291 495 HB3 PHE 61 HB1 PHE 61 201.163 6.138 -3.266 496 HD1 PHE 61 HD1 PHE 61 197.544 5.231 -3.251 497 HD2 PHE 61 HD2 PHE 61 200.959 6.329 -5.539 498 HE1 PHE 61 HE1 PHE 61 196.165 5.258 -5.288 499 HE2 PHE 61 HE2 PHE 61 199.586 6.361 -7.580 500 HZ PHE 61 HZ PHE 61 197.185 5.825 -7.457 501 H ALA 62 HN ALA 62 201.908 2.640 -3.391 502 HA ALA 62 HA ALA 62 204.066 3.204 -1.482 503 HB1 ALA 62 HB1 ALA 62 204.820 1.042 -1.765 504 HB2 ALA 62 HB2 ALA 62 204.115 0.894 -3.374 505 HB3 ALA 62 HB3 ALA 62 203.078 0.841 -1.949 506 H ILE 63 HN ILE 63 206.187 3.581 -2.168 507 HA ILE 63 HA ILE 63 206.404 5.000 -4.662 508 HB ILE 63 HB ILE 63 208.889 4.340 -3.197 509 HG12 ILE 63 HG12 ILE 63 207.936 6.544 -1.786 510 HG13 ILE 63 HG11 ILE 63 206.573 5.432 -1.808 511 HG21 ILE 63 HG21 ILE 63 209.375 6.685 -3.644 512 HG22 ILE 63 HG22 ILE 63 207.740 6.914 -4.263 513 HG23 ILE 63 HG23 ILE 63 208.861 5.848 -5.107 514 HD11 ILE 63 HD11 ILE 63 207.927 5.079 0.160 515 HD12 ILE 63 HD12 ILE 63 209.357 4.826 -0.841 516 HD13 ILE 63 HD13 ILE 63 208.024 3.672 -0.900 517 H ASP 64 HN ASP 64 207.867 4.511 -6.373 518 HA ASP 64 HA ASP 64 208.810 1.739 -6.428 519 HB2 ASP 64 HB2 ASP 64 207.963 1.351 -8.617 520 HB3 ASP 64 HB1 ASP 64 206.638 1.995 -7.654 521 H ALA 65 HN ALA 65 210.779 1.449 -7.126 522 HA ALA 65 HA ALA 65 212.265 3.780 -8.111 523 HB1 ALA 65 HB1 ALA 65 213.593 2.959 -6.482 524 HB2 ALA 65 HB2 ALA 65 214.192 1.949 -7.797 525 HB3 ALA 65 HB3 ALA 65 212.996 1.311 -6.670 526 H SER 66 HN SER 66 210.517 2.693 -9.971 527 HA SER 66 HA SER 66 211.850 0.859 -11.712 528 HB2 SER 66 HB2 SER 66 209.989 1.153 -13.190 529 HB3 SER 66 HB1 SER 66 209.349 1.157 -11.548 530 HG SER 66 HG SER 66 208.479 2.857 -12.801 531 H HIS 67 HN HIS 67 211.346 4.361 -11.724 532 HA HIS 67 HA HIS 67 213.048 4.609 -14.089 533 HB2 HIS 67 HB2 HIS 67 211.263 6.566 -12.648 534 HB3 HIS 67 HB1 HIS 67 212.329 7.028 -13.963 535 HD1 HIS 67 HD1 HIS 67 209.725 4.283 -13.493 536 HD2 HIS 67 HD2 HIS 67 210.940 7.126 -16.269 537 HE1 HIS 67 HE1 HIS 67 208.168 4.020 -15.450 538 HE2 HIS 67 HE2 HIS 67 208.864 5.813 -17.078 539 H GLU 68 HN GLU 68 214.527 6.620 -14.033 540 HA GLU 68 HA GLU 68 216.620 6.215 -12.313 541 HB2 GLU 68 HB2 GLU 68 215.886 8.915 -13.447 542 HB3 GLU 68 HB1 GLU 68 217.491 8.343 -13.014 543 HG2 GLU 68 HG2 GLU 68 217.161 6.557 -14.792 544 HG3 GLU 68 HG1 GLU 68 215.775 7.507 -15.326 545 H GLN 69 HN GLN 69 213.926 8.471 -11.922 546 HA GLN 69 HA GLN 69 214.822 9.028 -9.185 547 HB2 GLN 69 HB2 GLN 69 212.560 10.618 -9.893 548 HB3 GLN 69 HB1 GLN 69 214.205 11.140 -9.575 549 HG2 GLN 69 HG2 GLN 69 213.204 10.209 -12.254 550 HG3 GLN 69 HG1 GLN 69 213.319 11.894 -11.753 551 HE21 GLN 69 HE21 GLN 69 214.625 11.391 -13.938 552 HE22 GLN 69 HE22 GLN 69 216.328 11.254 -13.685 553 H ILE 70 HN ILE 70 213.434 8.669 -7.438 554 HA ILE 70 HA ILE 70 211.539 6.563 -7.867 555 HB ILE 70 HB ILE 70 211.647 7.913 -5.220 556 HG12 ILE 70 HG12 ILE 70 213.989 7.918 -5.871 557 HG13 ILE 70 HG11 ILE 70 213.715 6.672 -4.662 558 HG21 ILE 70 HG21 ILE 70 212.022 5.012 -5.570 559 HG22 ILE 70 HG22 ILE 70 210.480 5.661 -6.124 560 HG23 ILE 70 HG23 ILE 70 210.986 5.895 -4.450 561 HD11 ILE 70 HD11 ILE 70 213.379 5.193 -6.844 562 HD12 ILE 70 HD12 ILE 70 214.960 5.470 -6.113 563 HD13 ILE 70 HD13 ILE 70 214.454 6.422 -7.510 564 H GLU 71 HN GLU 71 209.403 6.541 -7.642 565 HA GLU 71 HA GLU 71 207.970 9.052 -7.165 566 HB2 GLU 71 HB2 GLU 71 206.511 8.652 -9.117 567 HB3 GLU 71 HB1 GLU 71 208.183 8.935 -9.579 568 HG2 GLU 71 HG2 GLU 71 208.264 6.288 -9.465 569 HG3 GLU 71 HG1 GLU 71 206.541 6.480 -9.787 570 H THR 72 HN THR 72 205.586 8.666 -6.957 571 HA THR 72 HA THR 72 205.153 6.174 -5.477 572 HB THR 72 HB THR 72 203.235 7.421 -4.450 573 HG1 THR 72 HG1 THR 72 204.401 9.674 -5.708 574 HG21 THR 72 HG21 THR 72 206.041 7.929 -4.027 575 HG22 THR 72 HG22 THR 72 204.733 7.759 -2.855 576 HG23 THR 72 HG23 THR 72 205.055 9.327 -3.596 577 H GLN 73 HN GLN 73 203.522 4.795 -5.983 578 HA GLN 73 HA GLN 73 201.372 5.493 -7.722 579 HB2 GLN 73 HB2 GLN 73 202.546 3.290 -9.103 580 HB3 GLN 73 HB1 GLN 73 202.165 4.887 -9.720 581 HG2 GLN 73 HG2 GLN 73 204.372 5.677 -8.975 582 HG3 GLN 73 HG1 GLN 73 204.750 4.044 -8.428 583 HE21 GLN 73 HE21 GLN 73 205.063 2.414 -9.971 584 HE22 GLN 73 HE22 GLN 73 205.407 2.781 -11.623 585 HA PRO 74 HA PRO 74 199.325 2.062 -5.884 586 HB2 PRO 74 HB2 PRO 74 198.795 0.845 -8.539 587 HB3 PRO 74 HB1 PRO 74 197.658 1.335 -7.279 588 HG2 PRO 74 HG2 PRO 74 197.926 2.766 -9.514 589 HG3 PRO 74 HG1 PRO 74 197.668 3.553 -7.946 590 HD2 PRO 74 HD2 PRO 74 200.188 3.259 -9.529 591 HD3 PRO 74 HD1 PRO 74 199.613 4.638 -8.569 592 H PHE 75 HN PHE 75 199.960 0.165 -5.002 593 HA PHE 75 HA PHE 75 202.408 -1.017 -5.789 594 HB2 PHE 75 HB2 PHE 75 201.635 -1.023 -3.463 595 HB3 PHE 75 HB1 PHE 75 200.273 -2.045 -3.907 596 HD1 PHE 75 HD2 PHE 75 203.840 -2.286 -4.930 597 HD2 PHE 75 HD1 PHE 75 200.618 -4.029 -2.764 598 HE1 PHE 75 HE2 PHE 75 205.210 -4.286 -4.510 599 HE2 PHE 75 HE1 PHE 75 201.983 -6.032 -2.339 600 HZ PHE 75 HZ PHE 75 204.282 -6.162 -3.212 601 H ASP 76 HN ASP 76 202.823 -2.570 -7.215 602 HA ASP 76 HA ASP 76 200.566 -4.160 -8.243 603 HB2 ASP 76 HB2 ASP 76 201.453 -2.593 -9.922 604 HB3 ASP 76 HB1 ASP 76 203.059 -3.285 -9.720 605 HA PRO 77 HA PRO 77 202.723 -7.708 -6.718 606 HB2 PRO 77 HB2 PRO 77 201.632 -9.614 -8.337 607 HB3 PRO 77 HB1 PRO 77 200.787 -8.904 -6.957 608 HG2 PRO 77 HG2 PRO 77 200.568 -8.227 -9.865 609 HG3 PRO 77 HG1 PRO 77 199.281 -8.403 -8.656 610 HD2 PRO 77 HD2 PRO 77 200.188 -5.989 -9.431 611 HD3 PRO 77 HD1 PRO 77 199.657 -6.302 -7.767 612 H ASN 78 HN ASN 78 202.665 -7.088 -10.201 613 HA ASN 78 HA ASN 78 204.951 -8.822 -10.635 614 HB2 ASN 78 HB2 ASN 78 203.049 -7.326 -12.374 615 HB3 ASN 78 HB1 ASN 78 204.638 -7.710 -13.029 616 HD21 ASN 78 HD21 ASN 78 201.710 -8.697 -13.327 617 HD22 ASN 78 HD22 ASN 78 201.893 -10.415 -13.369 618 H ASN 79 HN ASN 79 204.628 -5.748 -9.483 619 HA ASN 79 HA ASN 79 207.068 -4.790 -10.816 620 HB2 ASN 79 HB2 ASN 79 204.957 -3.281 -9.266 621 HB3 ASN 79 HB1 ASN 79 206.427 -2.556 -9.910 622 HD21 ASN 79 HD21 ASN 79 205.709 -1.263 -11.467 623 HD22 ASN 79 HD22 ASN 79 204.728 -1.757 -12.800 624 HA PRO 80 HA PRO 80 208.789 -5.864 -6.750 625 HB2 PRO 80 HB2 PRO 80 211.368 -5.956 -8.051 626 HB3 PRO 80 HB1 PRO 80 210.427 -7.286 -7.377 627 HG2 PRO 80 HG2 PRO 80 210.897 -6.951 -10.054 628 HG3 PRO 80 HG1 PRO 80 209.499 -7.816 -9.394 629 HD2 PRO 80 HD2 PRO 80 209.677 -5.022 -10.451 630 HD3 PRO 80 HD1 PRO 80 208.386 -6.226 -10.653 631 H LYS 81 HN LYS 81 208.566 -3.070 -8.112 632 HA LYS 81 HA LYS 81 210.811 -1.831 -6.693 633 HB2 LYS 81 HB2 LYS 81 209.277 -0.981 -9.144 634 HB3 LYS 81 HB1 LYS 81 210.350 0.095 -8.271 635 HG2 LYS 81 HG2 LYS 81 211.739 -0.675 -9.914 636 HG3 LYS 81 HG1 LYS 81 212.086 -1.818 -8.615 637 HD2 LYS 81 HD2 LYS 81 211.803 -3.039 -10.667 638 HD3 LYS 81 HD1 LYS 81 210.431 -3.373 -9.610 639 HE2 LYS 81 HE2 LYS 81 209.026 -2.672 -11.179 640 HE3 LYS 81 HE1 LYS 81 209.814 -1.095 -11.206 641 HZ1 LYS 81 HZ1 LYS 81 209.728 -2.732 -13.297 642 HZ2 LYS 81 HZ2 LYS 81 211.195 -3.226 -12.615 643 HZ3 LYS 81 HZ3 LYS 81 210.969 -1.608 -13.051 644 H ARG 82 HN ARG 82 207.381 -2.086 -7.010 645 HA ARG 82 HA ARG 82 206.802 0.357 -5.571 646 HB2 ARG 82 HB2 ARG 82 205.103 -1.822 -6.742 647 HB3 ARG 82 HB1 ARG 82 204.420 -0.553 -5.733 648 HG2 ARG 82 HG2 ARG 82 204.827 1.094 -7.294 649 HG3 ARG 82 HG1 ARG 82 206.104 0.168 -8.088 650 HD2 ARG 82 HD2 ARG 82 204.630 -1.099 -9.287 651 HD3 ARG 82 HD1 ARG 82 203.346 -0.932 -8.092 652 HE ARG 82 HE ARG 82 203.565 1.569 -9.048 653 HH11 ARG 82 HH11 ARG 82 203.252 -1.523 -10.636 654 HH12 ARG 82 HH12 ARG 82 202.438 -0.871 -12.019 655 HH21 ARG 82 HH21 ARG 82 202.494 2.427 -10.868 656 HH22 ARG 82 HH22 ARG 82 202.008 1.370 -12.150 657 H ALA 83 HN ALA 83 208.236 -2.038 -4.305 658 HA ALA 83 HA ALA 83 206.495 -2.163 -1.932 659 HB1 ALA 83 HB1 ALA 83 206.280 -4.358 -2.162 660 HB2 ALA 83 HB2 ALA 83 208.022 -4.519 -1.935 661 HB3 ALA 83 HB3 ALA 83 207.355 -4.356 -3.560 662 H TRP 84 HN TRP 84 207.578 -0.725 -0.688 663 HA TRP 84 HA TRP 84 210.462 -1.170 -0.316 664 HB2 TRP 84 HB2 TRP 84 208.771 1.285 0.164 665 HB3 TRP 84 HB1 TRP 84 210.486 1.163 0.555 666 HD1 TRP 84 HD1 TRP 84 208.182 0.917 -2.552 667 HE1 TRP 84 HE1 TRP 84 209.530 1.695 -4.601 668 HE3 TRP 84 HE3 TRP 84 212.698 1.658 -0.299 669 HZ2 TRP 84 HZ2 TRP 84 212.159 2.533 -5.172 670 HZ3 TRP 84 HZ3 TRP 84 214.579 2.447 -1.662 671 HH2 TRP 84 HH2 TRP 84 214.315 2.875 -4.052 672 H ILE 85 HN ILE 85 211.316 -1.584 1.612 673 HA ILE 85 HA ILE 85 209.465 -1.825 3.899 674 HB ILE 85 HB ILE 85 211.114 -3.527 4.771 675 HG12 ILE 85 HG12 ILE 85 212.065 -4.032 2.013 676 HG13 ILE 85 HG11 ILE 85 212.758 -2.627 2.816 677 HG21 ILE 85 HG21 ILE 85 210.234 -4.822 2.333 678 HG22 ILE 85 HG22 ILE 85 208.977 -3.799 3.028 679 HG23 ILE 85 HG23 ILE 85 209.712 -5.075 3.998 680 HD11 ILE 85 HD11 ILE 85 214.219 -4.399 3.261 681 HD12 ILE 85 HD12 ILE 85 212.899 -5.503 3.644 682 HD13 ILE 85 HD13 ILE 85 213.290 -4.182 4.744 683 H VAL 86 HN VAL 86 210.329 -1.307 6.012 684 HA VAL 86 HA VAL 86 212.437 0.721 5.843 685 HB VAL 86 HB VAL 86 210.689 0.234 8.240 686 HG11 VAL 86 HG11 VAL 86 212.851 1.781 8.017 687 HG12 VAL 86 HG12 VAL 86 211.475 2.207 9.034 688 HG13 VAL 86 HG13 VAL 86 211.637 2.916 7.427 689 HG21 VAL 86 HG21 VAL 86 209.082 1.810 7.429 690 HG22 VAL 86 HG22 VAL 86 209.283 0.564 6.198 691 HG23 VAL 86 HG23 VAL 86 210.050 2.138 5.993 692 H SER 87 HN SER 87 214.388 0.336 6.621 693 HA SER 87 HA SER 87 214.738 -1.900 8.508 694 HB2 SER 87 HB2 SER 87 215.774 -2.528 6.446 695 HB3 SER 87 HB1 SER 87 216.534 -0.946 6.272 696 HG SER 87 HG SER 87 217.085 -2.727 8.408 697 H GLY 88 HN GLY 88 214.667 -0.708 10.395 698 HA2 GLY 88 HA2 GLY 88 215.613 0.486 12.117 699 HA3 GLY 88 HA1 GLY 88 217.073 0.609 11.148 700 H ASN 89 HN ASN 89 217.521 2.459 10.092 701 HA ASN 89 HA ASN 89 215.545 4.632 10.316 702 HB2 ASN 89 HB2 ASN 89 217.393 6.167 10.667 703 HB3 ASN 89 HB1 ASN 89 217.496 4.863 11.844 704 HD21 ASN 89 HD21 ASN 89 218.692 5.794 8.629 705 HD22 ASN 89 HD22 ASN 89 220.254 5.084 8.817 706 H THR 90 HN THR 90 216.000 2.767 8.068 707 HA THR 90 HA THR 90 216.430 4.796 6.033 708 HB THR 90 HB THR 90 217.844 2.832 4.887 709 HG1 THR 90 HG1 THR 90 217.660 1.605 6.893 710 HG21 THR 90 HG21 THR 90 218.473 5.287 5.566 711 HG22 THR 90 HG22 THR 90 219.711 4.106 5.140 712 HG23 THR 90 HG23 THR 90 219.374 4.457 6.835 713 H ILE 91 HN ILE 91 215.529 4.366 4.058 714 HA ILE 91 HA ILE 91 213.474 2.277 4.044 715 HB ILE 91 HB ILE 91 213.891 4.388 1.926 716 HG12 ILE 91 HG12 ILE 91 213.702 5.568 4.043 717 HG13 ILE 91 HG11 ILE 91 212.201 5.746 3.140 718 HG21 ILE 91 HG21 ILE 91 211.593 3.997 1.394 719 HG22 ILE 91 HG22 ILE 91 211.382 2.971 2.812 720 HG23 ILE 91 HG23 ILE 91 212.402 2.433 1.478 721 HD11 ILE 91 HD11 ILE 91 212.010 3.449 4.815 722 HD12 ILE 91 HD12 ILE 91 211.056 4.933 4.843 723 HD13 ILE 91 HD13 ILE 91 212.552 4.828 5.772 724 H ALA 92 HN ALA 92 213.851 0.402 3.038 725 HA ALA 92 HA ALA 92 215.841 0.390 0.862 726 HB1 ALA 92 HB1 ALA 92 216.519 -0.659 3.101 727 HB2 ALA 92 HB2 ALA 92 216.790 -1.595 1.631 728 HB3 ALA 92 HB3 ALA 92 215.414 -1.963 2.670 729 H GLN 93 HN GLN 93 215.506 -0.905 -0.884 730 HA GLN 93 HA GLN 93 212.850 -1.420 -1.672 731 HB2 GLN 93 HB2 GLN 93 215.109 -1.039 -3.007 732 HB3 GLN 93 HB1 GLN 93 215.144 -2.794 -2.993 733 HG2 GLN 93 HG2 GLN 93 213.935 -2.667 -4.846 734 HG3 GLN 93 HG1 GLN 93 212.584 -2.276 -3.783 735 HE21 GLN 93 HE21 GLN 93 215.391 -0.316 -4.668 736 HE22 GLN 93 HE22 GLN 93 214.490 0.963 -5.397 737 H LEU 94 HN LEU 94 211.784 -3.364 -2.065 738 HA LEU 94 HA LEU 94 212.071 -5.355 -0.111 739 HB2 LEU 94 HB2 LEU 94 210.277 -6.502 -1.154 740 HB3 LEU 94 HB1 LEU 94 209.950 -4.791 -1.296 741 HG LEU 94 HG LEU 94 211.079 -6.466 -3.542 742 HD11 LEU 94 HD11 LEU 94 209.064 -7.354 -3.752 743 HD12 LEU 94 HD12 LEU 94 208.493 -5.748 -4.200 744 HD13 LEU 94 HD13 LEU 94 208.383 -6.288 -2.525 745 HD21 LEU 94 HD21 LEU 94 209.792 -4.358 -4.671 746 HD22 LEU 94 HD22 LEU 94 211.522 -4.404 -4.343 747 HD23 LEU 94 HD23 LEU 94 210.432 -3.621 -3.210 748 H SER 95 HN SER 95 212.683 -5.640 -3.630 749 HA SER 95 HA SER 95 213.948 -8.186 -3.291 750 HB2 SER 95 HB2 SER 95 213.556 -6.370 -5.663 751 HB3 SER 95 HB1 SER 95 214.473 -7.873 -5.772 752 HG SER 95 HG SER 95 212.547 -8.913 -4.913 753 H ASP 96 HN ASP 96 215.096 -5.159 -2.645 754 HA ASP 96 HA ASP 96 217.845 -6.083 -3.018 755 HB2 ASP 96 HB2 ASP 96 216.758 -3.405 -3.891 756 HB3 ASP 96 HB1 ASP 96 218.476 -3.724 -3.681 757 H ARG 97 HN ARG 97 217.847 -6.512 -0.776 758 HA ARG 97 HA ARG 97 217.208 -4.564 1.180 759 HB2 ARG 97 HB2 ARG 97 218.439 -7.240 1.126 760 HB3 ARG 97 HB1 ARG 97 218.994 -6.209 2.437 761 HG2 ARG 97 HG2 ARG 97 217.218 -7.218 3.442 762 HG3 ARG 97 HG1 ARG 97 216.420 -5.795 2.768 763 HD2 ARG 97 HD2 ARG 97 214.988 -7.243 1.846 764 HD3 ARG 97 HD1 ARG 97 216.282 -7.590 0.700 765 HE ARG 97 HE ARG 97 216.822 -9.272 2.737 766 HH11 ARG 97 HH11 ARG 97 213.918 -8.631 0.911 767 HH12 ARG 97 HH12 ARG 97 213.301 -10.239 1.089 768 HH21 ARG 97 HH21 ARG 97 216.012 -11.387 2.972 769 HH22 ARG 97 HH22 ARG 97 214.489 -11.803 2.260 770 H ASP 98 HN ASP 98 219.863 -5.001 -0.911 771 HA ASP 98 HA ASP 98 221.696 -3.446 0.740 772 HB2 ASP 98 HB2 ASP 98 222.082 -4.621 -2.023 773 HB3 ASP 98 HB1 ASP 98 223.335 -3.872 -1.038 774 H ILE 99 HN ILE 99 219.128 -2.632 -0.913 775 HA ILE 99 HA ILE 99 220.314 -0.194 -2.057 776 HB ILE 99 HB ILE 99 218.025 -1.885 -3.039 777 HG12 ILE 99 HG12 ILE 99 220.350 -2.255 -3.882 778 HG13 ILE 99 HG11 ILE 99 219.199 -1.816 -5.140 779 HG21 ILE 99 HG21 ILE 99 216.998 0.215 -3.058 780 HG22 ILE 99 HG22 ILE 99 217.629 0.020 -4.693 781 HG23 ILE 99 HG23 ILE 99 218.484 1.037 -3.533 782 HD11 ILE 99 HD11 ILE 99 221.137 -0.596 -5.610 783 HD12 ILE 99 HD12 ILE 99 221.359 -0.135 -3.922 784 HD13 ILE 99 HD13 ILE 99 220.039 0.562 -4.860 785 H VAL 100 HN VAL 100 219.658 1.640 -1.098 786 HA VAL 100 HA VAL 100 217.031 1.744 0.162 787 HB VAL 100 HB VAL 100 217.858 2.627 2.254 788 HG11 VAL 100 HG11 VAL 100 217.987 -0.009 1.484 789 HG12 VAL 100 HG12 VAL 100 218.064 0.588 3.138 790 HG13 VAL 100 HG13 VAL 100 219.550 0.262 2.246 791 HG21 VAL 100 HG21 VAL 100 220.482 2.140 2.539 792 HG22 VAL 100 HG22 VAL 100 219.835 3.705 2.043 793 HG23 VAL 100 HG23 VAL 100 220.443 2.577 0.831 794 H LEU 101 HN LEU 101 216.066 3.683 -0.023 795 HA LEU 101 HA LEU 101 216.905 5.615 -1.752 796 HB2 LEU 101 HB2 LEU 101 215.237 6.134 0.693 797 HB3 LEU 101 HB1 LEU 101 215.298 7.124 -0.741 798 HG LEU 101 HG LEU 101 214.425 4.277 -0.900 799 HD11 LEU 101 HD11 LEU 101 213.129 5.807 0.802 800 HD12 LEU 101 HD12 LEU 101 212.265 4.735 -0.301 801 HD13 LEU 101 HD13 LEU 101 212.413 6.452 -0.675 802 HD21 LEU 101 HD21 LEU 101 214.609 4.945 -3.048 803 HD22 LEU 101 HD22 LEU 101 214.428 6.653 -2.644 804 HD23 LEU 101 HD23 LEU 101 213.007 5.611 -2.732 805 H ASP 102 HN ASP 102 217.636 7.692 -1.587 806 HA ASP 102 HA ASP 102 219.060 8.534 0.785 807 HB2 ASP 102 HB2 ASP 102 220.586 6.949 -0.269 808 HB3 ASP 102 HB1 ASP 102 220.446 7.810 -1.793 809 H ILE 103 HN ILE 103 220.185 10.658 0.360 810 HA ILE 103 HA ILE 103 218.427 12.333 -1.247 811 HB ILE 103 HB ILE 103 220.714 13.224 0.506 812 HG12 ILE 103 HG12 ILE 103 219.139 11.964 1.866 813 HG13 ILE 103 HG11 ILE 103 218.978 13.682 2.217 814 HG21 ILE 103 HG21 ILE 103 218.342 14.914 0.021 815 HG22 ILE 103 HG22 ILE 103 219.418 14.660 -1.353 816 HG23 ILE 103 HG23 ILE 103 220.046 15.353 0.142 817 HD11 ILE 103 HD11 ILE 103 217.053 11.801 1.074 818 HD12 ILE 103 HD12 ILE 103 217.122 13.369 0.269 819 HD13 ILE 103 HD13 ILE 103 216.792 13.279 1.999 820 H ILE 104 HN ILE 104 218.943 13.074 -3.226 821 HA ILE 104 HA ILE 104 221.363 12.294 -4.476 822 HB ILE 104 HB ILE 104 219.283 12.604 -5.730 823 HG12 ILE 104 HG12 ILE 104 220.833 14.649 -7.101 824 HG13 ILE 104 HG11 ILE 104 221.853 13.338 -6.514 825 HG21 ILE 104 HG21 ILE 104 218.818 14.795 -4.332 826 HG22 ILE 104 HG22 ILE 104 218.151 14.574 -5.950 827 HG23 ILE 104 HG23 ILE 104 219.596 15.558 -5.719 828 HD11 ILE 104 HD11 ILE 104 219.357 12.676 -7.989 829 HD12 ILE 104 HD12 ILE 104 220.876 11.787 -7.882 830 HD13 ILE 104 HD13 ILE 104 220.770 13.235 -8.883 831 H LYS 105 HN LYS 105 223.194 13.366 -4.913 832 HA LYS 105 HA LYS 105 224.843 14.925 -4.838 833 HB2 LYS 105 HB2 LYS 105 222.600 16.901 -4.402 834 HB3 LYS 105 HB1 LYS 105 224.255 17.301 -4.837 835 HG2 LYS 105 HG2 LYS 105 224.025 16.331 -6.982 836 HG3 LYS 105 HG1 LYS 105 222.492 15.572 -6.547 837 HD2 LYS 105 HD2 LYS 105 221.667 17.372 -7.663 838 HD3 LYS 105 HD1 LYS 105 221.840 18.115 -6.072 839 HE2 LYS 105 HE2 LYS 105 224.127 18.870 -6.788 840 HE3 LYS 105 HE1 LYS 105 223.724 18.318 -8.413 841 HZ1 LYS 105 HZ1 LYS 105 223.304 20.787 -7.623 842 HZ2 LYS 105 HZ2 LYS 105 221.836 20.122 -7.108 843 HZ3 LYS 105 HZ3 LYS 105 222.286 20.019 -8.736 844 H SER 106 HN SER 106 223.126 13.985 -2.244 845 HA SER 106 HA SER 106 223.213 14.326 0.023 846 HB2 SER 106 HB2 SER 106 225.232 13.041 -0.358 847 HB3 SER 106 HB1 SER 106 226.130 14.504 -0.762 848 HG SER 106 HG SER 106 226.563 14.582 1.286 849 H ASP 107 HN ASP 107 222.732 16.773 -1.459 850 HA ASP 107 HA ASP 107 224.222 18.789 0.045 851 HB2 ASP 107 HB2 ASP 107 223.084 20.407 -1.466 852 HB3 ASP 107 HB1 ASP 107 224.031 19.200 -2.331 853 H LYS 108 HN LYS 108 223.095 20.537 1.103 854 HA LYS 108 HA LYS 108 220.895 19.575 2.690 855 HB2 LYS 108 HB2 LYS 108 222.928 21.537 2.957 856 HB3 LYS 108 HB1 LYS 108 221.385 22.367 3.105 857 HG2 LYS 108 HG2 LYS 108 221.941 21.769 5.285 858 HG3 LYS 108 HG1 LYS 108 220.766 20.551 4.786 859 HD2 LYS 108 HD2 LYS 108 222.430 19.282 5.793 860 HD3 LYS 108 HD1 LYS 108 222.841 19.178 4.080 861 HE2 LYS 108 HE2 LYS 108 224.894 19.752 4.821 862 HE3 LYS 108 HE1 LYS 108 224.225 21.382 4.761 863 HZ1 LYS 108 HZ1 LYS 108 223.879 19.815 7.214 864 HZ2 LYS 108 HZ2 LYS 108 224.035 21.487 7.019 865 HZ3 LYS 108 HZ3 LYS 108 225.397 20.492 6.901 866 H GLU 109 HN GLU 109 221.185 21.290 -0.227 867 HA GLU 109 HA GLU 109 219.123 23.116 -0.210 868 HB2 GLU 109 HB2 GLU 109 220.412 21.452 -2.303 869 HB3 GLU 109 HB1 GLU 109 218.878 22.202 -2.719 870 HG2 GLU 109 HG2 GLU 109 219.724 24.354 -2.484 871 HG3 GLU 109 HG1 GLU 109 221.101 23.810 -1.527 872 H ALA 110 HN ALA 110 217.012 22.977 0.124 873 HA ALA 110 HA ALA 110 215.709 20.465 0.474 874 HB1 ALA 110 HB1 ALA 110 215.016 23.303 0.807 875 HB2 ALA 110 HB2 ALA 110 214.668 21.917 1.841 876 HB3 ALA 110 HB3 ALA 110 213.665 22.236 0.426 877 H GLY 111 HN GLY 111 213.700 19.838 -0.643 878 HA2 GLY 111 HA2 GLY 111 212.426 19.446 -2.518 879 HA3 GLY 111 HA1 GLY 111 213.097 20.910 -3.224 880 H ALA 112 HN ALA 112 215.403 18.655 -2.088 881 HA ALA 112 HA ALA 112 216.316 18.181 -4.777 882 HB1 ALA 112 HB1 ALA 112 217.955 16.657 -3.307 883 HB2 ALA 112 HB2 ALA 112 217.370 17.747 -2.050 884 HB3 ALA 112 HB3 ALA 112 218.162 18.400 -3.485 885 H HIS 113 HN HIS 113 216.146 16.368 -5.951 886 HA HIS 113 HA HIS 113 214.147 14.488 -5.384 887 HB2 HIS 113 HB2 HIS 113 216.161 14.901 -7.487 888 HB3 HIS 113 HB1 HIS 113 215.696 13.219 -7.252 889 HD1 HIS 113 HD1 HIS 113 214.602 16.329 -8.815 890 HD2 HIS 113 HD2 HIS 113 212.835 12.774 -7.586 891 HE1 HIS 113 HE1 HIS 113 212.371 16.252 -9.973 892 HE2 HIS 113 HE2 HIS 113 211.288 14.129 -9.155 893 H ILE 114 HN ILE 114 214.599 12.059 -5.449 894 HA ILE 114 HA ILE 114 216.982 11.311 -3.954 895 HB ILE 114 HB ILE 114 215.289 9.822 -2.580 896 HG12 ILE 114 HG12 ILE 114 213.676 12.240 -3.376 897 HG13 ILE 114 HG11 ILE 114 213.235 10.544 -3.544 898 HG21 ILE 114 HG21 ILE 114 216.768 12.178 -2.125 899 HG22 ILE 114 HG22 ILE 114 216.260 10.970 -0.946 900 HG23 ILE 114 HG23 ILE 114 215.232 12.362 -1.283 901 HD11 ILE 114 HD11 ILE 114 213.548 10.674 -0.886 902 HD12 ILE 114 HD12 ILE 114 212.020 10.990 -1.709 903 HD13 ILE 114 HD13 ILE 114 213.052 12.333 -1.218 904 H CYS 115 HN CYS 115 217.260 8.928 -3.831 905 HA CYS 115 HA CYS 115 215.712 7.305 -5.608 906 HB2 CYS 115 HB2 CYS 115 217.707 6.675 -6.990 907 HB3 CYS 115 HB1 CYS 115 217.125 8.313 -7.269 908 HG CYS 115 HG CYS 115 219.890 7.665 -6.561 909 H ALA 116 HN ALA 116 216.893 5.036 -5.742 910 HA ALA 116 HA ALA 116 217.696 4.431 -2.994 911 HB1 ALA 116 HB1 ALA 116 215.943 3.169 -4.679 912 HB2 ALA 116 HB2 ALA 116 216.663 2.463 -3.232 913 HB3 ALA 116 HB3 ALA 116 217.390 2.175 -4.813 914 H TRP 117 HN TRP 117 219.729 3.899 -2.499 915 HA TRP 117 HA TRP 117 221.514 3.093 -4.678 916 HB2 TRP 117 HB2 TRP 117 221.904 5.461 -4.373 917 HB3 TRP 117 HB1 TRP 117 222.151 5.233 -2.649 918 HD1 TRP 117 HD1 TRP 117 224.590 4.933 -1.907 919 HE1 TRP 117 HE1 TRP 117 226.821 4.444 -3.093 920 HE3 TRP 117 HE3 TRP 117 222.826 4.062 -6.626 921 HZ2 TRP 117 HZ2 TRP 117 227.715 3.778 -5.687 922 HZ3 TRP 117 HZ3 TRP 117 224.435 3.505 -8.402 923 HH2 TRP 117 HH2 TRP 117 226.829 3.367 -7.941 924 H LYS 118 HN LYS 118 223.532 2.192 -3.963 925 HA LYS 118 HA LYS 118 223.179 0.098 -2.133 926 HB2 LYS 118 HB2 LYS 118 224.937 0.514 -4.089 927 HB3 LYS 118 HB1 LYS 118 225.942 1.031 -2.742 928 HG2 LYS 118 HG2 LYS 118 226.408 -1.257 -3.135 929 HG3 LYS 118 HG1 LYS 118 225.460 -1.167 -1.649 930 HD2 LYS 118 HD2 LYS 118 224.433 -2.909 -2.768 931 HD3 LYS 118 HD1 LYS 118 223.432 -1.534 -3.239 932 HE2 LYS 118 HE2 LYS 118 223.832 -2.714 -5.231 933 HE3 LYS 118 HE1 LYS 118 224.933 -1.339 -5.281 934 HZ1 LYS 118 HZ1 LYS 118 226.710 -2.793 -4.504 935 HZ2 LYS 118 HZ2 LYS 118 226.048 -3.362 -5.953 936 HZ3 LYS 118 HZ3 LYS 118 225.649 -4.111 -4.490 937 H GLN 119 HN GLN 119 223.147 0.131 0.019 938 HA GLN 119 HA GLN 119 223.712 2.396 1.559 939 HB2 GLN 119 HB2 GLN 119 222.230 0.532 2.258 940 HB3 GLN 119 HB1 GLN 119 223.649 -0.483 2.476 941 HG2 GLN 119 HG2 GLN 119 224.355 0.674 4.344 942 HG3 GLN 119 HG1 GLN 119 223.440 2.120 3.920 943 HE21 GLN 119 HE21 GLN 119 222.687 -1.317 4.416 944 HE22 GLN 119 HE22 GLN 119 221.371 -1.046 5.502 945 H HIS 120 HN HIS 120 225.532 3.224 2.338 946 HA HIS 120 HA HIS 120 227.877 1.496 2.650 947 HB2 HIS 120 HB2 HIS 120 229.262 3.450 1.729 948 HB3 HIS 120 HB1 HIS 120 228.377 2.466 0.568 949 HD1 HIS 120 HD1 HIS 120 228.035 5.781 2.385 950 HD2 HIS 120 HD2 HIS 120 226.726 3.879 -1.069 951 HE1 HIS 120 HE1 HIS 120 226.790 7.535 1.082 952 HE2 HIS 120 HE2 HIS 120 226.075 6.382 -1.040 953 H GLY 121 HN GLY 121 225.795 3.249 4.262 954 HA2 GLY 121 HA2 GLY 121 225.917 4.088 6.413 955 HA3 GLY 121 HA1 GLY 121 227.660 3.886 6.356 956 H GLY 122 HN GLY 122 226.530 5.611 3.678 957 HA2 GLY 122 HA2 GLY 122 227.911 7.955 4.368 958 HA3 GLY 122 HA1 GLY 122 226.749 7.809 3.059 959 HA PRO 123 HA PRO 123 225.203 10.120 7.131 960 HB2 PRO 123 HB2 PRO 123 226.108 12.538 5.650 961 HB3 PRO 123 HB1 PRO 123 226.133 12.206 7.386 962 HG2 PRO 123 HG2 PRO 123 228.375 12.118 5.953 963 HG3 PRO 123 HG1 PRO 123 228.076 10.948 7.252 964 HD2 PRO 123 HD2 PRO 123 227.886 10.589 4.293 965 HD3 PRO 123 HD1 PRO 123 228.449 9.453 5.535 966 H ASN 124 HN ASN 124 225.163 10.713 3.674 967 HA ASN 124 HA ASN 124 222.679 12.129 3.662 968 HB2 ASN 124 HB2 ASN 124 222.790 11.847 1.212 969 HB3 ASN 124 HB1 ASN 124 224.300 12.464 1.876 970 HD21 ASN 124 HD21 ASN 124 224.012 11.204 -0.628 971 HD22 ASN 124 HD22 ASN 124 224.933 9.743 -0.598 972 H GLN 125 HN GLN 125 223.369 8.929 4.247 973 HA GLN 125 HA GLN 125 220.843 7.990 3.074 974 HB2 GLN 125 HB2 GLN 125 222.828 6.122 4.300 975 HB3 GLN 125 HB1 GLN 125 221.711 5.847 2.972 976 HG2 GLN 125 HG2 GLN 125 223.547 7.843 2.153 977 HG3 GLN 125 HG1 GLN 125 224.464 6.526 2.878 978 HE21 GLN 125 HE21 GLN 125 223.880 4.326 2.104 979 HE22 GLN 125 HE22 GLN 125 223.519 4.139 0.425 980 H LYS 126 HN LYS 126 221.464 9.485 5.721 981 HA LYS 126 HA LYS 126 220.263 7.537 7.565 982 HB2 LYS 126 HB2 LYS 126 221.445 10.189 8.354 983 HB3 LYS 126 HB1 LYS 126 221.158 8.780 9.364 984 HG2 LYS 126 HG2 LYS 126 223.079 8.621 7.082 985 HG3 LYS 126 HG1 LYS 126 223.565 9.359 8.609 986 HD2 LYS 126 HD2 LYS 126 222.224 6.703 8.687 987 HD3 LYS 126 HD1 LYS 126 223.903 6.777 8.150 988 HE2 LYS 126 HE2 LYS 126 224.674 7.275 10.209 989 HE3 LYS 126 HE1 LYS 126 223.299 8.313 10.583 990 HZ1 LYS 126 HZ1 LYS 126 222.914 5.402 10.453 991 HZ2 LYS 126 HZ2 LYS 126 222.065 6.556 11.351 992 HZ3 LYS 126 HZ3 LYS 126 223.616 6.082 11.834 993 H PHE 127 HN PHE 127 218.261 7.820 8.379 994 HA PHE 127 HA PHE 127 216.960 10.429 8.069 995 HB2 PHE 127 HB2 PHE 127 215.466 7.883 7.497 996 HB3 PHE 127 HB1 PHE 127 215.011 9.534 7.095 997 HD1 PHE 127 HD1 PHE 127 217.097 6.676 6.160 998 HD2 PHE 127 HD2 PHE 127 215.877 10.621 5.135 999 HE1 PHE 127 HE1 PHE 127 218.053 6.382 3.913 1000 HE2 PHE 127 HE2 PHE 127 216.830 10.334 2.885 1001 HZ PHE 127 HZ PHE 127 217.918 8.212 2.273 1002 H ILE 128 HN ILE 128 215.170 10.763 9.519 1003 HA ILE 128 HA ILE 128 215.299 9.007 11.878 1004 HB ILE 128 HB ILE 128 214.254 11.773 12.124 1005 HG12 ILE 128 HG12 ILE 128 217.212 11.133 12.050 1006 HG13 ILE 128 HG11 ILE 128 216.343 12.027 10.807 1007 HG21 ILE 128 HG21 ILE 128 214.566 9.796 13.887 1008 HG22 ILE 128 HG22 ILE 128 214.675 11.499 14.332 1009 HG23 ILE 128 HG23 ILE 128 216.145 10.566 14.047 1010 HD11 ILE 128 HD11 ILE 128 215.804 13.757 12.470 1011 HD12 ILE 128 HD12 ILE 128 217.539 13.547 12.239 1012 HD13 ILE 128 HD13 ILE 128 216.751 12.872 13.665 1013 H ILE 129 HN ILE 129 213.460 8.295 12.774 1014 HA ILE 129 HA ILE 129 210.970 8.866 11.318 1015 HB ILE 129 HB ILE 129 211.550 6.375 12.913 1016 HG12 ILE 129 HG12 ILE 129 213.164 6.409 11.130 1017 HG13 ILE 129 HG11 ILE 129 211.888 5.285 10.677 1018 HG21 ILE 129 HG21 ILE 129 209.552 5.586 12.205 1019 HG22 ILE 129 HG22 ILE 129 209.615 6.472 10.681 1020 HG23 ILE 129 HG23 ILE 129 209.178 7.309 12.171 1021 HD11 ILE 129 HD11 ILE 129 210.981 6.807 9.115 1022 HD12 ILE 129 HD12 ILE 129 212.725 6.797 8.858 1023 HD13 ILE 129 HD13 ILE 129 211.970 8.133 9.727 1024 H GLU 130 HN GLU 130 209.136 9.384 12.419 1025 HA GLU 130 HA GLU 130 209.190 9.335 15.348 1026 HB2 GLU 130 HB2 GLU 130 209.865 11.615 14.391 1027 HB3 GLU 130 HB1 GLU 130 208.199 11.750 13.844 1028 HG2 GLU 130 HG2 GLU 130 208.457 11.012 16.656 1029 HG3 GLU 130 HG1 GLU 130 209.153 12.583 16.259 1030 H SER 131 HN SER 131 207.658 7.745 15.485 1031 HA SER 131 HA SER 131 205.419 7.358 13.935 1032 HB2 SER 131 HB2 SER 131 206.097 6.682 16.768 1033 HB3 SER 131 HB1 SER 131 204.449 6.408 16.202 1034 HG SER 131 HG SER 131 206.712 5.458 14.796 1035 H GLU 132 HN GLU 132 203.890 8.768 13.428 1036 HA GLU 132 HA GLU 132 203.208 10.990 15.092 1037 HB2 GLU 132 HB2 GLU 132 202.981 10.447 12.414 1038 HB3 GLU 132 HB1 GLU 132 201.315 10.301 12.954 1039 HG2 GLU 132 HG2 GLU 132 203.108 12.689 13.323 1040 HG3 GLU 132 HG1 GLU 132 201.768 12.545 12.185 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 193.043 -1.716 9.726 2 H2 MET 1 HT2 MET 1 194.288 -2.633 8.980 3 H3 MET 1 HT3 MET 1 192.664 -3.187 8.933 4 HA MET 1 HA MET 1 192.983 -2.330 6.867 5 HB2 MET 1 HB2 MET 1 191.830 -0.166 8.638 6 HB3 MET 1 HB1 MET 1 191.645 -0.224 6.890 7 HG2 MET 1 HG2 MET 1 190.157 -1.945 6.961 8 HG3 MET 1 HG1 MET 1 190.815 -2.601 8.458 9 HE1 MET 1 HE1 MET 1 187.888 0.759 7.781 10 HE2 MET 1 HE2 MET 1 189.370 0.421 6.887 11 HE3 MET 1 HE3 MET 1 189.423 1.427 8.335 12 H LYS 2 HN LYS 2 193.682 0.530 8.872 13 HA LYS 2 HA LYS 2 195.983 1.082 7.115 14 HB2 LYS 2 HB2 LYS 2 193.879 2.840 8.270 15 HB3 LYS 2 HB1 LYS 2 195.501 3.504 8.126 16 HG2 LYS 2 HG2 LYS 2 195.468 3.456 5.833 17 HG3 LYS 2 HG1 LYS 2 194.275 2.158 5.770 18 HD2 LYS 2 HD2 LYS 2 192.916 4.192 7.034 19 HD3 LYS 2 HD1 LYS 2 193.897 5.049 5.843 20 HE2 LYS 2 HE2 LYS 2 192.179 4.575 4.466 21 HE3 LYS 2 HE1 LYS 2 192.975 3.007 4.338 22 HZ1 LYS 2 HZ1 LYS 2 191.510 2.498 6.425 23 HZ2 LYS 2 HZ2 LYS 2 190.862 2.376 4.867 24 HZ3 LYS 2 HZ3 LYS 2 190.548 3.746 5.807 25 HA PRO 3 HA PRO 3 198.070 0.349 11.079 26 HB2 PRO 3 HB2 PRO 3 200.584 0.309 10.025 27 HB3 PRO 3 HB1 PRO 3 199.502 -1.088 10.015 28 HG2 PRO 3 HG2 PRO 3 200.083 0.875 7.834 29 HG3 PRO 3 HG1 PRO 3 199.916 -0.888 7.739 30 HD2 PRO 3 HD2 PRO 3 197.930 0.789 7.010 31 HD3 PRO 3 HD1 PRO 3 197.610 -0.797 7.742 32 H LYS 4 HN LYS 4 199.610 1.542 12.345 33 HA LYS 4 HA LYS 4 199.260 4.252 12.429 34 HB2 LYS 4 HB2 LYS 4 201.522 2.535 13.422 35 HB3 LYS 4 HB1 LYS 4 201.485 4.268 13.717 36 HG2 LYS 4 HG2 LYS 4 199.009 3.574 14.543 37 HG3 LYS 4 HG1 LYS 4 199.910 2.107 14.930 38 HD2 LYS 4 HD2 LYS 4 201.089 3.112 16.571 39 HD3 LYS 4 HD1 LYS 4 201.232 4.628 15.679 40 HE2 LYS 4 HE2 LYS 4 198.546 4.501 16.259 41 HE3 LYS 4 HE1 LYS 4 199.294 3.816 17.702 42 HZ1 LYS 4 HZ1 LYS 4 198.940 6.348 17.550 43 HZ2 LYS 4 HZ2 LYS 4 200.314 6.333 16.564 44 HZ3 LYS 4 HZ3 LYS 4 200.410 5.766 18.154 45 H PHE 5 HN PHE 5 200.524 6.066 11.903 46 HA PHE 5 HA PHE 5 202.191 5.695 9.510 47 HB2 PHE 5 HB2 PHE 5 201.732 8.346 9.500 48 HB3 PHE 5 HB1 PHE 5 200.647 7.186 8.746 49 HD1 PHE 5 HD2 PHE 5 198.647 6.379 10.078 50 HD2 PHE 5 HD1 PHE 5 200.994 9.739 11.219 51 HE1 PHE 5 HE2 PHE 5 196.806 7.174 11.500 52 HE2 PHE 5 HE1 PHE 5 199.158 10.541 12.646 53 HZ PHE 5 HZ PHE 5 197.059 9.259 12.788 54 H PHE 6 HN PHE 6 203.824 7.699 9.301 55 HA PHE 6 HA PHE 6 204.924 8.490 11.870 56 HB2 PHE 6 HB2 PHE 6 207.133 7.336 10.424 57 HB3 PHE 6 HB1 PHE 6 206.627 7.071 12.081 58 HD1 PHE 6 HD1 PHE 6 204.927 5.280 12.555 59 HD2 PHE 6 HD2 PHE 6 206.785 5.744 8.756 60 HE1 PHE 6 HE1 PHE 6 204.295 2.977 11.968 61 HE2 PHE 6 HE2 PHE 6 206.154 3.444 8.159 62 HZ PHE 6 HZ PHE 6 204.907 2.055 9.768 63 H TYR 7 HN TYR 7 207.081 9.648 11.535 64 HA TYR 7 HA TYR 7 206.857 11.259 9.092 65 HB2 TYR 7 HB2 TYR 7 206.959 12.026 11.839 66 HB3 TYR 7 HB1 TYR 7 208.429 12.600 11.061 67 HD1 TYR 7 HD2 TYR 7 208.179 14.003 8.939 68 HD2 TYR 7 HD1 TYR 7 204.938 13.177 11.568 69 HE1 TYR 7 HE2 TYR 7 206.943 15.912 8.006 70 HE2 TYR 7 HE1 TYR 7 203.693 15.084 10.641 71 HH TYR 7 HH TYR 7 204.684 16.719 7.797 72 H ILE 8 HN ILE 8 208.488 11.113 7.693 73 HA ILE 8 HA ILE 8 210.998 9.911 8.633 74 HB ILE 8 HB ILE 8 210.957 10.094 5.783 75 HG12 ILE 8 HG12 ILE 8 208.479 10.176 6.022 76 HG13 ILE 8 HG11 ILE 8 209.039 8.714 5.219 77 HG21 ILE 8 HG21 ILE 8 211.431 7.788 5.895 78 HG22 ILE 8 HG22 ILE 8 210.621 7.618 7.453 79 HG23 ILE 8 HG23 ILE 8 212.148 8.495 7.344 80 HD11 ILE 8 HD11 ILE 8 208.240 7.383 6.825 81 HD12 ILE 8 HD12 ILE 8 207.245 8.778 7.241 82 HD13 ILE 8 HD13 ILE 8 208.742 8.469 8.120 83 H LYS 9 HN LYS 9 212.459 11.380 9.138 84 HA LYS 9 HA LYS 9 212.601 13.866 7.602 85 HB2 LYS 9 HB2 LYS 9 212.379 14.150 9.984 86 HB3 LYS 9 HB1 LYS 9 213.734 13.073 10.281 87 HG2 LYS 9 HG2 LYS 9 215.025 14.867 10.357 88 HG3 LYS 9 HG1 LYS 9 214.768 15.043 8.621 89 HD2 LYS 9 HD2 LYS 9 213.437 16.817 8.886 90 HD3 LYS 9 HD1 LYS 9 212.571 16.078 10.233 91 HE2 LYS 9 HE2 LYS 9 215.311 17.317 10.449 92 HE3 LYS 9 HE1 LYS 9 213.811 18.161 10.829 93 HZ1 LYS 9 HZ1 LYS 9 215.183 16.936 12.673 94 HZ2 LYS 9 HZ2 LYS 9 214.320 15.587 12.130 95 HZ3 LYS 9 HZ3 LYS 9 213.491 16.942 12.710 96 H SER 10 HN SER 10 214.288 14.361 6.327 97 HA SER 10 HA SER 10 216.287 12.383 5.780 98 HB2 SER 10 HB2 SER 10 217.221 14.402 4.370 99 HB3 SER 10 HB1 SER 10 215.745 13.583 3.861 100 HG SER 10 HG SER 10 215.718 15.864 5.534 101 H GLU 11 HN GLU 11 217.822 12.058 7.250 102 HA GLU 11 HA GLU 11 218.684 13.928 9.151 103 HB2 GLU 11 HB2 GLU 11 218.906 11.542 9.535 104 HB3 GLU 11 HB1 GLU 11 220.016 11.399 8.180 105 HG2 GLU 11 HG2 GLU 11 221.766 12.009 9.407 106 HG3 GLU 11 HG1 GLU 11 220.892 13.352 10.143 107 H LEU 12 HN LEU 12 219.378 13.779 5.874 108 HA LEU 12 HA LEU 12 222.072 14.809 6.084 109 HB2 LEU 12 HB2 LEU 12 221.304 13.349 4.204 110 HB3 LEU 12 HB1 LEU 12 220.286 14.667 3.655 111 HG LEU 12 HG LEU 12 222.365 16.061 3.411 112 HD11 LEU 12 HD11 LEU 12 224.431 15.273 3.828 113 HD12 LEU 12 HD12 LEU 12 224.031 13.637 3.306 114 HD13 LEU 12 HD13 LEU 12 223.574 14.185 4.919 115 HD21 LEU 12 HD21 LEU 12 222.028 13.542 1.797 116 HD22 LEU 12 HD22 LEU 12 223.124 14.848 1.345 117 HD23 LEU 12 HD23 LEU 12 221.389 15.148 1.448 118 H ASN 13 HN ASN 13 219.082 16.096 4.591 119 HA ASN 13 HA ASN 13 220.089 18.793 4.763 120 HB2 ASN 13 HB2 ASN 13 217.333 17.929 3.900 121 HB3 ASN 13 HB1 ASN 13 218.188 19.400 3.468 122 HD21 ASN 13 HD21 ASN 13 217.985 15.956 2.976 123 HD22 ASN 13 HD22 ASN 13 218.866 15.920 1.490 124 H GLY 14 HN GLY 14 218.417 16.782 6.891 125 HA2 GLY 14 HA2 GLY 14 217.459 17.264 8.937 126 HA3 GLY 14 HA1 GLY 14 217.843 18.959 8.662 127 H LYS 15 HN LYS 15 216.218 17.746 6.016 128 HA LYS 15 HA LYS 15 213.748 19.067 6.806 129 HB2 LYS 15 HB2 LYS 15 214.441 17.922 4.103 130 HB3 LYS 15 HB1 LYS 15 213.255 19.155 4.478 131 HG2 LYS 15 HG2 LYS 15 216.243 19.439 4.604 132 HG3 LYS 15 HG1 LYS 15 215.155 20.169 3.423 133 HD2 LYS 15 HD2 LYS 15 214.372 20.804 6.139 134 HD3 LYS 15 HD1 LYS 15 216.033 21.299 5.807 135 HE2 LYS 15 HE2 LYS 15 214.168 21.934 3.651 136 HE3 LYS 15 HE1 LYS 15 213.777 22.728 5.176 137 HZ1 LYS 15 HZ1 LYS 15 216.255 23.339 5.188 138 HZ2 LYS 15 HZ2 LYS 15 215.222 24.197 4.161 139 HZ3 LYS 15 HZ3 LYS 15 216.213 22.978 3.536 140 H VAL 16 HN VAL 16 211.848 17.807 5.333 141 HA VAL 16 HA VAL 16 211.913 15.026 6.301 142 HB VAL 16 HB VAL 16 209.384 15.257 6.446 143 HG11 VAL 16 HG11 VAL 16 211.438 16.203 8.281 144 HG12 VAL 16 HG12 VAL 16 210.054 15.151 8.574 145 HG13 VAL 16 HG13 VAL 16 209.851 16.903 8.599 146 HG21 VAL 16 HG21 VAL 16 210.071 18.194 6.411 147 HG22 VAL 16 HG22 VAL 16 208.487 17.500 6.758 148 HG23 VAL 16 HG23 VAL 16 209.193 17.327 5.151 149 H LEU 17 HN LEU 17 211.183 13.454 4.929 150 HA LEU 17 HA LEU 17 211.166 14.066 2.145 151 HB2 LEU 17 HB2 LEU 17 210.156 11.490 3.326 152 HB3 LEU 17 HB1 LEU 17 210.932 11.747 1.775 153 HG LEU 17 HG LEU 17 212.259 11.837 4.484 154 HD11 LEU 17 HD11 LEU 17 212.618 9.953 2.158 155 HD12 LEU 17 HD12 LEU 17 211.733 9.591 3.640 156 HD13 LEU 17 HD13 LEU 17 213.470 9.892 3.702 157 HD21 LEU 17 HD21 LEU 17 214.299 11.882 2.754 158 HD22 LEU 17 HD22 LEU 17 213.583 13.344 3.433 159 HD23 LEU 17 HD23 LEU 17 213.115 12.798 1.823 160 H ASP 18 HN ASP 18 209.468 14.430 0.784 161 HA ASP 18 HA ASP 18 206.756 13.873 1.714 162 HB2 ASP 18 HB2 ASP 18 207.427 16.234 2.351 163 HB3 ASP 18 HB1 ASP 18 207.533 16.583 0.628 164 H ILE 19 HN ILE 19 205.236 13.644 0.066 165 HA ILE 19 HA ILE 19 206.389 13.100 -2.552 166 HB ILE 19 HB ILE 19 203.542 12.654 -1.654 167 HG12 ILE 19 HG12 ILE 19 205.928 10.792 -1.571 168 HG13 ILE 19 HG11 ILE 19 205.040 11.419 -0.187 169 HG21 ILE 19 HG21 ILE 19 204.240 12.717 -4.145 170 HG22 ILE 19 HG22 ILE 19 203.247 11.379 -3.568 171 HG23 ILE 19 HG23 ILE 19 204.980 11.152 -3.806 172 HD11 ILE 19 HD11 ILE 19 204.638 8.997 -1.334 173 HD12 ILE 19 HD12 ILE 19 203.391 9.967 -2.118 174 HD13 ILE 19 HD13 ILE 19 203.449 9.860 -0.359 175 H GLU 20 HN GLU 20 206.046 14.291 -4.339 176 HA GLU 20 HA GLU 20 205.458 16.923 -4.346 177 HB2 GLU 20 HB2 GLU 20 205.042 14.867 -6.500 178 HB3 GLU 20 HB1 GLU 20 204.746 16.577 -6.789 179 HG2 GLU 20 HG2 GLU 20 207.271 16.424 -5.585 180 HG3 GLU 20 HG1 GLU 20 207.219 15.131 -6.782 181 H GLY 21 HN GLY 21 203.759 17.772 -3.293 182 HA2 GLY 21 HA2 GLY 21 201.578 18.188 -2.666 183 HA3 GLY 21 HA1 GLY 21 201.325 18.181 -4.403 184 H GLN 22 HN GLN 22 202.258 15.328 -2.582 185 HA GLN 22 HA GLN 22 201.213 13.354 -2.185 186 HB2 GLN 22 HB2 GLN 22 198.699 15.031 -2.296 187 HB3 GLN 22 HB1 GLN 22 198.809 13.394 -1.664 188 HG2 GLN 22 HG2 GLN 22 199.292 14.215 0.325 189 HG3 GLN 22 HG1 GLN 22 200.772 14.909 -0.336 190 HE21 GLN 22 HE21 GLN 22 198.626 15.785 1.658 191 HE22 GLN 22 HE22 GLN 22 198.260 17.402 1.173 192 H ASN 23 HN ASN 23 198.689 14.835 -4.207 193 HA ASN 23 HA ASN 23 197.800 14.245 -6.211 194 HB2 ASN 23 HB2 ASN 23 200.360 12.768 -6.805 195 HB3 ASN 23 HB1 ASN 23 199.238 13.498 -7.948 196 HD21 ASN 23 HD21 ASN 23 198.986 15.907 -6.197 197 HD22 ASN 23 HD22 ASN 23 200.430 16.809 -6.480 198 HA PRO 24 HA PRO 24 196.362 10.219 -4.641 199 HB2 PRO 24 HB2 PRO 24 194.050 10.910 -6.348 200 HB3 PRO 24 HB1 PRO 24 194.095 10.469 -4.639 201 HG2 PRO 24 HG2 PRO 24 193.612 12.984 -5.409 202 HG3 PRO 24 HG1 PRO 24 194.565 12.628 -3.956 203 HD2 PRO 24 HD2 PRO 24 195.497 13.458 -6.679 204 HD3 PRO 24 HD1 PRO 24 196.081 13.973 -5.082 205 H ALA 25 HN ALA 25 197.041 11.347 -7.798 206 HA ALA 25 HA ALA 25 196.410 8.781 -9.036 207 HB1 ALA 25 HB1 ALA 25 197.246 11.442 -10.157 208 HB2 ALA 25 HB2 ALA 25 195.709 10.602 -10.361 209 HB3 ALA 25 HB3 ALA 25 197.164 9.979 -11.139 210 HA PRO 26 HA PRO 26 200.547 7.246 -8.785 211 HB2 PRO 26 HB2 PRO 26 200.179 6.034 -11.443 212 HB3 PRO 26 HB1 PRO 26 200.434 5.255 -9.881 213 HG2 PRO 26 HG2 PRO 26 198.061 5.167 -11.132 214 HG3 PRO 26 HG1 PRO 26 198.185 5.248 -9.366 215 HD2 PRO 26 HD2 PRO 26 197.559 7.424 -11.323 216 HD3 PRO 26 HD1 PRO 26 196.836 7.092 -9.735 217 H GLY 27 HN GLY 27 202.604 7.782 -9.445 218 HA2 GLY 27 HA2 GLY 27 204.096 8.354 -11.300 219 HA3 GLY 27 HA1 GLY 27 202.809 9.368 -11.929 220 H SER 28 HN SER 28 202.817 9.772 -8.623 221 HA SER 28 HA SER 28 203.908 12.395 -8.854 222 HB2 SER 28 HB2 SER 28 202.053 11.872 -7.315 223 HB3 SER 28 HB1 SER 28 203.132 10.846 -6.371 224 HG SER 28 HG SER 28 202.755 13.203 -5.765 225 H LYS 29 HN LYS 29 205.822 13.199 -8.178 226 HA LYS 29 HA LYS 29 207.945 11.273 -7.672 227 HB2 LYS 29 HB2 LYS 29 207.763 13.963 -8.806 228 HB3 LYS 29 HB1 LYS 29 209.120 13.775 -7.703 229 HG2 LYS 29 HG2 LYS 29 210.033 13.213 -9.747 230 HG3 LYS 29 HG1 LYS 29 209.630 11.639 -9.056 231 HD2 LYS 29 HD2 LYS 29 207.724 11.412 -10.423 232 HD3 LYS 29 HD1 LYS 29 207.746 13.119 -10.872 233 HE2 LYS 29 HE2 LYS 29 209.959 11.209 -11.585 234 HE3 LYS 29 HE1 LYS 29 208.563 11.487 -12.626 235 HZ1 LYS 29 HZ1 LYS 29 210.812 12.889 -12.784 236 HZ2 LYS 29 HZ2 LYS 29 209.952 13.865 -11.703 237 HZ3 LYS 29 HZ3 LYS 29 209.302 13.511 -13.224 238 H ILE 30 HN ILE 30 209.536 11.663 -5.972 239 HA ILE 30 HA ILE 30 208.296 12.946 -3.618 240 HB ILE 30 HB ILE 30 209.543 11.336 -2.221 241 HG12 ILE 30 HG12 ILE 30 210.179 9.993 -4.860 242 HG13 ILE 30 HG11 ILE 30 211.345 10.850 -3.857 243 HG21 ILE 30 HG21 ILE 30 208.015 9.619 -4.089 244 HG22 ILE 30 HG22 ILE 30 207.176 11.014 -3.411 245 HG23 ILE 30 HG23 ILE 30 207.874 9.799 -2.340 246 HD11 ILE 30 HD11 ILE 30 211.758 8.949 -2.812 247 HD12 ILE 30 HD12 ILE 30 210.468 8.139 -3.700 248 HD13 ILE 30 HD13 ILE 30 210.110 8.970 -2.186 249 H ILE 31 HN ILE 31 209.560 14.172 -2.231 250 HA ILE 31 HA ILE 31 212.394 14.503 -2.701 251 HB ILE 31 HB ILE 31 212.433 16.765 -3.301 252 HG12 ILE 31 HG12 ILE 31 210.511 17.402 -1.767 253 HG13 ILE 31 HG11 ILE 31 210.599 18.273 -3.291 254 HG21 ILE 31 HG21 ILE 31 211.933 15.265 -5.162 255 HG22 ILE 31 HG22 ILE 31 211.235 16.865 -5.413 256 HG23 ILE 31 HG23 ILE 31 210.207 15.524 -4.908 257 HD11 ILE 31 HD11 ILE 31 208.542 17.667 -3.787 258 HD12 ILE 31 HD12 ILE 31 208.426 16.874 -2.216 259 HD13 ILE 31 HD13 ILE 31 208.968 15.963 -3.626 260 H THR 32 HN THR 32 213.141 16.473 -1.234 261 HA THR 32 HA THR 32 211.872 15.973 1.372 262 HB THR 32 HB THR 32 213.897 16.375 2.410 263 HG1 THR 32 HG1 THR 32 214.767 17.783 0.106 264 HG21 THR 32 HG21 THR 32 214.286 14.402 1.147 265 HG22 THR 32 HG22 THR 32 215.747 15.388 1.069 266 HG23 THR 32 HG23 THR 32 214.644 15.333 -0.307 267 H TRP 33 HN TRP 33 211.353 17.700 2.788 268 HA TRP 33 HA TRP 33 211.577 20.422 1.839 269 HB2 TRP 33 HB2 TRP 33 209.496 19.341 0.760 270 HB3 TRP 33 HB1 TRP 33 208.797 19.399 2.376 271 HD1 TRP 33 HD1 TRP 33 207.153 21.357 2.414 272 HE1 TRP 33 HE1 TRP 33 207.192 23.815 1.650 273 HE3 TRP 33 HE3 TRP 33 211.732 21.430 0.138 274 HZ2 TRP 33 HZ2 TRP 33 208.932 25.552 0.269 275 HZ3 TRP 33 HZ3 TRP 33 212.509 23.530 -0.880 276 HH2 TRP 33 HH2 TRP 33 211.136 25.548 -0.817 277 H ASP 34 HN ASP 34 210.425 21.947 3.433 278 HA ASP 34 HA ASP 34 211.383 21.334 6.046 279 HB2 ASP 34 HB2 ASP 34 209.548 23.609 5.283 280 HB3 ASP 34 HB1 ASP 34 210.648 23.532 6.656 281 H GLN 35 HN GLN 35 210.325 20.638 7.823 282 HA GLN 35 HA GLN 35 207.920 19.237 7.588 283 HB2 GLN 35 HB2 GLN 35 209.835 19.209 9.416 284 HB3 GLN 35 HB1 GLN 35 208.747 20.313 10.247 285 HG2 GLN 35 HG2 GLN 35 206.959 18.629 10.087 286 HG3 GLN 35 HG1 GLN 35 208.102 17.520 9.331 287 HE21 GLN 35 HE21 GLN 35 209.733 16.601 10.569 288 HE22 GLN 35 HE22 GLN 35 209.700 16.615 12.296 289 H LYS 36 HN LYS 36 205.842 19.803 7.709 290 HA LYS 36 HA LYS 36 205.219 22.571 8.499 291 HB2 LYS 36 HB2 LYS 36 204.354 20.892 6.261 292 HB3 LYS 36 HB1 LYS 36 203.020 21.671 7.101 293 HG2 LYS 36 HG2 LYS 36 203.456 23.342 5.666 294 HG3 LYS 36 HG1 LYS 36 204.689 23.761 6.857 295 HD2 LYS 36 HD2 LYS 36 205.666 23.778 4.648 296 HD3 LYS 36 HD1 LYS 36 206.330 22.430 5.573 297 HE2 LYS 36 HE2 LYS 36 205.782 21.132 3.848 298 HE3 LYS 36 HE1 LYS 36 204.102 21.352 4.335 299 HZ1 LYS 36 HZ1 LYS 36 205.610 22.745 2.219 300 HZ2 LYS 36 HZ2 LYS 36 204.244 23.465 2.909 301 HZ3 LYS 36 HZ3 LYS 36 204.107 21.974 2.123 302 H LYS 37 HN LYS 37 202.749 22.709 9.107 303 HA LYS 37 HA LYS 37 202.115 20.496 10.941 304 HB2 LYS 37 HB2 LYS 37 201.710 23.428 11.550 305 HB3 LYS 37 HB1 LYS 37 201.396 22.075 12.628 306 HG2 LYS 37 HG2 LYS 37 203.598 21.772 13.122 307 HG3 LYS 37 HG1 LYS 37 204.147 22.387 11.561 308 HD2 LYS 37 HD2 LYS 37 203.498 24.667 12.280 309 HD3 LYS 37 HD1 LYS 37 203.071 24.015 13.864 310 HE2 LYS 37 HE2 LYS 37 205.197 24.654 14.332 311 HE3 LYS 37 HE1 LYS 37 205.548 23.052 13.685 312 HZ1 LYS 37 HZ1 LYS 37 206.089 24.005 11.578 313 HZ2 LYS 37 HZ2 LYS 37 206.966 24.833 12.764 314 HZ3 LYS 37 HZ3 LYS 37 205.596 25.545 12.075 315 H GLY 38 HN GLY 38 199.848 20.288 11.486 316 HA2 GLY 38 HA2 GLY 38 197.554 21.001 11.120 317 HA3 GLY 38 HA1 GLY 38 198.050 21.586 9.539 318 HA PRO 39 HA PRO 39 196.274 17.360 8.944 319 HB2 PRO 39 HB2 PRO 39 194.373 17.965 7.174 320 HB3 PRO 39 HB1 PRO 39 194.139 18.234 8.906 321 HG2 PRO 39 HG2 PRO 39 194.869 20.190 6.767 322 HG3 PRO 39 HG1 PRO 39 193.723 20.372 8.107 323 HD2 PRO 39 HD2 PRO 39 196.292 21.354 8.125 324 HD3 PRO 39 HD1 PRO 39 195.365 20.958 9.585 325 H THR 40 HN THR 40 198.213 19.378 7.260 326 HA THR 40 HA THR 40 198.115 17.796 4.787 327 HB THR 40 HB THR 40 199.342 19.598 3.728 328 HG1 THR 40 HG1 THR 40 200.652 20.368 5.302 329 HG21 THR 40 HG21 THR 40 197.806 21.497 4.010 330 HG22 THR 40 HG22 THR 40 197.073 20.671 5.384 331 HG23 THR 40 HG23 THR 40 196.968 19.964 3.772 332 H ALA 41 HN ALA 41 199.462 17.262 7.525 333 HA ALA 41 HA ALA 41 202.266 17.154 6.821 334 HB1 ALA 41 HB1 ALA 41 202.340 15.876 9.075 335 HB2 ALA 41 HB2 ALA 41 200.678 16.441 9.253 336 HB3 ALA 41 HB3 ALA 41 201.991 17.605 9.074 337 H VAL 42 HN VAL 42 199.520 15.122 6.546 338 HA VAL 42 HA VAL 42 200.503 12.540 6.733 339 HB VAL 42 HB VAL 42 198.484 13.719 4.812 340 HG11 VAL 42 HG11 VAL 42 199.660 11.118 4.744 341 HG12 VAL 42 HG12 VAL 42 198.407 11.799 3.709 342 HG13 VAL 42 HG13 VAL 42 197.964 10.977 5.205 343 HG21 VAL 42 HG21 VAL 42 197.376 13.906 6.756 344 HG22 VAL 42 HG22 VAL 42 198.418 12.747 7.582 345 HG23 VAL 42 HG23 VAL 42 197.103 12.175 6.555 346 H ASN 43 HN ASN 43 200.986 14.925 4.205 347 HA ASN 43 HA ASN 43 201.964 13.183 2.230 348 HB2 ASN 43 HB2 ASN 43 203.034 15.298 1.300 349 HB3 ASN 43 HB1 ASN 43 201.287 15.336 1.518 350 HD21 ASN 43 HD21 ASN 43 201.410 17.617 1.540 351 HD22 ASN 43 HD22 ASN 43 201.922 18.464 2.956 352 H GLN 44 HN GLN 44 203.337 14.052 5.175 353 HA GLN 44 HA GLN 44 206.019 13.316 4.212 354 HB2 GLN 44 HB2 GLN 44 205.106 15.230 6.335 355 HB3 GLN 44 HB1 GLN 44 206.679 14.465 6.461 356 HG2 GLN 44 HG2 GLN 44 207.576 15.818 4.947 357 HG3 GLN 44 HG1 GLN 44 206.233 15.585 3.830 358 HE21 GLN 44 HE21 GLN 44 207.396 18.011 3.968 359 HE22 GLN 44 HE22 GLN 44 206.348 19.145 4.743 360 H LEU 45 HN LEU 45 203.444 12.003 5.473 361 HA LEU 45 HA LEU 45 204.906 10.426 7.464 362 HB2 LEU 45 HB2 LEU 45 202.014 11.157 7.325 363 HB3 LEU 45 HB1 LEU 45 202.607 9.921 8.360 364 HG LEU 45 HG LEU 45 204.198 12.194 8.860 365 HD11 LEU 45 HD11 LEU 45 202.889 13.975 8.758 366 HD12 LEU 45 HD12 LEU 45 201.599 13.149 9.632 367 HD13 LEU 45 HD13 LEU 45 201.718 12.994 7.884 368 HD21 LEU 45 HD21 LEU 45 203.228 10.199 10.290 369 HD22 LEU 45 HD22 LEU 45 201.982 11.388 10.668 370 HD23 LEU 45 HD23 LEU 45 203.672 11.736 11.033 371 H TRP 46 HN TRP 46 204.831 8.252 7.393 372 HA TRP 46 HA TRP 46 203.245 7.004 5.270 373 HB2 TRP 46 HB2 TRP 46 206.170 6.568 5.856 374 HB3 TRP 46 HB1 TRP 46 205.208 5.567 4.779 375 HD1 TRP 46 HD1 TRP 46 205.877 9.396 5.080 376 HE1 TRP 46 HE1 TRP 46 206.274 10.305 2.702 377 HE3 TRP 46 HE3 TRP 46 205.285 5.058 2.436 378 HZ2 TRP 46 HZ2 TRP 46 206.321 9.315 0.057 379 HZ3 TRP 46 HZ3 TRP 46 205.514 5.125 -0.010 380 HH2 TRP 46 HH2 TRP 46 206.023 7.211 -1.176 381 H TYR 47 HN TYR 47 203.287 4.568 5.513 382 HA TYR 47 HA TYR 47 203.584 3.723 8.279 383 HB2 TYR 47 HB2 TYR 47 201.346 2.656 8.280 384 HB3 TYR 47 HB1 TYR 47 201.280 4.410 8.206 385 HD1 TYR 47 HD2 TYR 47 200.987 1.347 6.127 386 HD2 TYR 47 HD1 TYR 47 200.099 5.490 6.506 387 HE1 TYR 47 HE2 TYR 47 199.492 1.199 4.180 388 HE2 TYR 47 HE1 TYR 47 198.596 5.353 4.564 389 HH TYR 47 HH TYR 47 197.566 2.402 3.243 390 H THR 48 HN THR 48 203.358 1.286 8.470 391 HA THR 48 HA THR 48 204.488 0.058 6.047 392 HB THR 48 HB THR 48 205.149 -1.711 7.947 393 HG1 THR 48 HG1 THR 48 204.452 -0.789 9.750 394 HG21 THR 48 HG21 THR 48 206.734 -0.531 6.475 395 HG22 THR 48 HG22 THR 48 207.315 -0.699 8.132 396 HG23 THR 48 HG23 THR 48 206.681 0.849 7.572 397 H ASP 49 HN ASP 49 203.596 -1.718 5.153 398 HA ASP 49 HA ASP 49 200.936 -2.413 5.982 399 HB2 ASP 49 HB2 ASP 49 202.735 -3.281 3.738 400 HB3 ASP 49 HB1 ASP 49 201.234 -4.142 4.063 401 H GLN 50 HN GLN 50 200.324 -4.815 6.017 402 HA GLN 50 HA GLN 50 201.517 -6.007 8.265 403 HB2 GLN 50 HB2 GLN 50 199.361 -6.646 6.393 404 HB3 GLN 50 HB1 GLN 50 200.179 -8.071 7.016 405 HG2 GLN 50 HG2 GLN 50 199.776 -7.275 9.306 406 HG3 GLN 50 HG1 GLN 50 198.901 -5.892 8.651 407 HE21 GLN 50 HE21 GLN 50 198.159 -8.298 10.341 408 HE22 GLN 50 HE22 GLN 50 196.751 -8.933 9.568 409 H GLN 51 HN GLN 51 202.303 -6.168 4.912 410 HA GLN 51 HA GLN 51 203.972 -8.541 5.309 411 HB2 GLN 51 HB2 GLN 51 202.483 -8.444 3.326 412 HB3 GLN 51 HB1 GLN 51 203.364 -7.030 2.762 413 HG2 GLN 51 HG2 GLN 51 204.040 -9.119 1.646 414 HG3 GLN 51 HG1 GLN 51 205.366 -8.313 2.483 415 HE21 GLN 51 HE21 GLN 51 206.022 -9.164 4.544 416 HE22 GLN 51 HE22 GLN 51 205.812 -10.844 4.888 417 H GLY 52 HN GLY 52 204.264 -5.277 5.673 418 HA2 GLY 52 HA2 GLY 52 206.337 -4.311 6.343 419 HA3 GLY 52 HA1 GLY 52 207.169 -5.441 5.286 420 H VAL 53 HN VAL 53 204.533 -4.249 3.621 421 HA VAL 53 HA VAL 53 206.241 -2.539 2.030 422 HB VAL 53 HB VAL 53 203.313 -3.149 1.613 423 HG11 VAL 53 HG11 VAL 53 204.968 -1.323 0.364 424 HG12 VAL 53 HG12 VAL 53 203.448 -1.958 -0.264 425 HG13 VAL 53 HG13 VAL 53 204.974 -2.710 -0.726 426 HG21 VAL 53 HG21 VAL 53 203.898 -4.999 0.272 427 HG22 VAL 53 HG22 VAL 53 204.831 -5.179 1.758 428 HG23 VAL 53 HG23 VAL 53 205.609 -4.575 0.295 429 H ILE 54 HN ILE 54 206.458 -0.459 2.499 430 HA ILE 54 HA ILE 54 204.629 0.873 4.246 431 HB ILE 54 HB ILE 54 206.098 2.921 3.575 432 HG12 ILE 54 HG12 ILE 54 208.282 1.004 3.104 433 HG13 ILE 54 HG11 ILE 54 207.144 1.170 1.770 434 HG21 ILE 54 HG21 ILE 54 206.031 1.491 5.715 435 HG22 ILE 54 HG22 ILE 54 207.430 2.524 5.419 436 HG23 ILE 54 HG23 ILE 54 207.530 0.792 5.101 437 HD11 ILE 54 HD11 ILE 54 208.506 3.501 3.084 438 HD12 ILE 54 HD12 ILE 54 207.581 3.492 1.582 439 HD13 ILE 54 HD13 ILE 54 209.136 2.665 1.665 440 H ARG 55 HN ARG 55 203.382 2.646 3.839 441 HA ARG 55 HA ARG 55 203.022 3.620 1.139 442 HB2 ARG 55 HB2 ARG 55 200.529 2.711 2.525 443 HB3 ARG 55 HB1 ARG 55 200.803 3.005 0.819 444 HG2 ARG 55 HG2 ARG 55 202.114 0.720 2.247 445 HG3 ARG 55 HG1 ARG 55 200.488 0.596 1.577 446 HD2 ARG 55 HD2 ARG 55 202.651 1.655 -0.166 447 HD3 ARG 55 HD1 ARG 55 202.626 -0.076 0.171 448 HE ARG 55 HE ARG 55 200.838 1.376 -1.522 449 HH11 ARG 55 HH11 ARG 55 201.115 -1.418 0.549 450 HH12 ARG 55 HH12 ARG 55 199.854 -2.293 -0.253 451 HH21 ARG 55 HH21 ARG 55 199.180 0.227 -2.579 452 HH22 ARG 55 HH22 ARG 55 198.756 -1.360 -2.030 453 H SER 56 HN SER 56 202.487 5.742 1.167 454 HA SER 56 HA SER 56 202.693 7.210 3.516 455 HB2 SER 56 HB2 SER 56 201.246 8.885 1.866 456 HB3 SER 56 HB1 SER 56 203.000 8.716 1.874 457 HG SER 56 HG SER 56 201.290 7.087 0.309 458 H LYS 57 HN LYS 57 201.329 8.283 4.822 459 HA LYS 57 HA LYS 57 199.031 6.968 5.642 460 HB2 LYS 57 HB2 LYS 57 200.536 8.640 6.888 461 HB3 LYS 57 HB1 LYS 57 199.503 9.876 6.187 462 HG2 LYS 57 HG2 LYS 57 197.619 8.294 7.164 463 HG3 LYS 57 HG1 LYS 57 198.924 7.883 8.275 464 HD2 LYS 57 HD2 LYS 57 198.962 9.961 9.217 465 HD3 LYS 57 HD1 LYS 57 198.461 10.760 7.727 466 HE2 LYS 57 HE2 LYS 57 196.695 9.152 9.570 467 HE3 LYS 57 HE1 LYS 57 196.719 10.909 9.423 468 HZ1 LYS 57 HZ1 LYS 57 195.053 10.518 7.988 469 HZ2 LYS 57 HZ2 LYS 57 195.520 8.922 7.684 470 HZ3 LYS 57 HZ3 LYS 57 196.300 10.196 6.891 471 H LEU 58 HN LEU 58 199.434 9.275 3.118 472 HA LEU 58 HA LEU 58 196.903 10.455 3.070 473 HB2 LEU 58 HB2 LEU 58 197.550 11.396 1.117 474 HB3 LEU 58 HB1 LEU 58 199.119 10.835 1.654 475 HG LEU 58 HG LEU 58 197.360 9.318 -0.275 476 HD11 LEU 58 HD11 LEU 58 199.326 11.489 -0.678 477 HD12 LEU 58 HD12 LEU 58 197.910 11.045 -1.630 478 HD13 LEU 58 HD13 LEU 58 199.403 10.119 -1.786 479 HD21 LEU 58 HD21 LEU 58 198.893 7.695 -0.248 480 HD22 LEU 58 HD22 LEU 58 199.468 8.427 1.249 481 HD23 LEU 58 HD23 LEU 58 200.233 8.841 -0.285 482 H ASN 59 HN ASN 59 198.001 7.339 1.921 483 HA ASN 59 HA ASN 59 195.526 6.113 1.981 484 HB2 ASN 59 HB2 ASN 59 195.645 7.840 -0.217 485 HB3 ASN 59 HB1 ASN 59 195.930 6.239 -0.893 486 HD21 ASN 59 HD21 ASN 59 194.226 5.038 -1.332 487 HD22 ASN 59 HD22 ASN 59 192.624 5.298 -0.740 488 H ASP 60 HN ASP 60 195.622 4.237 0.016 489 HA ASP 60 HA ASP 60 197.955 2.720 0.789 490 HB2 ASP 60 HB2 ASP 60 195.592 2.034 -0.971 491 HB3 ASP 60 HB1 ASP 60 196.878 0.904 -0.558 492 H PHE 61 HN PHE 61 199.590 3.999 -0.241 493 HA PHE 61 HA PHE 61 199.968 3.242 -3.030 494 HB2 PHE 61 HB2 PHE 61 199.498 5.983 -2.075 495 HB3 PHE 61 HB1 PHE 61 200.924 5.807 -3.094 496 HD1 PHE 61 HD1 PHE 61 197.321 4.866 -2.993 497 HD2 PHE 61 HD2 PHE 61 200.684 5.914 -5.380 498 HE1 PHE 61 HE1 PHE 61 195.890 4.882 -4.993 499 HE2 PHE 61 HE2 PHE 61 199.258 5.935 -7.385 500 HZ PHE 61 HZ PHE 61 196.858 5.419 -7.193 501 H ALA 62 HN ALA 62 201.936 2.461 -3.315 502 HA ALA 62 HA ALA 62 204.008 3.104 -1.326 503 HB1 ALA 62 HB1 ALA 62 203.160 0.645 -2.592 504 HB2 ALA 62 HB2 ALA 62 204.176 0.890 -1.171 505 HB3 ALA 62 HB3 ALA 62 204.893 0.913 -2.782 506 H ILE 63 HN ILE 63 206.172 3.428 -2.014 507 HA ILE 63 HA ILE 63 206.379 4.921 -4.468 508 HB ILE 63 HB ILE 63 208.866 4.216 -3.026 509 HG12 ILE 63 HG12 ILE 63 207.911 6.395 -1.569 510 HG13 ILE 63 HG11 ILE 63 206.558 5.270 -1.609 511 HG21 ILE 63 HG21 ILE 63 207.696 6.761 -4.132 512 HG22 ILE 63 HG22 ILE 63 208.953 5.758 -4.853 513 HG23 ILE 63 HG23 ILE 63 209.277 6.641 -3.362 514 HD11 ILE 63 HD11 ILE 63 207.682 3.669 -0.417 515 HD12 ILE 63 HD12 ILE 63 208.349 5.145 0.283 516 HD13 ILE 63 HD13 ILE 63 209.267 4.249 -0.928 517 H ASP 64 HN ASP 64 207.816 4.478 -6.194 518 HA ASP 64 HA ASP 64 208.772 1.714 -6.342 519 HB2 ASP 64 HB2 ASP 64 207.877 1.366 -8.494 520 HB3 ASP 64 HB1 ASP 64 206.575 2.093 -7.558 521 H ALA 65 HN ALA 65 210.695 1.394 -7.285 522 HA ALA 65 HA ALA 65 212.141 3.814 -8.149 523 HB1 ALA 65 HB1 ALA 65 212.974 1.339 -6.761 524 HB2 ALA 65 HB2 ALA 65 213.479 3.009 -6.510 525 HB3 ALA 65 HB3 ALA 65 214.136 2.082 -7.859 526 H SER 66 HN SER 66 210.411 2.700 -10.007 527 HA SER 66 HA SER 66 211.786 0.915 -11.768 528 HB2 SER 66 HB2 SER 66 209.180 2.260 -11.683 529 HB3 SER 66 HB1 SER 66 209.837 2.096 -13.312 530 HG SER 66 HG SER 66 209.726 -0.065 -11.488 531 H HIS 67 HN HIS 67 211.143 4.396 -11.757 532 HA HIS 67 HA HIS 67 212.829 4.762 -14.106 533 HB2 HIS 67 HB2 HIS 67 211.126 6.692 -12.524 534 HB3 HIS 67 HB1 HIS 67 212.075 7.131 -13.934 535 HD1 HIS 67 HD1 HIS 67 209.647 4.259 -13.329 536 HD2 HIS 67 HD2 HIS 67 210.334 7.382 -15.982 537 HE1 HIS 67 HE1 HIS 67 207.880 4.035 -15.104 538 HE2 HIS 67 HE2 HIS 67 208.279 5.970 -16.667 539 H GLU 68 HN GLU 68 214.330 6.703 -14.019 540 HA GLU 68 HA GLU 68 216.434 6.260 -12.323 541 HB2 GLU 68 HB2 GLU 68 216.891 8.834 -12.795 542 HB3 GLU 68 HB1 GLU 68 217.072 7.616 -14.049 543 HG2 GLU 68 HG2 GLU 68 215.178 8.276 -15.160 544 HG3 GLU 68 HG1 GLU 68 214.439 8.963 -13.716 545 H GLN 69 HN GLN 69 213.807 8.599 -11.887 546 HA GLN 69 HA GLN 69 214.751 9.154 -9.180 547 HB2 GLN 69 HB2 GLN 69 212.441 10.511 -10.543 548 HB3 GLN 69 HB1 GLN 69 213.460 11.112 -9.250 549 HG2 GLN 69 HG2 GLN 69 214.804 10.537 -11.811 550 HG3 GLN 69 HG1 GLN 69 213.688 11.901 -11.789 551 HE21 GLN 69 HE21 GLN 69 216.348 10.505 -9.907 552 HE22 GLN 69 HE22 GLN 69 217.070 12.015 -9.483 553 H ILE 70 HN ILE 70 213.481 8.728 -7.376 554 HA ILE 70 HA ILE 70 211.602 6.600 -7.676 555 HB ILE 70 HB ILE 70 211.851 8.078 -5.089 556 HG12 ILE 70 HG12 ILE 70 214.149 7.897 -5.926 557 HG13 ILE 70 HG11 ILE 70 213.889 6.815 -4.566 558 HG21 ILE 70 HG21 ILE 70 212.093 5.176 -5.151 559 HG22 ILE 70 HG22 ILE 70 210.602 5.760 -5.887 560 HG23 ILE 70 HG23 ILE 70 210.996 6.200 -4.226 561 HD11 ILE 70 HD11 ILE 70 214.937 6.175 -7.061 562 HD12 ILE 70 HD12 ILE 70 213.315 5.482 -7.045 563 HD13 ILE 70 HD13 ILE 70 214.467 5.059 -5.778 564 H GLU 71 HN GLU 71 209.468 6.561 -7.468 565 HA GLU 71 HA GLU 71 207.999 9.043 -6.949 566 HB2 GLU 71 HB2 GLU 71 206.511 8.559 -8.915 567 HB3 GLU 71 HB1 GLU 71 208.142 9.067 -9.331 568 HG2 GLU 71 HG2 GLU 71 208.358 6.331 -9.225 569 HG3 GLU 71 HG1 GLU 71 206.752 6.580 -9.907 570 H THR 72 HN THR 72 205.587 8.587 -6.829 571 HA THR 72 HA THR 72 205.216 6.066 -5.371 572 HB THR 72 HB THR 72 203.276 7.228 -4.312 573 HG1 THR 72 HG1 THR 72 203.123 9.464 -4.607 574 HG21 THR 72 HG21 THR 72 204.789 7.591 -2.733 575 HG22 THR 72 HG22 THR 72 205.012 9.192 -3.438 576 HG23 THR 72 HG23 THR 72 206.065 7.863 -3.918 577 H GLN 73 HN GLN 73 203.619 4.656 -5.873 578 HA GLN 73 HA GLN 73 201.438 5.288 -7.593 579 HB2 GLN 73 HB2 GLN 73 202.665 3.155 -9.022 580 HB3 GLN 73 HB1 GLN 73 202.248 4.754 -9.607 581 HG2 GLN 73 HG2 GLN 73 204.455 5.561 -8.803 582 HG3 GLN 73 HG1 GLN 73 204.860 3.897 -8.387 583 HE21 GLN 73 HE21 GLN 73 205.217 2.407 -10.037 584 HE22 GLN 73 HE22 GLN 73 205.506 2.894 -11.668 585 HA PRO 74 HA PRO 74 199.432 1.752 -5.883 586 HB2 PRO 74 HB2 PRO 74 199.436 0.424 -8.557 587 HB3 PRO 74 HB1 PRO 74 198.097 0.686 -7.433 588 HG2 PRO 74 HG2 PRO 74 198.354 2.193 -9.613 589 HG3 PRO 74 HG1 PRO 74 197.814 2.895 -8.076 590 HD2 PRO 74 HD2 PRO 74 200.458 3.108 -9.433 591 HD3 PRO 74 HD1 PRO 74 199.605 4.292 -8.424 592 H PHE 75 HN PHE 75 200.056 -0.108 -4.867 593 HA PHE 75 HA PHE 75 202.650 -0.941 -4.792 594 HB2 PHE 75 HB2 PHE 75 201.099 -1.559 -3.068 595 HB3 PHE 75 HB1 PHE 75 200.131 -2.497 -4.199 596 HD1 PHE 75 HD1 PHE 75 200.867 -4.682 -4.951 597 HD2 PHE 75 HD2 PHE 75 203.160 -2.424 -2.168 598 HE1 PHE 75 HE1 PHE 75 202.161 -6.698 -4.387 599 HE2 PHE 75 HE2 PHE 75 204.457 -4.434 -1.599 600 HZ PHE 75 HZ PHE 75 203.959 -6.576 -2.709 601 H ASP 76 HN ASP 76 200.046 -2.678 -6.537 602 HA ASP 76 HA ASP 76 200.114 -4.103 -8.313 603 HB2 ASP 76 HB2 ASP 76 201.171 -2.220 -9.471 604 HB3 ASP 76 HB1 ASP 76 202.747 -2.718 -8.868 605 HA PRO 77 HA PRO 77 202.411 -7.383 -6.282 606 HB2 PRO 77 HB2 PRO 77 201.278 -9.449 -7.625 607 HB3 PRO 77 HB1 PRO 77 200.469 -8.598 -6.304 608 HG2 PRO 77 HG2 PRO 77 200.141 -8.254 -9.260 609 HG3 PRO 77 HG1 PRO 77 198.897 -8.322 -7.997 610 HD2 PRO 77 HD2 PRO 77 199.751 -5.990 -9.067 611 HD3 PRO 77 HD1 PRO 77 199.230 -6.125 -7.375 612 H ASN 78 HN ASN 78 202.225 -6.938 -9.773 613 HA ASN 78 HA ASN 78 204.417 -8.780 -10.230 614 HB2 ASN 78 HB2 ASN 78 202.514 -7.262 -11.939 615 HB3 ASN 78 HB1 ASN 78 204.069 -7.697 -12.642 616 HD21 ASN 78 HD21 ASN 78 204.683 -9.987 -12.498 617 HD22 ASN 78 HD22 ASN 78 203.440 -11.179 -12.638 618 H ASN 79 HN ASN 79 204.330 -5.701 -9.102 619 HA ASN 79 HA ASN 79 206.707 -4.863 -10.612 620 HB2 ASN 79 HB2 ASN 79 204.527 -3.401 -9.228 621 HB3 ASN 79 HB1 ASN 79 206.127 -2.668 -9.199 622 HD21 ASN 79 HD21 ASN 79 204.274 -4.481 -11.624 623 HD22 ASN 79 HD22 ASN 79 204.437 -3.302 -12.876 624 HA PRO 80 HA PRO 80 208.757 -6.046 -6.742 625 HB2 PRO 80 HB2 PRO 80 211.214 -6.124 -8.263 626 HB3 PRO 80 HB1 PRO 80 210.315 -7.466 -7.553 627 HG2 PRO 80 HG2 PRO 80 210.559 -7.047 -10.247 628 HG3 PRO 80 HG1 PRO 80 209.208 -7.916 -9.499 629 HD2 PRO 80 HD2 PRO 80 209.339 -5.090 -10.477 630 HD3 PRO 80 HD1 PRO 80 208.018 -6.272 -10.607 631 H LYS 81 HN LYS 81 208.509 -3.204 -8.056 632 HA LYS 81 HA LYS 81 210.824 -2.052 -6.663 633 HB2 LYS 81 HB2 LYS 81 209.452 -1.293 -9.216 634 HB3 LYS 81 HB1 LYS 81 210.278 -0.070 -8.275 635 HG2 LYS 81 HG2 LYS 81 211.482 -2.543 -9.484 636 HG3 LYS 81 HG1 LYS 81 211.760 -0.870 -9.971 637 HD2 LYS 81 HD2 LYS 81 212.593 -0.528 -7.562 638 HD3 LYS 81 HD1 LYS 81 212.680 -2.289 -7.493 639 HE2 LYS 81 HE2 LYS 81 214.540 -2.345 -8.730 640 HE3 LYS 81 HE1 LYS 81 213.889 -1.204 -9.906 641 HZ1 LYS 81 HZ1 LYS 81 214.898 0.522 -8.914 642 HZ2 LYS 81 HZ2 LYS 81 215.922 -0.659 -8.269 643 HZ3 LYS 81 HZ3 LYS 81 214.636 -0.063 -7.348 644 H ARG 82 HN ARG 82 207.413 -2.234 -6.923 645 HA ARG 82 HA ARG 82 206.911 0.260 -5.527 646 HB2 ARG 82 HB2 ARG 82 205.175 -1.857 -6.741 647 HB3 ARG 82 HB1 ARG 82 204.495 -0.615 -5.698 648 HG2 ARG 82 HG2 ARG 82 204.859 1.055 -7.218 649 HG3 ARG 82 HG1 ARG 82 206.219 0.218 -7.970 650 HD2 ARG 82 HD2 ARG 82 204.885 -1.042 -9.313 651 HD3 ARG 82 HD1 ARG 82 203.542 -1.033 -8.175 652 HE ARG 82 HE ARG 82 203.771 1.555 -9.060 653 HH11 ARG 82 HH11 ARG 82 203.219 -1.562 -10.527 654 HH12 ARG 82 HH12 ARG 82 202.299 -0.920 -11.845 655 HH21 ARG 82 HH21 ARG 82 202.560 2.403 -10.800 656 HH22 ARG 82 HH22 ARG 82 201.924 1.329 -12.000 657 H ALA 83 HN ALA 83 208.296 -2.094 -4.239 658 HA ALA 83 HA ALA 83 206.543 -2.232 -1.876 659 HB1 ALA 83 HB1 ALA 83 208.153 -4.591 -2.015 660 HB2 ALA 83 HB2 ALA 83 207.234 -4.416 -3.510 661 HB3 ALA 83 HB3 ALA 83 206.398 -4.444 -1.959 662 H TRP 84 HN TRP 84 207.631 -0.808 -0.613 663 HA TRP 84 HA TRP 84 210.514 -1.272 -0.257 664 HB2 TRP 84 HB2 TRP 84 208.860 1.207 0.231 665 HB3 TRP 84 HB1 TRP 84 210.584 1.063 0.576 666 HD1 TRP 84 HD1 TRP 84 208.213 0.749 -2.481 667 HE1 TRP 84 HE1 TRP 84 209.509 1.515 -4.567 668 HE3 TRP 84 HE3 TRP 84 212.751 1.627 -0.323 669 HZ2 TRP 84 HZ2 TRP 84 212.107 2.397 -5.201 670 HZ3 TRP 84 HZ3 TRP 84 214.588 2.432 -1.734 671 HH2 TRP 84 HH2 TRP 84 214.274 2.808 -4.127 672 H ILE 85 HN ILE 85 211.372 -1.687 1.659 673 HA ILE 85 HA ILE 85 209.535 -1.897 3.962 674 HB ILE 85 HB ILE 85 210.966 -3.667 4.849 675 HG12 ILE 85 HG12 ILE 85 212.593 -4.631 2.965 676 HG13 ILE 85 HG11 ILE 85 212.643 -2.935 2.497 677 HG21 ILE 85 HG21 ILE 85 209.617 -3.891 2.238 678 HG22 ILE 85 HG22 ILE 85 209.329 -4.758 3.747 679 HG23 ILE 85 HG23 ILE 85 210.658 -5.241 2.693 680 HD11 ILE 85 HD11 ILE 85 214.433 -3.789 4.093 681 HD12 ILE 85 HD12 ILE 85 213.162 -3.797 5.316 682 HD13 ILE 85 HD13 ILE 85 213.609 -2.289 4.517 683 H VAL 86 HN VAL 86 210.431 -1.396 6.078 684 HA VAL 86 HA VAL 86 212.526 0.643 5.876 685 HB VAL 86 HB VAL 86 210.753 0.170 8.262 686 HG11 VAL 86 HG11 VAL 86 211.331 2.408 8.866 687 HG12 VAL 86 HG12 VAL 86 212.139 2.674 7.321 688 HG13 VAL 86 HG13 VAL 86 212.824 1.547 8.491 689 HG21 VAL 86 HG21 VAL 86 209.050 0.682 6.861 690 HG22 VAL 86 HG22 VAL 86 210.111 1.438 5.673 691 HG23 VAL 86 HG23 VAL 86 209.631 2.327 7.118 692 H SER 87 HN SER 87 214.468 0.315 6.698 693 HA SER 87 HA SER 87 214.840 -1.906 8.598 694 HB2 SER 87 HB2 SER 87 215.812 -2.258 6.280 695 HB3 SER 87 HB1 SER 87 216.917 -0.929 6.630 696 HG SER 87 HG SER 87 218.065 -2.566 7.364 697 H GLY 88 HN GLY 88 214.770 -0.697 10.470 698 HA2 GLY 88 HA2 GLY 88 215.711 0.533 12.170 699 HA3 GLY 88 HA1 GLY 88 217.158 0.677 11.186 700 H ASN 89 HN ASN 89 217.553 2.520 10.098 701 HA ASN 89 HA ASN 89 215.528 4.650 10.303 702 HB2 ASN 89 HB2 ASN 89 217.336 6.234 10.630 703 HB3 ASN 89 HB1 ASN 89 217.478 4.948 11.822 704 HD21 ASN 89 HD21 ASN 89 218.641 5.878 8.595 705 HD22 ASN 89 HD22 ASN 89 220.220 5.208 8.784 706 H THR 90 HN THR 90 216.007 2.766 8.081 707 HA THR 90 HA THR 90 216.413 4.773 6.015 708 HB THR 90 HB THR 90 217.824 2.794 4.890 709 HG1 THR 90 HG1 THR 90 217.649 1.611 6.933 710 HG21 THR 90 HG21 THR 90 218.681 5.023 5.023 711 HG22 THR 90 HG22 THR 90 219.894 3.905 5.646 712 HG23 THR 90 HG23 THR 90 218.924 4.867 6.762 713 H ILE 91 HN ILE 91 215.494 4.327 4.058 714 HA ILE 91 HA ILE 91 213.464 2.213 4.066 715 HB ILE 91 HB ILE 91 213.825 4.320 1.934 716 HG12 ILE 91 HG12 ILE 91 213.658 5.527 4.029 717 HG13 ILE 91 HG11 ILE 91 212.126 5.659 3.171 718 HG21 ILE 91 HG21 ILE 91 211.734 2.356 2.696 719 HG22 ILE 91 HG22 ILE 91 212.277 2.873 1.101 720 HG23 ILE 91 HG23 ILE 91 211.206 3.908 2.045 721 HD11 ILE 91 HD11 ILE 91 212.743 3.876 5.512 722 HD12 ILE 91 HD12 ILE 91 211.233 3.844 4.601 723 HD13 ILE 91 HD13 ILE 91 211.694 5.294 5.493 724 H ALA 92 HN ALA 92 213.887 0.336 3.084 725 HA ALA 92 HA ALA 92 215.878 0.348 0.907 726 HB1 ALA 92 HB1 ALA 92 216.848 -1.607 1.684 727 HB2 ALA 92 HB2 ALA 92 215.432 -2.053 2.637 728 HB3 ALA 92 HB3 ALA 92 216.479 -0.741 3.176 729 H GLN 93 HN GLN 93 215.541 -0.883 -0.878 730 HA GLN 93 HA GLN 93 212.883 -1.433 -1.652 731 HB2 GLN 93 HB2 GLN 93 215.053 -0.875 -3.015 732 HB3 GLN 93 HB1 GLN 93 215.251 -2.619 -3.043 733 HG2 GLN 93 HG2 GLN 93 213.961 -2.645 -4.833 734 HG3 GLN 93 HG1 GLN 93 212.612 -2.222 -3.779 735 HE21 GLN 93 HE21 GLN 93 215.370 -0.206 -4.657 736 HE22 GLN 93 HE22 GLN 93 214.454 1.005 -5.478 737 H LEU 94 HN LEU 94 211.844 -3.370 -2.058 738 HA LEU 94 HA LEU 94 212.251 -5.450 -0.235 739 HB2 LEU 94 HB2 LEU 94 210.451 -6.582 -1.281 740 HB3 LEU 94 HB1 LEU 94 210.085 -4.875 -1.336 741 HG LEU 94 HG LEU 94 211.181 -6.428 -3.683 742 HD11 LEU 94 HD11 LEU 94 208.542 -5.677 -4.185 743 HD12 LEU 94 HD12 LEU 94 208.537 -6.400 -2.577 744 HD13 LEU 94 HD13 LEU 94 209.173 -7.305 -3.949 745 HD21 LEU 94 HD21 LEU 94 211.569 -4.339 -4.427 746 HD22 LEU 94 HD22 LEU 94 210.535 -3.609 -3.209 747 HD23 LEU 94 HD23 LEU 94 209.826 -4.279 -4.670 748 H SER 95 HN SER 95 212.761 -5.541 -3.781 749 HA SER 95 HA SER 95 214.038 -8.080 -3.670 750 HB2 SER 95 HB2 SER 95 213.434 -6.076 -5.783 751 HB3 SER 95 HB1 SER 95 214.707 -7.251 -6.116 752 HG SER 95 HG SER 95 212.121 -7.963 -5.201 753 H ASP 96 HN ASP 96 215.191 -5.088 -2.789 754 HA ASP 96 HA ASP 96 217.939 -6.031 -3.103 755 HB2 ASP 96 HB2 ASP 96 216.924 -3.304 -3.913 756 HB3 ASP 96 HB1 ASP 96 218.630 -3.674 -3.677 757 H ARG 97 HN ARG 97 217.907 -6.523 -0.884 758 HA ARG 97 HA ARG 97 217.193 -4.642 1.113 759 HB2 ARG 97 HB2 ARG 97 218.739 -7.219 1.104 760 HB3 ARG 97 HB1 ARG 97 218.663 -6.230 2.554 761 HG2 ARG 97 HG2 ARG 97 216.340 -7.458 1.087 762 HG3 ARG 97 HG1 ARG 97 216.981 -7.942 2.658 763 HD2 ARG 97 HD2 ARG 97 216.450 -5.593 3.443 764 HD3 ARG 97 HD1 ARG 97 215.552 -5.394 1.939 765 HE ARG 97 HE ARG 97 213.887 -6.720 2.789 766 HH11 ARG 97 HH11 ARG 97 216.728 -7.036 4.791 767 HH12 ARG 97 HH12 ARG 97 215.910 -7.931 6.027 768 HH21 ARG 97 HH21 ARG 97 212.810 -7.897 4.414 769 HH22 ARG 97 HH22 ARG 97 213.686 -8.421 5.812 770 H ASP 98 HN ASP 98 219.900 -4.991 -0.918 771 HA ASP 98 HA ASP 98 221.674 -3.480 0.846 772 HB2 ASP 98 HB2 ASP 98 222.041 -5.014 -1.702 773 HB3 ASP 98 HB1 ASP 98 223.217 -3.778 -1.263 774 H ILE 99 HN ILE 99 219.180 -2.598 -0.823 775 HA ILE 99 HA ILE 99 220.425 -0.164 -1.909 776 HB ILE 99 HB ILE 99 218.192 -1.834 -3.040 777 HG12 ILE 99 HG12 ILE 99 220.587 -2.140 -3.760 778 HG13 ILE 99 HG11 ILE 99 219.466 -1.754 -5.062 779 HG21 ILE 99 HG21 ILE 99 217.223 0.341 -2.967 780 HG22 ILE 99 HG22 ILE 99 217.749 0.049 -4.625 781 HG23 ILE 99 HG23 ILE 99 218.707 1.084 -3.566 782 HD11 ILE 99 HD11 ILE 99 221.845 -0.544 -4.684 783 HD12 ILE 99 HD12 ILE 99 220.774 0.561 -3.823 784 HD13 ILE 99 HD13 ILE 99 220.479 0.191 -5.522 785 H VAL 100 HN VAL 100 219.640 1.696 -1.079 786 HA VAL 100 HA VAL 100 216.995 1.729 0.141 787 HB VAL 100 HB VAL 100 217.789 2.732 2.219 788 HG11 VAL 100 HG11 VAL 100 217.820 0.711 3.142 789 HG12 VAL 100 HG12 VAL 100 219.394 0.349 2.436 790 HG13 VAL 100 HG13 VAL 100 217.926 0.042 1.518 791 HG21 VAL 100 HG21 VAL 100 220.379 2.191 2.593 792 HG22 VAL 100 HG22 VAL 100 219.804 3.739 1.972 793 HG23 VAL 100 HG23 VAL 100 220.403 2.510 0.858 794 H LEU 101 HN LEU 101 215.986 3.654 -0.021 795 HA LEU 101 HA LEU 101 216.760 5.581 -1.786 796 HB2 LEU 101 HB2 LEU 101 215.132 6.120 0.684 797 HB3 LEU 101 HB1 LEU 101 215.137 7.068 -0.779 798 HG LEU 101 HG LEU 101 214.347 4.202 -0.890 799 HD11 LEU 101 HD11 LEU 101 213.086 5.810 0.868 800 HD12 LEU 101 HD12 LEU 101 212.295 4.504 -0.014 801 HD13 LEU 101 HD13 LEU 101 212.176 6.162 -0.601 802 HD21 LEU 101 HD21 LEU 101 214.610 5.184 -3.012 803 HD22 LEU 101 HD22 LEU 101 213.794 6.665 -2.511 804 HD23 LEU 101 HD23 LEU 101 212.873 5.174 -2.708 805 H ASP 102 HN ASP 102 217.456 7.679 -1.648 806 HA ASP 102 HA ASP 102 218.883 8.599 0.684 807 HB2 ASP 102 HB2 ASP 102 220.414 6.970 -0.303 808 HB3 ASP 102 HB1 ASP 102 220.289 7.779 -1.857 809 H ILE 103 HN ILE 103 220.031 10.702 0.152 810 HA ILE 103 HA ILE 103 218.263 12.319 -1.501 811 HB ILE 103 HB ILE 103 220.611 13.223 0.174 812 HG12 ILE 103 HG12 ILE 103 218.442 14.019 1.570 813 HG13 ILE 103 HG11 ILE 103 217.812 12.532 0.870 814 HG21 ILE 103 HG21 ILE 103 220.077 15.350 -0.336 815 HG22 ILE 103 HG22 ILE 103 218.345 15.021 -0.362 816 HG23 ILE 103 HG23 ILE 103 219.340 14.615 -1.760 817 HD11 ILE 103 HD11 ILE 103 220.477 12.317 2.081 818 HD12 ILE 103 HD12 ILE 103 219.090 11.232 2.173 819 HD13 ILE 103 HD13 ILE 103 219.156 12.667 3.196 820 H ILE 104 HN ILE 104 218.720 12.716 -3.595 821 HA ILE 104 HA ILE 104 221.198 11.942 -4.743 822 HB ILE 104 HB ILE 104 219.044 13.667 -5.970 823 HG12 ILE 104 HG12 ILE 104 219.365 10.664 -6.134 824 HG13 ILE 104 HG11 ILE 104 218.224 11.476 -5.067 825 HG21 ILE 104 HG21 ILE 104 220.564 11.848 -7.678 826 HG22 ILE 104 HG22 ILE 104 221.546 13.109 -6.934 827 HG23 ILE 104 HG23 ILE 104 220.147 13.545 -7.914 828 HD11 ILE 104 HD11 ILE 104 216.901 10.936 -6.859 829 HD12 ILE 104 HD12 ILE 104 218.188 11.214 -8.032 830 HD13 ILE 104 HD13 ILE 104 217.384 12.583 -7.264 831 H LYS 105 HN LYS 105 222.937 13.104 -5.345 832 HA LYS 105 HA LYS 105 224.425 14.810 -5.516 833 HB2 LYS 105 HB2 LYS 105 222.013 16.625 -5.378 834 HB3 LYS 105 HB1 LYS 105 223.621 17.068 -5.934 835 HG2 LYS 105 HG2 LYS 105 222.537 14.783 -7.363 836 HG3 LYS 105 HG1 LYS 105 221.529 16.224 -7.506 837 HD2 LYS 105 HD2 LYS 105 222.963 16.593 -9.244 838 HD3 LYS 105 HD1 LYS 105 223.871 17.375 -7.948 839 HE2 LYS 105 HE2 LYS 105 225.448 16.044 -9.053 840 HE3 LYS 105 HE1 LYS 105 225.011 15.117 -7.618 841 HZ1 LYS 105 HZ1 LYS 105 224.802 13.493 -9.154 842 HZ2 LYS 105 HZ2 LYS 105 224.472 14.558 -10.426 843 HZ3 LYS 105 HZ3 LYS 105 223.251 14.149 -9.329 844 H SER 106 HN SER 106 222.970 13.981 -2.826 845 HA SER 106 HA SER 106 223.044 14.566 -0.619 846 HB2 SER 106 HB2 SER 106 225.742 15.762 -1.192 847 HB3 SER 106 HB1 SER 106 225.230 14.788 0.186 848 HG SER 106 HG SER 106 225.835 13.963 -2.442 849 H ASP 107 HN ASP 107 224.922 16.940 0.174 850 HA ASP 107 HA ASP 107 224.732 19.159 0.628 851 HB2 ASP 107 HB2 ASP 107 223.573 18.896 -2.018 852 HB3 ASP 107 HB1 ASP 107 222.780 20.175 -1.104 853 H LYS 108 HN LYS 108 223.198 20.780 1.492 854 HA LYS 108 HA LYS 108 221.095 19.427 2.969 855 HB2 LYS 108 HB2 LYS 108 222.881 21.570 3.476 856 HB3 LYS 108 HB1 LYS 108 221.251 22.221 3.566 857 HG2 LYS 108 HG2 LYS 108 220.698 20.960 5.391 858 HG3 LYS 108 HG1 LYS 108 221.839 19.676 4.985 859 HD2 LYS 108 HD2 LYS 108 223.677 21.352 5.511 860 HD3 LYS 108 HD1 LYS 108 222.412 22.359 6.219 861 HE2 LYS 108 HE2 LYS 108 223.346 21.124 8.005 862 HE3 LYS 108 HE1 LYS 108 221.796 20.366 7.642 863 HZ1 LYS 108 HZ1 LYS 108 224.507 19.350 7.221 864 HZ2 LYS 108 HZ2 LYS 108 223.317 18.895 6.109 865 HZ3 LYS 108 HZ3 LYS 108 223.119 18.539 7.750 866 H GLU 109 HN GLU 109 221.338 21.249 0.144 867 HA GLU 109 HA GLU 109 219.257 22.971 0.004 868 HB2 GLU 109 HB2 GLU 109 219.069 22.468 -2.365 869 HB3 GLU 109 HB1 GLU 109 220.758 22.457 -1.877 870 HG2 GLU 109 HG2 GLU 109 220.738 20.025 -1.813 871 HG3 GLU 109 HG1 GLU 109 219.034 20.021 -2.267 872 H ALA 110 HN ALA 110 217.077 22.950 -0.041 873 HA ALA 110 HA ALA 110 215.752 20.459 0.656 874 HB1 ALA 110 HB1 ALA 110 215.406 22.965 1.571 875 HB2 ALA 110 HB2 ALA 110 214.160 21.720 1.639 876 HB3 ALA 110 HB3 ALA 110 214.146 22.911 0.339 877 H GLY 111 HN GLY 111 213.689 19.866 -0.377 878 HA2 GLY 111 HA2 GLY 111 212.356 19.435 -2.204 879 HA3 GLY 111 HA1 GLY 111 213.018 20.876 -2.964 880 H ALA 112 HN ALA 112 215.317 18.610 -1.846 881 HA ALA 112 HA ALA 112 216.149 18.052 -4.550 882 HB1 ALA 112 HB1 ALA 112 217.869 18.502 -2.949 883 HB2 ALA 112 HB2 ALA 112 218.001 16.810 -3.429 884 HB3 ALA 112 HB3 ALA 112 217.276 17.233 -1.878 885 H HIS 113 HN HIS 113 215.902 16.206 -5.661 886 HA HIS 113 HA HIS 113 213.919 14.356 -4.897 887 HB2 HIS 113 HB2 HIS 113 215.993 14.308 -7.090 888 HB3 HIS 113 HB1 HIS 113 214.781 13.045 -6.895 889 HD1 HIS 113 HD1 HIS 113 213.671 13.617 -9.150 890 HD2 HIS 113 HD2 HIS 113 213.705 16.766 -6.439 891 HE1 HIS 113 HE1 HIS 113 212.098 15.335 -10.096 892 HE2 HIS 113 HE2 HIS 113 212.203 17.269 -8.484 893 H ILE 114 HN ILE 114 214.423 11.911 -5.089 894 HA ILE 114 HA ILE 114 216.861 11.205 -3.639 895 HB ILE 114 HB ILE 114 215.294 9.516 -2.410 896 HG12 ILE 114 HG12 ILE 114 213.297 10.402 -3.736 897 HG13 ILE 114 HG11 ILE 114 213.081 10.182 -2.005 898 HG21 ILE 114 HG21 ILE 114 216.196 10.694 -0.761 899 HG22 ILE 114 HG22 ILE 114 214.821 11.791 -0.871 900 HG23 ILE 114 HG23 ILE 114 216.297 12.134 -1.773 901 HD11 ILE 114 HD11 ILE 114 212.091 12.218 -2.364 902 HD12 ILE 114 HD12 ILE 114 213.267 12.699 -3.586 903 HD13 ILE 114 HD13 ILE 114 213.716 12.700 -1.882 904 H CYS 115 HN CYS 115 217.291 8.837 -3.696 905 HA CYS 115 HA CYS 115 215.888 7.293 -5.682 906 HB2 CYS 115 HB2 CYS 115 217.733 8.748 -6.810 907 HB3 CYS 115 HB1 CYS 115 218.847 7.619 -6.047 908 HG CYS 115 HG CYS 115 218.257 5.883 -7.698 909 H ALA 116 HN ALA 116 216.922 5.014 -5.764 910 HA ALA 116 HA ALA 116 217.689 4.337 -3.022 911 HB1 ALA 116 HB1 ALA 116 216.597 2.403 -3.295 912 HB2 ALA 116 HB2 ALA 116 217.321 2.117 -4.878 913 HB3 ALA 116 HB3 ALA 116 215.905 3.152 -4.733 914 H TRP 117 HN TRP 117 219.727 3.850 -2.540 915 HA TRP 117 HA TRP 117 221.483 2.937 -4.701 916 HB2 TRP 117 HB2 TRP 117 221.871 5.323 -4.505 917 HB3 TRP 117 HB1 TRP 117 222.175 5.161 -2.782 918 HD1 TRP 117 HD1 TRP 117 224.638 4.902 -2.117 919 HE1 TRP 117 HE1 TRP 117 226.826 4.350 -3.355 920 HE3 TRP 117 HE3 TRP 117 222.710 3.801 -6.722 921 HZ2 TRP 117 HZ2 TRP 117 227.628 3.554 -5.942 922 HZ3 TRP 117 HZ3 TRP 117 224.255 3.154 -8.524 923 HH2 TRP 117 HH2 TRP 117 226.663 3.033 -8.140 924 H LYS 118 HN LYS 118 223.510 2.071 -3.974 925 HA LYS 118 HA LYS 118 223.189 0.057 -2.059 926 HB2 LYS 118 HB2 LYS 118 224.985 0.525 -4.031 927 HB3 LYS 118 HB1 LYS 118 225.963 0.903 -2.620 928 HG2 LYS 118 HG2 LYS 118 224.507 -1.550 -2.225 929 HG3 LYS 118 HG1 LYS 118 225.459 -1.610 -3.709 930 HD2 LYS 118 HD2 LYS 118 226.549 -0.790 -1.019 931 HD3 LYS 118 HD1 LYS 118 226.675 -2.418 -1.689 932 HE2 LYS 118 HE2 LYS 118 227.919 0.124 -2.701 933 HE3 LYS 118 HE1 LYS 118 228.722 -1.359 -2.187 934 HZ1 LYS 118 HZ1 LYS 118 227.417 -0.734 -4.722 935 HZ2 LYS 118 HZ2 LYS 118 227.280 -2.323 -4.160 936 HZ3 LYS 118 HZ3 LYS 118 228.809 -1.648 -4.418 937 H GLN 119 HN GLN 119 223.164 0.164 0.083 938 HA GLN 119 HA GLN 119 223.835 2.511 1.517 939 HB2 GLN 119 HB2 GLN 119 222.146 0.880 2.279 940 HB3 GLN 119 HB1 GLN 119 223.422 -0.299 2.554 941 HG2 GLN 119 HG2 GLN 119 224.327 1.801 4.010 942 HG3 GLN 119 HG1 GLN 119 222.582 1.992 4.175 943 HE21 GLN 119 HE21 GLN 119 225.273 -0.203 4.660 944 HE22 GLN 119 HE22 GLN 119 224.511 -1.172 5.872 945 H HIS 120 HN HIS 120 225.673 3.168 2.412 946 HA HIS 120 HA HIS 120 227.820 1.254 2.907 947 HB2 HIS 120 HB2 HIS 120 229.436 2.982 1.887 948 HB3 HIS 120 HB1 HIS 120 228.519 1.963 0.782 949 HD1 HIS 120 HD1 HIS 120 228.014 5.385 2.392 950 HD2 HIS 120 HD2 HIS 120 227.464 3.415 -1.225 951 HE1 HIS 120 HE1 HIS 120 227.092 7.116 0.818 952 HE2 HIS 120 HE2 HIS 120 226.854 5.923 -1.389 953 H GLY 121 HN GLY 121 225.882 3.198 4.345 954 HA2 GLY 121 HA2 GLY 121 226.058 4.149 6.457 955 HA3 GLY 121 HA1 GLY 121 227.803 3.982 6.357 956 H GLY 122 HN GLY 122 226.450 5.496 3.628 957 HA2 GLY 122 HA2 GLY 122 227.831 7.909 4.075 958 HA3 GLY 122 HA1 GLY 122 226.609 7.646 2.841 959 HA PRO 123 HA PRO 123 225.184 10.145 6.856 960 HB2 PRO 123 HB2 PRO 123 226.056 12.508 5.270 961 HB3 PRO 123 HB1 PRO 123 226.119 12.239 7.015 962 HG2 PRO 123 HG2 PRO 123 228.330 12.099 5.537 963 HG3 PRO 123 HG1 PRO 123 228.061 10.979 6.885 964 HD2 PRO 123 HD2 PRO 123 227.809 10.509 3.947 965 HD3 PRO 123 HD1 PRO 123 228.397 9.419 5.219 966 H ASN 124 HN ASN 124 225.108 10.703 3.387 967 HA ASN 124 HA ASN 124 222.574 12.040 3.397 968 HB2 ASN 124 HB2 ASN 124 222.697 11.643 0.903 969 HB3 ASN 124 HB1 ASN 124 224.046 12.543 1.591 970 HD21 ASN 124 HD21 ASN 124 224.576 11.571 -0.747 971 HD22 ASN 124 HD22 ASN 124 225.551 10.147 -0.680 972 H GLN 125 HN GLN 125 223.373 8.873 3.970 973 HA GLN 125 HA GLN 125 220.915 7.830 2.746 974 HB2 GLN 125 HB2 GLN 125 222.970 6.080 4.044 975 HB3 GLN 125 HB1 GLN 125 221.859 5.704 2.737 976 HG2 GLN 125 HG2 GLN 125 223.653 7.777 1.908 977 HG3 GLN 125 HG1 GLN 125 224.565 6.420 2.562 978 HE21 GLN 125 HE21 GLN 125 223.823 7.600 -0.220 979 HE22 GLN 125 HE22 GLN 125 223.459 6.186 -1.143 980 H LYS 126 HN LYS 126 221.475 9.339 5.441 981 HA LYS 126 HA LYS 126 220.190 7.367 7.208 982 HB2 LYS 126 HB2 LYS 126 221.273 9.930 8.274 983 HB3 LYS 126 HB1 LYS 126 221.200 8.346 9.028 984 HG2 LYS 126 HG2 LYS 126 223.029 8.853 6.714 985 HG3 LYS 126 HG1 LYS 126 223.487 9.312 8.354 986 HD2 LYS 126 HD2 LYS 126 222.436 6.640 8.349 987 HD3 LYS 126 HD1 LYS 126 223.714 6.782 7.141 988 HE2 LYS 126 HE2 LYS 126 225.122 6.447 8.846 989 HE3 LYS 126 HE1 LYS 126 224.779 8.121 9.279 990 HZ1 LYS 126 HZ1 LYS 126 224.178 7.227 11.225 991 HZ2 LYS 126 HZ2 LYS 126 223.971 5.674 10.586 992 HZ3 LYS 126 HZ3 LYS 126 222.737 6.821 10.436 993 H PHE 127 HN PHE 127 218.288 7.823 8.277 994 HA PHE 127 HA PHE 127 217.037 10.430 7.848 995 HB2 PHE 127 HB2 PHE 127 215.479 7.891 7.403 996 HB3 PHE 127 HB1 PHE 127 215.008 9.539 7.010 997 HD1 PHE 127 HD1 PHE 127 217.284 6.785 6.070 998 HD2 PHE 127 HD2 PHE 127 215.525 10.487 4.926 999 HE1 PHE 127 HE1 PHE 127 218.117 6.468 3.777 1000 HE2 PHE 127 HE2 PHE 127 216.354 10.177 2.631 1001 HZ PHE 127 HZ PHE 127 217.650 8.163 2.055 1002 H ILE 128 HN ILE 128 215.274 10.843 9.333 1003 HA ILE 128 HA ILE 128 215.494 9.202 11.768 1004 HB ILE 128 HB ILE 128 214.393 11.952 11.907 1005 HG12 ILE 128 HG12 ILE 128 217.361 11.368 11.749 1006 HG13 ILE 128 HG11 ILE 128 216.425 12.194 10.508 1007 HG21 ILE 128 HG21 ILE 128 214.372 11.137 14.006 1008 HG22 ILE 128 HG22 ILE 128 216.057 11.658 14.004 1009 HG23 ILE 128 HG23 ILE 128 215.655 9.972 13.679 1010 HD11 ILE 128 HD11 ILE 128 216.128 14.090 11.833 1011 HD12 ILE 128 HD12 ILE 128 217.804 13.614 12.110 1012 HD13 ILE 128 HD13 ILE 128 216.570 13.236 13.312 1013 H ILE 129 HN ILE 129 213.701 8.480 12.748 1014 HA ILE 129 HA ILE 129 211.151 8.944 11.360 1015 HB ILE 129 HB ILE 129 211.878 6.516 12.991 1016 HG12 ILE 129 HG12 ILE 129 213.369 6.548 11.103 1017 HG13 ILE 129 HG11 ILE 129 212.099 5.376 10.767 1018 HG21 ILE 129 HG21 ILE 129 209.959 5.653 11.418 1019 HG22 ILE 129 HG22 ILE 129 209.534 7.365 11.380 1020 HG23 ILE 129 HG23 ILE 129 209.600 6.506 12.919 1021 HD11 ILE 129 HD11 ILE 129 211.056 7.614 9.650 1022 HD12 ILE 129 HD12 ILE 129 212.004 6.404 8.786 1023 HD13 ILE 129 HD13 ILE 129 212.782 7.865 9.392 1024 H GLU 130 HN GLU 130 209.325 9.392 12.514 1025 HA GLU 130 HA GLU 130 209.495 9.471 15.436 1026 HB2 GLU 130 HB2 GLU 130 209.811 11.758 13.940 1027 HB3 GLU 130 HB1 GLU 130 208.090 11.780 14.297 1028 HG2 GLU 130 HG2 GLU 130 209.755 11.150 16.608 1029 HG3 GLU 130 HG1 GLU 130 210.070 12.740 15.914 1030 H SER 131 HN SER 131 208.049 7.799 15.644 1031 HA SER 131 HA SER 131 205.727 7.363 14.199 1032 HB2 SER 131 HB2 SER 131 206.616 6.601 16.957 1033 HB3 SER 131 HB1 SER 131 204.961 6.252 16.456 1034 HG SER 131 HG SER 131 206.154 4.493 15.890 1035 H GLU 132 HN GLU 132 204.215 8.855 13.839 1036 HA GLU 132 HA GLU 132 203.533 10.883 15.735 1037 HB2 GLU 132 HB2 GLU 132 202.875 10.223 12.972 1038 HB3 GLU 132 HB1 GLU 132 201.487 10.831 13.862 1039 HG2 GLU 132 HG2 GLU 132 203.372 12.617 14.602 1040 HG3 GLU 132 HG1 GLU 132 203.921 12.211 12.977 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 193.978 7.240 11.361 2 H2 MET 1 HT2 MET 1 193.617 5.903 10.348 3 H3 MET 1 HT3 MET 1 194.984 5.853 11.384 4 HA MET 1 HA MET 1 193.347 6.169 13.248 5 HB2 MET 1 HB2 MET 1 191.644 5.857 10.864 6 HB3 MET 1 HB1 MET 1 191.183 4.846 12.226 7 HG2 MET 1 HG2 MET 1 190.617 6.626 13.540 8 HG3 MET 1 HG1 MET 1 191.720 7.727 12.715 9 HE1 MET 1 HE1 MET 1 188.493 7.280 13.650 10 HE2 MET 1 HE2 MET 1 187.985 6.080 12.461 11 HE3 MET 1 HE3 MET 1 187.391 7.737 12.351 12 H LYS 2 HN LYS 2 192.845 3.663 10.758 13 HA LYS 2 HA LYS 2 193.256 1.560 12.662 14 HB2 LYS 2 HB2 LYS 2 192.502 1.765 9.811 15 HB3 LYS 2 HB1 LYS 2 193.328 0.284 10.275 16 HG2 LYS 2 HG2 LYS 2 191.495 0.482 12.255 17 HG3 LYS 2 HG1 LYS 2 190.621 1.221 10.912 18 HD2 LYS 2 HD2 LYS 2 191.250 -0.801 9.543 19 HD3 LYS 2 HD1 LYS 2 191.828 -1.536 11.039 20 HE2 LYS 2 HE2 LYS 2 189.636 -1.432 12.006 21 HE3 LYS 2 HE1 LYS 2 189.028 -0.493 10.643 22 HZ1 LYS 2 HZ1 LYS 2 188.340 -2.530 9.994 23 HZ2 LYS 2 HZ2 LYS 2 189.548 -3.353 10.845 24 HZ3 LYS 2 HZ3 LYS 2 189.906 -2.625 9.361 25 HA PRO 3 HA PRO 3 197.312 0.745 10.236 26 HB2 PRO 3 HB2 PRO 3 198.042 2.412 8.244 27 HB3 PRO 3 HB1 PRO 3 196.950 1.047 7.980 28 HG2 PRO 3 HG2 PRO 3 196.302 3.946 8.353 29 HG3 PRO 3 HG1 PRO 3 195.626 2.790 7.192 30 HD2 PRO 3 HD2 PRO 3 194.362 3.492 9.497 31 HD3 PRO 3 HD1 PRO 3 194.171 1.901 8.734 32 H LYS 4 HN LYS 4 199.294 1.320 11.004 33 HA LYS 4 HA LYS 4 199.463 3.827 12.455 34 HB2 LYS 4 HB2 LYS 4 200.187 1.625 13.431 35 HB3 LYS 4 HB1 LYS 4 201.520 1.622 12.285 36 HG2 LYS 4 HG2 LYS 4 202.700 3.133 13.453 37 HG3 LYS 4 HG1 LYS 4 201.268 4.069 13.889 38 HD2 LYS 4 HD2 LYS 4 200.693 2.359 15.568 39 HD3 LYS 4 HD1 LYS 4 202.165 1.479 15.153 40 HE2 LYS 4 HE2 LYS 4 203.222 3.889 15.644 41 HE3 LYS 4 HE1 LYS 4 201.809 3.980 16.695 42 HZ1 LYS 4 HZ1 LYS 4 204.122 2.907 17.437 43 HZ2 LYS 4 HZ2 LYS 4 203.350 1.522 16.848 44 HZ3 LYS 4 HZ3 LYS 4 202.632 2.430 18.082 45 H PHE 5 HN PHE 5 200.275 5.595 11.575 46 HA PHE 5 HA PHE 5 202.053 5.363 9.259 47 HB2 PHE 5 HB2 PHE 5 201.575 7.982 9.312 48 HB3 PHE 5 HB1 PHE 5 200.448 6.848 8.578 49 HD1 PHE 5 HD1 PHE 5 198.401 6.186 9.790 50 HD2 PHE 5 HD2 PHE 5 201.004 9.218 11.254 51 HE1 PHE 5 HE1 PHE 5 196.620 6.986 11.286 52 HE2 PHE 5 HE2 PHE 5 199.228 10.023 12.754 53 HZ PHE 5 HZ PHE 5 197.033 8.907 12.772 54 H PHE 6 HN PHE 6 203.656 7.377 9.162 55 HA PHE 6 HA PHE 6 204.723 8.097 11.759 56 HB2 PHE 6 HB2 PHE 6 206.960 6.988 10.317 57 HB3 PHE 6 HB1 PHE 6 206.436 6.688 11.962 58 HD1 PHE 6 HD1 PHE 6 204.765 4.868 12.391 59 HD2 PHE 6 HD2 PHE 6 206.622 5.436 8.605 60 HE1 PHE 6 HE1 PHE 6 204.162 2.570 11.753 61 HE2 PHE 6 HE2 PHE 6 206.019 3.142 7.958 62 HZ PHE 6 HZ PHE 6 204.787 1.704 9.534 63 H TYR 7 HN TYR 7 206.916 9.239 11.455 64 HA TYR 7 HA TYR 7 206.693 10.925 9.063 65 HB2 TYR 7 HB2 TYR 7 206.754 11.627 11.815 66 HB3 TYR 7 HB1 TYR 7 208.264 12.184 11.103 67 HD1 TYR 7 HD1 TYR 7 208.088 13.599 8.954 68 HD2 TYR 7 HD2 TYR 7 204.808 12.886 11.567 69 HE1 TYR 7 HE1 TYR 7 206.934 15.565 8.032 70 HE2 TYR 7 HE2 TYR 7 203.644 14.849 10.652 71 HH TYR 7 HH TYR 7 204.358 16.270 7.849 72 H ILE 8 HN ILE 8 208.327 10.812 7.662 73 HA ILE 8 HA ILE 8 210.843 9.602 8.579 74 HB ILE 8 HB ILE 8 210.803 9.843 5.734 75 HG12 ILE 8 HG12 ILE 8 208.325 9.907 5.968 76 HG13 ILE 8 HG11 ILE 8 208.894 8.465 5.135 77 HG21 ILE 8 HG21 ILE 8 210.550 7.391 7.468 78 HG22 ILE 8 HG22 ILE 8 212.063 8.229 7.120 79 HG23 ILE 8 HG23 ILE 8 211.158 7.462 5.814 80 HD11 ILE 8 HD11 ILE 8 208.086 7.098 6.703 81 HD12 ILE 8 HD12 ILE 8 207.099 8.485 7.164 82 HD13 ILE 8 HD13 ILE 8 208.599 8.145 8.026 83 H LYS 9 HN LYS 9 212.300 11.073 9.101 84 HA LYS 9 HA LYS 9 212.413 13.574 7.574 85 HB2 LYS 9 HB2 LYS 9 212.086 13.809 9.974 86 HB3 LYS 9 HB1 LYS 9 213.530 12.856 10.283 87 HG2 LYS 9 HG2 LYS 9 214.611 14.789 10.400 88 HG3 LYS 9 HG1 LYS 9 214.447 14.865 8.645 89 HD2 LYS 9 HD2 LYS 9 213.016 16.563 8.762 90 HD3 LYS 9 HD1 LYS 9 212.050 15.758 9.998 91 HE2 LYS 9 HE2 LYS 9 214.649 17.162 10.581 92 HE3 LYS 9 HE1 LYS 9 213.079 17.958 10.676 93 HZ1 LYS 9 HZ1 LYS 9 212.541 16.871 12.561 94 HZ2 LYS 9 HZ2 LYS 9 214.220 16.758 12.740 95 HZ3 LYS 9 HZ3 LYS 9 213.346 15.448 12.123 96 H SER 10 HN SER 10 214.162 14.152 6.415 97 HA SER 10 HA SER 10 216.229 12.215 5.943 98 HB2 SER 10 HB2 SER 10 217.168 14.292 4.596 99 HB3 SER 10 HB1 SER 10 215.774 13.392 3.997 100 HG SER 10 HG SER 10 215.545 15.685 5.643 101 H GLU 11 HN GLU 11 217.680 11.930 7.511 102 HA GLU 11 HA GLU 11 218.406 13.818 9.444 103 HB2 GLU 11 HB2 GLU 11 218.682 11.450 9.851 104 HB3 GLU 11 HB1 GLU 11 219.832 11.320 8.529 105 HG2 GLU 11 HG2 GLU 11 221.541 12.093 9.760 106 HG3 GLU 11 HG1 GLU 11 220.538 13.267 10.611 107 H LEU 12 HN LEU 12 219.275 13.672 6.206 108 HA LEU 12 HA LEU 12 221.920 14.791 6.527 109 HB2 LEU 12 HB2 LEU 12 221.407 13.335 4.628 110 HB3 LEU 12 HB1 LEU 12 220.191 14.469 4.073 111 HG LEU 12 HG LEU 12 222.015 16.167 3.779 112 HD11 LEU 12 HD11 LEU 12 224.302 15.470 3.773 113 HD12 LEU 12 HD12 LEU 12 223.848 13.803 4.128 114 HD13 LEU 12 HD13 LEU 12 223.607 15.060 5.341 115 HD21 LEU 12 HD21 LEU 12 223.082 14.724 1.825 116 HD22 LEU 12 HD22 LEU 12 221.425 15.322 1.751 117 HD23 LEU 12 HD23 LEU 12 221.740 13.653 2.228 118 H ASN 13 HN ASN 13 218.964 15.976 4.909 119 HA ASN 13 HA ASN 13 219.877 18.706 5.092 120 HB2 ASN 13 HB2 ASN 13 217.164 17.831 4.147 121 HB3 ASN 13 HB1 ASN 13 218.108 19.220 3.631 122 HD21 ASN 13 HD21 ASN 13 216.901 16.599 2.443 123 HD22 ASN 13 HD22 ASN 13 218.152 16.063 1.380 124 H GLY 14 HN GLY 14 218.116 16.653 7.126 125 HA2 GLY 14 HA2 GLY 14 217.056 17.122 9.126 126 HA3 GLY 14 HA1 GLY 14 217.408 18.826 8.864 127 H LYS 15 HN LYS 15 215.980 17.612 6.126 128 HA LYS 15 HA LYS 15 213.436 18.862 6.762 129 HB2 LYS 15 HB2 LYS 15 214.147 17.663 4.103 130 HB3 LYS 15 HB1 LYS 15 213.113 19.033 4.452 131 HG2 LYS 15 HG2 LYS 15 216.061 19.149 4.950 132 HG3 LYS 15 HG1 LYS 15 215.374 19.483 3.361 133 HD2 LYS 15 HD2 LYS 15 213.806 21.005 5.005 134 HD3 LYS 15 HD1 LYS 15 215.381 21.106 5.794 135 HE2 LYS 15 HE2 LYS 15 215.255 21.475 2.846 136 HE3 LYS 15 HE1 LYS 15 214.672 22.784 3.873 137 HZ1 LYS 15 HZ1 LYS 15 216.875 22.571 5.067 138 HZ2 LYS 15 HZ2 LYS 15 216.928 23.224 3.507 139 HZ3 LYS 15 HZ3 LYS 15 217.390 21.618 3.767 140 H VAL 16 HN VAL 16 211.562 17.595 5.389 141 HA VAL 16 HA VAL 16 211.694 14.787 6.270 142 HB VAL 16 HB VAL 16 209.187 14.948 6.508 143 HG11 VAL 16 HG11 VAL 16 209.323 15.549 8.731 144 HG12 VAL 16 HG12 VAL 16 210.471 16.851 8.418 145 HG13 VAL 16 HG13 VAL 16 211.004 15.171 8.356 146 HG21 VAL 16 HG21 VAL 16 208.884 16.992 5.183 147 HG22 VAL 16 HG22 VAL 16 209.738 17.912 6.422 148 HG23 VAL 16 HG23 VAL 16 208.194 17.147 6.798 149 H LEU 17 HN LEU 17 210.935 13.242 4.876 150 HA LEU 17 HA LEU 17 210.878 13.914 2.108 151 HB2 LEU 17 HB2 LEU 17 209.877 11.318 3.253 152 HB3 LEU 17 HB1 LEU 17 210.624 11.603 1.693 153 HG LEU 17 HG LEU 17 212.007 11.647 4.375 154 HD11 LEU 17 HD11 LEU 17 211.937 9.429 3.956 155 HD12 LEU 17 HD12 LEU 17 213.307 9.818 2.915 156 HD13 LEU 17 HD13 LEU 17 211.693 9.651 2.223 157 HD21 LEU 17 HD21 LEU 17 212.836 13.341 2.700 158 HD22 LEU 17 HD22 LEU 17 213.273 11.980 1.666 159 HD23 LEU 17 HD23 LEU 17 214.026 12.161 3.250 160 H ASP 18 HN ASP 18 209.162 14.289 0.764 161 HA ASP 18 HA ASP 18 206.458 13.706 1.698 162 HB2 ASP 18 HB2 ASP 18 207.127 16.047 2.434 163 HB3 ASP 18 HB1 ASP 18 207.210 16.466 0.727 164 H ILE 19 HN ILE 19 204.876 13.749 0.025 165 HA ILE 19 HA ILE 19 205.918 12.983 -2.543 166 HB ILE 19 HB ILE 19 203.016 13.587 -2.043 167 HG12 ILE 19 HG12 ILE 19 203.844 12.214 -0.132 168 HG13 ILE 19 HG11 ILE 19 202.666 11.372 -1.129 169 HG21 ILE 19 HG21 ILE 19 202.625 11.899 -3.688 170 HG22 ILE 19 HG22 ILE 19 204.323 11.424 -3.678 171 HG23 ILE 19 HG23 ILE 19 203.852 13.000 -4.313 172 HD11 ILE 19 HD11 ILE 19 205.626 10.933 -0.974 173 HD12 ILE 19 HD12 ILE 19 204.647 10.303 -2.298 174 HD13 ILE 19 HD13 ILE 19 204.321 9.795 -0.641 175 H GLU 20 HN GLU 20 205.787 14.148 -4.493 176 HA GLU 20 HA GLU 20 205.910 16.969 -4.233 177 HB2 GLU 20 HB2 GLU 20 206.218 16.994 -6.652 178 HB3 GLU 20 HB1 GLU 20 207.224 15.762 -5.903 179 HG2 GLU 20 HG2 GLU 20 206.371 14.249 -7.254 180 HG3 GLU 20 HG1 GLU 20 204.770 14.543 -6.578 181 H GLY 21 HN GLY 21 204.403 18.477 -4.413 182 HA2 GLY 21 HA2 GLY 21 202.378 19.492 -4.753 183 HA3 GLY 21 HA1 GLY 21 202.177 18.397 -6.110 184 H GLN 22 HN GLN 22 202.628 16.841 -3.094 185 HA GLN 22 HA GLN 22 201.247 15.416 -1.958 186 HB2 GLN 22 HB2 GLN 22 199.399 17.804 -2.062 187 HB3 GLN 22 HB1 GLN 22 199.365 16.507 -0.876 188 HG2 GLN 22 HG2 GLN 22 201.161 17.307 0.263 189 HG3 GLN 22 HG1 GLN 22 201.886 18.035 -1.170 190 HE21 GLN 22 HE21 GLN 22 198.978 18.353 0.841 191 HE22 GLN 22 HE22 GLN 22 198.963 20.081 0.848 192 H ASN 23 HN ASN 23 201.007 15.328 -4.877 193 HA ASN 23 HA ASN 23 198.239 14.980 -5.521 194 HB2 ASN 23 HB2 ASN 23 200.085 15.622 -7.142 195 HB3 ASN 23 HB1 ASN 23 200.593 13.936 -7.091 196 HD21 ASN 23 HD21 ASN 23 197.443 15.565 -7.252 197 HD22 ASN 23 HD22 ASN 23 196.883 14.712 -8.646 198 HA PRO 24 HA PRO 24 198.240 10.828 -3.736 199 HB2 PRO 24 HB2 PRO 24 195.375 10.846 -4.258 200 HB3 PRO 24 HB1 PRO 24 196.222 10.824 -2.711 201 HG2 PRO 24 HG2 PRO 24 194.809 12.968 -3.591 202 HG3 PRO 24 HG1 PRO 24 196.221 13.110 -2.529 203 HD2 PRO 24 HD2 PRO 24 196.026 13.526 -5.490 204 HD3 PRO 24 HD1 PRO 24 196.913 14.470 -4.273 205 H ALA 25 HN ALA 25 197.744 11.827 -6.874 206 HA ALA 25 HA ALA 25 196.667 9.353 -7.904 207 HB1 ALA 25 HB1 ALA 25 196.335 10.462 -9.840 208 HB2 ALA 25 HB2 ALA 25 197.902 11.268 -9.772 209 HB3 ALA 25 HB3 ALA 25 196.552 11.882 -8.817 210 HA PRO 26 HA PRO 26 200.403 7.049 -8.403 211 HB2 PRO 26 HB2 PRO 26 199.340 6.392 -11.105 212 HB3 PRO 26 HB1 PRO 26 199.891 5.314 -9.821 213 HG2 PRO 26 HG2 PRO 26 197.296 5.605 -10.315 214 HG3 PRO 26 HG1 PRO 26 197.891 5.470 -8.650 215 HD2 PRO 26 HD2 PRO 26 196.979 7.887 -10.149 216 HD3 PRO 26 HD1 PRO 26 196.752 7.465 -8.439 217 H GLY 27 HN GLY 27 202.429 7.404 -9.215 218 HA2 GLY 27 HA2 GLY 27 203.942 8.019 -10.946 219 HA3 GLY 27 HA1 GLY 27 202.675 9.000 -11.666 220 H SER 28 HN SER 28 202.619 9.546 -8.386 221 HA SER 28 HA SER 28 203.689 12.171 -8.691 222 HB2 SER 28 HB2 SER 28 202.820 10.683 -6.201 223 HB3 SER 28 HB1 SER 28 203.175 12.408 -6.284 224 HG SER 28 HG SER 28 201.488 12.404 -8.004 225 H LYS 29 HN LYS 29 205.698 12.821 -8.441 226 HA LYS 29 HA LYS 29 207.775 11.001 -7.684 227 HB2 LYS 29 HB2 LYS 29 207.619 13.779 -8.714 228 HB3 LYS 29 HB1 LYS 29 209.052 13.373 -7.779 229 HG2 LYS 29 HG2 LYS 29 209.856 12.720 -9.766 230 HG3 LYS 29 HG1 LYS 29 208.935 11.250 -9.441 231 HD2 LYS 29 HD2 LYS 29 207.291 11.784 -10.943 232 HD3 LYS 29 HD1 LYS 29 207.537 13.522 -10.756 233 HE2 LYS 29 HE2 LYS 29 209.811 12.056 -11.905 234 HE3 LYS 29 HE1 LYS 29 208.354 12.069 -12.898 235 HZ1 LYS 29 HZ1 LYS 29 210.080 14.293 -12.101 236 HZ2 LYS 29 HZ2 LYS 29 208.430 14.608 -12.292 237 HZ3 LYS 29 HZ3 LYS 29 209.327 13.989 -13.586 238 H ILE 30 HN ILE 30 209.383 11.523 -5.990 239 HA ILE 30 HA ILE 30 208.060 12.787 -3.670 240 HB ILE 30 HB ILE 30 209.275 11.222 -2.225 241 HG12 ILE 30 HG12 ILE 30 210.105 9.884 -4.812 242 HG13 ILE 30 HG11 ILE 30 211.180 10.819 -3.778 243 HG21 ILE 30 HG21 ILE 30 207.643 9.905 -4.396 244 HG22 ILE 30 HG22 ILE 30 207.008 10.707 -2.960 245 HG23 ILE 30 HG23 ILE 30 207.959 9.231 -2.798 246 HD11 ILE 30 HD11 ILE 30 211.655 8.942 -2.713 247 HD12 ILE 30 HD12 ILE 30 210.402 8.069 -3.592 248 HD13 ILE 30 HD13 ILE 30 210.000 8.925 -2.105 249 H ILE 31 HN ILE 31 209.277 14.040 -2.256 250 HA ILE 31 HA ILE 31 212.102 14.464 -2.734 251 HB ILE 31 HB ILE 31 212.054 16.741 -3.287 252 HG12 ILE 31 HG12 ILE 31 210.115 17.280 -1.745 253 HG13 ILE 31 HG11 ILE 31 210.150 18.167 -3.261 254 HG21 ILE 31 HG21 ILE 31 210.863 16.821 -5.398 255 HG22 ILE 31 HG22 ILE 31 209.875 15.443 -4.913 256 HG23 ILE 31 HG23 ILE 31 211.608 15.239 -5.166 257 HD11 ILE 31 HD11 ILE 31 208.422 15.792 -2.633 258 HD12 ILE 31 HD12 ILE 31 208.472 16.642 -4.177 259 HD13 ILE 31 HD13 ILE 31 207.904 17.475 -2.729 260 H THR 32 HN THR 32 212.803 16.435 -1.247 261 HA THR 32 HA THR 32 211.569 15.873 1.365 262 HB THR 32 HB THR 32 213.608 16.235 2.384 263 HG1 THR 32 HG1 THR 32 214.688 17.941 1.882 264 HG21 THR 32 HG21 THR 32 213.826 14.304 0.866 265 HG22 THR 32 HG22 THR 32 215.357 15.113 1.199 266 HG23 THR 32 HG23 THR 32 214.538 15.376 -0.341 267 H TRP 33 HN TRP 33 211.124 17.588 2.836 268 HA TRP 33 HA TRP 33 211.329 20.322 1.907 269 HB2 TRP 33 HB2 TRP 33 209.208 19.307 0.892 270 HB3 TRP 33 HB1 TRP 33 208.578 19.255 2.535 271 HD1 TRP 33 HD1 TRP 33 207.036 21.234 2.975 272 HE1 TRP 33 HE1 TRP 33 206.948 23.709 2.277 273 HE3 TRP 33 HE3 TRP 33 211.199 21.390 0.011 274 HZ2 TRP 33 HZ2 TRP 33 208.445 25.491 0.681 275 HZ3 TRP 33 HZ3 TRP 33 211.801 23.519 -1.065 276 HH2 TRP 33 HH2 TRP 33 210.451 25.527 -0.736 277 H ASP 34 HN ASP 34 210.294 21.840 3.578 278 HA ASP 34 HA ASP 34 211.359 21.183 6.132 279 HB2 ASP 34 HB2 ASP 34 209.475 23.464 5.531 280 HB3 ASP 34 HB1 ASP 34 210.680 23.369 6.811 281 H GLN 35 HN GLN 35 210.399 20.369 7.907 282 HA GLN 35 HA GLN 35 208.007 18.975 7.775 283 HB2 GLN 35 HB2 GLN 35 209.980 18.956 9.523 284 HB3 GLN 35 HB1 GLN 35 208.933 20.064 10.400 285 HG2 GLN 35 HG2 GLN 35 207.123 18.250 10.032 286 HG3 GLN 35 HG1 GLN 35 208.497 17.191 9.720 287 HE21 GLN 35 HE21 GLN 35 206.698 16.843 11.834 288 HE22 GLN 35 HE22 GLN 35 207.550 17.071 13.320 289 H LYS 36 HN LYS 36 206.021 19.719 7.512 290 HA LYS 36 HA LYS 36 205.332 22.408 8.396 291 HB2 LYS 36 HB2 LYS 36 204.367 20.551 6.363 292 HB3 LYS 36 HB1 LYS 36 203.056 21.297 7.266 293 HG2 LYS 36 HG2 LYS 36 203.250 22.942 5.768 294 HG3 LYS 36 HG1 LYS 36 204.630 23.448 6.745 295 HD2 LYS 36 HD2 LYS 36 205.517 23.391 4.601 296 HD3 LYS 36 HD1 LYS 36 205.975 21.815 5.249 297 HE2 LYS 36 HE2 LYS 36 205.082 21.031 3.341 298 HE3 LYS 36 HE1 LYS 36 203.549 21.248 4.184 299 HZ1 LYS 36 HZ1 LYS 36 203.886 22.250 1.834 300 HZ2 LYS 36 HZ2 LYS 36 204.689 23.489 2.660 301 HZ3 LYS 36 HZ3 LYS 36 203.071 23.148 3.015 302 H LYS 37 HN LYS 37 203.046 22.646 9.328 303 HA LYS 37 HA LYS 37 202.487 20.488 11.245 304 HB2 LYS 37 HB2 LYS 37 202.631 23.446 11.846 305 HB3 LYS 37 HB1 LYS 37 201.998 22.238 12.956 306 HG2 LYS 37 HG2 LYS 37 204.417 21.175 12.396 307 HG3 LYS 37 HG1 LYS 37 204.772 22.898 12.258 308 HD2 LYS 37 HD2 LYS 37 203.157 22.133 14.595 309 HD3 LYS 37 HD1 LYS 37 204.807 21.507 14.586 310 HE2 LYS 37 HE2 LYS 37 204.203 24.397 14.039 311 HE3 LYS 37 HE1 LYS 37 204.403 23.785 15.681 312 HZ1 LYS 37 HZ1 LYS 37 206.610 23.515 15.407 313 HZ2 LYS 37 HZ2 LYS 37 206.412 24.706 14.223 314 HZ3 LYS 37 HZ3 LYS 37 206.486 23.076 13.778 315 H GLY 38 HN GLY 38 200.523 19.747 10.802 316 HA2 GLY 38 HA2 GLY 38 198.140 20.861 11.176 317 HA3 GLY 38 HA1 GLY 38 198.537 21.504 9.589 318 HA PRO 39 HA PRO 39 196.409 17.437 8.959 319 HB2 PRO 39 HB2 PRO 39 194.816 18.821 6.960 320 HB3 PRO 39 HB1 PRO 39 194.285 18.006 8.432 321 HG2 PRO 39 HG2 PRO 39 194.171 20.704 8.102 322 HG3 PRO 39 HG1 PRO 39 194.373 19.925 9.682 323 HD2 PRO 39 HD2 PRO 39 196.433 21.197 7.917 324 HD3 PRO 39 HD1 PRO 39 196.249 21.289 9.682 325 H THR 40 HN THR 40 198.442 19.414 7.220 326 HA THR 40 HA THR 40 198.304 17.751 4.806 327 HB THR 40 HB THR 40 198.182 20.161 4.415 328 HG1 THR 40 HG1 THR 40 199.315 18.847 2.903 329 HG21 THR 40 HG21 THR 40 199.286 21.498 5.810 330 HG22 THR 40 HG22 THR 40 200.682 21.179 4.781 331 HG23 THR 40 HG23 THR 40 200.439 20.241 6.255 332 H ALA 41 HN ALA 41 199.510 16.966 7.408 333 HA ALA 41 HA ALA 41 202.354 16.822 6.760 334 HB1 ALA 41 HB1 ALA 41 202.140 15.455 9.075 335 HB2 ALA 41 HB2 ALA 41 200.737 16.515 9.203 336 HB3 ALA 41 HB3 ALA 41 202.345 17.204 8.983 337 H VAL 42 HN VAL 42 199.495 14.944 6.572 338 HA VAL 42 HA VAL 42 200.334 12.314 6.793 339 HB VAL 42 HB VAL 42 198.397 13.433 4.750 340 HG11 VAL 42 HG11 VAL 42 199.213 11.009 4.549 341 HG12 VAL 42 HG12 VAL 42 197.476 11.309 4.543 342 HG13 VAL 42 HG13 VAL 42 198.262 10.718 6.003 343 HG21 VAL 42 HG21 VAL 42 196.710 12.740 6.547 344 HG22 VAL 42 HG22 VAL 42 197.623 14.227 6.804 345 HG23 VAL 42 HG23 VAL 42 198.084 12.751 7.653 346 H ASN 43 HN ASN 43 200.830 14.583 4.143 347 HA ASN 43 HA ASN 43 201.738 12.672 2.262 348 HB2 ASN 43 HB2 ASN 43 201.552 15.592 2.424 349 HB3 ASN 43 HB1 ASN 43 202.929 15.026 1.484 350 HD21 ASN 43 HD21 ASN 43 199.526 15.376 1.627 351 HD22 ASN 43 HD22 ASN 43 199.171 14.757 0.053 352 H GLN 44 HN GLN 44 203.137 13.724 5.093 353 HA GLN 44 HA GLN 44 205.851 13.100 4.140 354 HB2 GLN 44 HB2 GLN 44 204.820 14.939 6.276 355 HB3 GLN 44 HB1 GLN 44 206.422 14.239 6.429 356 HG2 GLN 44 HG2 GLN 44 207.281 15.710 5.023 357 HG3 GLN 44 HG1 GLN 44 206.071 15.323 3.803 358 HE21 GLN 44 HE21 GLN 44 206.674 17.766 3.606 359 HE22 GLN 44 HE22 GLN 44 205.576 18.842 4.395 360 H LEU 45 HN LEU 45 203.295 11.718 5.414 361 HA LEU 45 HA LEU 45 204.807 10.130 7.355 362 HB2 LEU 45 HB2 LEU 45 201.920 10.892 7.284 363 HB3 LEU 45 HB1 LEU 45 202.499 9.611 8.275 364 HG LEU 45 HG LEU 45 204.148 11.840 8.808 365 HD11 LEU 45 HD11 LEU 45 201.617 12.848 9.684 366 HD12 LEU 45 HD12 LEU 45 201.637 12.701 7.929 367 HD13 LEU 45 HD13 LEU 45 202.879 13.645 8.745 368 HD21 LEU 45 HD21 LEU 45 203.722 11.272 10.956 369 HD22 LEU 45 HD22 LEU 45 203.084 9.815 10.193 370 HD23 LEU 45 HD23 LEU 45 201.987 11.106 10.685 371 H TRP 46 HN TRP 46 204.707 7.948 7.273 372 HA TRP 46 HA TRP 46 203.119 6.738 5.129 373 HB2 TRP 46 HB2 TRP 46 206.045 6.292 5.699 374 HB3 TRP 46 HB1 TRP 46 205.080 5.301 4.616 375 HD1 TRP 46 HD1 TRP 46 205.741 9.129 4.951 376 HE1 TRP 46 HE1 TRP 46 206.135 10.060 2.581 377 HE3 TRP 46 HE3 TRP 46 205.162 4.812 2.268 378 HZ2 TRP 46 HZ2 TRP 46 206.189 9.093 -0.072 379 HZ3 TRP 46 HZ3 TRP 46 205.395 4.902 -0.177 380 HH2 TRP 46 HH2 TRP 46 205.898 6.999 -1.324 381 H TYR 47 HN TYR 47 203.159 4.296 5.324 382 HA TYR 47 HA TYR 47 203.451 3.408 8.079 383 HB2 TYR 47 HB2 TYR 47 201.206 2.320 8.016 384 HB3 TYR 47 HB1 TYR 47 201.161 4.076 8.048 385 HD1 TYR 47 HD1 TYR 47 200.353 5.335 6.145 386 HD2 TYR 47 HD2 TYR 47 200.473 1.084 6.060 387 HE1 TYR 47 HE1 TYR 47 198.851 5.338 4.196 388 HE2 TYR 47 HE2 TYR 47 198.977 1.076 4.109 389 HH TYR 47 HH TYR 47 198.154 2.428 2.408 390 H THR 48 HN THR 48 203.228 0.975 8.248 391 HA THR 48 HA THR 48 204.368 -0.239 5.823 392 HB THR 48 HB THR 48 205.000 -2.027 7.716 393 HG1 THR 48 HG1 THR 48 205.554 -0.861 9.611 394 HG21 THR 48 HG21 THR 48 207.168 -0.999 7.954 395 HG22 THR 48 HG22 THR 48 206.539 0.529 7.336 396 HG23 THR 48 HG23 THR 48 206.621 -0.883 6.282 397 H ASP 49 HN ASP 49 203.450 -1.981 4.885 398 HA ASP 49 HA ASP 49 200.797 -2.694 5.730 399 HB2 ASP 49 HB2 ASP 49 202.556 -3.578 3.450 400 HB3 ASP 49 HB1 ASP 49 200.994 -4.329 3.759 401 H GLN 50 HN GLN 50 200.191 -5.103 5.699 402 HA GLN 50 HA GLN 50 201.484 -6.354 7.880 403 HB2 GLN 50 HB2 GLN 50 199.416 -7.324 5.911 404 HB3 GLN 50 HB1 GLN 50 200.002 -8.321 7.236 405 HG2 GLN 50 HG2 GLN 50 199.332 -6.011 8.521 406 HG3 GLN 50 HG1 GLN 50 198.116 -6.093 7.247 407 HE21 GLN 50 HE21 GLN 50 198.402 -6.684 10.320 408 HE22 GLN 50 HE22 GLN 50 197.466 -8.125 10.498 409 H GLN 51 HN GLN 51 201.976 -6.503 4.461 410 HA GLN 51 HA GLN 51 203.537 -8.956 4.639 411 HB2 GLN 51 HB2 GLN 51 203.815 -8.619 2.165 412 HB3 GLN 51 HB1 GLN 51 202.153 -8.817 2.702 413 HG2 GLN 51 HG2 GLN 51 202.827 -6.041 2.718 414 HG3 GLN 51 HG1 GLN 51 203.246 -6.741 1.156 415 HE21 GLN 51 HE21 GLN 51 201.296 -8.663 0.909 416 HE22 GLN 51 HE22 GLN 51 199.752 -7.901 0.767 417 H GLY 52 HN GLY 52 204.086 -5.740 5.214 418 HA2 GLY 52 HA2 GLY 52 206.228 -4.964 5.896 419 HA3 GLY 52 HA1 GLY 52 206.964 -6.115 4.792 420 H VAL 53 HN VAL 53 204.366 -4.511 3.325 421 HA VAL 53 HA VAL 53 206.240 -2.861 1.811 422 HB VAL 53 HB VAL 53 203.344 -3.471 1.208 423 HG11 VAL 53 HG11 VAL 53 205.544 -2.124 -0.324 424 HG12 VAL 53 HG12 VAL 53 203.929 -1.521 0.049 425 HG13 VAL 53 HG13 VAL 53 204.136 -2.820 -1.126 426 HG21 VAL 53 HG21 VAL 53 203.961 -5.285 -0.059 427 HG22 VAL 53 HG22 VAL 53 205.123 -5.399 1.262 428 HG23 VAL 53 HG23 VAL 53 205.611 -4.705 -0.284 429 H ILE 54 HN ILE 54 206.404 -0.772 2.285 430 HA ILE 54 HA ILE 54 204.520 0.477 4.043 431 HB ILE 54 HB ILE 54 205.976 2.574 3.422 432 HG12 ILE 54 HG12 ILE 54 208.173 0.627 3.060 433 HG13 ILE 54 HG11 ILE 54 207.131 0.885 1.663 434 HG21 ILE 54 HG21 ILE 54 207.372 0.495 5.038 435 HG22 ILE 54 HG22 ILE 54 205.812 1.130 5.561 436 HG23 ILE 54 HG23 ILE 54 207.180 2.221 5.347 437 HD11 ILE 54 HD11 ILE 54 208.259 3.227 3.120 438 HD12 ILE 54 HD12 ILE 54 207.760 3.083 1.434 439 HD13 ILE 54 HD13 ILE 54 209.258 2.327 1.979 440 H ARG 55 HN ARG 55 203.332 2.313 3.660 441 HA ARG 55 HA ARG 55 202.950 3.250 0.940 442 HB2 ARG 55 HB2 ARG 55 200.590 2.284 2.561 443 HB3 ARG 55 HB1 ARG 55 200.569 2.888 0.912 444 HG2 ARG 55 HG2 ARG 55 202.031 0.390 1.723 445 HG3 ARG 55 HG1 ARG 55 200.353 0.398 1.182 446 HD2 ARG 55 HD2 ARG 55 202.267 1.827 -0.544 447 HD3 ARG 55 HD1 ARG 55 202.467 0.077 -0.463 448 HE ARG 55 HE ARG 55 200.382 1.505 -1.785 449 HH11 ARG 55 HH11 ARG 55 201.108 -1.462 -0.097 450 HH12 ARG 55 HH12 ARG 55 199.858 -2.363 -0.887 451 HH21 ARG 55 HH21 ARG 55 198.737 0.322 -2.823 452 HH22 ARG 55 HH22 ARG 55 198.511 -1.351 -2.434 453 H SER 56 HN SER 56 202.559 5.405 0.944 454 HA SER 56 HA SER 56 202.869 6.850 3.321 455 HB2 SER 56 HB2 SER 56 201.572 8.521 1.404 456 HB3 SER 56 HB1 SER 56 203.277 8.484 1.849 457 HG SER 56 HG SER 56 201.988 6.944 -0.153 458 H LYS 57 HN LYS 57 201.592 7.943 4.621 459 HA LYS 57 HA LYS 57 199.105 6.924 5.278 460 HB2 LYS 57 HB2 LYS 57 200.749 8.319 6.662 461 HB3 LYS 57 HB1 LYS 57 199.975 9.722 5.939 462 HG2 LYS 57 HG2 LYS 57 197.789 8.654 6.771 463 HG3 LYS 57 HG1 LYS 57 198.845 7.699 7.812 464 HD2 LYS 57 HD2 LYS 57 199.615 9.587 8.960 465 HD3 LYS 57 HD1 LYS 57 199.072 10.689 7.697 466 HE2 LYS 57 HE2 LYS 57 197.200 9.045 9.387 467 HE3 LYS 57 HE1 LYS 57 197.691 10.687 9.799 468 HZ1 LYS 57 HZ1 LYS 57 196.415 11.571 8.184 469 HZ2 LYS 57 HZ2 LYS 57 195.536 10.137 8.364 470 HZ3 LYS 57 HZ3 LYS 57 196.660 10.286 7.109 471 H LEU 58 HN LEU 58 199.942 9.246 2.873 472 HA LEU 58 HA LEU 58 197.766 10.888 2.700 473 HB2 LEU 58 HB2 LEU 58 198.506 11.450 0.634 474 HB3 LEU 58 HB1 LEU 58 199.923 10.606 1.222 475 HG LEU 58 HG LEU 58 197.816 9.355 -0.540 476 HD11 LEU 58 HD11 LEU 58 198.864 11.031 -1.840 477 HD12 LEU 58 HD12 LEU 58 199.636 9.506 -2.275 478 HD13 LEU 58 HD13 LEU 58 200.457 10.634 -1.196 479 HD21 LEU 58 HD21 LEU 58 198.927 7.424 -0.347 480 HD22 LEU 58 HD22 LEU 58 199.648 8.139 1.095 481 HD23 LEU 58 HD23 LEU 58 200.500 8.214 -0.447 482 H ASN 59 HN ASN 59 197.918 7.499 1.836 483 HA ASN 59 HA ASN 59 195.160 7.119 1.999 484 HB2 ASN 59 HB2 ASN 59 196.032 8.171 -0.546 485 HB3 ASN 59 HB1 ASN 59 195.337 6.566 -0.754 486 HD21 ASN 59 HD21 ASN 59 193.254 6.263 0.558 487 HD22 ASN 59 HD22 ASN 59 192.108 7.551 0.443 488 H ASP 60 HN ASP 60 197.176 5.803 -0.599 489 HA ASP 60 HA ASP 60 198.159 3.575 0.792 490 HB2 ASP 60 HB2 ASP 60 196.689 1.807 -0.131 491 HB3 ASP 60 HB1 ASP 60 195.835 2.882 0.973 492 H PHE 61 HN PHE 61 199.868 4.503 -0.530 493 HA PHE 61 HA PHE 61 200.013 3.145 -3.105 494 HB2 PHE 61 HB2 PHE 61 200.054 6.099 -2.719 495 HB3 PHE 61 HB1 PHE 61 201.161 5.412 -3.904 496 HD1 PHE 61 HD1 PHE 61 199.793 3.377 -5.258 497 HD2 PHE 61 HD2 PHE 61 198.204 7.008 -3.710 498 HE1 PHE 61 HE1 PHE 61 197.969 3.276 -6.905 499 HE2 PHE 61 HE2 PHE 61 196.377 6.913 -5.353 500 HZ PHE 61 HZ PHE 61 196.257 5.046 -6.954 501 H ALA 62 HN ALA 62 201.959 2.270 -3.462 502 HA ALA 62 HA ALA 62 204.072 2.839 -1.515 503 HB1 ALA 62 HB1 ALA 62 204.946 0.709 -3.015 504 HB2 ALA 62 HB2 ALA 62 203.198 0.478 -2.983 505 HB3 ALA 62 HB3 ALA 62 204.098 0.605 -1.472 506 H ILE 63 HN ILE 63 206.230 3.221 -2.169 507 HA ILE 63 HA ILE 63 206.440 4.747 -4.610 508 HB ILE 63 HB ILE 63 208.911 4.109 -3.111 509 HG12 ILE 63 HG12 ILE 63 207.770 6.292 -1.720 510 HG13 ILE 63 HG11 ILE 63 206.573 5.004 -1.696 511 HG21 ILE 63 HG21 ILE 63 209.344 6.481 -3.489 512 HG22 ILE 63 HG22 ILE 63 207.722 6.675 -4.152 513 HG23 ILE 63 HG23 ILE 63 208.898 5.658 -4.982 514 HD11 ILE 63 HD11 ILE 63 208.095 3.506 -0.662 515 HD12 ILE 63 HD12 ILE 63 208.164 5.028 0.228 516 HD13 ILE 63 HD13 ILE 63 209.445 4.613 -0.912 517 H ASP 64 HN ASP 64 207.900 4.309 -6.322 518 HA ASP 64 HA ASP 64 208.941 1.575 -6.382 519 HB2 ASP 64 HB2 ASP 64 208.126 1.175 -8.589 520 HB3 ASP 64 HB1 ASP 64 206.771 1.737 -7.614 521 H ALA 65 HN ALA 65 210.914 1.344 -7.102 522 HA ALA 65 HA ALA 65 212.324 3.735 -8.063 523 HB1 ALA 65 HB1 ALA 65 213.656 2.951 -6.411 524 HB2 ALA 65 HB2 ALA 65 214.322 1.999 -7.737 525 HB3 ALA 65 HB3 ALA 65 213.146 1.279 -6.637 526 H SER 66 HN SER 66 210.611 2.554 -9.916 527 HA SER 66 HA SER 66 212.020 0.781 -11.655 528 HB2 SER 66 HB2 SER 66 209.527 2.442 -12.051 529 HB3 SER 66 HB1 SER 66 210.152 1.317 -13.257 530 HG SER 66 HG SER 66 209.018 -0.098 -12.199 531 H HIS 67 HN HIS 67 211.364 4.259 -11.675 532 HA HIS 67 HA HIS 67 213.054 4.576 -14.038 533 HB2 HIS 67 HB2 HIS 67 211.177 6.444 -12.598 534 HB3 HIS 67 HB1 HIS 67 212.236 6.970 -13.895 535 HD1 HIS 67 HD1 HIS 67 209.041 5.257 -13.241 536 HD2 HIS 67 HD2 HIS 67 211.591 5.869 -16.464 537 HE1 HIS 67 HE1 HIS 67 207.703 4.651 -15.282 538 HE2 HIS 67 HE2 HIS 67 209.244 5.096 -17.225 539 H GLU 68 HN GLU 68 214.429 6.664 -13.979 540 HA GLU 68 HA GLU 68 216.561 6.349 -12.297 541 HB2 GLU 68 HB2 GLU 68 215.679 9.036 -13.344 542 HB3 GLU 68 HB1 GLU 68 217.318 8.515 -12.982 543 HG2 GLU 68 HG2 GLU 68 216.479 6.665 -14.830 544 HG3 GLU 68 HG1 GLU 68 215.729 8.159 -15.390 545 H GLN 69 HN GLN 69 213.815 8.545 -11.830 546 HA GLN 69 HA GLN 69 214.725 9.036 -9.085 547 HB2 GLN 69 HB2 GLN 69 212.414 10.588 -9.713 548 HB3 GLN 69 HB1 GLN 69 214.050 11.140 -9.400 549 HG2 GLN 69 HG2 GLN 69 214.611 11.036 -11.713 550 HG3 GLN 69 HG1 GLN 69 213.092 10.231 -12.099 551 HE21 GLN 69 HE21 GLN 69 211.865 11.553 -13.205 552 HE22 GLN 69 HE22 GLN 69 211.594 13.224 -12.861 553 H ILE 70 HN ILE 70 213.344 8.663 -7.323 554 HA ILE 70 HA ILE 70 211.506 6.500 -7.749 555 HB ILE 70 HB ILE 70 211.652 7.821 -5.084 556 HG12 ILE 70 HG12 ILE 70 213.979 7.858 -5.804 557 HG13 ILE 70 HG11 ILE 70 213.750 6.610 -4.588 558 HG21 ILE 70 HG21 ILE 70 210.997 5.802 -4.335 559 HG22 ILE 70 HG22 ILE 70 212.062 4.933 -5.440 560 HG23 ILE 70 HG23 ILE 70 210.511 5.547 -6.011 561 HD11 ILE 70 HD11 ILE 70 214.883 5.326 -6.020 562 HD12 ILE 70 HD12 ILE 70 214.547 6.384 -7.391 563 HD13 ILE 70 HD13 ILE 70 213.343 5.206 -6.870 564 H GLU 71 HN GLU 71 209.365 6.420 -7.407 565 HA GLU 71 HA GLU 71 207.883 8.874 -6.839 566 HB2 GLU 71 HB2 GLU 71 206.383 8.437 -8.819 567 HB3 GLU 71 HB1 GLU 71 207.997 9.014 -9.211 568 HG2 GLU 71 HG2 GLU 71 208.451 6.389 -9.339 569 HG3 GLU 71 HG1 GLU 71 206.734 6.398 -9.737 570 H THR 72 HN THR 72 205.475 8.399 -6.714 571 HA THR 72 HA THR 72 205.123 5.815 -5.371 572 HB THR 72 HB THR 72 203.240 6.878 -4.197 573 HG1 THR 72 HG1 THR 72 202.761 8.411 -5.878 574 HG21 THR 72 HG21 THR 72 204.464 8.027 -2.659 575 HG22 THR 72 HG22 THR 72 205.420 8.866 -3.881 576 HG23 THR 72 HG23 THR 72 205.755 7.175 -3.506 577 H GLN 73 HN GLN 73 203.574 4.401 -5.985 578 HA GLN 73 HA GLN 73 201.408 5.125 -7.714 579 HB2 GLN 73 HB2 GLN 73 202.780 2.994 -9.103 580 HB3 GLN 73 HB1 GLN 73 202.192 4.527 -9.726 581 HG2 GLN 73 HG2 GLN 73 204.278 5.600 -8.981 582 HG3 GLN 73 HG1 GLN 73 204.865 4.031 -8.430 583 HE21 GLN 73 HE21 GLN 73 205.082 6.191 -10.842 584 HE22 GLN 73 HE22 GLN 73 205.505 5.150 -12.154 585 HA PRO 74 HA PRO 74 199.427 1.571 -6.043 586 HB2 PRO 74 HB2 PRO 74 198.657 0.097 -8.260 587 HB3 PRO 74 HB1 PRO 74 197.756 1.453 -7.575 588 HG2 PRO 74 HG2 PRO 74 199.619 1.393 -9.901 589 HG3 PRO 74 HG1 PRO 74 198.108 2.297 -9.692 590 HD2 PRO 74 HD2 PRO 74 200.500 3.484 -9.462 591 HD3 PRO 74 HD1 PRO 74 199.130 3.955 -8.437 592 H PHE 75 HN PHE 75 200.162 -0.264 -5.145 593 HA PHE 75 HA PHE 75 202.646 -1.365 -5.860 594 HB2 PHE 75 HB2 PHE 75 201.726 -1.489 -3.586 595 HB3 PHE 75 HB1 PHE 75 200.446 -2.554 -4.157 596 HD1 PHE 75 HD2 PHE 75 204.098 -2.552 -4.878 597 HD2 PHE 75 HD1 PHE 75 200.793 -4.599 -3.148 598 HE1 PHE 75 HE2 PHE 75 205.536 -4.501 -4.447 599 HE2 PHE 75 HE1 PHE 75 202.225 -6.552 -2.713 600 HZ PHE 75 HZ PHE 75 204.600 -6.505 -3.363 601 H ASP 76 HN ASP 76 203.221 -2.982 -7.191 602 HA ASP 76 HA ASP 76 201.068 -4.542 -8.462 603 HB2 ASP 76 HB2 ASP 76 203.280 -2.995 -9.642 604 HB3 ASP 76 HB1 ASP 76 203.077 -4.611 -10.311 605 HA PRO 77 HA PRO 77 203.229 -8.084 -6.915 606 HB2 PRO 77 HB2 PRO 77 202.182 -9.984 -8.549 607 HB3 PRO 77 HB1 PRO 77 201.280 -9.258 -7.214 608 HG2 PRO 77 HG2 PRO 77 201.188 -8.611 -10.135 609 HG3 PRO 77 HG1 PRO 77 199.850 -8.776 -8.983 610 HD2 PRO 77 HD2 PRO 77 200.816 -6.368 -9.746 611 HD3 PRO 77 HD1 PRO 77 200.165 -6.660 -8.121 612 H ASN 78 HN ASN 78 203.185 -7.468 -10.395 613 HA ASN 78 HA ASN 78 205.519 -9.136 -10.819 614 HB2 ASN 78 HB2 ASN 78 203.598 -7.673 -12.569 615 HB3 ASN 78 HB1 ASN 78 205.197 -8.034 -13.211 616 HD21 ASN 78 HD21 ASN 78 202.230 -9.390 -11.978 617 HD22 ASN 78 HD22 ASN 78 202.458 -10.977 -12.619 618 H ASN 79 HN ASN 79 205.112 -6.094 -9.636 619 HA ASN 79 HA ASN 79 207.545 -5.068 -10.933 620 HB2 ASN 79 HB2 ASN 79 205.069 -3.801 -9.997 621 HB3 ASN 79 HB1 ASN 79 206.535 -2.952 -9.515 622 HD21 ASN 79 HD21 ASN 79 207.193 -1.473 -10.879 623 HD22 ASN 79 HD22 ASN 79 206.924 -1.461 -12.586 624 HA PRO 80 HA PRO 80 209.170 -6.075 -6.806 625 HB2 PRO 80 HB2 PRO 80 211.782 -6.122 -8.056 626 HB3 PRO 80 HB1 PRO 80 210.865 -7.460 -7.362 627 HG2 PRO 80 HG2 PRO 80 211.367 -7.194 -10.034 628 HG3 PRO 80 HG1 PRO 80 209.965 -8.055 -9.376 629 HD2 PRO 80 HD2 PRO 80 210.135 -5.285 -10.501 630 HD3 PRO 80 HD1 PRO 80 208.865 -6.510 -10.704 631 H LYS 81 HN LYS 81 208.852 -3.297 -8.084 632 HA LYS 81 HA LYS 81 211.083 -2.005 -6.691 633 HB2 LYS 81 HB2 LYS 81 209.507 -1.150 -9.116 634 HB3 LYS 81 HB1 LYS 81 210.605 -0.091 -8.255 635 HG2 LYS 81 HG2 LYS 81 211.983 -0.838 -9.904 636 HG3 LYS 81 HG1 LYS 81 212.303 -2.051 -8.662 637 HD2 LYS 81 HD2 LYS 81 211.062 -3.677 -9.749 638 HD3 LYS 81 HD1 LYS 81 210.123 -2.494 -10.660 639 HE2 LYS 81 HE2 LYS 81 213.059 -3.037 -11.076 640 HE3 LYS 81 HE1 LYS 81 211.766 -3.750 -12.039 641 HZ1 LYS 81 HZ1 LYS 81 212.832 -1.049 -12.077 642 HZ2 LYS 81 HZ2 LYS 81 211.153 -1.174 -12.233 643 HZ3 LYS 81 HZ3 LYS 81 212.165 -1.969 -13.331 644 H ARG 82 HN ARG 82 207.658 -2.350 -6.977 645 HA ARG 82 HA ARG 82 207.044 0.077 -5.520 646 HB2 ARG 82 HB2 ARG 82 205.297 -2.145 -6.561 647 HB3 ARG 82 HB1 ARG 82 204.690 -0.720 -5.729 648 HG2 ARG 82 HG2 ARG 82 204.876 0.563 -7.545 649 HG3 ARG 82 HG1 ARG 82 206.458 -0.099 -7.962 650 HD2 ARG 82 HD2 ARG 82 205.538 -1.316 -9.563 651 HD3 ARG 82 HD1 ARG 82 204.525 -2.129 -8.374 652 HE ARG 82 HE ARG 82 202.769 -0.692 -8.906 653 HH11 ARG 82 HH11 ARG 82 205.654 0.143 -10.694 654 HH12 ARG 82 HH12 ARG 82 204.810 1.150 -11.820 655 HH21 ARG 82 HH21 ARG 82 201.666 0.636 -10.387 656 HH22 ARG 82 HH22 ARG 82 202.550 1.432 -11.646 657 H ALA 83 HN ALA 83 208.509 -2.339 -4.310 658 HA ALA 83 HA ALA 83 206.795 -2.508 -1.918 659 HB1 ALA 83 HB1 ALA 83 207.574 -4.660 -3.580 660 HB2 ALA 83 HB2 ALA 83 206.681 -4.717 -2.061 661 HB3 ALA 83 HB3 ALA 83 208.440 -4.826 -2.052 662 H TRP 84 HN TRP 84 207.855 -1.057 -0.669 663 HA TRP 84 HA TRP 84 210.753 -1.429 -0.334 664 HB2 TRP 84 HB2 TRP 84 209.002 0.967 0.232 665 HB3 TRP 84 HB1 TRP 84 210.733 0.887 0.562 666 HD1 TRP 84 HD1 TRP 84 208.333 0.638 -2.474 667 HE1 TRP 84 HE1 TRP 84 209.589 1.502 -4.546 668 HE3 TRP 84 HE3 TRP 84 212.897 1.470 -0.353 669 HZ2 TRP 84 HZ2 TRP 84 212.166 2.438 -5.183 670 HZ3 TRP 84 HZ3 TRP 84 214.704 2.352 -1.757 671 HH2 TRP 84 HH2 TRP 84 214.347 2.825 -4.126 672 H ILE 85 HN ILE 85 211.638 -1.878 1.577 673 HA ILE 85 HA ILE 85 209.813 -2.201 3.876 674 HB ILE 85 HB ILE 85 211.476 -3.875 4.716 675 HG12 ILE 85 HG12 ILE 85 212.571 -4.318 2.019 676 HG13 ILE 85 HG11 ILE 85 213.130 -2.842 2.800 677 HG21 ILE 85 HG21 ILE 85 210.230 -5.491 3.805 678 HG22 ILE 85 HG22 ILE 85 210.722 -5.069 2.165 679 HG23 ILE 85 HG23 ILE 85 209.406 -4.192 2.944 680 HD11 ILE 85 HD11 ILE 85 214.678 -4.149 3.718 681 HD12 ILE 85 HD12 ILE 85 213.781 -5.624 3.356 682 HD13 ILE 85 HD13 ILE 85 213.388 -4.683 4.796 683 H VAL 86 HN VAL 86 210.695 -1.699 6.000 684 HA VAL 86 HA VAL 86 212.738 0.397 5.827 685 HB VAL 86 HB VAL 86 210.950 -0.132 8.190 686 HG11 VAL 86 HG11 VAL 86 212.450 1.346 9.003 687 HG12 VAL 86 HG12 VAL 86 211.424 2.514 8.170 688 HG13 VAL 86 HG13 VAL 86 212.901 1.933 7.402 689 HG21 VAL 86 HG21 VAL 86 210.401 1.572 5.766 690 HG22 VAL 86 HG22 VAL 86 209.532 1.730 7.292 691 HG23 VAL 86 HG23 VAL 86 209.440 0.225 6.377 692 H SER 87 HN SER 87 214.677 0.117 6.680 693 HA SER 87 HA SER 87 215.079 -2.105 8.574 694 HB2 SER 87 HB2 SER 87 216.111 -2.691 6.463 695 HB3 SER 87 HB1 SER 87 216.924 -1.128 6.381 696 HG SER 87 HG SER 87 217.340 -2.947 8.507 697 H GLY 88 HN GLY 88 215.003 -0.908 10.450 698 HA2 GLY 88 HA2 GLY 88 215.924 0.340 12.147 699 HA3 GLY 88 HA1 GLY 88 217.363 0.519 11.154 700 H ASN 89 HN ASN 89 217.716 2.379 10.087 701 HA ASN 89 HA ASN 89 215.635 4.453 10.287 702 HB2 ASN 89 HB2 ASN 89 217.397 6.086 10.632 703 HB3 ASN 89 HB1 ASN 89 217.562 4.801 11.823 704 HD21 ASN 89 HD21 ASN 89 218.732 5.778 8.614 705 HD22 ASN 89 HD22 ASN 89 220.326 5.146 8.816 706 H THR 90 HN THR 90 216.168 2.596 8.061 707 HA THR 90 HA THR 90 216.561 4.623 6.010 708 HB THR 90 HB THR 90 217.992 2.658 4.880 709 HG1 THR 90 HG1 THR 90 219.391 1.829 6.496 710 HG21 THR 90 HG21 THR 90 218.602 5.119 5.457 711 HG22 THR 90 HG22 THR 90 219.872 3.935 5.147 712 HG23 THR 90 HG23 THR 90 219.464 4.378 6.805 713 H ILE 91 HN ILE 91 215.649 4.193 4.055 714 HA ILE 91 HA ILE 91 213.651 2.047 4.023 715 HB ILE 91 HB ILE 91 213.985 4.222 1.953 716 HG12 ILE 91 HG12 ILE 91 213.740 5.346 4.086 717 HG13 ILE 91 HG11 ILE 91 212.221 5.463 3.202 718 HG21 ILE 91 HG21 ILE 91 212.496 2.772 1.031 719 HG22 ILE 91 HG22 ILE 91 211.375 3.720 2.007 720 HG23 ILE 91 HG23 ILE 91 211.952 2.160 2.592 721 HD11 ILE 91 HD11 ILE 91 211.155 4.593 4.926 722 HD12 ILE 91 HD12 ILE 91 212.678 4.466 5.806 723 HD13 ILE 91 HD13 ILE 91 212.126 3.126 4.801 724 H ALA 92 HN ALA 92 214.114 0.198 3.006 725 HA ALA 92 HA ALA 92 216.075 0.300 0.805 726 HB1 ALA 92 HB1 ALA 92 215.768 -2.108 2.559 727 HB2 ALA 92 HB2 ALA 92 216.799 -0.759 3.036 728 HB3 ALA 92 HB3 ALA 92 217.128 -1.636 1.541 729 H GLN 93 HN GLN 93 215.769 -0.964 -0.965 730 HA GLN 93 HA GLN 93 213.136 -1.581 -1.738 731 HB2 GLN 93 HB2 GLN 93 215.347 -1.104 -3.104 732 HB3 GLN 93 HB1 GLN 93 215.489 -2.853 -3.068 733 HG2 GLN 93 HG2 GLN 93 213.884 -3.143 -4.577 734 HG3 GLN 93 HG1 GLN 93 212.845 -1.917 -3.851 735 HE21 GLN 93 HE21 GLN 93 214.558 0.275 -4.004 736 HE22 GLN 93 HE22 GLN 93 214.782 0.694 -5.663 737 H LEU 94 HN LEU 94 212.139 -3.552 -2.146 738 HA LEU 94 HA LEU 94 212.502 -5.557 -0.218 739 HB2 LEU 94 HB2 LEU 94 210.745 -6.753 -1.277 740 HB3 LEU 94 HB1 LEU 94 210.355 -5.053 -1.375 741 HG LEU 94 HG LEU 94 211.513 -6.644 -3.668 742 HD11 LEU 94 HD11 LEU 94 208.848 -6.612 -2.615 743 HD12 LEU 94 HD12 LEU 94 209.518 -7.540 -3.956 744 HD13 LEU 94 HD13 LEU 94 208.879 -5.922 -4.237 745 HD21 LEU 94 HD21 LEU 94 211.909 -4.557 -4.429 746 HD22 LEU 94 HD22 LEU 94 210.811 -3.820 -3.272 747 HD23 LEU 94 HD23 LEU 94 210.176 -4.539 -4.743 748 H SER 95 HN SER 95 213.091 -5.776 -3.745 749 HA SER 95 HA SER 95 214.450 -8.278 -3.453 750 HB2 SER 95 HB2 SER 95 214.760 -8.168 -5.868 751 HB3 SER 95 HB1 SER 95 213.103 -7.733 -5.450 752 HG SER 95 HG SER 95 215.208 -5.910 -6.004 753 H ASP 96 HN ASP 96 215.486 -5.200 -2.813 754 HA ASP 96 HA ASP 96 218.266 -6.021 -3.214 755 HB2 ASP 96 HB2 ASP 96 217.049 -3.399 -4.076 756 HB3 ASP 96 HB1 ASP 96 218.781 -3.610 -3.841 757 H ARG 97 HN ARG 97 218.269 -6.479 -0.971 758 HA ARG 97 HA ARG 97 217.598 -4.568 1.007 759 HB2 ARG 97 HB2 ARG 97 218.889 -7.212 0.918 760 HB3 ARG 97 HB1 ARG 97 219.436 -6.181 2.233 761 HG2 ARG 97 HG2 ARG 97 217.678 -6.931 3.363 762 HG3 ARG 97 HG1 ARG 97 216.701 -5.898 2.317 763 HD2 ARG 97 HD2 ARG 97 215.754 -8.092 2.286 764 HD3 ARG 97 HD1 ARG 97 216.517 -7.804 0.723 765 HE ARG 97 HE ARG 97 218.464 -9.052 2.098 766 HH11 ARG 97 HH11 ARG 97 215.097 -9.819 1.582 767 HH12 ARG 97 HH12 ARG 97 215.343 -11.530 1.681 768 HH21 ARG 97 HH21 ARG 97 218.788 -11.301 2.228 769 HH22 ARG 97 HH22 ARG 97 217.438 -12.372 2.050 770 H ASP 98 HN ASP 98 220.254 -4.914 -1.102 771 HA ASP 98 HA ASP 98 222.060 -3.345 0.564 772 HB2 ASP 98 HB2 ASP 98 222.528 -5.345 -1.244 773 HB3 ASP 98 HB1 ASP 98 222.857 -3.912 -2.215 774 H ILE 99 HN ILE 99 219.467 -2.526 -1.016 775 HA ILE 99 HA ILE 99 220.602 -0.043 -2.109 776 HB ILE 99 HB ILE 99 218.389 -1.775 -3.189 777 HG12 ILE 99 HG12 ILE 99 220.760 -2.020 -3.983 778 HG13 ILE 99 HG11 ILE 99 219.603 -1.632 -5.251 779 HG21 ILE 99 HG21 ILE 99 218.786 1.168 -3.655 780 HG22 ILE 99 HG22 ILE 99 217.329 0.334 -3.114 781 HG23 ILE 99 HG23 ILE 99 217.899 0.129 -4.771 782 HD11 ILE 99 HD11 ILE 99 221.932 -0.410 -5.053 783 HD12 ILE 99 HD12 ILE 99 221.022 0.617 -3.946 784 HD13 ILE 99 HD13 ILE 99 220.485 0.428 -5.615 785 H VAL 100 HN VAL 100 219.810 1.772 -1.197 786 HA VAL 100 HA VAL 100 217.186 1.719 0.071 787 HB VAL 100 HB VAL 100 217.973 2.671 2.158 788 HG11 VAL 100 HG11 VAL 100 218.206 0.029 1.398 789 HG12 VAL 100 HG12 VAL 100 218.209 0.642 3.047 790 HG13 VAL 100 HG13 VAL 100 219.734 0.367 2.204 791 HG21 VAL 100 HG21 VAL 100 220.557 2.691 0.737 792 HG22 VAL 100 HG22 VAL 100 220.612 2.260 2.446 793 HG23 VAL 100 HG23 VAL 100 219.918 3.802 1.948 794 H LEU 101 HN LEU 101 216.119 3.611 -0.057 795 HA LEU 101 HA LEU 101 216.818 5.591 -1.797 796 HB2 LEU 101 HB2 LEU 101 215.188 6.043 0.689 797 HB3 LEU 101 HB1 LEU 101 215.151 7.004 -0.765 798 HG LEU 101 HG LEU 101 214.445 4.112 -0.872 799 HD11 LEU 101 HD11 LEU 101 212.261 6.081 -0.584 800 HD12 LEU 101 HD12 LEU 101 213.137 5.638 0.881 801 HD13 LEU 101 HD13 LEU 101 212.339 4.393 -0.081 802 HD21 LEU 101 HD21 LEU 101 212.906 5.145 -2.677 803 HD22 LEU 101 HD22 LEU 101 214.628 4.963 -3.014 804 HD23 LEU 101 HD23 LEU 101 213.982 6.537 -2.550 805 H ASP 102 HN ASP 102 217.456 7.697 -1.638 806 HA ASP 102 HA ASP 102 218.864 8.623 0.707 807 HB2 ASP 102 HB2 ASP 102 220.447 7.080 -0.334 808 HB3 ASP 102 HB1 ASP 102 220.269 7.916 -1.868 809 H ILE 103 HN ILE 103 219.910 10.781 0.225 810 HA ILE 103 HA ILE 103 218.066 12.367 -1.373 811 HB ILE 103 HB ILE 103 220.396 13.328 0.293 812 HG12 ILE 103 HG12 ILE 103 218.232 13.989 1.754 813 HG13 ILE 103 HG11 ILE 103 217.639 12.503 1.019 814 HG21 ILE 103 HG21 ILE 103 217.955 14.905 -0.424 815 HG22 ILE 103 HG22 ILE 103 219.318 14.793 -1.538 816 HG23 ILE 103 HG23 ILE 103 219.547 15.478 0.071 817 HD11 ILE 103 HD11 ILE 103 219.139 12.696 3.307 818 HD12 ILE 103 HD12 ILE 103 220.323 12.227 2.087 819 HD13 ILE 103 HD13 ILE 103 218.888 11.237 2.349 820 H ILE 104 HN ILE 104 218.496 12.937 -3.444 821 HA ILE 104 HA ILE 104 220.911 12.208 -4.704 822 HB ILE 104 HB ILE 104 218.817 12.385 -5.937 823 HG12 ILE 104 HG12 ILE 104 220.415 14.515 -7.240 824 HG13 ILE 104 HG11 ILE 104 221.266 13.020 -6.865 825 HG21 ILE 104 HG21 ILE 104 218.899 15.323 -6.120 826 HG22 ILE 104 HG22 ILE 104 218.355 14.661 -4.578 827 HG23 ILE 104 HG23 ILE 104 217.520 14.224 -6.069 828 HD11 ILE 104 HD11 ILE 104 218.647 12.807 -8.232 829 HD12 ILE 104 HD12 ILE 104 220.095 11.812 -8.387 830 HD13 ILE 104 HD13 ILE 104 220.024 13.395 -9.162 831 H LYS 105 HN LYS 105 222.711 13.301 -5.191 832 HA LYS 105 HA LYS 105 224.290 14.936 -5.265 833 HB2 LYS 105 HB2 LYS 105 221.904 16.291 -5.797 834 HB3 LYS 105 HB1 LYS 105 222.702 17.253 -4.561 835 HG2 LYS 105 HG2 LYS 105 223.611 18.194 -6.414 836 HG3 LYS 105 HG1 LYS 105 224.789 16.909 -6.141 837 HD2 LYS 105 HD2 LYS 105 222.673 15.830 -7.697 838 HD3 LYS 105 HD1 LYS 105 223.145 17.368 -8.422 839 HE2 LYS 105 HE2 LYS 105 224.530 15.784 -9.449 840 HE3 LYS 105 HE1 LYS 105 225.547 16.528 -8.216 841 HZ1 LYS 105 HZ1 LYS 105 225.452 13.954 -8.473 842 HZ2 LYS 105 HZ2 LYS 105 224.046 14.096 -7.543 843 HZ3 LYS 105 HZ3 LYS 105 225.523 14.651 -6.933 844 H SER 106 HN SER 106 222.667 14.038 -2.572 845 HA SER 106 HA SER 106 222.868 14.405 -0.322 846 HB2 SER 106 HB2 SER 106 225.094 14.159 0.474 847 HB3 SER 106 HB1 SER 106 225.040 13.304 -1.067 848 HG SER 106 HG SER 106 226.801 14.999 -0.489 849 H ASP 107 HN ASP 107 222.228 16.796 -1.854 850 HA ASP 107 HA ASP 107 223.678 18.913 -0.461 851 HB2 ASP 107 HB2 ASP 107 221.774 18.860 -2.783 852 HB3 ASP 107 HB1 ASP 107 222.110 20.368 -1.937 853 H LYS 108 HN LYS 108 222.578 20.578 0.692 854 HA LYS 108 HA LYS 108 220.443 19.566 2.340 855 HB2 LYS 108 HB2 LYS 108 222.484 21.526 2.579 856 HB3 LYS 108 HB1 LYS 108 220.945 22.345 2.809 857 HG2 LYS 108 HG2 LYS 108 221.623 21.685 4.948 858 HG3 LYS 108 HG1 LYS 108 220.388 20.516 4.476 859 HD2 LYS 108 HD2 LYS 108 221.825 18.835 4.716 860 HD3 LYS 108 HD1 LYS 108 222.963 19.601 3.606 861 HE2 LYS 108 HE2 LYS 108 224.188 20.532 5.287 862 HE3 LYS 108 HE1 LYS 108 222.799 20.684 6.362 863 HZ1 LYS 108 HZ1 LYS 108 223.850 18.017 5.692 864 HZ2 LYS 108 HZ2 LYS 108 222.995 18.514 7.064 865 HZ3 LYS 108 HZ3 LYS 108 224.619 18.949 6.877 866 H GLU 109 HN GLU 109 220.630 21.328 -0.543 867 HA GLU 109 HA GLU 109 218.613 23.187 -0.452 868 HB2 GLU 109 HB2 GLU 109 218.334 22.840 -2.859 869 HB3 GLU 109 HB1 GLU 109 220.035 22.845 -2.413 870 HG2 GLU 109 HG2 GLU 109 219.962 20.349 -2.420 871 HG3 GLU 109 HG1 GLU 109 218.329 20.460 -3.075 872 H ALA 110 HN ALA 110 216.559 23.069 0.136 873 HA ALA 110 HA ALA 110 215.182 20.668 0.619 874 HB1 ALA 110 HB1 ALA 110 213.458 21.969 1.377 875 HB2 ALA 110 HB2 ALA 110 213.659 23.173 0.104 876 HB3 ALA 110 HB3 ALA 110 214.782 23.130 1.463 877 H GLY 111 HN GLY 111 213.217 19.885 -0.422 878 HA2 GLY 111 HA2 GLY 111 211.918 19.317 -2.233 879 HA3 GLY 111 HA1 GLY 111 212.525 20.745 -3.058 880 H ALA 112 HN ALA 112 214.949 18.678 -1.825 881 HA ALA 112 HA ALA 112 215.852 18.060 -4.473 882 HB1 ALA 112 HB1 ALA 112 217.571 16.685 -3.082 883 HB2 ALA 112 HB2 ALA 112 216.875 17.552 -1.713 884 HB3 ALA 112 HB3 ALA 112 217.617 18.447 -3.039 885 H HIS 113 HN HIS 113 215.615 16.235 -5.601 886 HA HIS 113 HA HIS 113 213.672 14.334 -4.857 887 HB2 HIS 113 HB2 HIS 113 215.737 14.372 -7.057 888 HB3 HIS 113 HB1 HIS 113 214.572 13.065 -6.872 889 HD1 HIS 113 HD1 HIS 113 213.505 13.667 -9.162 890 HD2 HIS 113 HD2 HIS 113 213.292 16.692 -6.320 891 HE1 HIS 113 HE1 HIS 113 211.849 15.327 -10.069 892 HE2 HIS 113 HE2 HIS 113 211.674 17.107 -8.295 893 H ILE 114 HN ILE 114 214.197 11.916 -5.024 894 HA ILE 114 HA ILE 114 216.674 11.252 -3.616 895 HB ILE 114 HB ILE 114 215.135 9.524 -2.381 896 HG12 ILE 114 HG12 ILE 114 213.113 10.410 -3.651 897 HG13 ILE 114 HG11 ILE 114 212.934 10.208 -1.913 898 HG21 ILE 114 HG21 ILE 114 216.149 12.136 -1.737 899 HG22 ILE 114 HG22 ILE 114 216.069 10.685 -0.737 900 HG23 ILE 114 HG23 ILE 114 214.691 11.783 -0.810 901 HD11 ILE 114 HD11 ILE 114 213.627 12.742 -1.881 902 HD12 ILE 114 HD12 ILE 114 211.967 12.247 -2.202 903 HD13 ILE 114 HD13 ILE 114 213.028 12.688 -3.538 904 H CYS 115 HN CYS 115 217.155 8.897 -3.686 905 HA CYS 115 HA CYS 115 215.763 7.322 -5.651 906 HB2 CYS 115 HB2 CYS 115 218.595 8.278 -6.070 907 HB3 CYS 115 HB1 CYS 115 217.904 6.902 -6.922 908 HG CYS 115 HG CYS 115 216.608 9.701 -7.262 909 H ALA 116 HN ALA 116 216.922 5.089 -5.799 910 HA ALA 116 HA ALA 116 217.753 4.413 -3.074 911 HB1 ALA 116 HB1 ALA 116 215.985 3.176 -4.755 912 HB2 ALA 116 HB2 ALA 116 216.750 2.432 -3.351 913 HB3 ALA 116 HB3 ALA 116 217.441 2.206 -4.959 914 H TRP 117 HN TRP 117 219.812 3.989 -2.627 915 HA TRP 117 HA TRP 117 221.581 3.228 -4.840 916 HB2 TRP 117 HB2 TRP 117 221.911 5.602 -4.515 917 HB3 TRP 117 HB1 TRP 117 222.188 5.364 -2.797 918 HD1 TRP 117 HD1 TRP 117 224.631 4.968 -2.062 919 HE1 TRP 117 HE1 TRP 117 226.864 4.615 -3.292 920 HE3 TRP 117 HE3 TRP 117 222.860 4.471 -6.832 921 HZ2 TRP 117 HZ2 TRP 117 227.756 4.183 -5.935 922 HZ3 TRP 117 HZ3 TRP 117 224.469 4.091 -8.654 923 HH2 TRP 117 HH2 TRP 117 226.867 3.951 -8.213 924 H LYS 118 HN LYS 118 223.634 2.381 -4.168 925 HA LYS 118 HA LYS 118 223.362 0.270 -2.330 926 HB2 LYS 118 HB2 LYS 118 224.968 0.504 -4.341 927 HB3 LYS 118 HB1 LYS 118 226.029 1.340 -3.215 928 HG2 LYS 118 HG2 LYS 118 226.848 -0.738 -2.923 929 HG3 LYS 118 HG1 LYS 118 225.516 -0.849 -1.770 930 HD2 LYS 118 HD2 LYS 118 224.442 -2.383 -2.999 931 HD3 LYS 118 HD1 LYS 118 224.725 -1.501 -4.501 932 HE2 LYS 118 HE2 LYS 118 226.452 -2.804 -5.051 933 HE3 LYS 118 HE1 LYS 118 227.157 -2.683 -3.439 934 HZ1 LYS 118 HZ1 LYS 118 226.229 -4.609 -2.796 935 HZ2 LYS 118 HZ2 LYS 118 226.163 -4.933 -4.455 936 HZ3 LYS 118 HZ3 LYS 118 224.793 -4.351 -3.653 937 H GLN 119 HN GLN 119 223.354 0.361 -0.181 938 HA GLN 119 HA GLN 119 224.059 2.645 1.298 939 HB2 GLN 119 HB2 GLN 119 222.478 0.833 2.023 940 HB3 GLN 119 HB1 GLN 119 223.877 -0.186 2.336 941 HG2 GLN 119 HG2 GLN 119 224.611 1.891 3.793 942 HG3 GLN 119 HG1 GLN 119 222.871 2.172 3.824 943 HE21 GLN 119 HE21 GLN 119 225.465 0.121 4.838 944 HE22 GLN 119 HE22 GLN 119 224.550 -0.847 5.939 945 H HIS 120 HN HIS 120 225.948 3.375 2.006 946 HA HIS 120 HA HIS 120 228.176 1.501 2.342 947 HB2 HIS 120 HB2 HIS 120 229.672 3.304 1.306 948 HB3 HIS 120 HB1 HIS 120 228.682 2.353 0.205 949 HD1 HIS 120 HD1 HIS 120 227.712 5.440 2.201 950 HD2 HIS 120 HD2 HIS 120 228.030 4.136 -1.731 951 HE1 HIS 120 HE1 HIS 120 226.802 7.316 0.796 952 HE2 HIS 120 HE2 HIS 120 227.078 6.537 -1.584 953 H GLY 121 HN GLY 121 226.260 3.379 3.960 954 HA2 GLY 121 HA2 GLY 121 226.491 4.328 6.055 955 HA3 GLY 121 HA1 GLY 121 228.218 4.017 5.962 956 H GLY 122 HN GLY 122 225.825 6.061 4.285 957 HA2 GLY 122 HA2 GLY 122 227.763 8.283 4.509 958 HA3 GLY 122 HA1 GLY 122 226.671 8.083 3.148 959 HA PRO 123 HA PRO 123 224.935 10.597 6.985 960 HB2 PRO 123 HB2 PRO 123 225.674 12.910 5.267 961 HB3 PRO 123 HB1 PRO 123 225.735 12.750 7.026 962 HG2 PRO 123 HG2 PRO 123 227.967 12.667 5.573 963 HG3 PRO 123 HG1 PRO 123 227.756 11.615 6.986 964 HD2 PRO 123 HD2 PRO 123 227.564 10.951 4.080 965 HD3 PRO 123 HD1 PRO 123 228.210 9.982 5.420 966 H ASN 124 HN ASN 124 224.876 10.956 3.484 967 HA ASN 124 HA ASN 124 222.255 12.106 3.401 968 HB2 ASN 124 HB2 ASN 124 222.443 11.693 0.944 969 HB3 ASN 124 HB1 ASN 124 223.786 12.614 1.616 970 HD21 ASN 124 HD21 ASN 124 224.063 11.402 -0.789 971 HD22 ASN 124 HD22 ASN 124 225.148 10.064 -0.663 972 H GLN 125 HN GLN 125 223.232 9.036 4.163 973 HA GLN 125 HA GLN 125 220.874 7.787 2.931 974 HB2 GLN 125 HB2 GLN 125 222.900 6.114 4.313 975 HB3 GLN 125 HB1 GLN 125 221.989 5.789 2.847 976 HG2 GLN 125 HG2 GLN 125 223.503 7.638 1.821 977 HG3 GLN 125 HG1 GLN 125 224.544 7.285 3.197 978 HE21 GLN 125 HE21 GLN 125 223.294 6.154 0.188 979 HE22 GLN 125 HE22 GLN 125 224.284 4.744 0.062 980 H LYS 126 HN LYS 126 221.397 9.394 5.609 981 HA LYS 126 HA LYS 126 220.191 7.414 7.418 982 HB2 LYS 126 HB2 LYS 126 221.267 10.070 8.310 983 HB3 LYS 126 HB1 LYS 126 221.079 8.589 9.236 984 HG2 LYS 126 HG2 LYS 126 223.000 8.710 6.948 985 HG3 LYS 126 HG1 LYS 126 223.438 9.355 8.530 986 HD2 LYS 126 HD2 LYS 126 222.256 6.633 8.433 987 HD3 LYS 126 HD1 LYS 126 223.909 6.828 7.848 988 HE2 LYS 126 HE2 LYS 126 223.069 7.961 10.491 989 HE3 LYS 126 HE1 LYS 126 223.520 6.264 10.340 990 HZ1 LYS 126 HZ1 LYS 126 225.566 7.406 9.105 991 HZ2 LYS 126 HZ2 LYS 126 225.553 7.099 10.768 992 HZ3 LYS 126 HZ3 LYS 126 225.181 8.645 10.192 993 H PHE 127 HN PHE 127 218.224 7.737 8.355 994 HA PHE 127 HA PHE 127 216.871 10.301 7.950 995 HB2 PHE 127 HB2 PHE 127 215.437 7.700 7.460 996 HB3 PHE 127 HB1 PHE 127 214.909 9.327 7.055 997 HD1 PHE 127 HD2 PHE 127 217.170 6.584 6.125 998 HD2 PHE 127 HD1 PHE 127 215.596 10.384 5.033 999 HE1 PHE 127 HE2 PHE 127 218.082 6.305 3.858 1000 HE2 PHE 127 HE1 PHE 127 216.504 10.111 2.762 1001 HZ PHE 127 HZ PHE 127 217.748 8.070 2.174 1002 H ILE 128 HN ILE 128 215.076 10.634 9.409 1003 HA ILE 128 HA ILE 128 215.297 8.965 11.824 1004 HB ILE 128 HB ILE 128 214.128 11.682 11.997 1005 HG12 ILE 128 HG12 ILE 128 217.115 11.198 11.868 1006 HG13 ILE 128 HG11 ILE 128 216.169 11.996 10.615 1007 HG21 ILE 128 HG21 ILE 128 214.116 10.828 14.080 1008 HG22 ILE 128 HG22 ILE 128 215.784 11.399 14.101 1009 HG23 ILE 128 HG23 ILE 128 215.436 9.708 13.742 1010 HD11 ILE 128 HD11 ILE 128 215.746 13.228 13.189 1011 HD12 ILE 128 HD12 ILE 128 216.286 13.941 11.669 1012 HD13 ILE 128 HD13 ILE 128 217.455 13.193 12.757 1013 H ILE 129 HN ILE 129 213.512 8.169 12.733 1014 HA ILE 129 HA ILE 129 210.974 8.615 11.318 1015 HB ILE 129 HB ILE 129 211.732 6.168 12.909 1016 HG12 ILE 129 HG12 ILE 129 213.237 6.287 11.030 1017 HG13 ILE 129 HG11 ILE 129 212.009 5.078 10.672 1018 HG21 ILE 129 HG21 ILE 129 209.338 6.596 12.685 1019 HG22 ILE 129 HG22 ILE 129 209.829 5.154 11.796 1020 HG23 ILE 129 HG23 ILE 129 209.516 6.660 10.932 1021 HD11 ILE 129 HD11 ILE 129 212.728 7.427 9.208 1022 HD12 ILE 129 HD12 ILE 129 211.024 7.494 9.659 1023 HD13 ILE 129 HD13 ILE 129 211.643 6.112 8.755 1024 H GLU 130 HN GLU 130 209.141 9.071 12.451 1025 HA GLU 130 HA GLU 130 209.244 9.038 15.377 1026 HB2 GLU 130 HB2 GLU 130 209.818 11.344 14.307 1027 HB3 GLU 130 HB1 GLU 130 208.095 11.426 13.967 1028 HG2 GLU 130 HG2 GLU 130 209.006 10.801 16.732 1029 HG3 GLU 130 HG1 GLU 130 209.077 12.463 16.148 1030 H SER 131 HN SER 131 207.765 7.387 15.494 1031 HA SER 131 HA SER 131 205.497 6.989 13.984 1032 HB2 SER 131 HB2 SER 131 204.604 5.779 16.031 1033 HB3 SER 131 HB1 SER 131 206.198 5.267 15.477 1034 HG SER 131 HG SER 131 207.130 6.362 17.148 1035 H GLU 132 HN GLU 132 203.940 8.403 13.558 1036 HA GLU 132 HA GLU 132 203.245 10.538 15.325 1037 HB2 GLU 132 HB2 GLU 132 202.891 9.978 12.614 1038 HB3 GLU 132 HB1 GLU 132 201.262 9.996 13.274 1039 HG2 GLU 132 HG2 GLU 132 202.596 12.220 14.363 1040 HG3 GLU 132 HG1 GLU 132 202.983 12.184 12.643 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 196.171 -3.885 10.414 2 H2 MET 1 HT2 MET 1 194.875 -5.009 10.373 3 H3 MET 1 HT3 MET 1 195.865 -4.888 11.770 4 HA MET 1 HA MET 1 193.949 -2.923 10.719 5 HB2 MET 1 HB2 MET 1 194.092 -4.862 12.967 6 HB3 MET 1 HB1 MET 1 193.346 -3.307 13.309 7 HG2 MET 1 HG2 MET 1 191.956 -3.772 11.183 8 HG3 MET 1 HG1 MET 1 192.473 -5.442 11.411 9 HE1 MET 1 HE1 MET 1 188.740 -5.154 12.444 10 HE2 MET 1 HE2 MET 1 189.764 -4.696 11.083 11 HE3 MET 1 HE3 MET 1 189.191 -3.466 12.210 12 H LYS 2 HN LYS 2 193.687 -1.057 12.228 13 HA LYS 2 HA LYS 2 194.525 0.810 13.219 14 HB2 LYS 2 HB2 LYS 2 196.340 -1.266 14.443 15 HB3 LYS 2 HB1 LYS 2 196.396 0.432 14.895 16 HG2 LYS 2 HG2 LYS 2 193.720 -0.201 15.111 17 HG3 LYS 2 HG1 LYS 2 194.542 -1.649 15.696 18 HD2 LYS 2 HD2 LYS 2 195.937 0.472 16.845 19 HD3 LYS 2 HD1 LYS 2 194.239 0.940 16.954 20 HE2 LYS 2 HE2 LYS 2 193.691 -0.865 18.286 21 HE3 LYS 2 HE1 LYS 2 195.061 -1.824 17.728 22 HZ1 LYS 2 HZ1 LYS 2 195.138 0.487 19.588 23 HZ2 LYS 2 HZ2 LYS 2 196.517 -0.251 18.945 24 HZ3 LYS 2 HZ3 LYS 2 195.481 -1.130 19.952 25 HA PRO 3 HA PRO 3 197.803 1.190 9.984 26 HB2 PRO 3 HB2 PRO 3 196.852 3.501 8.932 27 HB3 PRO 3 HB1 PRO 3 196.247 1.912 8.450 28 HG2 PRO 3 HG2 PRO 3 195.075 3.879 10.379 29 HG3 PRO 3 HG1 PRO 3 194.262 2.915 9.131 30 HD2 PRO 3 HD2 PRO 3 194.250 2.222 11.751 31 HD3 PRO 3 HD1 PRO 3 194.220 1.021 10.444 32 H LYS 4 HN LYS 4 199.559 1.733 11.179 33 HA LYS 4 HA LYS 4 199.583 4.283 12.612 34 HB2 LYS 4 HB2 LYS 4 201.180 1.771 12.752 35 HB3 LYS 4 HB1 LYS 4 201.968 3.270 13.224 36 HG2 LYS 4 HG2 LYS 4 200.523 3.613 15.014 37 HG3 LYS 4 HG1 LYS 4 199.311 2.505 14.368 38 HD2 LYS 4 HD2 LYS 4 201.424 0.835 14.644 39 HD3 LYS 4 HD1 LYS 4 201.716 1.957 15.975 40 HE2 LYS 4 HE2 LYS 4 199.264 0.284 15.475 41 HE3 LYS 4 HE1 LYS 4 200.395 0.163 16.822 42 HZ1 LYS 4 HZ1 LYS 4 198.448 1.287 17.567 43 HZ2 LYS 4 HZ2 LYS 4 198.499 2.380 16.277 44 HZ3 LYS 4 HZ3 LYS 4 199.690 2.432 17.477 45 H PHE 5 HN PHE 5 200.422 6.030 11.701 46 HA PHE 5 HA PHE 5 202.186 5.712 9.385 47 HB2 PHE 5 HB2 PHE 5 201.697 8.314 9.292 48 HB3 PHE 5 HB1 PHE 5 200.548 7.144 8.657 49 HD1 PHE 5 HD2 PHE 5 198.574 6.494 10.065 50 HD2 PHE 5 HD1 PHE 5 201.124 9.754 11.053 51 HE1 PHE 5 HE2 PHE 5 196.833 7.400 11.547 52 HE2 PHE 5 HE1 PHE 5 199.388 10.666 12.538 53 HZ PHE 5 HZ PHE 5 197.238 9.490 12.786 54 H PHE 6 HN PHE 6 203.782 7.729 9.195 55 HA PHE 6 HA PHE 6 204.845 8.582 11.751 56 HB2 PHE 6 HB2 PHE 6 207.063 7.346 10.361 57 HB3 PHE 6 HB1 PHE 6 206.569 7.194 12.036 58 HD1 PHE 6 HD1 PHE 6 204.969 5.413 12.688 59 HD2 PHE 6 HD2 PHE 6 206.571 5.691 8.756 60 HE1 PHE 6 HE1 PHE 6 204.309 3.083 12.258 61 HE2 PHE 6 HE2 PHE 6 205.912 3.364 8.317 62 HZ PHE 6 HZ PHE 6 204.778 2.055 10.069 63 H TYR 7 HN TYR 7 207.040 9.709 11.392 64 HA TYR 7 HA TYR 7 206.801 11.271 8.920 65 HB2 TYR 7 HB2 TYR 7 207.130 12.040 11.683 66 HB3 TYR 7 HB1 TYR 7 208.468 12.655 10.719 67 HD1 TYR 7 HD2 TYR 7 207.906 14.020 8.637 68 HD2 TYR 7 HD1 TYR 7 205.045 13.109 11.651 69 HE1 TYR 7 HE2 TYR 7 206.491 15.868 7.845 70 HE2 TYR 7 HE1 TYR 7 203.622 14.954 10.866 71 HH TYR 7 HH TYR 7 203.862 17.061 9.619 72 H ILE 8 HN ILE 8 208.369 11.057 7.465 73 HA ILE 8 HA ILE 8 210.907 9.852 8.340 74 HB ILE 8 HB ILE 8 210.710 9.852 5.493 75 HG12 ILE 8 HG12 ILE 8 208.248 9.983 5.875 76 HG13 ILE 8 HG11 ILE 8 208.751 8.482 5.107 77 HG21 ILE 8 HG21 ILE 8 210.438 7.475 7.308 78 HG22 ILE 8 HG22 ILE 8 211.962 8.340 7.106 79 HG23 ILE 8 HG23 ILE 8 211.196 7.566 5.718 80 HD11 ILE 8 HD11 ILE 8 207.713 7.343 6.685 81 HD12 ILE 8 HD12 ILE 8 207.248 8.847 7.479 82 HD13 ILE 8 HD13 ILE 8 208.768 8.060 7.903 83 H LYS 9 HN LYS 9 212.302 11.447 8.740 84 HA LYS 9 HA LYS 9 212.653 13.490 6.653 85 HB2 LYS 9 HB2 LYS 9 212.974 15.169 8.229 86 HB3 LYS 9 HB1 LYS 9 211.660 14.223 8.904 87 HG2 LYS 9 HG2 LYS 9 212.989 14.538 10.723 88 HG3 LYS 9 HG1 LYS 9 213.560 12.974 10.137 89 HD2 LYS 9 HD2 LYS 9 215.570 13.786 9.531 90 HD3 LYS 9 HD1 LYS 9 214.903 15.331 9.001 91 HE2 LYS 9 HE2 LYS 9 215.138 14.575 11.904 92 HE3 LYS 9 HE1 LYS 9 216.439 15.381 11.028 93 HZ1 LYS 9 HZ1 LYS 9 215.367 17.192 11.814 94 HZ2 LYS 9 HZ2 LYS 9 213.862 16.426 11.901 95 HZ3 LYS 9 HZ3 LYS 9 214.441 16.983 10.414 96 H SER 10 HN SER 10 214.696 13.971 5.962 97 HA SER 10 HA SER 10 216.678 12.014 6.249 98 HB2 SER 10 HB2 SER 10 217.282 14.854 5.451 99 HB3 SER 10 HB1 SER 10 218.021 13.365 4.865 100 HG SER 10 HG SER 10 215.839 12.895 4.006 101 H GLU 11 HN GLU 11 218.377 11.788 7.576 102 HA GLU 11 HA GLU 11 218.425 13.345 9.994 103 HB2 GLU 11 HB2 GLU 11 218.826 10.963 10.137 104 HB3 GLU 11 HB1 GLU 11 220.181 11.087 9.025 105 HG2 GLU 11 HG2 GLU 11 221.601 11.691 10.635 106 HG3 GLU 11 HG1 GLU 11 220.443 12.798 11.371 107 H LEU 12 HN LEU 12 219.840 13.667 6.952 108 HA LEU 12 HA LEU 12 222.241 14.991 7.907 109 HB2 LEU 12 HB2 LEU 12 222.442 13.612 5.936 110 HB3 LEU 12 HB1 LEU 12 221.161 14.500 5.134 111 HG LEU 12 HG LEU 12 222.653 16.540 5.242 112 HD11 LEU 12 HD11 LEU 12 224.138 15.720 7.018 113 HD12 LEU 12 HD12 LEU 12 225.028 16.185 5.568 114 HD13 LEU 12 HD13 LEU 12 224.747 14.480 5.921 115 HD21 LEU 12 HD21 LEU 12 222.393 14.667 3.348 116 HD22 LEU 12 HD22 LEU 12 224.121 14.517 3.666 117 HD23 LEU 12 HD23 LEU 12 223.445 16.071 3.176 118 H ASN 13 HN ASN 13 219.514 15.897 5.773 119 HA ASN 13 HA ASN 13 220.091 18.700 6.121 120 HB2 ASN 13 HB2 ASN 13 217.688 17.533 4.733 121 HB3 ASN 13 HB1 ASN 13 218.479 19.072 4.433 122 HD21 ASN 13 HD21 ASN 13 217.845 16.880 2.609 123 HD22 ASN 13 HD22 ASN 13 219.344 16.413 1.889 124 H GLY 14 HN GLY 14 218.090 16.372 7.660 125 HA2 GLY 14 HA2 GLY 14 216.701 16.626 9.489 126 HA3 GLY 14 HA1 GLY 14 217.071 18.344 9.476 127 H LYS 15 HN LYS 15 216.075 17.429 6.429 128 HA LYS 15 HA LYS 15 213.501 18.703 6.775 129 HB2 LYS 15 HB2 LYS 15 214.632 17.541 4.232 130 HB3 LYS 15 HB1 LYS 15 213.430 18.806 4.400 131 HG2 LYS 15 HG2 LYS 15 216.354 19.015 5.069 132 HG3 LYS 15 HG1 LYS 15 215.528 19.754 3.697 133 HD2 LYS 15 HD2 LYS 15 214.277 20.432 6.229 134 HD3 LYS 15 HD1 LYS 15 215.973 20.913 6.174 135 HE2 LYS 15 HE2 LYS 15 215.110 21.707 3.721 136 HE3 LYS 15 HE1 LYS 15 213.660 21.955 4.694 137 HZ1 LYS 15 HZ1 LYS 15 216.260 23.289 4.857 138 HZ2 LYS 15 HZ2 LYS 15 215.393 23.076 6.294 139 HZ3 LYS 15 HZ3 LYS 15 214.703 23.935 5.011 140 H VAL 16 HN VAL 16 211.552 17.653 5.654 141 HA VAL 16 HA VAL 16 211.555 14.790 6.295 142 HB VAL 16 HB VAL 16 209.048 15.068 6.312 143 HG11 VAL 16 HG11 VAL 16 210.936 16.231 8.284 144 HG12 VAL 16 HG12 VAL 16 209.829 14.867 8.441 145 HG13 VAL 16 HG13 VAL 16 209.213 16.517 8.528 146 HG21 VAL 16 HG21 VAL 16 209.673 18.007 6.494 147 HG22 VAL 16 HG22 VAL 16 208.087 17.237 6.447 148 HG23 VAL 16 HG23 VAL 16 209.118 17.222 5.016 149 H LEU 17 HN LEU 17 211.000 13.309 4.783 150 HA LEU 17 HA LEU 17 211.093 14.080 2.038 151 HB2 LEU 17 HB2 LEU 17 210.087 11.426 3.042 152 HB3 LEU 17 HB1 LEU 17 210.902 11.777 1.530 153 HG LEU 17 HG LEU 17 212.151 11.756 4.277 154 HD11 LEU 17 HD11 LEU 17 213.007 9.722 3.795 155 HD12 LEU 17 HD12 LEU 17 213.124 10.056 2.067 156 HD13 LEU 17 HD13 LEU 17 211.570 9.618 2.778 157 HD21 LEU 17 HD21 LEU 17 213.294 13.455 3.154 158 HD22 LEU 17 HD22 LEU 17 213.205 12.617 1.604 159 HD23 LEU 17 HD23 LEU 17 214.278 12.019 2.869 160 H ASP 18 HN ASP 18 209.416 14.370 0.574 161 HA ASP 18 HA ASP 18 206.695 13.804 1.474 162 HB2 ASP 18 HB2 ASP 18 207.419 16.199 2.055 163 HB3 ASP 18 HB1 ASP 18 207.385 16.500 0.320 164 H ILE 19 HN ILE 19 205.156 13.665 -0.190 165 HA ILE 19 HA ILE 19 206.322 13.040 -2.792 166 HB ILE 19 HB ILE 19 203.464 12.627 -1.914 167 HG12 ILE 19 HG12 ILE 19 205.812 10.723 -1.749 168 HG13 ILE 19 HG11 ILE 19 204.964 11.441 -0.384 169 HG21 ILE 19 HG21 ILE 19 205.054 11.249 -4.070 170 HG22 ILE 19 HG22 ILE 19 203.965 12.607 -4.353 171 HG23 ILE 19 HG23 ILE 19 203.330 11.081 -3.738 172 HD11 ILE 19 HD11 ILE 19 203.192 10.009 -2.187 173 HD12 ILE 19 HD12 ILE 19 203.372 9.892 -0.436 174 HD13 ILE 19 HD13 ILE 19 204.455 8.991 -1.497 175 H GLU 20 HN GLU 20 205.987 14.216 -4.592 176 HA GLU 20 HA GLU 20 205.407 16.844 -4.645 177 HB2 GLU 20 HB2 GLU 20 205.132 14.707 -6.705 178 HB3 GLU 20 HB1 GLU 20 204.519 16.311 -7.082 179 HG2 GLU 20 HG2 GLU 20 207.247 16.160 -5.961 180 HG3 GLU 20 HG1 GLU 20 207.019 15.542 -7.596 181 H GLY 21 HN GLY 21 203.726 17.600 -3.443 182 HA2 GLY 21 HA2 GLY 21 201.556 18.031 -2.796 183 HA3 GLY 21 HA1 GLY 21 201.285 18.102 -4.529 184 H GLN 22 HN GLN 22 202.194 15.179 -2.795 185 HA GLN 22 HA GLN 22 201.099 13.224 -2.399 186 HB2 GLN 22 HB2 GLN 22 198.523 14.743 -2.808 187 HB3 GLN 22 HB1 GLN 22 198.747 13.237 -1.930 188 HG2 GLN 22 HG2 GLN 22 199.606 14.270 -0.091 189 HG3 GLN 22 HG1 GLN 22 200.256 15.622 -1.017 190 HE21 GLN 22 HE21 GLN 22 197.953 14.742 1.148 191 HE22 GLN 22 HE22 GLN 22 196.808 16.010 0.889 192 H ASN 23 HN ASN 23 198.999 14.879 -4.760 193 HA ASN 23 HA ASN 23 198.331 14.320 -6.858 194 HB2 ASN 23 HB2 ASN 23 201.035 13.106 -6.672 195 HB3 ASN 23 HB1 ASN 23 200.003 12.549 -7.986 196 HD21 ASN 23 HD21 ASN 23 201.642 13.515 -9.345 197 HD22 ASN 23 HD22 ASN 23 201.575 15.209 -9.679 198 HA PRO 24 HA PRO 24 196.060 10.689 -5.166 199 HB2 PRO 24 HB2 PRO 24 194.215 11.728 -7.263 200 HB3 PRO 24 HB1 PRO 24 193.865 11.216 -5.608 201 HG2 PRO 24 HG2 PRO 24 193.934 13.800 -6.240 202 HG3 PRO 24 HG1 PRO 24 194.585 13.223 -4.694 203 HD2 PRO 24 HD2 PRO 24 196.031 14.079 -7.161 204 HD3 PRO 24 HD1 PRO 24 196.474 14.303 -5.457 205 H ALA 25 HN ALA 25 197.044 11.594 -8.379 206 HA ALA 25 HA ALA 25 196.414 8.942 -9.430 207 HB1 ALA 25 HB1 ALA 25 196.113 11.310 -10.610 208 HB2 ALA 25 HB2 ALA 25 196.463 9.838 -11.516 209 HB3 ALA 25 HB3 ALA 25 197.764 10.962 -11.123 210 HA PRO 26 HA PRO 26 200.549 7.441 -9.054 211 HB2 PRO 26 HB2 PRO 26 200.328 6.050 -11.615 212 HB3 PRO 26 HB1 PRO 26 200.389 5.380 -9.986 213 HG2 PRO 26 HG2 PRO 26 198.152 5.313 -11.504 214 HG3 PRO 26 HG1 PRO 26 198.107 5.426 -9.736 215 HD2 PRO 26 HD2 PRO 26 197.746 7.580 -11.784 216 HD3 PRO 26 HD1 PRO 26 196.859 7.303 -10.270 217 H GLY 27 HN GLY 27 202.645 7.873 -9.731 218 HA2 GLY 27 HA2 GLY 27 204.166 8.368 -11.577 219 HA3 GLY 27 HA1 GLY 27 202.900 9.373 -12.261 220 H SER 28 HN SER 28 202.888 9.865 -8.961 221 HA SER 28 HA SER 28 204.041 12.469 -9.263 222 HB2 SER 28 HB2 SER 28 202.060 11.776 -7.760 223 HB3 SER 28 HB1 SER 28 203.294 11.219 -6.629 224 HG SER 28 HG SER 28 203.874 13.235 -6.239 225 H LYS 29 HN LYS 29 206.006 13.165 -8.724 226 HA LYS 29 HA LYS 29 208.023 11.244 -7.985 227 HB2 LYS 29 HB2 LYS 29 208.398 14.218 -8.284 228 HB3 LYS 29 HB1 LYS 29 209.596 12.949 -8.471 229 HG2 LYS 29 HG2 LYS 29 207.454 12.518 -10.316 230 HG3 LYS 29 HG1 LYS 29 208.054 14.171 -10.466 231 HD2 LYS 29 HD2 LYS 29 210.396 13.042 -10.444 232 HD3 LYS 29 HD1 LYS 29 209.502 11.583 -10.875 233 HE2 LYS 29 HE2 LYS 29 208.568 13.702 -12.518 234 HE3 LYS 29 HE1 LYS 29 210.330 13.727 -12.551 235 HZ1 LYS 29 HZ1 LYS 29 210.014 12.194 -14.148 236 HZ2 LYS 29 HZ2 LYS 29 208.486 11.737 -13.586 237 HZ3 LYS 29 HZ3 LYS 29 209.876 11.127 -12.841 238 H ILE 30 HN ILE 30 209.568 11.664 -6.227 239 HA ILE 30 HA ILE 30 208.258 13.011 -3.945 240 HB ILE 30 HB ILE 30 209.238 11.371 -2.439 241 HG12 ILE 30 HG12 ILE 30 210.167 9.917 -4.924 242 HG13 ILE 30 HG11 ILE 30 211.223 10.844 -3.863 243 HG21 ILE 30 HG21 ILE 30 207.044 11.045 -3.932 244 HG22 ILE 30 HG22 ILE 30 207.571 9.864 -2.732 245 HG23 ILE 30 HG23 ILE 30 207.946 9.616 -4.438 246 HD11 ILE 30 HD11 ILE 30 209.691 8.947 -2.348 247 HD12 ILE 30 HD12 ILE 30 211.439 9.126 -2.490 248 HD13 ILE 30 HD13 ILE 30 210.555 8.150 -3.661 249 H ILE 31 HN ILE 31 209.575 14.097 -2.441 250 HA ILE 31 HA ILE 31 212.426 14.287 -2.877 251 HB ILE 31 HB ILE 31 212.556 16.613 -3.348 252 HG12 ILE 31 HG12 ILE 31 210.376 17.084 -2.007 253 HG13 ILE 31 HG11 ILE 31 210.799 18.137 -3.348 254 HG21 ILE 31 HG21 ILE 31 210.500 15.421 -5.199 255 HG22 ILE 31 HG22 ILE 31 212.234 15.108 -5.265 256 HG23 ILE 31 HG23 ILE 31 211.618 16.732 -5.571 257 HD11 ILE 31 HD11 ILE 31 208.823 15.876 -3.459 258 HD12 ILE 31 HD12 ILE 31 209.220 16.982 -4.775 259 HD13 ILE 31 HD13 ILE 31 208.429 17.589 -3.320 260 H THR 32 HN THR 32 213.215 16.272 -1.408 261 HA THR 32 HA THR 32 211.973 15.753 1.207 262 HB THR 32 HB THR 32 214.024 16.147 2.213 263 HG1 THR 32 HG1 THR 32 214.798 17.567 -0.114 264 HG21 THR 32 HG21 THR 32 215.833 15.132 0.818 265 HG22 THR 32 HG22 THR 32 214.670 15.052 -0.505 266 HG23 THR 32 HG23 THR 32 214.373 14.157 0.985 267 H TRP 33 HN TRP 33 211.466 17.480 2.642 268 HA TRP 33 HA TRP 33 211.740 20.207 1.725 269 HB2 TRP 33 HB2 TRP 33 209.670 19.194 0.586 270 HB3 TRP 33 HB1 TRP 33 208.940 19.193 2.189 271 HD1 TRP 33 HD1 TRP 33 207.381 21.195 2.428 272 HE1 TRP 33 HE1 TRP 33 207.407 23.663 1.696 273 HE3 TRP 33 HE3 TRP 33 211.806 21.236 -0.133 274 HZ2 TRP 33 HZ2 TRP 33 209.082 25.396 0.230 275 HZ3 TRP 33 HZ3 TRP 33 212.548 23.340 -1.171 276 HH2 TRP 33 HH2 TRP 33 211.212 25.377 -0.994 277 H ASP 34 HN ASP 34 210.561 21.726 3.325 278 HA ASP 34 HA ASP 34 211.471 21.066 5.944 279 HB2 ASP 34 HB2 ASP 34 209.666 23.366 5.183 280 HB3 ASP 34 HB1 ASP 34 210.736 23.259 6.578 281 H GLN 35 HN GLN 35 210.350 20.443 7.734 282 HA GLN 35 HA GLN 35 208.061 18.922 7.513 283 HB2 GLN 35 HB2 GLN 35 209.708 19.012 9.441 284 HB3 GLN 35 HB1 GLN 35 208.827 20.422 10.014 285 HG2 GLN 35 HG2 GLN 35 206.805 18.651 9.665 286 HG3 GLN 35 HG1 GLN 35 208.127 17.579 10.126 287 HE21 GLN 35 HE21 GLN 35 206.400 17.390 11.910 288 HE22 GLN 35 HE22 GLN 35 206.648 18.399 13.290 289 H LYS 36 HN LYS 36 206.118 19.530 6.844 290 HA LYS 36 HA LYS 36 205.169 22.237 7.287 291 HB2 LYS 36 HB2 LYS 36 203.675 19.981 5.955 292 HB3 LYS 36 HB1 LYS 36 203.401 21.709 5.776 293 HG2 LYS 36 HG2 LYS 36 206.099 21.042 5.045 294 HG3 LYS 36 HG1 LYS 36 204.947 20.051 4.148 295 HD2 LYS 36 HD2 LYS 36 204.572 23.016 4.396 296 HD3 LYS 36 HD1 LYS 36 205.642 22.335 3.169 297 HE2 LYS 36 HE2 LYS 36 203.089 20.971 3.239 298 HE3 LYS 36 HE1 LYS 36 202.892 22.703 2.973 299 HZ1 LYS 36 HZ1 LYS 36 203.935 22.611 0.977 300 HZ2 LYS 36 HZ2 LYS 36 203.327 21.033 1.001 301 HZ3 LYS 36 HZ3 LYS 36 204.942 21.323 1.414 302 H LYS 37 HN LYS 37 202.830 22.499 7.965 303 HA LYS 37 HA LYS 37 202.097 20.571 10.060 304 HB2 LYS 37 HB2 LYS 37 201.832 23.551 10.427 305 HB3 LYS 37 HB1 LYS 37 201.661 22.291 11.641 306 HG2 LYS 37 HG2 LYS 37 204.110 21.772 11.242 307 HG3 LYS 37 HG1 LYS 37 204.175 23.286 10.337 308 HD2 LYS 37 HD2 LYS 37 204.708 24.151 12.354 309 HD3 LYS 37 HD1 LYS 37 202.959 24.132 12.588 310 HE2 LYS 37 HE2 LYS 37 204.182 21.583 13.246 311 HE3 LYS 37 HE1 LYS 37 204.858 22.907 14.193 312 HZ1 LYS 37 HZ1 LYS 37 201.978 22.223 13.960 313 HZ2 LYS 37 HZ2 LYS 37 202.599 23.531 14.834 314 HZ3 LYS 37 HZ3 LYS 37 202.962 21.949 15.309 315 H GLY 38 HN GLY 38 199.862 20.468 10.568 316 HA2 GLY 38 HA2 GLY 38 197.605 21.326 10.225 317 HA3 GLY 38 HA1 GLY 38 198.103 21.806 8.610 318 HA PRO 39 HA PRO 39 196.029 17.691 8.229 319 HB2 PRO 39 HB2 PRO 39 194.392 18.827 6.144 320 HB3 PRO 39 HB1 PRO 39 193.895 18.231 7.728 321 HG2 PRO 39 HG2 PRO 39 193.807 20.870 6.981 322 HG3 PRO 39 HG1 PRO 39 193.931 20.313 8.659 323 HD2 PRO 39 HD2 PRO 39 196.076 21.325 6.831 324 HD3 PRO 39 HD1 PRO 39 195.835 21.628 8.566 325 H THR 40 HN THR 40 198.162 19.438 6.492 326 HA THR 40 HA THR 40 198.050 17.633 4.171 327 HB THR 40 HB THR 40 199.713 19.563 3.316 328 HG1 THR 40 HG1 THR 40 198.844 21.566 4.039 329 HG21 THR 40 HG21 THR 40 196.735 19.955 3.269 330 HG22 THR 40 HG22 THR 40 197.605 18.832 2.224 331 HG23 THR 40 HG23 THR 40 197.921 20.564 2.115 332 H ALA 41 HN ALA 41 199.379 17.422 6.941 333 HA ALA 41 HA ALA 41 202.196 17.359 6.307 334 HB1 ALA 41 HB1 ALA 41 201.936 16.045 8.699 335 HB2 ALA 41 HB2 ALA 41 200.553 17.139 8.711 336 HB3 ALA 41 HB3 ALA 41 202.182 17.781 8.505 337 H VAL 42 HN VAL 42 199.521 15.205 6.200 338 HA VAL 42 HA VAL 42 200.602 12.679 6.546 339 HB VAL 42 HB VAL 42 198.464 13.728 4.697 340 HG11 VAL 42 HG11 VAL 42 199.717 11.068 4.670 341 HG12 VAL 42 HG12 VAL 42 198.801 11.910 3.420 342 HG13 VAL 42 HG13 VAL 42 197.954 11.077 4.724 343 HG21 VAL 42 HG21 VAL 42 197.547 13.745 6.775 344 HG22 VAL 42 HG22 VAL 42 198.583 12.446 7.367 345 HG23 VAL 42 HG23 VAL 42 197.199 12.072 6.339 346 H ASN 43 HN ASN 43 201.074 14.944 3.934 347 HA ASN 43 HA ASN 43 202.006 13.144 1.984 348 HB2 ASN 43 HB2 ASN 43 202.911 16.007 2.250 349 HB3 ASN 43 HB1 ASN 43 202.765 15.048 0.780 350 HD21 ASN 43 HD21 ASN 43 201.625 17.386 0.639 351 HD22 ASN 43 HD22 ASN 43 199.907 17.294 0.789 352 H GLN 44 HN GLN 44 203.391 14.009 4.925 353 HA GLN 44 HA GLN 44 206.059 13.197 3.982 354 HB2 GLN 44 HB2 GLN 44 205.187 15.190 6.045 355 HB3 GLN 44 HB1 GLN 44 206.732 14.378 6.221 356 HG2 GLN 44 HG2 GLN 44 207.697 15.650 4.676 357 HG3 GLN 44 HG1 GLN 44 206.356 15.438 3.551 358 HE21 GLN 44 HE21 GLN 44 207.691 17.829 3.753 359 HE22 GLN 44 HE22 GLN 44 206.644 19.018 4.445 360 H LEU 45 HN LEU 45 203.443 11.993 5.297 361 HA LEU 45 HA LEU 45 204.874 10.424 7.317 362 HB2 LEU 45 HB2 LEU 45 201.979 11.154 7.147 363 HB3 LEU 45 HB1 LEU 45 202.594 9.989 8.248 364 HG LEU 45 HG LEU 45 204.165 12.272 8.652 365 HD11 LEU 45 HD11 LEU 45 202.035 13.211 7.403 366 HD12 LEU 45 HD12 LEU 45 202.807 14.084 8.721 367 HD13 LEU 45 HD13 LEU 45 201.355 13.126 9.023 368 HD21 LEU 45 HD21 LEU 45 203.457 12.057 10.845 369 HD22 LEU 45 HD22 LEU 45 203.210 10.430 10.209 370 HD23 LEU 45 HD23 LEU 45 201.840 11.528 10.380 371 H TRP 46 HN TRP 46 204.779 8.246 7.274 372 HA TRP 46 HA TRP 46 203.160 6.991 5.182 373 HB2 TRP 46 HB2 TRP 46 206.078 6.482 5.754 374 HB3 TRP 46 HB1 TRP 46 205.083 5.547 4.648 375 HD1 TRP 46 HD1 TRP 46 205.938 9.322 5.070 376 HE1 TRP 46 HE1 TRP 46 206.352 10.298 2.722 377 HE3 TRP 46 HE3 TRP 46 205.073 5.126 2.274 378 HZ2 TRP 46 HZ2 TRP 46 206.312 9.409 0.041 379 HZ3 TRP 46 HZ3 TRP 46 205.275 5.276 -0.172 380 HH2 TRP 46 HH2 TRP 46 205.882 7.373 -1.265 381 H TYR 47 HN TYR 47 203.175 4.554 5.463 382 HA TYR 47 HA TYR 47 203.497 3.745 8.237 383 HB2 TYR 47 HB2 TYR 47 201.247 2.707 8.288 384 HB3 TYR 47 HB1 TYR 47 201.198 4.460 8.186 385 HD1 TYR 47 HD2 TYR 47 200.982 1.411 6.053 386 HD2 TYR 47 HD1 TYR 47 199.866 5.479 6.596 387 HE1 TYR 47 HE2 TYR 47 199.462 1.247 4.126 388 HE2 TYR 47 HE1 TYR 47 198.340 5.325 4.676 389 HH TYR 47 HH TYR 47 197.151 3.677 3.397 390 H THR 48 HN THR 48 203.213 1.301 8.450 391 HA THR 48 HA THR 48 204.317 0.048 6.027 392 HB THR 48 HB THR 48 205.104 -1.708 7.774 393 HG1 THR 48 HG1 THR 48 205.418 -0.779 9.836 394 HG21 THR 48 HG21 THR 48 206.720 -0.351 6.658 395 HG22 THR 48 HG22 THR 48 207.091 -0.363 8.382 396 HG23 THR 48 HG23 THR 48 206.309 1.043 7.658 397 H ASP 49 HN ASP 49 203.409 -1.728 5.153 398 HA ASP 49 HA ASP 49 200.745 -2.394 5.998 399 HB2 ASP 49 HB2 ASP 49 202.513 -3.169 3.719 400 HB3 ASP 49 HB1 ASP 49 201.127 -4.190 4.091 401 H GLN 50 HN GLN 50 200.147 -4.830 5.969 402 HA GLN 50 HA GLN 50 201.297 -6.018 8.246 403 HB2 GLN 50 HB2 GLN 50 199.245 -6.758 6.250 404 HB3 GLN 50 HB1 GLN 50 200.001 -8.099 7.100 405 HG2 GLN 50 HG2 GLN 50 199.237 -7.363 9.182 406 HG3 GLN 50 HG1 GLN 50 198.864 -5.751 8.572 407 HE21 GLN 50 HE21 GLN 50 196.745 -5.584 8.932 408 HE22 GLN 50 HE22 GLN 50 195.545 -6.668 8.325 409 H GLN 51 HN GLN 51 202.176 -6.133 4.923 410 HA GLN 51 HA GLN 51 203.854 -8.498 5.351 411 HB2 GLN 51 HB2 GLN 51 203.094 -7.039 2.817 412 HB3 GLN 51 HB1 GLN 51 204.181 -8.419 2.880 413 HG2 GLN 51 HG2 GLN 51 202.505 -9.905 3.266 414 HG3 GLN 51 HG1 GLN 51 201.497 -8.722 4.099 415 HE21 GLN 51 HE21 GLN 51 199.692 -9.315 2.890 416 HE22 GLN 51 HE22 GLN 51 199.507 -8.855 1.235 417 H GLY 52 HN GLY 52 204.091 -5.221 5.662 418 HA2 GLY 52 HA2 GLY 52 206.157 -4.232 6.344 419 HA3 GLY 52 HA1 GLY 52 207.001 -5.347 5.282 420 H VAL 53 HN VAL 53 204.358 -4.224 3.609 421 HA VAL 53 HA VAL 53 206.017 -2.499 1.998 422 HB VAL 53 HB VAL 53 203.077 -3.090 1.654 423 HG11 VAL 53 HG11 VAL 53 204.374 -1.164 0.431 424 HG12 VAL 53 HG12 VAL 53 203.234 -2.185 -0.446 425 HG13 VAL 53 HG13 VAL 53 204.967 -2.491 -0.568 426 HG21 VAL 53 HG21 VAL 53 205.471 -4.727 1.093 427 HG22 VAL 53 HG22 VAL 53 204.251 -4.657 -0.179 428 HG23 VAL 53 HG23 VAL 53 203.812 -5.219 1.434 429 H ILE 54 HN ILE 54 206.286 -0.436 2.515 430 HA ILE 54 HA ILE 54 204.492 0.924 4.268 431 HB ILE 54 HB ILE 54 205.971 2.954 3.587 432 HG12 ILE 54 HG12 ILE 54 208.142 1.046 3.061 433 HG13 ILE 54 HG11 ILE 54 206.968 1.183 1.755 434 HG21 ILE 54 HG21 ILE 54 207.398 2.496 5.372 435 HG22 ILE 54 HG22 ILE 54 207.361 0.758 5.073 436 HG23 ILE 54 HG23 ILE 54 205.939 1.570 5.726 437 HD11 ILE 54 HD11 ILE 54 209.132 2.802 2.136 438 HD12 ILE 54 HD12 ILE 54 207.814 3.757 2.816 439 HD13 ILE 54 HD13 ILE 54 207.721 3.185 1.150 440 H ARG 55 HN ARG 55 203.224 2.686 3.864 441 HA ARG 55 HA ARG 55 202.862 3.669 1.168 442 HB2 ARG 55 HB2 ARG 55 200.311 2.842 2.440 443 HB3 ARG 55 HB1 ARG 55 200.740 2.932 0.744 444 HG2 ARG 55 HG2 ARG 55 201.949 0.803 2.447 445 HG3 ARG 55 HG1 ARG 55 200.294 0.634 1.866 446 HD2 ARG 55 HD2 ARG 55 202.452 1.378 -0.055 447 HD3 ARG 55 HD1 ARG 55 202.293 -0.301 0.460 448 HE ARG 55 HE ARG 55 200.616 1.089 -1.368 449 HH11 ARG 55 HH11 ARG 55 200.590 -1.378 1.099 450 HH12 ARG 55 HH12 ARG 55 199.201 -2.185 0.454 451 HH21 ARG 55 HH21 ARG 55 198.790 0.029 -2.219 452 HH22 ARG 55 HH22 ARG 55 198.182 -1.390 -1.433 453 H SER 56 HN SER 56 202.291 5.776 1.193 454 HA SER 56 HA SER 56 202.466 7.279 3.502 455 HB2 SER 56 HB2 SER 56 201.269 7.865 0.809 456 HB3 SER 56 HB1 SER 56 201.218 9.066 2.100 457 HG SER 56 HG SER 56 203.355 8.161 0.598 458 H LYS 57 HN LYS 57 201.022 8.419 4.759 459 HA LYS 57 HA LYS 57 198.815 6.987 5.675 460 HB2 LYS 57 HB2 LYS 57 200.255 8.874 6.776 461 HB3 LYS 57 HB1 LYS 57 199.008 9.928 6.124 462 HG2 LYS 57 HG2 LYS 57 197.399 8.216 7.255 463 HG3 LYS 57 HG1 LYS 57 198.821 7.853 8.231 464 HD2 LYS 57 HD2 LYS 57 198.244 9.588 9.516 465 HD3 LYS 57 HD1 LYS 57 198.725 10.627 8.174 466 HE2 LYS 57 HE2 LYS 57 196.426 10.498 7.291 467 HE3 LYS 57 HE1 LYS 57 195.964 9.524 8.686 468 HZ1 LYS 57 HZ1 LYS 57 195.466 11.976 8.815 469 HZ2 LYS 57 HZ2 LYS 57 197.132 12.231 8.962 470 HZ3 LYS 57 HZ3 LYS 57 196.309 11.325 10.130 471 H LEU 58 HN LEU 58 199.077 9.383 3.177 472 HA LEU 58 HA LEU 58 196.473 10.339 3.075 473 HB2 LEU 58 HB2 LEU 58 197.082 11.334 1.141 474 HB3 LEU 58 HB1 LEU 58 198.678 10.868 1.689 475 HG LEU 58 HG LEU 58 197.032 9.274 -0.278 476 HD11 LEU 58 HD11 LEU 58 198.724 10.137 -1.924 477 HD12 LEU 58 HD12 LEU 58 199.198 11.316 -0.702 478 HD13 LEU 58 HD13 LEU 58 197.556 11.324 -1.344 479 HD21 LEU 58 HD21 LEU 58 199.214 8.527 1.274 480 HD22 LEU 58 HD22 LEU 58 199.899 8.900 -0.307 481 HD23 LEU 58 HD23 LEU 58 198.608 7.707 -0.165 482 H ASN 59 HN ASN 59 197.789 7.304 1.933 483 HA ASN 59 HA ASN 59 195.447 5.879 1.987 484 HB2 ASN 59 HB2 ASN 59 195.526 7.630 -0.301 485 HB3 ASN 59 HB1 ASN 59 195.535 5.953 -0.837 486 HD21 ASN 59 HD21 ASN 59 193.443 6.435 -1.720 487 HD22 ASN 59 HD22 ASN 59 192.048 6.382 -0.703 488 H ASP 60 HN ASP 60 195.605 4.058 0.009 489 HA ASP 60 HA ASP 60 198.048 2.694 0.636 490 HB2 ASP 60 HB2 ASP 60 195.789 1.962 -1.239 491 HB3 ASP 60 HB1 ASP 60 197.126 0.897 -0.817 492 H PHE 61 HN PHE 61 199.633 4.091 -0.264 493 HA PHE 61 HA PHE 61 200.028 3.646 -3.125 494 HB2 PHE 61 HB2 PHE 61 199.472 6.221 -1.876 495 HB3 PHE 61 HB1 PHE 61 200.996 6.225 -2.757 496 HD1 PHE 61 HD1 PHE 61 197.472 5.082 -3.197 497 HD2 PHE 61 HD2 PHE 61 200.943 6.779 -4.979 498 HE1 PHE 61 HE1 PHE 61 196.244 5.364 -5.310 499 HE2 PHE 61 HE2 PHE 61 199.722 7.067 -7.095 500 HZ PHE 61 HZ PHE 61 197.369 6.359 -7.262 501 H ALA 62 HN ALA 62 201.905 2.643 -3.297 502 HA ALA 62 HA ALA 62 204.036 3.255 -1.366 503 HB1 ALA 62 HB1 ALA 62 204.050 1.029 -1.168 504 HB2 ALA 62 HB2 ALA 62 204.866 1.020 -2.731 505 HB3 ALA 62 HB3 ALA 62 203.118 0.804 -2.648 506 H ILE 63 HN ILE 63 206.166 3.596 -2.080 507 HA ILE 63 HA ILE 63 206.351 4.987 -4.593 508 HB ILE 63 HB ILE 63 208.859 4.366 -3.158 509 HG12 ILE 63 HG12 ILE 63 207.898 6.562 -1.735 510 HG13 ILE 63 HG11 ILE 63 206.554 5.427 -1.726 511 HG21 ILE 63 HG21 ILE 63 208.866 5.861 -5.033 512 HG22 ILE 63 HG22 ILE 63 209.230 6.778 -3.573 513 HG23 ILE 63 HG23 ILE 63 207.624 6.868 -4.293 514 HD11 ILE 63 HD11 ILE 63 207.789 4.932 0.193 515 HD12 ILE 63 HD12 ILE 63 209.328 5.052 -0.661 516 HD13 ILE 63 HD13 ILE 63 208.253 3.688 -0.967 517 H ASP 64 HN ASP 64 207.846 4.504 -6.289 518 HA ASP 64 HA ASP 64 208.786 1.731 -6.344 519 HB2 ASP 64 HB2 ASP 64 207.935 1.323 -8.513 520 HB3 ASP 64 HB1 ASP 64 206.613 2.024 -7.589 521 H ALA 65 HN ALA 65 210.741 1.428 -7.100 522 HA ALA 65 HA ALA 65 212.229 3.774 -8.063 523 HB1 ALA 65 HB1 ALA 65 213.555 2.942 -6.430 524 HB2 ALA 65 HB2 ALA 65 214.169 1.969 -7.765 525 HB3 ALA 65 HB3 ALA 65 212.983 1.289 -6.652 526 H SER 66 HN SER 66 210.462 2.680 -9.912 527 HA SER 66 HA SER 66 211.793 0.849 -11.658 528 HB2 SER 66 HB2 SER 66 209.438 2.649 -12.261 529 HB3 SER 66 HB1 SER 66 209.928 1.219 -13.169 530 HG SER 66 HG SER 66 209.599 0.082 -11.085 531 H HIS 67 HN HIS 67 211.183 4.341 -11.736 532 HA HIS 67 HA HIS 67 212.885 4.615 -14.087 533 HB2 HIS 67 HB2 HIS 67 211.175 6.603 -12.588 534 HB3 HIS 67 HB1 HIS 67 212.146 6.999 -13.995 535 HD1 HIS 67 HD1 HIS 67 209.199 4.838 -13.020 536 HD2 HIS 67 HD2 HIS 67 210.940 6.510 -16.403 537 HE1 HIS 67 HE1 HIS 67 207.584 4.394 -14.897 538 HE2 HIS 67 HE2 HIS 67 208.629 5.469 -16.921 539 H GLU 68 HN GLU 68 214.384 6.598 -14.043 540 HA GLU 68 HA GLU 68 216.497 6.190 -12.360 541 HB2 GLU 68 HB2 GLU 68 215.747 8.913 -13.420 542 HB3 GLU 68 HB1 GLU 68 217.359 8.315 -13.053 543 HG2 GLU 68 HG2 GLU 68 216.396 6.502 -14.897 544 HG3 GLU 68 HG1 GLU 68 215.779 8.052 -15.467 545 H GLN 69 HN GLN 69 213.883 8.547 -11.915 546 HA GLN 69 HA GLN 69 214.804 9.039 -9.184 547 HB2 GLN 69 HB2 GLN 69 212.505 10.481 -10.445 548 HB3 GLN 69 HB1 GLN 69 213.660 11.051 -9.255 549 HG2 GLN 69 HG2 GLN 69 215.364 11.283 -10.915 550 HG3 GLN 69 HG1 GLN 69 214.342 10.518 -12.131 551 HE21 GLN 69 HE21 GLN 69 212.527 11.657 -12.917 552 HE22 GLN 69 HE22 GLN 69 212.441 13.379 -12.812 553 H ILE 70 HN ILE 70 213.468 8.646 -7.407 554 HA ILE 70 HA ILE 70 211.616 6.509 -7.738 555 HB ILE 70 HB ILE 70 211.673 8.045 -5.180 556 HG12 ILE 70 HG12 ILE 70 214.022 7.974 -5.837 557 HG13 ILE 70 HG11 ILE 70 213.728 6.849 -4.519 558 HG21 ILE 70 HG21 ILE 70 212.046 5.137 -5.257 559 HG22 ILE 70 HG22 ILE 70 210.536 5.702 -5.970 560 HG23 ILE 70 HG23 ILE 70 210.932 6.112 -4.300 561 HD11 ILE 70 HD11 ILE 70 214.620 6.348 -7.249 562 HD12 ILE 70 HD12 ILE 70 213.340 5.267 -6.699 563 HD13 ILE 70 HD13 ILE 70 214.842 5.392 -5.784 564 H GLU 71 HN GLU 71 209.489 6.452 -7.756 565 HA GLU 71 HA GLU 71 207.987 8.971 -7.482 566 HB2 GLU 71 HB2 GLU 71 208.476 7.832 -9.897 567 HB3 GLU 71 HB1 GLU 71 206.971 7.033 -9.467 568 HG2 GLU 71 HG2 GLU 71 205.761 8.985 -9.510 569 HG3 GLU 71 HG1 GLU 71 207.178 9.993 -9.222 570 H THR 72 HN THR 72 205.652 8.637 -7.152 571 HA THR 72 HA THR 72 205.185 6.252 -5.502 572 HB THR 72 HB THR 72 203.255 7.656 -4.590 573 HG1 THR 72 HG1 THR 72 203.109 9.695 -5.160 574 HG21 THR 72 HG21 THR 72 206.120 8.073 -4.098 575 HG22 THR 72 HG22 THR 72 204.819 7.661 -2.982 576 HG23 THR 72 HG23 THR 72 205.044 9.333 -3.497 577 H GLN 73 HN GLN 73 203.485 4.904 -5.891 578 HA GLN 73 HA GLN 73 201.350 5.586 -7.673 579 HB2 GLN 73 HB2 GLN 73 202.426 3.241 -8.888 580 HB3 GLN 73 HB1 GLN 73 202.141 4.813 -9.615 581 HG2 GLN 73 HG2 GLN 73 204.344 5.545 -9.081 582 HG3 GLN 73 HG1 GLN 73 204.641 4.108 -8.103 583 HE21 GLN 73 HE21 GLN 73 204.669 5.471 -11.235 584 HE22 GLN 73 HE22 GLN 73 205.231 4.077 -12.087 585 HA PRO 74 HA PRO 74 199.084 2.500 -5.494 586 HB2 PRO 74 HB2 PRO 74 198.415 1.258 -8.121 587 HB3 PRO 74 HB1 PRO 74 197.341 1.774 -6.815 588 HG2 PRO 74 HG2 PRO 74 197.566 3.223 -9.037 589 HG3 PRO 74 HG1 PRO 74 197.423 4.004 -7.451 590 HD2 PRO 74 HD2 PRO 74 199.827 3.653 -9.184 591 HD3 PRO 74 HD1 PRO 74 199.385 5.008 -8.125 592 H PHE 75 HN PHE 75 199.462 0.490 -4.622 593 HA PHE 75 HA PHE 75 201.872 -0.808 -5.152 594 HB2 PHE 75 HB2 PHE 75 200.593 -0.931 -3.016 595 HB3 PHE 75 HB1 PHE 75 199.433 -1.989 -3.812 596 HD1 PHE 75 HD1 PHE 75 203.039 -1.698 -2.969 597 HD2 PHE 75 HD2 PHE 75 199.774 -4.284 -3.841 598 HE1 PHE 75 HE1 PHE 75 204.433 -3.643 -2.398 599 HE2 PHE 75 HE2 PHE 75 201.162 -6.234 -3.270 600 HZ PHE 75 HZ PHE 75 203.494 -5.915 -2.548 601 H ASP 76 HN ASP 76 202.479 -2.222 -6.641 602 HA ASP 76 HA ASP 76 200.394 -3.686 -8.118 603 HB2 ASP 76 HB2 ASP 76 201.461 -1.988 -9.534 604 HB3 ASP 76 HB1 ASP 76 203.043 -2.669 -9.173 605 HA PRO 77 HA PRO 77 202.449 -7.258 -6.454 606 HB2 PRO 77 HB2 PRO 77 201.241 -9.145 -7.993 607 HB3 PRO 77 HB1 PRO 77 200.447 -8.352 -6.628 608 HG2 PRO 77 HG2 PRO 77 200.229 -7.756 -9.555 609 HG3 PRO 77 HG1 PRO 77 198.947 -7.839 -8.331 610 HD2 PRO 77 HD2 PRO 77 199.968 -5.492 -9.189 611 HD3 PRO 77 HD1 PRO 77 199.410 -5.728 -7.520 612 H ASN 78 HN ASN 78 202.319 -6.748 -9.958 613 HA ASN 78 HA ASN 78 204.496 -8.597 -10.410 614 HB2 ASN 78 HB2 ASN 78 202.690 -6.964 -12.132 615 HB3 ASN 78 HB1 ASN 78 204.230 -7.491 -12.803 616 HD21 ASN 78 HD21 ASN 78 201.847 -9.005 -10.653 617 HD22 ASN 78 HD22 ASN 78 201.637 -10.428 -11.610 618 H ASN 79 HN ASN 79 204.434 -5.538 -9.219 619 HA ASN 79 HA ASN 79 206.873 -4.725 -10.639 620 HB2 ASN 79 HB2 ASN 79 204.874 -3.146 -9.029 621 HB3 ASN 79 HB1 ASN 79 206.421 -2.482 -9.545 622 HD21 ASN 79 HD21 ASN 79 206.010 -1.107 -11.119 623 HD22 ASN 79 HD22 ASN 79 205.022 -1.417 -12.502 624 HA PRO 80 HA PRO 80 208.769 -5.978 -6.711 625 HB2 PRO 80 HB2 PRO 80 211.279 -6.062 -8.142 626 HB3 PRO 80 HB1 PRO 80 210.341 -7.404 -7.485 627 HG2 PRO 80 HG2 PRO 80 210.691 -6.954 -10.162 628 HG3 PRO 80 HG1 PRO 80 209.303 -7.817 -9.476 629 HD2 PRO 80 HD2 PRO 80 209.500 -4.979 -10.408 630 HD3 PRO 80 HD1 PRO 80 208.174 -6.145 -10.608 631 H LYS 81 HN LYS 81 208.557 -3.130 -7.978 632 HA LYS 81 HA LYS 81 210.839 -1.986 -6.532 633 HB2 LYS 81 HB2 LYS 81 209.482 -1.167 -9.082 634 HB3 LYS 81 HB1 LYS 81 210.381 -0.004 -8.130 635 HG2 LYS 81 HG2 LYS 81 211.441 -2.508 -9.409 636 HG3 LYS 81 HG1 LYS 81 211.803 -0.840 -9.858 637 HD2 LYS 81 HD2 LYS 81 212.797 -0.530 -7.584 638 HD3 LYS 81 HD1 LYS 81 212.583 -2.261 -7.315 639 HE2 LYS 81 HE2 LYS 81 214.791 -2.087 -8.037 640 HE3 LYS 81 HE1 LYS 81 213.913 -2.559 -9.491 641 HZ1 LYS 81 HZ1 LYS 81 213.858 -0.194 -10.124 642 HZ2 LYS 81 HZ2 LYS 81 215.433 -0.801 -10.013 643 HZ3 LYS 81 HZ3 LYS 81 214.817 0.178 -8.780 644 H ARG 82 HN ARG 82 207.434 -2.174 -6.854 645 HA ARG 82 HA ARG 82 206.884 0.309 -5.468 646 HB2 ARG 82 HB2 ARG 82 205.251 -1.815 -6.775 647 HB3 ARG 82 HB1 ARG 82 204.486 -0.773 -5.583 648 HG2 ARG 82 HG2 ARG 82 205.111 1.187 -6.870 649 HG3 ARG 82 HG1 ARG 82 205.914 0.162 -8.061 650 HD2 ARG 82 HD2 ARG 82 203.365 -0.909 -7.832 651 HD3 ARG 82 HD1 ARG 82 203.113 0.834 -7.768 652 HE ARG 82 HE ARG 82 204.851 -0.024 -9.895 653 HH11 ARG 82 HH11 ARG 82 201.543 0.563 -8.950 654 HH12 ARG 82 HH12 ARG 82 200.992 0.809 -10.573 655 HH21 ARG 82 HH21 ARG 82 204.128 0.300 -12.030 656 HH22 ARG 82 HH22 ARG 82 202.458 0.658 -12.322 657 H ALA 83 HN ALA 83 208.270 -2.125 -4.199 658 HA ALA 83 HA ALA 83 206.541 -2.195 -1.814 659 HB1 ALA 83 HB1 ALA 83 206.388 -4.405 -1.884 660 HB2 ALA 83 HB2 ALA 83 208.144 -4.553 -1.907 661 HB3 ALA 83 HB3 ALA 83 207.252 -4.400 -3.421 662 H TRP 84 HN TRP 84 207.623 -0.743 -0.594 663 HA TRP 84 HA TRP 84 210.510 -1.163 -0.237 664 HB2 TRP 84 HB2 TRP 84 208.796 1.275 0.247 665 HB3 TRP 84 HB1 TRP 84 210.515 1.174 0.625 666 HD1 TRP 84 HD1 TRP 84 208.183 0.926 -2.462 667 HE1 TRP 84 HE1 TRP 84 209.514 1.704 -4.523 668 HE3 TRP 84 HE3 TRP 84 212.724 1.648 -0.252 669 HZ2 TRP 84 HZ2 TRP 84 212.141 2.535 -5.117 670 HZ3 TRP 84 HZ3 TRP 84 214.593 2.436 -1.631 671 HH2 TRP 84 HH2 TRP 84 214.309 2.869 -4.017 672 H ILE 85 HN ILE 85 211.379 -1.593 1.687 673 HA ILE 85 HA ILE 85 209.539 -1.815 3.988 674 HB ILE 85 HB ILE 85 211.059 -3.563 4.862 675 HG12 ILE 85 HG12 ILE 85 212.355 -4.289 2.409 676 HG13 ILE 85 HG11 ILE 85 212.755 -2.618 2.790 677 HG21 ILE 85 HG21 ILE 85 209.463 -3.814 2.404 678 HG22 ILE 85 HG22 ILE 85 209.336 -4.678 3.937 679 HG23 ILE 85 HG23 ILE 85 210.548 -5.161 2.749 680 HD11 ILE 85 HD11 ILE 85 213.412 -5.111 4.259 681 HD12 ILE 85 HD12 ILE 85 213.217 -3.615 5.172 682 HD13 ILE 85 HD13 ILE 85 214.422 -3.713 3.888 683 H VAL 86 HN VAL 86 210.433 -1.314 6.099 684 HA VAL 86 HA VAL 86 212.554 0.699 5.903 685 HB VAL 86 HB VAL 86 210.822 0.255 8.317 686 HG11 VAL 86 HG11 VAL 86 212.346 1.761 9.017 687 HG12 VAL 86 HG12 VAL 86 211.296 2.901 8.174 688 HG13 VAL 86 HG13 VAL 86 212.743 2.281 7.379 689 HG21 VAL 86 HG21 VAL 86 209.696 2.410 7.064 690 HG22 VAL 86 HG22 VAL 86 209.038 0.773 7.059 691 HG23 VAL 86 HG23 VAL 86 210.032 1.328 5.712 692 H SER 87 HN SER 87 214.502 0.281 6.648 693 HA SER 87 HA SER 87 214.843 -1.933 8.563 694 HB2 SER 87 HB2 SER 87 215.803 -2.366 6.297 695 HB3 SER 87 HB1 SER 87 216.856 -0.968 6.516 696 HG SER 87 HG SER 87 217.772 -2.027 8.312 697 H GLY 88 HN GLY 88 214.804 -0.736 10.446 698 HA2 GLY 88 HA2 GLY 88 215.767 0.471 12.148 699 HA3 GLY 88 HA1 GLY 88 217.218 0.586 11.163 700 H ASN 89 HN ASN 89 217.660 2.428 10.100 701 HA ASN 89 HA ASN 89 215.677 4.597 10.305 702 HB2 ASN 89 HB2 ASN 89 217.513 6.142 10.654 703 HB3 ASN 89 HB1 ASN 89 217.623 4.845 11.838 704 HD21 ASN 89 HD21 ASN 89 218.824 5.774 8.624 705 HD22 ASN 89 HD22 ASN 89 220.389 5.074 8.820 706 H THR 90 HN THR 90 216.116 2.727 8.068 707 HA THR 90 HA THR 90 216.584 4.745 6.029 708 HB THR 90 HB THR 90 217.949 2.743 4.885 709 HG1 THR 90 HG1 THR 90 219.235 1.741 6.409 710 HG21 THR 90 HG21 THR 90 219.736 4.083 4.993 711 HG22 THR 90 HG22 THR 90 219.648 4.226 6.749 712 HG23 THR 90 HG23 THR 90 218.606 5.219 5.730 713 H ILE 91 HN ILE 91 215.664 4.346 4.063 714 HA ILE 91 HA ILE 91 213.577 2.288 4.044 715 HB ILE 91 HB ILE 91 213.988 4.412 1.939 716 HG12 ILE 91 HG12 ILE 91 213.863 5.610 4.036 717 HG13 ILE 91 HG11 ILE 91 212.319 5.774 3.206 718 HG21 ILE 91 HG21 ILE 91 211.369 4.079 2.031 719 HG22 ILE 91 HG22 ILE 91 211.828 2.517 2.709 720 HG23 ILE 91 HG23 ILE 91 212.404 2.988 1.111 721 HD11 ILE 91 HD11 ILE 91 212.809 4.865 5.823 722 HD12 ILE 91 HD12 ILE 91 212.211 3.488 4.898 723 HD13 ILE 91 HD13 ILE 91 211.267 4.976 4.975 724 H ALA 92 HN ALA 92 213.948 0.419 3.035 725 HA ALA 92 HA ALA 92 215.896 0.415 0.821 726 HB1 ALA 92 HB1 ALA 92 216.874 -1.560 1.569 727 HB2 ALA 92 HB2 ALA 92 215.516 -1.949 2.623 728 HB3 ALA 92 HB3 ALA 92 216.615 -0.638 3.050 729 H GLN 93 HN GLN 93 215.547 -0.921 -0.903 730 HA GLN 93 HA GLN 93 212.868 -1.433 -1.639 731 HB2 GLN 93 HB2 GLN 93 215.097 -1.028 -3.017 732 HB3 GLN 93 HB1 GLN 93 215.136 -2.783 -3.021 733 HG2 GLN 93 HG2 GLN 93 213.869 -2.662 -4.832 734 HG3 GLN 93 HG1 GLN 93 212.550 -2.237 -3.741 735 HE21 GLN 93 HE21 GLN 93 215.371 -0.331 -4.684 736 HE22 GLN 93 HE22 GLN 93 214.480 0.958 -5.406 737 H LEU 94 HN LEU 94 211.801 -3.369 -2.004 738 HA LEU 94 HA LEU 94 212.135 -5.380 -0.088 739 HB2 LEU 94 HB2 LEU 94 210.337 -6.528 -1.123 740 HB3 LEU 94 HB1 LEU 94 209.997 -4.819 -1.243 741 HG LEU 94 HG LEU 94 211.113 -6.459 -3.520 742 HD11 LEU 94 HD11 LEU 94 208.451 -6.383 -2.455 743 HD12 LEU 94 HD12 LEU 94 209.108 -7.343 -3.779 744 HD13 LEU 94 HD13 LEU 94 208.486 -5.723 -4.090 745 HD21 LEU 94 HD21 LEU 94 211.530 -4.381 -4.298 746 HD22 LEU 94 HD22 LEU 94 210.431 -3.624 -3.154 747 HD23 LEU 94 HD23 LEU 94 209.798 -4.358 -4.620 748 H SER 95 HN SER 95 212.708 -5.616 -3.617 749 HA SER 95 HA SER 95 213.989 -8.161 -3.323 750 HB2 SER 95 HB2 SER 95 213.610 -6.324 -5.686 751 HB3 SER 95 HB1 SER 95 214.434 -7.879 -5.796 752 HG SER 95 HG SER 95 212.085 -7.814 -6.263 753 H ASP 96 HN ASP 96 215.125 -5.101 -2.723 754 HA ASP 96 HA ASP 96 217.876 -6.015 -3.139 755 HB2 ASP 96 HB2 ASP 96 216.749 -3.338 -3.964 756 HB3 ASP 96 HB1 ASP 96 218.474 -3.644 -3.790 757 H ARG 97 HN ARG 97 217.914 -6.469 -0.898 758 HA ARG 97 HA ARG 97 217.311 -4.536 1.084 759 HB2 ARG 97 HB2 ARG 97 218.739 -7.159 1.025 760 HB3 ARG 97 HB1 ARG 97 218.959 -6.121 2.427 761 HG2 ARG 97 HG2 ARG 97 217.198 -7.456 3.072 762 HG3 ARG 97 HG1 ARG 97 216.371 -6.025 2.454 763 HD2 ARG 97 HD2 ARG 97 215.175 -7.628 1.367 764 HD3 ARG 97 HD1 ARG 97 216.472 -7.405 0.193 765 HE ARG 97 HE ARG 97 217.017 -9.437 2.153 766 HH11 ARG 97 HH11 ARG 97 215.521 -8.757 -0.926 767 HH12 ARG 97 HH12 ARG 97 215.626 -10.394 -1.480 768 HH21 ARG 97 HH21 ARG 97 217.157 -11.592 1.426 769 HH22 ARG 97 HH22 ARG 97 216.555 -12.005 -0.145 770 H ASP 98 HN ASP 98 219.927 -4.952 -1.060 771 HA ASP 98 HA ASP 98 221.793 -3.420 0.580 772 HB2 ASP 98 HB2 ASP 98 222.099 -4.654 -2.167 773 HB3 ASP 98 HB1 ASP 98 223.375 -3.803 -1.302 774 H ILE 99 HN ILE 99 219.205 -2.563 -1.000 775 HA ILE 99 HA ILE 99 220.391 -0.122 -2.136 776 HB ILE 99 HB ILE 99 218.105 -1.801 -3.145 777 HG12 ILE 99 HG12 ILE 99 220.438 -2.148 -3.989 778 HG13 ILE 99 HG11 ILE 99 219.281 -1.705 -5.241 779 HG21 ILE 99 HG21 ILE 99 217.121 0.350 -3.076 780 HG22 ILE 99 HG22 ILE 99 217.634 0.088 -4.743 781 HG23 ILE 99 HG23 ILE 99 218.590 1.119 -3.677 782 HD11 ILE 99 HD11 ILE 99 220.094 0.649 -5.033 783 HD12 ILE 99 HD12 ILE 99 221.284 -0.502 -5.643 784 HD13 ILE 99 HD13 ILE 99 221.364 0.046 -3.969 785 H VAL 100 HN VAL 100 219.714 1.710 -1.187 786 HA VAL 100 HA VAL 100 217.096 1.787 0.092 787 HB VAL 100 HB VAL 100 217.927 2.674 2.180 788 HG11 VAL 100 HG11 VAL 100 218.053 0.042 1.409 789 HG12 VAL 100 HG12 VAL 100 218.147 0.636 3.063 790 HG13 VAL 100 HG13 VAL 100 219.624 0.310 2.157 791 HG21 VAL 100 HG21 VAL 100 220.505 2.636 0.746 792 HG22 VAL 100 HG22 VAL 100 220.554 2.191 2.452 793 HG23 VAL 100 HG23 VAL 100 219.901 3.756 1.968 794 H LEU 101 HN LEU 101 216.119 3.716 -0.061 795 HA LEU 101 HA LEU 101 216.917 5.663 -1.800 796 HB2 LEU 101 HB2 LEU 101 215.284 6.195 0.666 797 HB3 LEU 101 HB1 LEU 101 215.286 7.133 -0.803 798 HG LEU 101 HG LEU 101 214.491 4.265 -0.882 799 HD11 LEU 101 HD11 LEU 101 212.341 6.260 -0.614 800 HD12 LEU 101 HD12 LEU 101 213.235 5.879 0.858 801 HD13 LEU 101 HD13 LEU 101 212.423 4.595 -0.039 802 HD21 LEU 101 HD21 LEU 101 212.916 5.541 -2.625 803 HD22 LEU 101 HD22 LEU 101 214.524 4.946 -3.036 804 HD23 LEU 101 HD23 LEU 101 214.293 6.643 -2.616 805 H ASP 102 HN ASP 102 217.621 7.754 -1.632 806 HA ASP 102 HA ASP 102 219.074 8.595 0.728 807 HB2 ASP 102 HB2 ASP 102 220.608 7.064 -0.391 808 HB3 ASP 102 HB1 ASP 102 220.407 7.944 -1.897 809 H ILE 103 HN ILE 103 220.143 10.756 0.304 810 HA ILE 103 HA ILE 103 218.322 12.393 -1.286 811 HB ILE 103 HB ILE 103 220.452 13.232 0.685 812 HG12 ILE 103 HG12 ILE 103 218.001 14.003 1.680 813 HG13 ILE 103 HG11 ILE 103 217.638 12.443 0.947 814 HG21 ILE 103 HG21 ILE 103 218.659 15.318 0.371 815 HG22 ILE 103 HG22 ILE 103 218.912 14.725 -1.271 816 HG23 ILE 103 HG23 ILE 103 220.290 15.230 -0.294 817 HD11 ILE 103 HD11 ILE 103 218.198 12.181 3.278 818 HD12 ILE 103 HD12 ILE 103 219.745 12.988 3.022 819 HD13 ILE 103 HD13 ILE 103 219.429 11.426 2.268 820 H ILE 104 HN ILE 104 218.858 13.155 -3.244 821 HA ILE 104 HA ILE 104 221.373 12.551 -4.407 822 HB ILE 104 HB ILE 104 219.303 12.733 -5.725 823 HG12 ILE 104 HG12 ILE 104 220.497 14.626 -7.344 824 HG13 ILE 104 HG11 ILE 104 221.840 14.037 -6.371 825 HG21 ILE 104 HG21 ILE 104 218.066 14.622 -5.966 826 HG22 ILE 104 HG22 ILE 104 219.458 15.689 -5.786 827 HG23 ILE 104 HG23 ILE 104 218.728 14.946 -4.364 828 HD11 ILE 104 HD11 ILE 104 221.638 12.797 -8.445 829 HD12 ILE 104 HD12 ILE 104 219.986 12.342 -8.026 830 HD13 ILE 104 HD13 ILE 104 221.336 11.754 -7.056 831 H LYS 105 HN LYS 105 223.128 13.781 -4.814 832 HA LYS 105 HA LYS 105 224.568 15.556 -4.818 833 HB2 LYS 105 HB2 LYS 105 222.109 16.829 -4.987 834 HB3 LYS 105 HB1 LYS 105 222.877 17.590 -3.600 835 HG2 LYS 105 HG2 LYS 105 224.798 18.182 -4.945 836 HG3 LYS 105 HG1 LYS 105 224.110 17.340 -6.336 837 HD2 LYS 105 HD2 LYS 105 222.141 19.139 -5.406 838 HD3 LYS 105 HD1 LYS 105 223.666 20.026 -5.451 839 HE2 LYS 105 HE2 LYS 105 223.196 20.330 -7.620 840 HE3 LYS 105 HE1 LYS 105 223.745 18.666 -7.812 841 HZ1 LYS 105 HZ1 LYS 105 221.661 17.925 -8.152 842 HZ2 LYS 105 HZ2 LYS 105 221.369 19.523 -8.621 843 HZ3 LYS 105 HZ3 LYS 105 220.959 19.012 -7.062 844 H SER 106 HN SER 106 222.947 14.357 -2.120 845 HA SER 106 HA SER 106 223.337 14.380 0.128 846 HB2 SER 106 HB2 SER 106 226.208 14.744 -0.755 847 HB3 SER 106 HB1 SER 106 225.646 14.018 0.750 848 HG SER 106 HG SER 106 225.289 13.016 -1.880 849 H ASP 107 HN ASP 107 222.686 16.948 -0.965 850 HA ASP 107 HA ASP 107 224.309 18.756 0.691 851 HB2 ASP 107 HB2 ASP 107 223.942 19.158 -1.836 852 HB3 ASP 107 HB1 ASP 107 222.317 19.655 -1.374 853 H LYS 108 HN LYS 108 223.072 20.608 1.659 854 HA LYS 108 HA LYS 108 220.907 19.544 3.237 855 HB2 LYS 108 HB2 LYS 108 222.846 21.612 3.504 856 HB3 LYS 108 HB1 LYS 108 221.257 22.343 3.673 857 HG2 LYS 108 HG2 LYS 108 221.067 21.562 5.734 858 HG3 LYS 108 HG1 LYS 108 221.349 19.911 5.176 859 HD2 LYS 108 HD2 LYS 108 223.755 21.587 5.295 860 HD3 LYS 108 HD1 LYS 108 222.990 21.293 6.857 861 HE2 LYS 108 HE2 LYS 108 224.403 19.487 6.710 862 HE3 LYS 108 HE1 LYS 108 222.923 18.816 6.026 863 HZ1 LYS 108 HZ1 LYS 108 224.958 20.058 4.287 864 HZ2 LYS 108 HZ2 LYS 108 223.768 18.924 3.887 865 HZ3 LYS 108 HZ3 LYS 108 225.118 18.449 4.788 866 H GLU 109 HN GLU 109 221.166 21.246 0.322 867 HA GLU 109 HA GLU 109 219.052 23.007 0.287 868 HB2 GLU 109 HB2 GLU 109 218.979 22.714 -2.111 869 HB3 GLU 109 HB1 GLU 109 220.652 22.669 -1.573 870 HG2 GLU 109 HG2 GLU 109 220.391 20.126 -1.576 871 HG3 GLU 109 HG1 GLU 109 218.925 20.409 -2.512 872 H ALA 110 HN ALA 110 216.877 22.891 0.170 873 HA ALA 110 HA ALA 110 215.655 20.292 0.621 874 HB1 ALA 110 HB1 ALA 110 215.162 22.745 1.685 875 HB2 ALA 110 HB2 ALA 110 214.030 21.392 1.710 876 HB3 ALA 110 HB3 ALA 110 213.895 22.632 0.463 877 H GLY 111 HN GLY 111 213.625 19.724 -0.523 878 HA2 GLY 111 HA2 GLY 111 212.351 19.440 -2.417 879 HA3 GLY 111 HA1 GLY 111 213.043 20.926 -3.053 880 H ALA 112 HN ALA 112 215.323 18.597 -2.015 881 HA ALA 112 HA ALA 112 216.195 18.213 -4.741 882 HB1 ALA 112 HB1 ALA 112 217.889 16.685 -3.343 883 HB2 ALA 112 HB2 ALA 112 217.324 17.744 -2.051 884 HB3 ALA 112 HB3 ALA 112 218.070 18.433 -3.493 885 H HIS 113 HN HIS 113 216.089 16.390 -5.923 886 HA HIS 113 HA HIS 113 214.093 14.495 -5.389 887 HB2 HIS 113 HB2 HIS 113 216.220 14.827 -7.433 888 HB3 HIS 113 HB1 HIS 113 215.546 13.212 -7.250 889 HD1 HIS 113 HD1 HIS 113 215.144 15.820 -9.423 890 HD2 HIS 113 HD2 HIS 113 212.418 13.767 -7.054 891 HE1 HIS 113 HE1 HIS 113 212.902 16.198 -10.498 892 HE2 HIS 113 HE2 HIS 113 211.281 14.871 -9.097 893 H ILE 114 HN ILE 114 214.511 12.089 -5.400 894 HA ILE 114 HA ILE 114 216.885 11.345 -3.870 895 HB ILE 114 HB ILE 114 215.177 9.788 -2.600 896 HG12 ILE 114 HG12 ILE 114 213.513 12.072 -3.594 897 HG13 ILE 114 HG11 ILE 114 213.100 10.366 -3.466 898 HG21 ILE 114 HG21 ILE 114 215.119 12.491 -1.463 899 HG22 ILE 114 HG22 ILE 114 216.713 11.918 -1.947 900 HG23 ILE 114 HG23 ILE 114 215.758 10.989 -0.792 901 HD11 ILE 114 HD11 ILE 114 211.862 11.167 -1.754 902 HD12 ILE 114 HD12 ILE 114 212.956 12.516 -1.446 903 HD13 ILE 114 HD13 ILE 114 213.372 10.898 -0.883 904 H CYS 115 HN CYS 115 217.231 8.967 -3.821 905 HA CYS 115 HA CYS 115 215.767 7.368 -5.693 906 HB2 CYS 115 HB2 CYS 115 217.749 6.838 -7.073 907 HB3 CYS 115 HB1 CYS 115 217.265 8.524 -7.226 908 HG CYS 115 HG CYS 115 219.969 7.672 -6.516 909 H ALA 116 HN ALA 116 216.889 5.106 -5.799 910 HA ALA 116 HA ALA 116 217.715 4.476 -3.063 911 HB1 ALA 116 HB1 ALA 116 217.355 2.241 -4.909 912 HB2 ALA 116 HB2 ALA 116 215.921 3.244 -4.716 913 HB3 ALA 116 HB3 ALA 116 216.676 2.506 -3.303 914 H TRP 117 HN TRP 117 219.768 4.012 -2.606 915 HA TRP 117 HA TRP 117 221.523 3.205 -4.821 916 HB2 TRP 117 HB2 TRP 117 221.902 5.572 -4.430 917 HB3 TRP 117 HB1 TRP 117 222.211 5.269 -2.727 918 HD1 TRP 117 HD1 TRP 117 224.628 4.491 -2.059 919 HE1 TRP 117 HE1 TRP 117 226.830 4.228 -3.365 920 HE3 TRP 117 HE3 TRP 117 222.803 4.892 -6.818 921 HZ2 TRP 117 HZ2 TRP 117 227.681 4.197 -6.057 922 HZ3 TRP 117 HZ3 TRP 117 224.377 4.737 -8.702 923 HH2 TRP 117 HH2 TRP 117 226.766 4.397 -8.328 924 H LYS 118 HN LYS 118 223.557 2.293 -4.151 925 HA LYS 118 HA LYS 118 223.210 0.160 -2.341 926 HB2 LYS 118 HB2 LYS 118 224.763 0.165 -4.305 927 HB3 LYS 118 HB1 LYS 118 225.829 1.231 -3.401 928 HG2 LYS 118 HG2 LYS 118 226.833 -0.649 -2.745 929 HG3 LYS 118 HG1 LYS 118 225.468 -0.817 -1.639 930 HD2 LYS 118 HD2 LYS 118 225.636 -2.890 -2.745 931 HD3 LYS 118 HD1 LYS 118 224.290 -2.054 -3.521 932 HE2 LYS 118 HE2 LYS 118 225.293 -2.320 -5.484 933 HE3 LYS 118 HE1 LYS 118 226.623 -1.312 -4.918 934 HZ1 LYS 118 HZ1 LYS 118 226.399 -4.260 -4.827 935 HZ2 LYS 118 HZ2 LYS 118 227.526 -3.421 -3.886 936 HZ3 LYS 118 HZ3 LYS 118 227.592 -3.321 -5.573 937 H GLN 119 HN GLN 119 223.303 0.159 -0.190 938 HA GLN 119 HA GLN 119 223.949 2.397 1.347 939 HB2 GLN 119 HB2 GLN 119 222.529 0.512 2.109 940 HB3 GLN 119 HB1 GLN 119 223.966 -0.495 2.226 941 HG2 GLN 119 HG2 GLN 119 224.862 0.869 3.972 942 HG3 GLN 119 HG1 GLN 119 223.575 2.057 3.768 943 HE21 GLN 119 HE21 GLN 119 221.653 1.748 4.758 944 HE22 GLN 119 HE22 GLN 119 221.298 0.412 5.794 945 H HIS 120 HN HIS 120 225.812 3.262 1.937 946 HA HIS 120 HA HIS 120 228.189 1.551 2.091 947 HB2 HIS 120 HB2 HIS 120 229.397 3.753 1.234 948 HB3 HIS 120 HB1 HIS 120 228.765 2.549 0.120 949 HD1 HIS 120 HD1 HIS 120 226.491 5.011 1.816 950 HD2 HIS 120 HD2 HIS 120 228.262 4.396 -1.888 951 HE1 HIS 120 HE1 HIS 120 225.386 6.651 0.268 952 HE2 HIS 120 HE2 HIS 120 226.533 6.318 -1.951 953 H GLY 121 HN GLY 121 226.193 3.280 3.883 954 HA2 GLY 121 HA2 GLY 121 226.479 3.967 6.083 955 HA3 GLY 121 HA1 GLY 121 228.216 3.822 5.874 956 H GLY 122 HN GLY 122 226.939 5.644 3.369 957 HA2 GLY 122 HA2 GLY 122 228.225 8.013 4.213 958 HA3 GLY 122 HA1 GLY 122 227.138 7.869 2.840 959 HA PRO 123 HA PRO 123 225.268 9.943 6.875 960 HB2 PRO 123 HB2 PRO 123 226.075 12.475 5.549 961 HB3 PRO 123 HB1 PRO 123 226.081 12.050 7.264 962 HG2 PRO 123 HG2 PRO 123 228.356 12.182 5.881 963 HG3 PRO 123 HG1 PRO 123 228.106 10.933 7.117 964 HD2 PRO 123 HD2 PRO 123 227.984 10.707 4.138 965 HD3 PRO 123 HD1 PRO 123 228.620 9.558 5.334 966 H ASN 124 HN ASN 124 225.301 10.550 3.427 967 HA ASN 124 HA ASN 124 222.841 11.964 3.305 968 HB2 ASN 124 HB2 ASN 124 222.953 11.440 0.866 969 HB3 ASN 124 HB1 ASN 124 224.420 12.180 1.500 970 HD21 ASN 124 HD21 ASN 124 224.615 10.923 -0.833 971 HD22 ASN 124 HD22 ASN 124 225.451 9.420 -0.670 972 H GLN 125 HN GLN 125 223.471 8.736 4.001 973 HA GLN 125 HA GLN 125 220.863 7.872 2.953 974 HB2 GLN 125 HB2 GLN 125 223.364 6.378 3.688 975 HB3 GLN 125 HB1 GLN 125 221.814 5.551 3.611 976 HG2 GLN 125 HG2 GLN 125 221.642 6.574 1.251 977 HG3 GLN 125 HG1 GLN 125 223.380 6.829 1.410 978 HE21 GLN 125 HE21 GLN 125 223.637 5.389 -0.367 979 HE22 GLN 125 HE22 GLN 125 223.563 3.680 -0.128 980 H LYS 126 HN LYS 126 221.621 9.409 5.511 981 HA LYS 126 HA LYS 126 220.514 7.543 7.487 982 HB2 LYS 126 HB2 LYS 126 221.663 10.257 8.091 983 HB3 LYS 126 HB1 LYS 126 221.458 8.893 9.180 984 HG2 LYS 126 HG2 LYS 126 223.348 8.888 6.841 985 HG3 LYS 126 HG1 LYS 126 223.810 9.356 8.479 986 HD2 LYS 126 HD2 LYS 126 222.808 7.058 9.148 987 HD3 LYS 126 HD1 LYS 126 222.991 6.670 7.436 988 HE2 LYS 126 HE2 LYS 126 225.086 6.085 7.924 989 HE3 LYS 126 HE1 LYS 126 225.417 7.807 8.109 990 HZ1 LYS 126 HZ1 LYS 126 226.122 6.461 10.030 991 HZ2 LYS 126 HZ2 LYS 126 224.511 6.028 10.307 992 HZ3 LYS 126 HZ3 LYS 126 224.988 7.645 10.447 993 H PHE 127 HN PHE 127 218.454 7.717 8.079 994 HA PHE 127 HA PHE 127 217.113 10.320 7.793 995 HB2 PHE 127 HB2 PHE 127 215.691 7.705 7.362 996 HB3 PHE 127 HB1 PHE 127 215.145 9.322 6.946 997 HD1 PHE 127 HD1 PHE 127 217.552 10.361 5.565 998 HD2 PHE 127 HD2 PHE 127 215.626 6.574 5.342 999 HE1 PHE 127 HE1 PHE 127 218.403 10.067 3.276 1000 HE2 PHE 127 HE2 PHE 127 216.475 6.272 3.053 1001 HZ PHE 127 HZ PHE 127 217.863 8.021 2.019 1002 H ILE 128 HN ILE 128 215.412 10.712 9.262 1003 HA ILE 128 HA ILE 128 215.517 9.017 11.667 1004 HB ILE 128 HB ILE 128 214.599 11.834 11.855 1005 HG12 ILE 128 HG12 ILE 128 217.512 11.015 11.737 1006 HG13 ILE 128 HG11 ILE 128 216.675 12.014 10.553 1007 HG21 ILE 128 HG21 ILE 128 216.188 11.320 13.995 1008 HG22 ILE 128 HG22 ILE 128 215.584 9.708 13.613 1009 HG23 ILE 128 HG23 ILE 128 214.452 11.019 13.940 1010 HD11 ILE 128 HD11 ILE 128 217.924 12.757 13.040 1011 HD12 ILE 128 HD12 ILE 128 216.247 13.301 12.972 1012 HD13 ILE 128 HD13 ILE 128 217.378 13.769 11.703 1013 H ILE 129 HN ILE 129 213.666 8.383 12.575 1014 HA ILE 129 HA ILE 129 211.183 9.028 11.134 1015 HB ILE 129 HB ILE 129 211.735 6.530 12.735 1016 HG12 ILE 129 HG12 ILE 129 213.253 6.598 10.833 1017 HG13 ILE 129 HG11 ILE 129 211.990 5.406 10.543 1018 HG21 ILE 129 HG21 ILE 129 209.794 5.854 11.047 1019 HG22 ILE 129 HG22 ILE 129 209.450 7.579 11.183 1020 HG23 ILE 129 HG23 ILE 129 209.476 6.567 12.628 1021 HD11 ILE 129 HD11 ILE 129 212.757 7.611 8.939 1022 HD12 ILE 129 HD12 ILE 129 211.100 7.872 9.484 1023 HD13 ILE 129 HD13 ILE 129 211.523 6.391 8.625 1024 H GLU 130 HN GLU 130 209.319 9.488 12.266 1025 HA GLU 130 HA GLU 130 209.484 9.592 15.193 1026 HB2 GLU 130 HB2 GLU 130 208.784 11.857 13.337 1027 HB3 GLU 130 HB1 GLU 130 208.218 11.826 15.001 1028 HG2 GLU 130 HG2 GLU 130 210.428 11.911 15.848 1029 HG3 GLU 130 HG1 GLU 130 211.120 11.613 14.254 1030 H SER 131 HN SER 131 208.070 7.894 15.435 1031 HA SER 131 HA SER 131 205.760 7.376 14.006 1032 HB2 SER 131 HB2 SER 131 205.030 6.385 16.378 1033 HB3 SER 131 HB1 SER 131 206.269 5.618 15.386 1034 HG SER 131 HG SER 131 206.862 7.559 17.359 1035 H GLU 132 HN GLU 132 204.174 8.765 13.611 1036 HA GLU 132 HA GLU 132 203.493 10.963 15.231 1037 HB2 GLU 132 HB2 GLU 132 202.872 10.146 12.686 1038 HB3 GLU 132 HB1 GLU 132 201.337 9.941 13.519 1039 HG2 GLU 132 HG2 GLU 132 202.958 12.477 13.452 1040 HG3 GLU 132 HG1 GLU 132 201.543 12.136 12.457 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 193.509 4.029 18.295 2 H2 MET 1 HT2 MET 1 193.839 2.371 17.997 3 H3 MET 1 HT3 MET 1 192.696 3.209 17.028 4 HA MET 1 HA MET 1 194.529 4.706 16.357 5 HB2 MET 1 HB2 MET 1 195.928 2.693 18.048 6 HB3 MET 1 HB1 MET 1 196.759 3.252 16.603 7 HG2 MET 1 HG2 MET 1 197.524 4.872 17.930 8 HG3 MET 1 HG1 MET 1 195.939 5.602 17.678 9 HE1 MET 1 HE1 MET 1 197.058 6.666 20.736 10 HE2 MET 1 HE2 MET 1 198.226 5.794 19.743 11 HE3 MET 1 HE3 MET 1 197.870 5.239 21.379 12 H LYS 2 HN LYS 2 193.204 3.985 14.581 13 HA LYS 2 HA LYS 2 193.708 1.408 13.401 14 HB2 LYS 2 HB2 LYS 2 192.279 3.679 12.042 15 HB3 LYS 2 HB1 LYS 2 192.060 1.953 11.809 16 HG2 LYS 2 HG2 LYS 2 190.484 1.867 13.363 17 HG3 LYS 2 HG1 LYS 2 191.514 2.681 14.541 18 HD2 LYS 2 HD2 LYS 2 190.081 4.390 14.400 19 HD3 LYS 2 HD1 LYS 2 190.792 4.712 12.817 20 HE2 LYS 2 HE2 LYS 2 188.703 2.640 12.866 21 HE3 LYS 2 HE1 LYS 2 188.155 4.272 13.250 22 HZ1 LYS 2 HZ1 LYS 2 187.956 4.029 10.933 23 HZ2 LYS 2 HZ2 LYS 2 189.493 3.341 10.777 24 HZ3 LYS 2 HZ3 LYS 2 189.336 4.980 11.164 25 HA PRO 3 HA PRO 3 196.042 4.036 10.164 26 HB2 PRO 3 HB2 PRO 3 196.467 6.644 10.555 27 HB3 PRO 3 HB1 PRO 3 194.916 6.050 9.948 28 HG2 PRO 3 HG2 PRO 3 195.666 6.916 12.710 29 HG3 PRO 3 HG1 PRO 3 194.175 7.228 11.804 30 HD2 PRO 3 HD2 PRO 3 194.472 5.260 13.720 31 HD3 PRO 3 HD1 PRO 3 193.243 5.248 12.442 32 H LYS 4 HN LYS 4 197.987 3.103 10.495 33 HA LYS 4 HA LYS 4 199.680 4.090 12.680 34 HB2 LYS 4 HB2 LYS 4 199.739 1.553 11.051 35 HB3 LYS 4 HB1 LYS 4 201.065 2.030 12.101 36 HG2 LYS 4 HG2 LYS 4 199.807 0.559 13.392 37 HG3 LYS 4 HG1 LYS 4 199.315 2.157 13.957 38 HD2 LYS 4 HD2 LYS 4 197.203 1.597 13.537 39 HD3 LYS 4 HD1 LYS 4 197.604 1.532 11.820 40 HE2 LYS 4 HE2 LYS 4 196.573 -0.548 12.516 41 HE3 LYS 4 HE1 LYS 4 198.258 -0.823 12.079 42 HZ1 LYS 4 HZ1 LYS 4 198.269 -1.908 14.034 43 HZ2 LYS 4 HZ2 LYS 4 196.951 -1.054 14.662 44 HZ3 LYS 4 HZ3 LYS 4 198.495 -0.363 14.686 45 H PHE 5 HN PHE 5 200.103 6.043 11.425 46 HA PHE 5 HA PHE 5 201.880 5.666 9.124 47 HB2 PHE 5 HB2 PHE 5 200.521 8.140 10.209 48 HB3 PHE 5 HB1 PHE 5 201.613 8.136 8.829 49 HD1 PHE 5 HD2 PHE 5 200.950 7.093 6.724 50 HD2 PHE 5 HD1 PHE 5 198.283 7.315 10.032 51 HE1 PHE 5 HE2 PHE 5 199.062 6.585 5.230 52 HE2 PHE 5 HE1 PHE 5 196.390 6.807 8.544 53 HZ PHE 5 HZ PHE 5 196.778 6.442 6.140 54 H PHE 6 HN PHE 6 203.662 7.480 9.035 55 HA PHE 6 HA PHE 6 204.787 8.084 11.651 56 HB2 PHE 6 HB2 PHE 6 206.931 6.952 10.085 57 HB3 PHE 6 HB1 PHE 6 206.455 6.609 11.736 58 HD1 PHE 6 HD2 PHE 6 204.721 4.845 12.156 59 HD2 PHE 6 HD1 PHE 6 206.485 5.479 8.337 60 HE1 PHE 6 HE2 PHE 6 204.016 2.595 11.459 61 HE2 PHE 6 HE1 PHE 6 205.787 3.231 7.632 62 HZ PHE 6 HZ PHE 6 204.550 1.782 9.197 63 H TYR 7 HN TYR 7 206.938 9.227 11.395 64 HA TYR 7 HA TYR 7 206.756 10.978 9.047 65 HB2 TYR 7 HB2 TYR 7 206.919 11.562 11.849 66 HB3 TYR 7 HB1 TYR 7 208.359 12.190 11.057 67 HD1 TYR 7 HD2 TYR 7 207.587 13.251 8.574 68 HD2 TYR 7 HD1 TYR 7 205.333 13.187 12.183 69 HE1 TYR 7 HE2 TYR 7 206.313 15.210 7.807 70 HE2 TYR 7 HE1 TYR 7 204.053 15.145 11.425 71 HH TYR 7 HH TYR 7 203.473 16.299 9.408 72 H ILE 8 HN ILE 8 208.382 10.883 7.637 73 HA ILE 8 HA ILE 8 210.890 9.616 8.508 74 HB ILE 8 HB ILE 8 210.838 9.873 5.670 75 HG12 ILE 8 HG12 ILE 8 208.359 10.010 5.920 76 HG13 ILE 8 HG11 ILE 8 208.887 8.574 5.051 77 HG21 ILE 8 HG21 ILE 8 212.031 8.205 7.084 78 HG22 ILE 8 HG22 ILE 8 211.164 7.504 5.718 79 HG23 ILE 8 HG23 ILE 8 210.488 7.393 7.343 80 HD11 ILE 8 HD11 ILE 8 207.545 7.456 6.421 81 HD12 ILE 8 HD12 ILE 8 207.411 8.814 7.537 82 HD13 ILE 8 HD13 ILE 8 208.781 7.710 7.653 83 H LYS 9 HN LYS 9 212.295 11.138 9.095 84 HA LYS 9 HA LYS 9 212.459 13.599 7.509 85 HB2 LYS 9 HB2 LYS 9 212.022 14.024 9.808 86 HB3 LYS 9 HB1 LYS 9 213.287 12.916 10.320 87 HG2 LYS 9 HG2 LYS 9 214.846 14.491 10.207 88 HG3 LYS 9 HG1 LYS 9 214.304 15.026 8.616 89 HD2 LYS 9 HD2 LYS 9 212.936 16.618 9.464 90 HD3 LYS 9 HD1 LYS 9 212.581 15.689 10.921 91 HE2 LYS 9 HE2 LYS 9 215.347 16.714 10.558 92 HE3 LYS 9 HE1 LYS 9 214.087 17.874 10.979 93 HZ1 LYS 9 HZ1 LYS 9 214.566 15.379 12.507 94 HZ2 LYS 9 HZ2 LYS 9 213.606 16.697 12.957 95 HZ3 LYS 9 HZ3 LYS 9 215.289 16.857 12.900 96 H SER 10 HN SER 10 214.292 14.202 6.481 97 HA SER 10 HA SER 10 216.376 12.252 6.131 98 HB2 SER 10 HB2 SER 10 217.362 14.416 4.870 99 HB3 SER 10 HB1 SER 10 216.139 13.373 4.145 100 HG SER 10 HG SER 10 215.120 15.225 3.990 101 H GLU 11 HN GLU 11 217.799 11.984 7.717 102 HA GLU 11 HA GLU 11 218.406 13.860 9.705 103 HB2 GLU 11 HB2 GLU 11 218.731 11.491 10.085 104 HB3 GLU 11 HB1 GLU 11 219.939 11.418 8.811 105 HG2 GLU 11 HG2 GLU 11 221.570 12.179 10.137 106 HG3 GLU 11 HG1 GLU 11 220.523 13.364 10.916 107 H LEU 12 HN LEU 12 219.391 13.791 6.499 108 HA LEU 12 HA LEU 12 221.991 14.978 6.936 109 HB2 LEU 12 HB2 LEU 12 221.554 13.515 4.999 110 HB3 LEU 12 HB1 LEU 12 220.389 14.677 4.395 111 HG LEU 12 HG LEU 12 222.128 16.315 4.025 112 HD11 LEU 12 HD11 LEU 12 223.733 14.414 5.628 113 HD12 LEU 12 HD12 LEU 12 223.767 16.177 5.583 114 HD13 LEU 12 HD13 LEU 12 224.553 15.248 4.307 115 HD21 LEU 12 HD21 LEU 12 223.454 13.945 2.877 116 HD22 LEU 12 HD22 LEU 12 222.852 15.404 2.091 117 HD23 LEU 12 HD23 LEU 12 221.733 14.114 2.530 118 H ASN 13 HN ASN 13 219.064 16.095 5.219 119 HA ASN 13 HA ASN 13 219.901 18.846 5.462 120 HB2 ASN 13 HB2 ASN 13 217.264 17.908 4.371 121 HB3 ASN 13 HB1 ASN 13 218.191 19.331 3.923 122 HD21 ASN 13 HD21 ASN 13 217.132 16.705 2.622 123 HD22 ASN 13 HD22 ASN 13 218.458 16.222 1.625 124 H GLY 14 HN GLY 14 218.069 16.731 7.377 125 HA2 GLY 14 HA2 GLY 14 216.897 17.161 9.325 126 HA3 GLY 14 HA1 GLY 14 217.243 18.873 9.103 127 H LYS 15 HN LYS 15 215.980 17.679 6.276 128 HA LYS 15 HA LYS 15 213.389 18.887 6.791 129 HB2 LYS 15 HB2 LYS 15 214.460 17.775 4.196 130 HB3 LYS 15 HB1 LYS 15 213.144 18.912 4.404 131 HG2 LYS 15 HG2 LYS 15 216.057 19.436 4.937 132 HG3 LYS 15 HG1 LYS 15 215.108 20.046 3.580 133 HD2 LYS 15 HD2 LYS 15 214.192 20.620 6.359 134 HD3 LYS 15 HD1 LYS 15 215.548 21.536 5.700 135 HE2 LYS 15 HE2 LYS 15 213.267 21.296 3.881 136 HE3 LYS 15 HE1 LYS 15 212.908 22.164 5.373 137 HZ1 LYS 15 HZ1 LYS 15 214.763 23.638 4.928 138 HZ2 LYS 15 HZ2 LYS 15 213.680 23.653 3.630 139 HZ3 LYS 15 HZ3 LYS 15 215.132 22.796 3.508 140 H VAL 16 HN VAL 16 211.562 17.650 5.419 141 HA VAL 16 HA VAL 16 211.727 14.809 6.182 142 HB VAL 16 HB VAL 16 209.200 14.947 6.379 143 HG11 VAL 16 HG11 VAL 16 209.534 16.395 8.625 144 HG12 VAL 16 HG12 VAL 16 211.214 16.020 8.242 145 HG13 VAL 16 HG13 VAL 16 210.047 14.716 8.457 146 HG21 VAL 16 HG21 VAL 16 209.504 17.861 6.888 147 HG22 VAL 16 HG22 VAL 16 208.082 16.941 6.397 148 HG23 VAL 16 HG23 VAL 16 209.341 17.314 5.219 149 H LEU 17 HN LEU 17 210.957 13.304 4.733 150 HA LEU 17 HA LEU 17 210.959 14.060 1.989 151 HB2 LEU 17 HB2 LEU 17 209.861 11.457 3.021 152 HB3 LEU 17 HB1 LEU 17 210.666 11.773 1.496 153 HG LEU 17 HG LEU 17 211.953 11.667 4.224 154 HD11 LEU 17 HD11 LEU 17 213.277 9.863 2.851 155 HD12 LEU 17 HD12 LEU 17 211.798 9.824 1.892 156 HD13 LEU 17 HD13 LEU 17 211.739 9.471 3.619 157 HD21 LEU 17 HD21 LEU 17 212.947 13.425 2.813 158 HD22 LEU 17 HD22 LEU 17 213.230 12.228 1.549 159 HD23 LEU 17 HD23 LEU 17 214.057 12.085 3.100 160 H ASP 18 HN ASP 18 209.266 14.468 0.605 161 HA ASP 18 HA ASP 18 206.539 13.981 1.531 162 HB2 ASP 18 HB2 ASP 18 207.344 16.324 2.203 163 HB3 ASP 18 HB1 ASP 18 207.332 16.694 0.481 164 H ILE 19 HN ILE 19 205.068 13.673 -0.107 165 HA ILE 19 HA ILE 19 206.095 12.979 -2.664 166 HB ILE 19 HB ILE 19 203.190 13.541 -2.072 167 HG12 ILE 19 HG12 ILE 19 204.161 12.050 -0.319 168 HG13 ILE 19 HG11 ILE 19 202.931 11.264 -1.300 169 HG21 ILE 19 HG21 ILE 19 202.765 11.901 -3.796 170 HG22 ILE 19 HG22 ILE 19 204.493 11.589 -3.962 171 HG23 ILE 19 HG23 ILE 19 203.833 13.161 -4.415 172 HD11 ILE 19 HD11 ILE 19 204.985 10.445 -2.688 173 HD12 ILE 19 HD12 ILE 19 204.528 9.635 -1.190 174 HD13 ILE 19 HD13 ILE 19 205.863 10.787 -1.197 175 H GLU 20 HN GLU 20 205.880 14.057 -4.665 176 HA GLU 20 HA GLU 20 206.287 16.773 -4.713 177 HB2 GLU 20 HB2 GLU 20 205.701 14.695 -6.679 178 HB3 GLU 20 HB1 GLU 20 205.126 16.282 -7.171 179 HG2 GLU 20 HG2 GLU 20 207.569 16.971 -6.375 180 HG3 GLU 20 HG1 GLU 20 207.886 15.290 -6.802 181 H GLY 21 HN GLY 21 204.990 18.291 -3.924 182 HA2 GLY 21 HA2 GLY 21 203.099 19.507 -3.445 183 HA3 GLY 21 HA1 GLY 21 202.654 19.131 -5.102 184 H GLN 22 HN GLN 22 203.033 16.589 -2.752 185 HA GLN 22 HA GLN 22 201.561 15.016 -2.003 186 HB2 GLN 22 HB2 GLN 22 201.037 16.913 -0.504 187 HB3 GLN 22 HB1 GLN 22 199.796 17.443 -1.631 188 HG2 GLN 22 HG2 GLN 22 198.642 15.272 -1.292 189 HG3 GLN 22 HG1 GLN 22 199.836 14.882 -0.054 190 HE21 GLN 22 HE21 GLN 22 196.922 15.243 0.122 191 HE22 GLN 22 HE22 GLN 22 196.676 16.464 1.320 192 H ASN 23 HN ASN 23 201.497 14.384 -4.371 193 HA ASN 23 HA ASN 23 198.852 14.824 -5.560 194 HB2 ASN 23 HB2 ASN 23 201.184 15.105 -6.780 195 HB3 ASN 23 HB1 ASN 23 201.023 13.365 -6.999 196 HD21 ASN 23 HD21 ASN 23 199.587 16.480 -7.677 197 HD22 ASN 23 HD22 ASN 23 198.630 15.962 -9.019 198 HA PRO 24 HA PRO 24 198.023 10.684 -3.900 199 HB2 PRO 24 HB2 PRO 24 195.310 11.226 -4.893 200 HB3 PRO 24 HB1 PRO 24 195.853 10.866 -3.252 201 HG2 PRO 24 HG2 PRO 24 195.006 13.317 -3.961 202 HG3 PRO 24 HG1 PRO 24 196.300 13.077 -2.772 203 HD2 PRO 24 HD2 PRO 24 196.499 13.831 -5.666 204 HD3 PRO 24 HD1 PRO 24 197.402 14.462 -4.272 205 H ALA 25 HN ALA 25 197.896 11.891 -7.073 206 HA ALA 25 HA ALA 25 196.817 9.511 -8.294 207 HB1 ALA 25 HB1 ALA 25 196.421 10.950 -9.935 208 HB2 ALA 25 HB2 ALA 25 198.156 11.071 -10.226 209 HB3 ALA 25 HB3 ALA 25 197.369 12.190 -9.113 210 HA PRO 26 HA PRO 26 200.584 7.285 -8.862 211 HB2 PRO 26 HB2 PRO 26 200.212 6.059 -11.220 212 HB3 PRO 26 HB1 PRO 26 199.250 5.652 -9.795 213 HG2 PRO 26 HG2 PRO 26 198.553 7.425 -12.100 214 HG3 PRO 26 HG1 PRO 26 197.566 6.183 -11.308 215 HD2 PRO 26 HD2 PRO 26 197.313 8.838 -10.776 216 HD3 PRO 26 HD1 PRO 26 196.984 7.574 -9.573 217 H GLY 27 HN GLY 27 202.643 7.590 -9.633 218 HA2 GLY 27 HA2 GLY 27 204.194 8.126 -11.360 219 HA3 GLY 27 HA1 GLY 27 202.963 9.128 -12.113 220 H SER 28 HN SER 28 202.930 9.687 -8.815 221 HA SER 28 HA SER 28 204.040 12.297 -9.149 222 HB2 SER 28 HB2 SER 28 203.491 11.144 -6.444 223 HB3 SER 28 HB1 SER 28 203.182 12.770 -7.053 224 HG SER 28 HG SER 28 201.289 11.395 -6.771 225 H LYS 29 HN LYS 29 205.986 13.058 -8.608 226 HA LYS 29 HA LYS 29 208.077 11.180 -7.972 227 HB2 LYS 29 HB2 LYS 29 208.149 14.171 -8.416 228 HB3 LYS 29 HB1 LYS 29 209.561 13.144 -8.234 229 HG2 LYS 29 HG2 LYS 29 207.542 13.061 -10.461 230 HG3 LYS 29 HG1 LYS 29 209.218 13.605 -10.559 231 HD2 LYS 29 HD2 LYS 29 209.896 11.282 -9.858 232 HD3 LYS 29 HD1 LYS 29 208.210 10.809 -10.076 233 HE2 LYS 29 HE2 LYS 29 208.290 11.072 -12.363 234 HE3 LYS 29 HE1 LYS 29 209.625 12.221 -12.289 235 HZ1 LYS 29 HZ1 LYS 29 210.069 9.439 -11.449 236 HZ2 LYS 29 HZ2 LYS 29 211.168 10.553 -12.089 237 HZ3 LYS 29 HZ3 LYS 29 210.035 9.809 -13.100 238 H ILE 30 HN ILE 30 209.584 11.505 -6.197 239 HA ILE 30 HA ILE 30 208.266 12.769 -3.872 240 HB ILE 30 HB ILE 30 209.384 11.126 -2.443 241 HG12 ILE 30 HG12 ILE 30 210.244 9.800 -5.023 242 HG13 ILE 30 HG11 ILE 30 211.319 10.717 -3.971 243 HG21 ILE 30 HG21 ILE 30 207.653 10.111 -4.680 244 HG22 ILE 30 HG22 ILE 30 207.177 10.570 -3.046 245 HG23 ILE 30 HG23 ILE 30 208.113 9.099 -3.311 246 HD11 ILE 30 HD11 ILE 30 210.612 7.985 -3.831 247 HD12 ILE 30 HD12 ILE 30 209.988 8.782 -2.389 248 HD13 ILE 30 HD13 ILE 30 211.702 8.895 -2.787 249 H ILE 31 HN ILE 31 209.504 13.956 -2.407 250 HA ILE 31 HA ILE 31 212.355 14.262 -2.814 251 HB ILE 31 HB ILE 31 212.390 16.581 -3.320 252 HG12 ILE 31 HG12 ILE 31 210.314 17.116 -1.977 253 HG13 ILE 31 HG11 ILE 31 210.478 17.990 -3.493 254 HG21 ILE 31 HG21 ILE 31 210.364 15.306 -5.150 255 HG22 ILE 31 HG22 ILE 31 212.104 15.031 -5.217 256 HG23 ILE 31 HG23 ILE 31 211.454 16.637 -5.540 257 HD11 ILE 31 HD11 ILE 31 209.021 15.605 -3.983 258 HD12 ILE 31 HD12 ILE 31 208.491 17.282 -4.126 259 HD13 ILE 31 HD13 ILE 31 208.318 16.429 -2.591 260 H THR 32 HN THR 32 213.047 16.296 -1.361 261 HA THR 32 HA THR 32 211.798 15.759 1.248 262 HB THR 32 HB THR 32 213.819 16.210 2.274 263 HG1 THR 32 HG1 THR 32 214.327 18.205 1.539 264 HG21 THR 32 HG21 THR 32 214.554 15.164 -0.441 265 HG22 THR 32 HG22 THR 32 214.259 14.244 1.035 266 HG23 THR 32 HG23 THR 32 215.686 15.273 0.906 267 H TRP 33 HN TRP 33 211.213 17.473 2.657 268 HA TRP 33 HA TRP 33 211.417 20.207 1.766 269 HB2 TRP 33 HB2 TRP 33 209.445 19.159 0.510 270 HB3 TRP 33 HB1 TRP 33 208.638 19.073 2.072 271 HD1 TRP 33 HD1 TRP 33 207.050 21.030 2.427 272 HE1 TRP 33 HE1 TRP 33 206.966 23.503 1.720 273 HE3 TRP 33 HE3 TRP 33 211.414 21.266 -0.227 274 HZ2 TRP 33 HZ2 TRP 33 208.540 25.313 0.236 275 HZ3 TRP 33 HZ3 TRP 33 212.051 23.406 -1.259 276 HH2 TRP 33 HH2 TRP 33 210.642 25.388 -1.033 277 H ASP 34 HN ASP 34 210.057 21.652 3.328 278 HA ASP 34 HA ASP 34 210.906 21.036 5.972 279 HB2 ASP 34 HB2 ASP 34 208.938 23.185 5.178 280 HB3 ASP 34 HB1 ASP 34 209.984 23.155 6.594 281 H GLN 35 HN GLN 35 209.820 20.186 7.659 282 HA GLN 35 HA GLN 35 207.506 18.659 7.238 283 HB2 GLN 35 HB2 GLN 35 209.315 18.449 9.071 284 HB3 GLN 35 HB1 GLN 35 208.354 19.627 9.954 285 HG2 GLN 35 HG2 GLN 35 206.397 17.992 9.519 286 HG3 GLN 35 HG1 GLN 35 207.674 16.820 9.199 287 HE21 GLN 35 HE21 GLN 35 207.830 15.550 10.903 288 HE22 GLN 35 HE22 GLN 35 207.895 16.064 12.551 289 H LYS 36 HN LYS 36 205.397 19.105 7.349 290 HA LYS 36 HA LYS 36 204.604 21.841 7.995 291 HB2 LYS 36 HB2 LYS 36 202.894 19.644 6.827 292 HB3 LYS 36 HB1 LYS 36 202.551 21.369 6.843 293 HG2 LYS 36 HG2 LYS 36 205.046 20.506 5.507 294 HG3 LYS 36 HG1 LYS 36 203.520 20.112 4.712 295 HD2 LYS 36 HD2 LYS 36 203.982 22.882 5.730 296 HD3 LYS 36 HD1 LYS 36 204.722 22.379 4.209 297 HE2 LYS 36 HE2 LYS 36 202.745 23.192 3.413 298 HE3 LYS 36 HE1 LYS 36 202.271 21.521 3.717 299 HZ1 LYS 36 HZ1 LYS 36 200.943 22.114 5.418 300 HZ2 LYS 36 HZ2 LYS 36 200.920 23.612 4.633 301 HZ3 LYS 36 HZ3 LYS 36 201.958 23.361 5.944 302 H LYS 37 HN LYS 37 202.634 22.205 9.260 303 HA LYS 37 HA LYS 37 202.247 20.139 11.327 304 HB2 LYS 37 HB2 LYS 37 202.233 23.139 11.710 305 HB3 LYS 37 HB1 LYS 37 201.925 21.944 12.962 306 HG2 LYS 37 HG2 LYS 37 204.503 22.011 11.430 307 HG3 LYS 37 HG1 LYS 37 204.242 22.981 12.881 308 HD2 LYS 37 HD2 LYS 37 203.515 20.138 13.119 309 HD3 LYS 37 HD1 LYS 37 205.235 20.460 12.888 310 HE2 LYS 37 HE2 LYS 37 205.155 20.621 15.154 311 HE3 LYS 37 HE1 LYS 37 204.746 22.288 14.751 312 HZ1 LYS 37 HZ1 LYS 37 202.368 21.599 14.887 313 HZ2 LYS 37 HZ2 LYS 37 203.198 21.537 16.359 314 HZ3 LYS 37 HZ3 LYS 37 202.881 20.110 15.507 315 H GLY 38 HN GLY 38 200.313 19.267 10.888 316 HA2 GLY 38 HA2 GLY 38 197.914 20.365 11.473 317 HA3 GLY 38 HA1 GLY 38 198.153 20.852 9.802 318 HA PRO 39 HA PRO 39 196.294 16.554 9.947 319 HB2 PRO 39 HB2 PRO 39 193.930 17.612 8.657 320 HB3 PRO 39 HB1 PRO 39 194.069 16.826 10.230 321 HG2 PRO 39 HG2 PRO 39 193.462 19.471 9.904 322 HG3 PRO 39 HG1 PRO 39 194.254 18.811 11.347 323 HD2 PRO 39 HD2 PRO 39 195.459 20.245 9.009 324 HD3 PRO 39 HD1 PRO 39 195.839 20.389 10.740 325 H THR 40 HN THR 40 197.410 18.710 7.726 326 HA THR 40 HA THR 40 196.833 16.893 5.481 327 HB THR 40 HB THR 40 195.783 19.099 5.180 328 HG1 THR 40 HG1 THR 40 196.694 17.935 3.372 329 HG21 THR 40 HG21 THR 40 198.250 20.093 6.176 330 HG22 THR 40 HG22 THR 40 196.776 20.974 5.777 331 HG23 THR 40 HG23 THR 40 198.005 20.706 4.541 332 H ALA 41 HN ALA 41 199.018 16.750 7.430 333 HA ALA 41 HA ALA 41 201.321 17.326 5.690 334 HB1 ALA 41 HB1 ALA 41 202.629 17.682 7.527 335 HB2 ALA 41 HB2 ALA 41 201.687 16.596 8.548 336 HB3 ALA 41 HB3 ALA 41 201.068 18.202 8.162 337 H VAL 42 HN VAL 42 199.323 14.848 6.339 338 HA VAL 42 HA VAL 42 200.980 12.682 7.015 339 HB VAL 42 HB VAL 42 198.698 12.315 5.109 340 HG11 VAL 42 HG11 VAL 42 200.253 10.507 6.232 341 HG12 VAL 42 HG12 VAL 42 198.524 10.222 6.025 342 HG13 VAL 42 HG13 VAL 42 199.152 10.737 7.591 343 HG21 VAL 42 HG21 VAL 42 197.474 13.672 6.455 344 HG22 VAL 42 HG22 VAL 42 198.553 13.459 7.834 345 HG23 VAL 42 HG23 VAL 42 197.381 12.205 7.429 346 H ASN 43 HN ASN 43 200.825 14.556 4.151 347 HA ASN 43 HA ASN 43 201.662 12.688 2.229 348 HB2 ASN 43 HB2 ASN 43 200.811 15.053 1.829 349 HB3 ASN 43 HB1 ASN 43 202.427 15.607 2.256 350 HD21 ASN 43 HD21 ASN 43 203.120 16.355 0.345 351 HD22 ASN 43 HD22 ASN 43 203.282 15.399 -1.085 352 H GLN 44 HN GLN 44 203.267 13.860 4.954 353 HA GLN 44 HA GLN 44 205.909 13.182 3.850 354 HB2 GLN 44 HB2 GLN 44 205.027 15.026 6.059 355 HB3 GLN 44 HB1 GLN 44 206.656 14.375 6.033 356 HG2 GLN 44 HG2 GLN 44 207.220 16.090 4.757 357 HG3 GLN 44 HG1 GLN 44 206.280 15.335 3.472 358 HE21 GLN 44 HE21 GLN 44 206.785 18.163 4.058 359 HE22 GLN 44 HE22 GLN 44 205.228 18.894 4.220 360 H LEU 45 HN LEU 45 203.461 11.810 5.246 361 HA LEU 45 HA LEU 45 205.056 10.212 7.110 362 HB2 LEU 45 HB2 LEU 45 202.172 11.025 7.250 363 HB3 LEU 45 HB1 LEU 45 202.835 9.762 8.227 364 HG LEU 45 HG LEU 45 204.557 11.922 8.614 365 HD11 LEU 45 HD11 LEU 45 201.708 12.832 8.900 366 HD12 LEU 45 HD12 LEU 45 202.767 13.293 7.569 367 HD13 LEU 45 HD13 LEU 45 203.175 13.757 9.219 368 HD21 LEU 45 HD21 LEU 45 204.126 11.529 10.808 369 HD22 LEU 45 HD22 LEU 45 203.402 10.065 10.143 370 HD23 LEU 45 HD23 LEU 45 202.382 11.440 10.564 371 H TRP 46 HN TRP 46 204.783 8.012 7.123 372 HA TRP 46 HA TRP 46 203.138 6.867 4.971 373 HB2 TRP 46 HB2 TRP 46 206.013 6.210 5.610 374 HB3 TRP 46 HB1 TRP 46 205.001 5.311 4.490 375 HD1 TRP 46 HD1 TRP 46 205.968 9.060 4.898 376 HE1 TRP 46 HE1 TRP 46 206.496 9.996 2.559 377 HE3 TRP 46 HE3 TRP 46 205.103 4.852 2.120 378 HZ2 TRP 46 HZ2 TRP 46 206.538 9.076 -0.108 379 HZ3 TRP 46 HZ3 TRP 46 205.408 4.967 -0.319 380 HH2 TRP 46 HH2 TRP 46 206.110 7.036 -1.408 381 H TYR 47 HN TYR 47 203.031 4.429 5.181 382 HA TYR 47 HA TYR 47 203.118 3.567 7.972 383 HB2 TYR 47 HB2 TYR 47 200.899 2.823 8.035 384 HB3 TYR 47 HB1 TYR 47 200.789 4.386 7.243 385 HD1 TYR 47 HD2 TYR 47 201.093 0.755 6.418 386 HD2 TYR 47 HD1 TYR 47 199.552 4.559 5.300 387 HE1 TYR 47 HE2 TYR 47 199.863 -0.296 4.566 388 HE2 TYR 47 HE1 TYR 47 198.314 3.518 3.449 389 HH TYR 47 HH TYR 47 198.558 1.394 2.034 390 H THR 48 HN THR 48 203.032 1.171 8.187 391 HA THR 48 HA THR 48 204.283 -0.080 5.839 392 HB THR 48 HB THR 48 205.094 -1.771 7.577 393 HG1 THR 48 HG1 THR 48 205.127 -0.944 9.715 394 HG21 THR 48 HG21 THR 48 206.703 0.025 8.631 395 HG22 THR 48 HG22 THR 48 206.018 1.037 7.359 396 HG23 THR 48 HG23 THR 48 206.841 -0.466 6.943 397 H ASP 49 HN ASP 49 203.421 -1.837 4.893 398 HA ASP 49 HA ASP 49 200.757 -2.592 5.651 399 HB2 ASP 49 HB2 ASP 49 201.594 -2.411 3.275 400 HB3 ASP 49 HB1 ASP 49 202.497 -3.897 3.552 401 H GLN 50 HN GLN 50 200.140 -4.944 5.758 402 HA GLN 50 HA GLN 50 201.337 -6.159 7.974 403 HB2 GLN 50 HB2 GLN 50 199.692 -7.609 5.904 404 HB3 GLN 50 HB1 GLN 50 199.851 -7.990 7.613 405 HG2 GLN 50 HG2 GLN 50 197.939 -6.892 7.873 406 HG3 GLN 50 HG1 GLN 50 198.893 -5.425 7.662 407 HE21 GLN 50 HE21 GLN 50 196.931 -4.469 6.878 408 HE22 GLN 50 HE22 GLN 50 196.443 -4.719 5.240 409 H GLN 51 HN GLN 51 202.145 -6.306 4.624 410 HA GLN 51 HA GLN 51 203.808 -8.681 5.011 411 HB2 GLN 51 HB2 GLN 51 203.123 -7.119 2.517 412 HB3 GLN 51 HB1 GLN 51 204.159 -8.539 2.551 413 HG2 GLN 51 HG2 GLN 51 202.368 -9.948 3.173 414 HG3 GLN 51 HG1 GLN 51 201.320 -8.575 3.525 415 HE21 GLN 51 HE21 GLN 51 201.450 -10.965 1.530 416 HE22 GLN 51 HE22 GLN 51 200.960 -10.237 0.042 417 H GLY 52 HN GLY 52 204.116 -5.421 5.431 418 HA2 GLY 52 HA2 GLY 52 206.178 -4.471 6.148 419 HA3 GLY 52 HA1 GLY 52 207.027 -5.607 5.113 420 H VAL 53 HN VAL 53 204.425 -4.357 3.418 421 HA VAL 53 HA VAL 53 206.190 -2.667 1.858 422 HB VAL 53 HB VAL 53 203.272 -3.259 1.360 423 HG11 VAL 53 HG11 VAL 53 203.808 -2.676 -0.945 424 HG12 VAL 53 HG12 VAL 53 205.480 -2.358 -0.483 425 HG13 VAL 53 HG13 VAL 53 204.183 -1.344 0.147 426 HG21 VAL 53 HG21 VAL 53 204.279 -4.920 -0.328 427 HG22 VAL 53 HG22 VAL 53 204.221 -5.391 1.371 428 HG23 VAL 53 HG23 VAL 53 205.734 -4.824 0.664 429 H ILE 54 HN ILE 54 206.393 -0.582 2.324 430 HA ILE 54 HA ILE 54 204.521 0.746 4.031 431 HB ILE 54 HB ILE 54 206.003 2.795 3.411 432 HG12 ILE 54 HG12 ILE 54 208.198 0.884 2.958 433 HG13 ILE 54 HG11 ILE 54 207.086 1.070 1.605 434 HG21 ILE 54 HG21 ILE 54 206.108 2.036 5.590 435 HG22 ILE 54 HG22 ILE 54 207.776 1.881 5.037 436 HG23 ILE 54 HG23 ILE 54 206.738 0.458 5.116 437 HD11 ILE 54 HD11 ILE 54 209.147 2.569 1.687 438 HD12 ILE 54 HD12 ILE 54 208.298 3.445 2.961 439 HD13 ILE 54 HD13 ILE 54 207.591 3.326 1.349 440 H ARG 55 HN ARG 55 203.337 2.588 3.578 441 HA ARG 55 HA ARG 55 203.000 3.433 0.820 442 HB2 ARG 55 HB2 ARG 55 200.512 2.739 2.340 443 HB3 ARG 55 HB1 ARG 55 200.732 2.928 0.612 444 HG2 ARG 55 HG2 ARG 55 201.966 0.664 2.147 445 HG3 ARG 55 HG1 ARG 55 200.342 0.580 1.462 446 HD2 ARG 55 HD2 ARG 55 202.375 1.535 -0.412 447 HD3 ARG 55 HD1 ARG 55 202.651 -0.108 0.165 448 HE ARG 55 HE ARG 55 200.548 0.792 -1.580 449 HH11 ARG 55 HH11 ARG 55 201.544 -1.681 0.673 450 HH12 ARG 55 HH12 ARG 55 200.481 -2.880 0.018 451 HH21 ARG 55 HH21 ARG 55 199.151 -0.785 -2.442 452 HH22 ARG 55 HH22 ARG 55 199.123 -2.373 -1.751 453 H SER 56 HN SER 56 202.610 5.573 0.714 454 HA SER 56 HA SER 56 202.792 7.114 3.079 455 HB2 SER 56 HB2 SER 56 203.715 7.907 0.966 456 HB3 SER 56 HB1 SER 56 202.100 7.968 0.267 457 HG SER 56 HG SER 56 203.314 9.669 2.109 458 H LYS 57 HN LYS 57 201.243 9.172 3.072 459 HA LYS 57 HA LYS 57 198.954 8.529 4.398 460 HB2 LYS 57 HB2 LYS 57 198.190 10.788 3.981 461 HB3 LYS 57 HB1 LYS 57 199.927 10.790 4.238 462 HG2 LYS 57 HG2 LYS 57 200.394 11.259 2.024 463 HG3 LYS 57 HG1 LYS 57 198.829 10.670 1.465 464 HD2 LYS 57 HD2 LYS 57 198.720 12.949 3.322 465 HD3 LYS 57 HD1 LYS 57 199.461 13.288 1.758 466 HE2 LYS 57 HE2 LYS 57 197.188 13.752 1.443 467 HE3 LYS 57 HE1 LYS 57 197.414 12.150 0.741 468 HZ1 LYS 57 HZ1 LYS 57 196.357 12.685 3.465 469 HZ2 LYS 57 HZ2 LYS 57 196.520 11.166 2.740 470 HZ3 LYS 57 HZ3 LYS 57 195.416 12.285 2.116 471 H LEU 58 HN LEU 58 199.449 8.427 0.973 472 HA LEU 58 HA LEU 58 196.913 8.765 -0.041 473 HB2 LEU 58 HB2 LEU 58 199.044 6.821 -0.897 474 HB3 LEU 58 HB1 LEU 58 197.610 7.171 -1.841 475 HG LEU 58 HG LEU 58 199.034 8.610 -2.873 476 HD11 LEU 58 HD11 LEU 58 198.883 10.886 -1.982 477 HD12 LEU 58 HD12 LEU 58 198.313 10.243 -0.442 478 HD13 LEU 58 HD13 LEU 58 197.334 10.049 -1.896 479 HD21 LEU 58 HD21 LEU 58 201.075 9.357 -2.077 480 HD22 LEU 58 HD22 LEU 58 200.877 7.813 -1.249 481 HD23 LEU 58 HD23 LEU 58 200.549 9.320 -0.394 482 H ASN 59 HN ASN 59 198.023 6.220 1.990 483 HA ASN 59 HA ASN 59 196.774 4.678 3.134 484 HB2 ASN 59 HB2 ASN 59 194.769 6.218 2.196 485 HB3 ASN 59 HB1 ASN 59 194.432 4.724 1.326 486 HD21 ASN 59 HD21 ASN 59 192.472 4.699 2.581 487 HD22 ASN 59 HD22 ASN 59 192.495 4.061 4.187 488 H ASP 60 HN ASP 60 197.593 4.589 -0.137 489 HA ASP 60 HA ASP 60 198.120 1.830 -0.083 490 HB2 ASP 60 HB2 ASP 60 195.574 1.855 -0.290 491 HB3 ASP 60 HB1 ASP 60 195.816 2.491 -1.914 492 H PHE 61 HN PHE 61 199.788 3.762 -0.730 493 HA PHE 61 HA PHE 61 200.240 3.309 -3.576 494 HB2 PHE 61 HB2 PHE 61 199.751 5.930 -2.312 495 HB3 PHE 61 HB1 PHE 61 201.138 5.863 -3.391 496 HD1 PHE 61 HD2 PHE 61 197.567 4.792 -3.292 497 HD2 PHE 61 HD1 PHE 61 200.792 6.316 -5.611 498 HE1 PHE 61 HE2 PHE 61 196.065 5.010 -5.227 499 HE2 PHE 61 HE1 PHE 61 199.296 6.538 -7.551 500 HZ PHE 61 HZ PHE 61 196.929 5.886 -7.362 501 H ALA 62 HN ALA 62 202.079 2.250 -3.601 502 HA ALA 62 HA ALA 62 204.171 2.895 -1.654 503 HB1 ALA 62 HB1 ALA 62 203.276 0.502 -2.197 504 HB2 ALA 62 HB2 ALA 62 204.999 0.764 -1.928 505 HB3 ALA 62 HB3 ALA 62 204.376 0.617 -3.571 506 H ILE 63 HN ILE 63 206.314 3.308 -2.297 507 HA ILE 63 HA ILE 63 206.530 4.798 -4.751 508 HB ILE 63 HB ILE 63 209.018 4.151 -3.290 509 HG12 ILE 63 HG12 ILE 63 207.983 6.282 -1.808 510 HG13 ILE 63 HG11 ILE 63 206.677 5.105 -1.855 511 HG21 ILE 63 HG21 ILE 63 208.997 5.727 -5.122 512 HG22 ILE 63 HG22 ILE 63 209.409 6.549 -3.619 513 HG23 ILE 63 HG23 ILE 63 207.790 6.711 -4.296 514 HD11 ILE 63 HD11 ILE 63 209.440 4.220 -1.174 515 HD12 ILE 63 HD12 ILE 63 207.889 3.525 -0.703 516 HD13 ILE 63 HD13 ILE 63 208.446 5.024 0.040 517 H ASP 64 HN ASP 64 207.972 4.350 -6.485 518 HA ASP 64 HA ASP 64 208.956 1.589 -6.571 519 HB2 ASP 64 HB2 ASP 64 208.169 1.273 -8.812 520 HB3 ASP 64 HB1 ASP 64 206.818 1.804 -7.821 521 H ALA 65 HN ALA 65 210.928 1.307 -7.327 522 HA ALA 65 HA ALA 65 212.371 3.688 -8.284 523 HB1 ALA 65 HB1 ALA 65 213.675 2.925 -6.594 524 HB2 ALA 65 HB2 ALA 65 214.366 1.977 -7.910 525 HB3 ALA 65 HB3 ALA 65 213.186 1.246 -6.822 526 H SER 66 HN SER 66 210.666 2.493 -10.125 527 HA SER 66 HA SER 66 212.064 0.667 -11.818 528 HB2 SER 66 HB2 SER 66 209.671 2.412 -12.444 529 HB3 SER 66 HB1 SER 66 210.225 1.034 -13.394 530 HG SER 66 HG SER 66 209.911 -0.188 -11.356 531 H HIS 67 HN HIS 67 211.484 4.153 -11.876 532 HA HIS 67 HA HIS 67 213.212 4.419 -14.220 533 HB2 HIS 67 HB2 HIS 67 211.343 6.330 -12.826 534 HB3 HIS 67 HB1 HIS 67 212.436 6.829 -14.106 535 HD1 HIS 67 HD1 HIS 67 209.596 4.368 -13.572 536 HD2 HIS 67 HD2 HIS 67 211.419 6.541 -16.609 537 HE1 HIS 67 HE1 HIS 67 208.183 3.983 -15.616 538 HE2 HIS 67 HE2 HIS 67 209.361 5.227 -17.463 539 H GLU 68 HN GLU 68 214.621 6.490 -14.142 540 HA GLU 68 HA GLU 68 216.703 6.135 -12.396 541 HB2 GLU 68 HB2 GLU 68 215.918 8.812 -13.545 542 HB3 GLU 68 HB1 GLU 68 217.531 8.280 -13.090 543 HG2 GLU 68 HG2 GLU 68 216.792 6.384 -14.912 544 HG3 GLU 68 HG1 GLU 68 216.030 7.840 -15.551 545 H GLN 69 HN GLN 69 214.018 8.440 -12.061 546 HA GLN 69 HA GLN 69 214.869 9.011 -9.325 547 HB2 GLN 69 HB2 GLN 69 212.572 10.365 -10.690 548 HB3 GLN 69 HB1 GLN 69 213.660 10.987 -9.464 549 HG2 GLN 69 HG2 GLN 69 215.418 11.267 -11.041 550 HG3 GLN 69 HG1 GLN 69 214.513 10.401 -12.282 551 HE21 GLN 69 HE21 GLN 69 212.620 11.402 -13.148 552 HE22 GLN 69 HE22 GLN 69 212.470 13.123 -13.153 553 H ILE 70 HN ILE 70 213.509 8.631 -7.563 554 HA ILE 70 HA ILE 70 211.653 6.480 -7.933 555 HB ILE 70 HB ILE 70 211.793 7.902 -5.319 556 HG12 ILE 70 HG12 ILE 70 214.121 7.864 -6.027 557 HG13 ILE 70 HG11 ILE 70 213.862 6.670 -4.763 558 HG21 ILE 70 HG21 ILE 70 212.152 4.998 -5.541 559 HG22 ILE 70 HG22 ILE 70 210.620 5.607 -6.167 560 HG23 ILE 70 HG23 ILE 70 211.083 5.932 -4.496 561 HD11 ILE 70 HD11 ILE 70 214.663 5.085 -6.072 562 HD12 ILE 70 HD12 ILE 70 214.975 6.292 -7.319 563 HD13 ILE 70 HD13 ILE 70 213.434 5.434 -7.288 564 H GLU 71 HN GLU 71 209.508 6.422 -7.658 565 HA GLU 71 HA GLU 71 208.037 8.911 -7.203 566 HB2 GLU 71 HB2 GLU 71 206.540 8.331 -9.165 567 HB3 GLU 71 HB1 GLU 71 208.144 8.928 -9.567 568 HG2 GLU 71 HG2 GLU 71 208.119 6.051 -9.335 569 HG3 GLU 71 HG1 GLU 71 206.932 6.619 -10.508 570 H THR 72 HN THR 72 205.637 8.475 -7.057 571 HA THR 72 HA THR 72 205.224 5.953 -5.606 572 HB THR 72 HB THR 72 203.336 7.162 -4.498 573 HG1 THR 72 HG1 THR 72 204.446 9.449 -5.748 574 HG21 THR 72 HG21 THR 72 205.584 7.082 -3.454 575 HG22 THR 72 HG22 THR 72 204.639 8.507 -3.020 576 HG23 THR 72 HG23 THR 72 205.938 8.638 -4.205 577 H GLN 73 HN GLN 73 203.541 4.621 -6.096 578 HA GLN 73 HA GLN 73 201.390 5.384 -7.821 579 HB2 GLN 73 HB2 GLN 73 202.519 3.165 -9.216 580 HB3 GLN 73 HB1 GLN 73 202.183 4.779 -9.821 581 HG2 GLN 73 HG2 GLN 73 204.369 5.531 -9.249 582 HG3 GLN 73 HG1 GLN 73 204.712 4.040 -8.374 583 HE21 GLN 73 HE21 GLN 73 204.242 2.035 -9.864 584 HE22 GLN 73 HE22 GLN 73 205.014 2.107 -11.408 585 HA PRO 74 HA PRO 74 199.220 2.031 -5.975 586 HB2 PRO 74 HB2 PRO 74 198.382 0.531 -8.170 587 HB3 PRO 74 HB1 PRO 74 197.525 1.908 -7.474 588 HG2 PRO 74 HG2 PRO 74 199.338 1.798 -9.837 589 HG3 PRO 74 HG1 PRO 74 197.862 2.751 -9.593 590 HD2 PRO 74 HD2 PRO 74 200.282 3.876 -9.420 591 HD3 PRO 74 HD1 PRO 74 198.963 4.361 -8.333 592 H PHE 75 HN PHE 75 199.754 0.094 -5.092 593 HA PHE 75 HA PHE 75 202.233 -1.082 -5.662 594 HB2 PHE 75 HB2 PHE 75 201.092 -1.217 -3.471 595 HB3 PHE 75 HB1 PHE 75 199.890 -2.292 -4.179 596 HD1 PHE 75 HD2 PHE 75 203.446 -1.968 -3.261 597 HD2 PHE 75 HD1 PHE 75 200.329 -4.597 -4.479 598 HE1 PHE 75 HE2 PHE 75 204.875 -3.901 -2.735 599 HE2 PHE 75 HE1 PHE 75 201.752 -6.534 -3.955 600 HZ PHE 75 HZ PHE 75 204.029 -6.187 -3.083 601 H ASP 76 HN ASP 76 202.863 -2.655 -7.003 602 HA ASP 76 HA ASP 76 200.780 -4.138 -8.466 603 HB2 ASP 76 HB2 ASP 76 202.965 -2.506 -9.455 604 HB3 ASP 76 HB1 ASP 76 203.076 -4.154 -10.067 605 HA PRO 77 HA PRO 77 202.771 -7.712 -6.738 606 HB2 PRO 77 HB2 PRO 77 201.645 -9.606 -8.326 607 HB3 PRO 77 HB1 PRO 77 200.775 -8.809 -7.010 608 HG2 PRO 77 HG2 PRO 77 200.712 -8.231 -9.947 609 HG3 PRO 77 HG1 PRO 77 199.367 -8.311 -8.794 610 HD2 PRO 77 HD2 PRO 77 200.434 -5.966 -9.612 611 HD3 PRO 77 HD1 PRO 77 199.772 -6.190 -7.980 612 H ASN 78 HN ASN 78 202.753 -7.197 -10.238 613 HA ASN 78 HA ASN 78 205.019 -8.970 -10.603 614 HB2 ASN 78 HB2 ASN 78 203.151 -7.501 -12.398 615 HB3 ASN 78 HB1 ASN 78 204.741 -7.916 -13.030 616 HD21 ASN 78 HD21 ASN 78 201.677 -9.108 -11.970 617 HD22 ASN 78 HD22 ASN 78 201.894 -10.740 -12.494 618 H ASN 79 HN ASN 79 204.762 -5.893 -9.492 619 HA ASN 79 HA ASN 79 207.180 -4.960 -10.876 620 HB2 ASN 79 HB2 ASN 79 204.904 -3.598 -10.560 621 HB3 ASN 79 HB1 ASN 79 205.680 -3.163 -9.040 622 HD21 ASN 79 HD21 ASN 79 207.251 -1.672 -9.039 623 HD22 ASN 79 HD22 ASN 79 207.880 -0.905 -10.454 624 HA PRO 80 HA PRO 80 209.032 -6.091 -6.884 625 HB2 PRO 80 HB2 PRO 80 211.569 -6.164 -8.261 626 HB3 PRO 80 HB1 PRO 80 210.642 -7.506 -7.592 627 HG2 PRO 80 HG2 PRO 80 211.041 -7.107 -10.272 628 HG3 PRO 80 HG1 PRO 80 209.662 -7.990 -9.595 629 HD2 PRO 80 HD2 PRO 80 209.809 -5.171 -10.591 630 HD3 PRO 80 HD1 PRO 80 208.514 -6.372 -10.784 631 H LYS 81 HN LYS 81 208.757 -3.273 -8.164 632 HA LYS 81 HA LYS 81 211.033 -2.066 -6.756 633 HB2 LYS 81 HB2 LYS 81 209.634 -1.319 -9.299 634 HB3 LYS 81 HB1 LYS 81 210.453 -0.094 -8.355 635 HG2 LYS 81 HG2 LYS 81 211.672 -2.539 -9.604 636 HG3 LYS 81 HG1 LYS 81 211.934 -0.857 -10.066 637 HD2 LYS 81 HD2 LYS 81 212.833 -0.504 -7.719 638 HD3 LYS 81 HD1 LYS 81 212.833 -2.262 -7.562 639 HE2 LYS 81 HE2 LYS 81 214.497 -2.536 -9.139 640 HE3 LYS 81 HE1 LYS 81 214.155 -0.991 -9.918 641 HZ1 LYS 81 HZ1 LYS 81 216.250 -1.055 -8.605 642 HZ2 LYS 81 HZ2 LYS 81 215.323 -1.234 -7.202 643 HZ3 LYS 81 HZ3 LYS 81 215.180 0.169 -8.135 644 H ARG 82 HN ARG 82 207.622 -2.329 -7.026 645 HA ARG 82 HA ARG 82 207.057 0.148 -5.629 646 HB2 ARG 82 HB2 ARG 82 205.428 -1.980 -6.933 647 HB3 ARG 82 HB1 ARG 82 204.669 -0.945 -5.733 648 HG2 ARG 82 HG2 ARG 82 205.286 1.023 -7.022 649 HG3 ARG 82 HG1 ARG 82 206.066 -0.005 -8.226 650 HD2 ARG 82 HD2 ARG 82 203.371 -0.883 -7.730 651 HD3 ARG 82 HD1 ARG 82 203.398 0.828 -8.154 652 HE ARG 82 HE ARG 82 204.949 -0.898 -9.881 653 HH11 ARG 82 HH11 ARG 82 201.869 0.652 -9.322 654 HH12 ARG 82 HH12 ARG 82 201.386 0.567 -10.982 655 HH21 ARG 82 HH21 ARG 82 204.310 -1.010 -12.064 656 HH22 ARG 82 HH22 ARG 82 202.768 -0.377 -12.537 657 H ALA 83 HN ALA 83 208.470 -2.281 -4.373 658 HA ALA 83 HA ALA 83 206.743 -2.371 -1.985 659 HB1 ALA 83 HB1 ALA 83 208.377 -4.714 -2.103 660 HB2 ALA 83 HB2 ALA 83 207.453 -4.563 -3.598 661 HB3 ALA 83 HB3 ALA 83 206.620 -4.584 -2.044 662 H TRP 84 HN TRP 84 207.818 -0.905 -0.762 663 HA TRP 84 HA TRP 84 210.705 -1.322 -0.399 664 HB2 TRP 84 HB2 TRP 84 208.995 1.120 0.084 665 HB3 TRP 84 HB1 TRP 84 210.717 1.017 0.447 666 HD1 TRP 84 HD1 TRP 84 208.368 0.717 -2.623 667 HE1 TRP 84 HE1 TRP 84 209.675 1.494 -4.699 668 HE3 TRP 84 HE3 TRP 84 212.909 1.541 -0.446 669 HZ2 TRP 84 HZ2 TRP 84 212.280 2.359 -5.317 670 HZ3 TRP 84 HZ3 TRP 84 214.758 2.342 -1.847 671 HH2 TRP 84 HH2 TRP 84 214.450 2.742 -4.236 672 H ILE 85 HN ILE 85 211.565 -1.770 1.513 673 HA ILE 85 HA ILE 85 209.731 -1.999 3.816 674 HB ILE 85 HB ILE 85 211.354 -3.699 4.692 675 HG12 ILE 85 HG12 ILE 85 212.431 -4.312 2.042 676 HG13 ILE 85 HG11 ILE 85 212.987 -2.761 2.662 677 HG21 ILE 85 HG21 ILE 85 210.195 -4.476 2.025 678 HG22 ILE 85 HG22 ILE 85 209.222 -4.233 3.476 679 HG23 ILE 85 HG23 ILE 85 210.448 -5.501 3.438 680 HD11 ILE 85 HD11 ILE 85 213.504 -5.503 3.660 681 HD12 ILE 85 HD12 ILE 85 213.441 -4.184 4.830 682 HD13 ILE 85 HD13 ILE 85 214.596 -4.128 3.498 683 H VAL 86 HN VAL 86 210.614 -1.492 5.931 684 HA VAL 86 HA VAL 86 212.699 0.559 5.747 685 HB VAL 86 HB VAL 86 210.948 0.068 8.142 686 HG11 VAL 86 HG11 VAL 86 213.113 1.643 7.875 687 HG12 VAL 86 HG12 VAL 86 211.770 2.002 8.960 688 HG13 VAL 86 HG13 VAL 86 211.850 2.765 7.372 689 HG21 VAL 86 HG21 VAL 86 209.655 2.096 7.110 690 HG22 VAL 86 HG22 VAL 86 209.270 0.449 6.610 691 HG23 VAL 86 HG23 VAL 86 210.287 1.466 5.589 692 H SER 87 HN SER 87 214.648 0.206 6.537 693 HA SER 87 HA SER 87 215.022 -2.016 8.438 694 HB2 SER 87 HB2 SER 87 216.018 -2.545 6.266 695 HB3 SER 87 HB1 SER 87 216.924 -1.033 6.295 696 HG SER 87 HG SER 87 217.989 -1.825 8.178 697 H GLY 88 HN GLY 88 214.939 -0.797 10.312 698 HA2 GLY 88 HA2 GLY 88 215.874 0.428 12.017 699 HA3 GLY 88 HA1 GLY 88 217.334 0.552 11.046 700 H ASN 89 HN ASN 89 217.762 2.388 9.960 701 HA ASN 89 HA ASN 89 215.766 4.545 10.155 702 HB2 ASN 89 HB2 ASN 89 217.596 6.104 10.479 703 HB3 ASN 89 HB1 ASN 89 217.720 4.817 11.673 704 HD21 ASN 89 HD21 ASN 89 218.895 5.729 8.446 705 HD22 ASN 89 HD22 ASN 89 220.465 5.038 8.636 706 H THR 90 HN THR 90 216.233 2.651 7.932 707 HA THR 90 HA THR 90 216.656 4.658 5.870 708 HB THR 90 HB THR 90 218.042 2.670 4.736 709 HG1 THR 90 HG1 THR 90 217.957 1.361 6.592 710 HG21 THR 90 HG21 THR 90 218.738 5.111 6.060 711 HG22 THR 90 HG22 THR 90 219.483 4.341 4.659 712 HG23 THR 90 HG23 THR 90 220.000 3.900 6.287 713 H ILE 91 HN ILE 91 215.719 4.236 3.922 714 HA ILE 91 HA ILE 91 213.675 2.135 3.921 715 HB ILE 91 HB ILE 91 214.050 4.273 1.821 716 HG12 ILE 91 HG12 ILE 91 213.860 5.426 3.950 717 HG13 ILE 91 HG11 ILE 91 212.348 5.592 3.062 718 HG21 ILE 91 HG21 ILE 91 212.588 2.331 1.323 719 HG22 ILE 91 HG22 ILE 91 211.729 3.871 1.331 720 HG23 ILE 91 HG23 ILE 91 211.586 2.775 2.704 721 HD11 ILE 91 HD11 ILE 91 212.806 3.554 5.223 722 HD12 ILE 91 HD12 ILE 91 211.280 3.971 4.443 723 HD13 ILE 91 HD13 ILE 91 212.084 5.140 5.491 724 H ALA 92 HN ALA 92 214.082 0.269 2.913 725 HA ALA 92 HA ALA 92 216.050 0.302 0.716 726 HB1 ALA 92 HB1 ALA 92 216.754 -0.757 2.944 727 HB2 ALA 92 HB2 ALA 92 217.036 -1.671 1.463 728 HB3 ALA 92 HB3 ALA 92 215.669 -2.076 2.502 729 H GLN 93 HN GLN 93 215.722 -0.983 -1.037 730 HA GLN 93 HA GLN 93 213.066 -1.535 -1.807 731 HB2 GLN 93 HB2 GLN 93 215.281 -1.061 -3.162 732 HB3 GLN 93 HB1 GLN 93 215.396 -2.813 -3.169 733 HG2 GLN 93 HG2 GLN 93 214.127 -2.772 -4.977 734 HG3 GLN 93 HG1 GLN 93 212.788 -2.335 -3.917 735 HE21 GLN 93 HE21 GLN 93 215.597 -0.402 -4.831 736 HE22 GLN 93 HE22 GLN 93 214.705 0.851 -5.614 737 H LEU 94 HN LEU 94 212.026 -3.482 -2.196 738 HA LEU 94 HA LEU 94 212.378 -5.507 -0.300 739 HB2 LEU 94 HB2 LEU 94 210.610 -6.681 -1.371 740 HB3 LEU 94 HB1 LEU 94 210.238 -4.976 -1.453 741 HG LEU 94 HG LEU 94 211.381 -6.556 -3.760 742 HD11 LEU 94 HD11 LEU 94 208.717 -6.513 -2.706 743 HD12 LEU 94 HD12 LEU 94 209.377 -7.432 -4.058 744 HD13 LEU 94 HD13 LEU 94 208.752 -5.805 -4.321 745 HD21 LEU 94 HD21 LEU 94 210.698 -3.730 -3.341 746 HD22 LEU 94 HD22 LEU 94 210.066 -4.433 -4.820 747 HD23 LEU 94 HD23 LEU 94 211.797 -4.465 -4.499 748 H SER 95 HN SER 95 212.972 -5.714 -3.827 749 HA SER 95 HA SER 95 214.282 -8.241 -3.551 750 HB2 SER 95 HB2 SER 95 214.547 -8.179 -5.936 751 HB3 SER 95 HB1 SER 95 212.947 -7.542 -5.555 752 HG SER 95 HG SER 95 214.899 -6.365 -6.908 753 H ASP 96 HN ASP 96 215.386 -5.179 -2.891 754 HA ASP 96 HA ASP 96 218.149 -6.073 -3.260 755 HB2 ASP 96 HB2 ASP 96 217.016 -3.405 -4.105 756 HB3 ASP 96 HB1 ASP 96 218.740 -3.687 -3.884 757 H ARG 97 HN ARG 97 218.180 -6.530 -1.027 758 HA ARG 97 HA ARG 97 217.505 -4.627 0.959 759 HB2 ARG 97 HB2 ARG 97 218.848 -7.260 0.864 760 HB3 ARG 97 HB1 ARG 97 219.302 -6.230 2.215 761 HG2 ARG 97 HG2 ARG 97 217.546 -7.269 3.177 762 HG3 ARG 97 HG1 ARG 97 216.656 -5.971 2.380 763 HD2 ARG 97 HD2 ARG 97 215.435 -7.795 1.714 764 HD3 ARG 97 HD1 ARG 97 216.586 -7.668 0.383 765 HE ARG 97 HE ARG 97 217.344 -9.730 0.963 766 HH11 ARG 97 HH11 ARG 97 215.932 -8.270 3.801 767 HH12 ARG 97 HH12 ARG 97 216.187 -9.664 4.797 768 HH21 ARG 97 HH21 ARG 97 217.681 -11.562 2.272 769 HH22 ARG 97 HH22 ARG 97 217.182 -11.532 3.930 770 H ASP 98 HN ASP 98 220.166 -4.980 -1.146 771 HA ASP 98 HA ASP 98 221.963 -3.392 0.516 772 HB2 ASP 98 HB2 ASP 98 222.243 -5.022 -1.960 773 HB3 ASP 98 HB1 ASP 98 223.347 -3.665 -1.760 774 H ILE 99 HN ILE 99 219.379 -2.610 -1.102 775 HA ILE 99 HA ILE 99 220.511 -0.148 -2.251 776 HB ILE 99 HB ILE 99 218.240 -1.871 -3.222 777 HG12 ILE 99 HG12 ILE 99 220.572 -2.215 -4.071 778 HG13 ILE 99 HG11 ILE 99 219.404 -1.807 -5.324 779 HG21 ILE 99 HG21 ILE 99 217.988 0.129 -4.913 780 HG22 ILE 99 HG22 ILE 99 218.586 1.064 -3.542 781 HG23 ILE 99 HG23 ILE 99 217.112 0.109 -3.382 782 HD11 ILE 99 HD11 ILE 99 220.545 0.604 -4.361 783 HD12 ILE 99 HD12 ILE 99 220.677 -0.122 -5.962 784 HD13 ILE 99 HD13 ILE 99 221.847 -0.533 -4.708 785 H VAL 100 HN VAL 100 219.820 1.670 -1.280 786 HA VAL 100 HA VAL 100 217.201 1.707 -0.003 787 HB VAL 100 HB VAL 100 218.024 2.599 2.091 788 HG11 VAL 100 HG11 VAL 100 218.255 0.558 2.962 789 HG12 VAL 100 HG12 VAL 100 219.737 0.248 2.058 790 HG13 VAL 100 HG13 VAL 100 218.171 -0.030 1.306 791 HG21 VAL 100 HG21 VAL 100 220.010 3.728 1.487 792 HG22 VAL 100 HG22 VAL 100 220.733 2.259 0.830 793 HG23 VAL 100 HG23 VAL 100 220.504 2.427 2.571 794 H LEU 101 HN LEU 101 216.194 3.621 -0.148 795 HA LEU 101 HA LEU 101 216.989 5.592 -1.869 796 HB2 LEU 101 HB2 LEU 101 215.277 6.052 0.558 797 HB3 LEU 101 HB1 LEU 101 215.311 7.027 -0.887 798 HG LEU 101 HG LEU 101 214.561 4.147 -1.036 799 HD11 LEU 101 HD11 LEU 101 212.439 6.210 -0.806 800 HD12 LEU 101 HD12 LEU 101 213.202 5.626 0.672 801 HD13 LEU 101 HD13 LEU 101 212.393 4.492 -0.410 802 HD21 LEU 101 HD21 LEU 101 214.446 6.526 -2.773 803 HD22 LEU 101 HD22 LEU 101 213.072 5.423 -2.857 804 HD23 LEU 101 HD23 LEU 101 214.700 4.830 -3.184 805 H ASP 102 HN ASP 102 217.641 7.692 -1.675 806 HA ASP 102 HA ASP 102 219.010 8.557 0.722 807 HB2 ASP 102 HB2 ASP 102 220.613 7.063 -0.338 808 HB3 ASP 102 HB1 ASP 102 220.435 7.924 -1.858 809 H ILE 103 HN ILE 103 220.036 10.734 0.345 810 HA ILE 103 HA ILE 103 218.227 12.363 -1.251 811 HB ILE 103 HB ILE 103 220.450 13.266 0.585 812 HG12 ILE 103 HG12 ILE 103 218.160 13.884 1.894 813 HG13 ILE 103 HG11 ILE 103 217.667 12.396 1.092 814 HG21 ILE 103 HG21 ILE 103 219.867 15.395 0.161 815 HG22 ILE 103 HG22 ILE 103 218.147 15.013 0.067 816 HG23 ILE 103 HG23 ILE 103 219.192 14.724 -1.324 817 HD11 ILE 103 HD11 ILE 103 218.989 11.111 2.379 818 HD12 ILE 103 HD12 ILE 103 218.836 12.470 3.493 819 HD13 ILE 103 HD13 ILE 103 220.267 12.323 2.471 820 H ILE 104 HN ILE 104 218.730 13.051 -3.260 821 HA ILE 104 HA ILE 104 221.241 12.431 -4.424 822 HB ILE 104 HB ILE 104 219.156 12.530 -5.726 823 HG12 ILE 104 HG12 ILE 104 220.777 14.634 -7.026 824 HG13 ILE 104 HG11 ILE 104 221.652 13.184 -6.543 825 HG21 ILE 104 HG21 ILE 104 218.634 14.845 -4.447 826 HG22 ILE 104 HG22 ILE 104 217.854 14.352 -5.950 827 HG23 ILE 104 HG23 ILE 104 219.228 15.458 -5.990 828 HD11 ILE 104 HD11 ILE 104 219.269 13.330 -8.371 829 HD12 ILE 104 HD12 ILE 104 220.021 11.834 -7.816 830 HD13 ILE 104 HD13 ILE 104 220.936 12.963 -8.816 831 H LYS 105 HN LYS 105 222.972 13.660 -4.904 832 HA LYS 105 HA LYS 105 224.409 15.430 -4.973 833 HB2 LYS 105 HB2 LYS 105 222.029 16.651 -5.432 834 HB3 LYS 105 HB1 LYS 105 222.526 17.455 -3.949 835 HG2 LYS 105 HG2 LYS 105 223.292 18.763 -5.778 836 HG3 LYS 105 HG1 LYS 105 224.700 17.985 -5.051 837 HD2 LYS 105 HD2 LYS 105 223.945 16.149 -6.929 838 HD3 LYS 105 HD1 LYS 105 223.543 17.672 -7.725 839 HE2 LYS 105 HE2 LYS 105 226.189 17.392 -6.382 840 HE3 LYS 105 HE1 LYS 105 225.940 16.619 -7.947 841 HZ1 LYS 105 HZ1 LYS 105 226.762 18.705 -8.477 842 HZ2 LYS 105 HZ2 LYS 105 225.865 19.493 -7.279 843 HZ3 LYS 105 HZ3 LYS 105 225.092 18.907 -8.665 844 H SER 106 HN SER 106 222.798 14.369 -2.234 845 HA SER 106 HA SER 106 223.138 14.571 0.015 846 HB2 SER 106 HB2 SER 106 226.018 15.057 -0.750 847 HB3 SER 106 HB1 SER 106 225.400 14.262 0.698 848 HG SER 106 HG SER 106 225.087 13.290 -1.951 849 H ASP 107 HN ASP 107 222.530 17.066 -1.413 850 HA ASP 107 HA ASP 107 224.010 19.048 0.157 851 HB2 ASP 107 HB2 ASP 107 222.793 19.030 -2.465 852 HB3 ASP 107 HB1 ASP 107 222.171 20.370 -1.508 853 H LYS 108 HN LYS 108 222.778 20.828 1.136 854 HA LYS 108 HA LYS 108 220.617 19.791 2.727 855 HB2 LYS 108 HB2 LYS 108 222.538 21.868 2.955 856 HB3 LYS 108 HB1 LYS 108 220.952 22.617 3.067 857 HG2 LYS 108 HG2 LYS 108 220.999 22.066 5.217 858 HG3 LYS 108 HG1 LYS 108 220.717 20.407 4.689 859 HD2 LYS 108 HD2 LYS 108 222.638 19.898 5.709 860 HD3 LYS 108 HD1 LYS 108 223.444 20.731 4.379 861 HE2 LYS 108 HE2 LYS 108 223.607 22.741 5.613 862 HE3 LYS 108 HE1 LYS 108 222.481 22.165 6.841 863 HZ1 LYS 108 HZ1 LYS 108 225.299 21.413 6.418 864 HZ2 LYS 108 HZ2 LYS 108 224.251 20.358 7.222 865 HZ3 LYS 108 HZ3 LYS 108 224.529 21.906 7.842 866 H GLU 109 HN GLU 109 220.841 21.424 -0.234 867 HA GLU 109 HA GLU 109 218.721 23.163 -0.320 868 HB2 GLU 109 HB2 GLU 109 218.595 22.732 -2.709 869 HB3 GLU 109 HB1 GLU 109 220.275 22.776 -2.191 870 HG2 GLU 109 HG2 GLU 109 220.245 20.287 -2.121 871 HG3 GLU 109 HG1 GLU 109 218.631 20.340 -2.828 872 H ALA 110 HN ALA 110 216.612 22.995 0.016 873 HA ALA 110 HA ALA 110 215.378 20.458 0.495 874 HB1 ALA 110 HB1 ALA 110 214.380 21.973 1.849 875 HB2 ALA 110 HB2 ALA 110 213.285 22.129 0.475 876 HB3 ALA 110 HB3 ALA 110 214.586 23.298 0.702 877 H GLY 111 HN GLY 111 213.337 19.782 -0.570 878 HA2 GLY 111 HA2 GLY 111 212.072 19.283 -2.420 879 HA3 GLY 111 HA1 GLY 111 212.661 20.768 -3.155 880 H ALA 112 HN ALA 112 215.042 18.572 -2.019 881 HA ALA 112 HA ALA 112 215.974 18.145 -4.712 882 HB1 ALA 112 HB1 ALA 112 217.546 18.614 -2.892 883 HB2 ALA 112 HB2 ALA 112 217.884 17.063 -3.660 884 HB3 ALA 112 HB3 ALA 112 217.070 17.114 -2.097 885 H HIS 113 HN HIS 113 215.880 16.324 -5.890 886 HA HIS 113 HA HIS 113 213.927 14.384 -5.325 887 HB2 HIS 113 HB2 HIS 113 215.902 14.885 -7.446 888 HB3 HIS 113 HB1 HIS 113 215.494 13.187 -7.225 889 HD1 HIS 113 HD1 HIS 113 214.118 12.907 -9.330 890 HD2 HIS 113 HD2 HIS 113 212.809 16.042 -6.939 891 HE1 HIS 113 HE1 HIS 113 211.918 13.628 -10.312 892 HE2 HIS 113 HE2 HIS 113 211.184 15.579 -8.897 893 H ILE 114 HN ILE 114 214.481 11.965 -5.447 894 HA ILE 114 HA ILE 114 216.890 11.299 -3.952 895 HB ILE 114 HB ILE 114 215.287 9.703 -2.620 896 HG12 ILE 114 HG12 ILE 114 213.498 11.992 -3.423 897 HG13 ILE 114 HG11 ILE 114 213.200 10.268 -3.620 898 HG21 ILE 114 HG21 ILE 114 216.552 12.180 -2.123 899 HG22 ILE 114 HG22 ILE 114 216.148 10.912 -0.967 900 HG23 ILE 114 HG23 ILE 114 214.997 12.207 -1.294 901 HD11 ILE 114 HD11 ILE 114 213.352 10.254 -1.015 902 HD12 ILE 114 HD12 ILE 114 211.870 10.757 -1.828 903 HD13 ILE 114 HD13 ILE 114 212.983 11.969 -1.193 904 H CYS 115 HN CYS 115 217.279 8.925 -3.886 905 HA CYS 115 HA CYS 115 215.836 7.294 -5.754 906 HB2 CYS 115 HB2 CYS 115 217.990 6.759 -7.005 907 HB3 CYS 115 HB1 CYS 115 217.239 8.308 -7.371 908 HG CYS 115 HG CYS 115 219.161 9.103 -5.434 909 H ALA 116 HN ALA 116 217.028 5.056 -5.872 910 HA ALA 116 HA ALA 116 217.814 4.425 -3.124 911 HB1 ALA 116 HB1 ALA 116 216.813 2.442 -3.392 912 HB2 ALA 116 HB2 ALA 116 217.536 2.192 -4.982 913 HB3 ALA 116 HB3 ALA 116 216.078 3.165 -4.822 914 H TRP 117 HN TRP 117 219.865 3.997 -2.631 915 HA TRP 117 HA TRP 117 221.671 3.221 -4.812 916 HB2 TRP 117 HB2 TRP 117 222.016 5.591 -4.435 917 HB3 TRP 117 HB1 TRP 117 222.277 5.311 -2.720 918 HD1 TRP 117 HD1 TRP 117 224.678 4.568 -1.967 919 HE1 TRP 117 HE1 TRP 117 226.926 4.324 -3.197 920 HE3 TRP 117 HE3 TRP 117 223.007 4.905 -6.787 921 HZ2 TRP 117 HZ2 TRP 117 227.866 4.280 -5.859 922 HZ3 TRP 117 HZ3 TRP 117 224.645 4.753 -8.617 923 HH2 TRP 117 HH2 TRP 117 227.024 4.447 -8.161 924 H LYS 118 HN LYS 118 223.688 2.327 -4.113 925 HA LYS 118 HA LYS 118 223.352 0.193 -2.319 926 HB2 LYS 118 HB2 LYS 118 225.202 0.873 -4.249 927 HB3 LYS 118 HB1 LYS 118 226.142 0.959 -2.766 928 HG2 LYS 118 HG2 LYS 118 226.368 -1.233 -3.662 929 HG3 LYS 118 HG1 LYS 118 225.363 -1.339 -2.215 930 HD2 LYS 118 HD2 LYS 118 223.600 -2.095 -3.370 931 HD3 LYS 118 HD1 LYS 118 223.815 -0.894 -4.645 932 HE2 LYS 118 HE2 LYS 118 225.041 -2.289 -5.939 933 HE3 LYS 118 HE1 LYS 118 225.805 -3.072 -4.556 934 HZ1 LYS 118 HZ1 LYS 118 222.954 -3.555 -4.967 935 HZ2 LYS 118 HZ2 LYS 118 224.155 -4.597 -4.389 936 HZ3 LYS 118 HZ3 LYS 118 224.027 -4.294 -6.048 937 H GLN 119 HN GLN 119 223.378 0.166 -0.157 938 HA GLN 119 HA GLN 119 223.943 2.428 1.398 939 HB2 GLN 119 HB2 GLN 119 222.543 0.299 1.932 940 HB3 GLN 119 HB1 GLN 119 224.069 -0.351 2.516 941 HG2 GLN 119 HG2 GLN 119 224.263 1.412 4.134 942 HG3 GLN 119 HG1 GLN 119 222.833 2.214 3.486 943 HE21 GLN 119 HE21 GLN 119 224.022 -0.081 5.671 944 HE22 GLN 119 HE22 GLN 119 222.506 -0.690 6.234 945 H HIS 120 HN HIS 120 225.781 3.264 2.104 946 HA HIS 120 HA HIS 120 228.125 1.523 2.395 947 HB2 HIS 120 HB2 HIS 120 229.498 3.491 1.494 948 HB3 HIS 120 HB1 HIS 120 228.589 2.542 0.323 949 HD1 HIS 120 HD1 HIS 120 228.327 5.819 2.212 950 HD2 HIS 120 HD2 HIS 120 226.879 3.992 -1.227 951 HE1 HIS 120 HE1 HIS 120 227.059 7.609 0.983 952 HE2 HIS 120 HE2 HIS 120 226.267 6.503 -1.137 953 H GLY 121 HN GLY 121 226.061 3.201 4.081 954 HA2 GLY 121 HA2 GLY 121 226.222 3.977 6.257 955 HA3 GLY 121 HA1 GLY 121 227.969 3.846 6.141 956 H GLY 122 HN GLY 122 226.758 5.580 3.526 957 HA2 GLY 122 HA2 GLY 122 228.038 7.966 4.251 958 HA3 GLY 122 HA1 GLY 122 226.859 7.800 2.959 959 HA PRO 123 HA PRO 123 225.207 10.057 6.912 960 HB2 PRO 123 HB2 PRO 123 225.649 12.650 6.168 961 HB3 PRO 123 HB1 PRO 123 226.750 11.725 7.195 962 HG2 PRO 123 HG2 PRO 123 226.908 12.274 4.257 963 HG3 PRO 123 HG1 PRO 123 228.199 12.305 5.473 964 HD2 PRO 123 HD2 PRO 123 227.864 10.219 3.803 965 HD3 PRO 123 HD1 PRO 123 228.425 10.003 5.474 966 H ASN 124 HN ASN 124 225.107 10.591 3.462 967 HA ASN 124 HA ASN 124 222.634 12.020 3.440 968 HB2 ASN 124 HB2 ASN 124 222.686 11.524 0.981 969 HB3 ASN 124 HB1 ASN 124 224.131 12.325 1.591 970 HD21 ASN 124 HD21 ASN 124 223.610 10.555 -0.755 971 HD22 ASN 124 HD22 ASN 124 224.798 9.307 -0.637 972 H GLN 125 HN GLN 125 223.303 8.843 4.157 973 HA GLN 125 HA GLN 125 220.733 7.892 3.095 974 HB2 GLN 125 HB2 GLN 125 223.210 6.411 3.975 975 HB3 GLN 125 HB1 GLN 125 221.682 5.605 3.650 976 HG2 GLN 125 HG2 GLN 125 221.755 6.585 1.351 977 HG3 GLN 125 HG1 GLN 125 223.387 7.144 1.713 978 HE21 GLN 125 HE21 GLN 125 222.009 5.002 -0.069 979 HE22 GLN 125 HE22 GLN 125 223.036 3.628 0.132 980 H LYS 126 HN LYS 126 221.407 9.482 5.640 981 HA LYS 126 HA LYS 126 220.339 7.593 7.620 982 HB2 LYS 126 HB2 LYS 126 221.431 10.333 8.222 983 HB3 LYS 126 HB1 LYS 126 221.234 8.974 9.319 984 HG2 LYS 126 HG2 LYS 126 223.073 8.696 6.993 985 HG3 LYS 126 HG1 LYS 126 223.589 9.632 8.397 986 HD2 LYS 126 HD2 LYS 126 222.370 7.037 9.031 987 HD3 LYS 126 HD1 LYS 126 223.885 6.940 8.132 988 HE2 LYS 126 HE2 LYS 126 224.508 8.812 9.990 989 HE3 LYS 126 HE1 LYS 126 223.370 7.814 10.894 990 HZ1 LYS 126 HZ1 LYS 126 225.413 6.394 9.387 991 HZ2 LYS 126 HZ2 LYS 126 224.782 6.075 10.924 992 HZ3 LYS 126 HZ3 LYS 126 225.957 7.276 10.725 993 H PHE 127 HN PHE 127 218.297 7.766 8.321 994 HA PHE 127 HA PHE 127 216.904 10.331 8.019 995 HB2 PHE 127 HB2 PHE 127 215.560 7.696 7.455 996 HB3 PHE 127 HB1 PHE 127 214.956 9.311 7.117 997 HD1 PHE 127 HD2 PHE 127 215.792 10.579 5.214 998 HD2 PHE 127 HD1 PHE 127 217.115 6.609 5.987 999 HE1 PHE 127 HE2 PHE 127 216.692 10.437 2.928 1000 HE2 PHE 127 HE1 PHE 127 218.017 6.460 3.703 1001 HZ PHE 127 HZ PHE 127 217.803 8.375 2.171 1002 H ILE 128 HN ILE 128 215.134 10.620 9.467 1003 HA ILE 128 HA ILE 128 215.308 8.891 11.842 1004 HB ILE 128 HB ILE 128 214.164 11.617 12.061 1005 HG12 ILE 128 HG12 ILE 128 217.145 11.093 11.974 1006 HG13 ILE 128 HG11 ILE 128 216.234 11.939 10.728 1007 HG21 ILE 128 HG21 ILE 128 214.100 10.719 14.124 1008 HG22 ILE 128 HG22 ILE 128 215.778 11.259 14.189 1009 HG23 ILE 128 HG23 ILE 128 215.406 9.583 13.784 1010 HD11 ILE 128 HD11 ILE 128 216.864 13.774 11.831 1011 HD12 ILE 128 HD12 ILE 128 217.219 12.883 13.312 1012 HD13 ILE 128 HD13 ILE 128 215.561 13.358 12.943 1013 H ILE 129 HN ILE 129 213.495 8.093 12.704 1014 HA ILE 129 HA ILE 129 210.996 8.587 11.239 1015 HB ILE 129 HB ILE 129 211.735 6.103 12.784 1016 HG12 ILE 129 HG12 ILE 129 213.209 6.301 10.871 1017 HG13 ILE 129 HG11 ILE 129 212.005 5.059 10.540 1018 HG21 ILE 129 HG21 ILE 129 209.817 5.312 11.126 1019 HG22 ILE 129 HG22 ILE 129 209.348 7.005 11.288 1020 HG23 ILE 129 HG23 ILE 129 209.474 5.983 12.721 1021 HD11 ILE 129 HD11 ILE 129 210.744 6.660 9.185 1022 HD12 ILE 129 HD12 ILE 129 212.387 6.432 8.587 1023 HD13 ILE 129 HD13 ILE 129 211.975 7.883 9.501 1024 H GLU 130 HN GLU 130 209.126 8.997 12.334 1025 HA GLU 130 HA GLU 130 209.174 8.955 15.263 1026 HB2 GLU 130 HB2 GLU 130 209.073 11.329 13.557 1027 HB3 GLU 130 HB1 GLU 130 207.738 11.251 14.699 1028 HG2 GLU 130 HG2 GLU 130 210.370 10.657 15.843 1029 HG3 GLU 130 HG1 GLU 130 210.173 12.300 15.235 1030 H SER 131 HN SER 131 207.559 7.641 15.800 1031 HA SER 131 HA SER 131 205.364 7.069 14.094 1032 HB2 SER 131 HB2 SER 131 206.492 5.775 16.188 1033 HB3 SER 131 HB1 SER 131 205.075 6.465 16.978 1034 HG SER 131 HG SER 131 203.824 5.163 15.880 1035 H GLU 132 HN GLU 132 203.848 8.526 13.649 1036 HA GLU 132 HA GLU 132 203.104 10.579 15.528 1037 HB2 GLU 132 HB2 GLU 132 203.059 10.370 12.780 1038 HB3 GLU 132 HB1 GLU 132 201.358 10.230 13.203 1039 HG2 GLU 132 HG2 GLU 132 202.042 12.539 12.725 1040 HG3 GLU 132 HG1 GLU 132 201.421 12.334 14.362 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 193.113 6.566 9.065 2 H2 MET 1 HT2 MET 1 192.579 4.936 9.009 3 H3 MET 1 HT3 MET 1 194.217 5.293 9.379 4 HA MET 1 HA MET 1 193.324 6.568 11.323 5 HB2 MET 1 HB2 MET 1 190.918 5.313 10.157 6 HB3 MET 1 HB1 MET 1 191.069 5.155 11.902 7 HG2 MET 1 HG2 MET 1 191.256 7.778 10.448 8 HG3 MET 1 HG1 MET 1 189.758 7.129 11.111 9 HE1 MET 1 HE1 MET 1 192.412 9.272 11.314 10 HE2 MET 1 HE2 MET 1 193.477 8.624 12.561 11 HE3 MET 1 HE3 MET 1 192.373 9.945 12.944 12 H LYS 2 HN LYS 2 193.036 3.278 10.088 13 HA LYS 2 HA LYS 2 193.728 2.134 12.664 14 HB2 LYS 2 HB2 LYS 2 192.289 1.224 10.465 15 HB3 LYS 2 HB1 LYS 2 193.778 0.290 10.413 16 HG2 LYS 2 HG2 LYS 2 193.238 -0.012 12.989 17 HG3 LYS 2 HG1 LYS 2 191.595 0.279 12.416 18 HD2 LYS 2 HD2 LYS 2 192.707 -1.525 10.591 19 HD3 LYS 2 HD1 LYS 2 193.231 -2.086 12.180 20 HE2 LYS 2 HE2 LYS 2 191.093 -2.512 12.887 21 HE3 LYS 2 HE1 LYS 2 190.385 -1.298 11.822 22 HZ1 LYS 2 HZ1 LYS 2 190.208 -3.888 11.355 23 HZ2 LYS 2 HZ2 LYS 2 191.658 -3.583 10.540 24 HZ3 LYS 2 HZ3 LYS 2 190.254 -2.744 10.110 25 HA PRO 3 HA PRO 3 197.569 0.810 9.843 26 HB2 PRO 3 HB2 PRO 3 197.512 3.215 8.087 27 HB3 PRO 3 HB1 PRO 3 197.972 1.553 7.704 28 HG2 PRO 3 HG2 PRO 3 195.634 2.535 6.894 29 HG3 PRO 3 HG1 PRO 3 195.773 0.859 7.460 30 HD2 PRO 3 HD2 PRO 3 194.641 3.245 8.853 31 HD3 PRO 3 HD1 PRO 3 194.108 1.553 8.896 32 H LYS 4 HN LYS 4 199.387 1.278 10.911 33 HA LYS 4 HA LYS 4 199.595 3.725 12.406 34 HB2 LYS 4 HB2 LYS 4 201.486 1.386 12.113 35 HB3 LYS 4 HB1 LYS 4 201.746 2.739 13.205 36 HG2 LYS 4 HG2 LYS 4 199.350 0.923 13.313 37 HG3 LYS 4 HG1 LYS 4 200.806 0.710 14.286 38 HD2 LYS 4 HD2 LYS 4 199.139 3.221 14.291 39 HD3 LYS 4 HD1 LYS 4 198.927 1.901 15.444 40 HE2 LYS 4 HE2 LYS 4 200.400 3.045 16.693 41 HE3 LYS 4 HE1 LYS 4 201.603 2.335 15.617 42 HZ1 LYS 4 HZ1 LYS 4 202.133 4.542 15.493 43 HZ2 LYS 4 HZ2 LYS 4 200.535 5.069 15.663 44 HZ3 LYS 4 HZ3 LYS 4 201.061 4.428 14.189 45 H PHE 5 HN PHE 5 200.186 5.540 11.411 46 HA PHE 5 HA PHE 5 202.052 5.439 9.176 47 HB2 PHE 5 HB2 PHE 5 200.678 7.885 10.289 48 HB3 PHE 5 HB1 PHE 5 201.385 7.677 8.689 49 HD1 PHE 5 HD1 PHE 5 200.323 5.866 7.186 50 HD2 PHE 5 HD2 PHE 5 198.415 7.530 10.606 51 HE1 PHE 5 HE1 PHE 5 198.139 5.138 6.317 52 HE2 PHE 5 HE2 PHE 5 196.227 6.808 9.742 53 HZ PHE 5 HZ PHE 5 196.087 5.610 7.595 54 H PHE 6 HN PHE 6 203.627 7.468 9.153 55 HA PHE 6 HA PHE 6 204.646 8.176 11.766 56 HB2 PHE 6 HB2 PHE 6 206.917 7.056 10.385 57 HB3 PHE 6 HB1 PHE 6 206.356 6.771 12.020 58 HD1 PHE 6 HD1 PHE 6 204.732 4.931 12.452 59 HD2 PHE 6 HD2 PHE 6 206.565 5.506 8.656 60 HE1 PHE 6 HE1 PHE 6 204.147 2.626 11.824 61 HE2 PHE 6 HE2 PHE 6 205.980 3.205 8.019 62 HZ PHE 6 HZ PHE 6 204.769 1.760 9.604 63 H TYR 7 HN TYR 7 206.888 9.269 11.488 64 HA TYR 7 HA TYR 7 206.690 11.013 9.139 65 HB2 TYR 7 HB2 TYR 7 207.430 11.517 11.992 66 HB3 TYR 7 HB1 TYR 7 208.155 12.519 10.743 67 HD1 TYR 7 HD1 TYR 7 206.544 13.712 9.119 68 HD2 TYR 7 HD2 TYR 7 205.320 12.031 12.830 69 HE1 TYR 7 HE1 TYR 7 204.540 15.137 9.098 70 HE2 TYR 7 HE2 TYR 7 203.313 13.449 12.819 71 HH TYR 7 HH TYR 7 201.901 14.630 11.071 72 H ILE 8 HN ILE 8 208.312 10.902 7.710 73 HA ILE 8 HA ILE 8 210.815 9.619 8.574 74 HB ILE 8 HB ILE 8 210.728 9.868 5.730 75 HG12 ILE 8 HG12 ILE 8 208.255 9.975 6.019 76 HG13 ILE 8 HG11 ILE 8 208.783 8.534 5.159 77 HG21 ILE 8 HG21 ILE 8 211.194 7.564 5.776 78 HG22 ILE 8 HG22 ILE 8 210.384 7.348 7.327 79 HG23 ILE 8 HG23 ILE 8 211.917 8.216 7.247 80 HD11 ILE 8 HD11 ILE 8 207.130 8.683 7.409 81 HD12 ILE 8 HD12 ILE 8 208.653 7.989 7.964 82 HD13 ILE 8 HD13 ILE 8 207.774 7.237 6.633 83 H LYS 9 HN LYS 9 212.247 11.127 9.128 84 HA LYS 9 HA LYS 9 212.410 13.585 7.541 85 HB2 LYS 9 HB2 LYS 9 212.025 14.021 9.841 86 HB3 LYS 9 HB1 LYS 9 213.262 12.875 10.337 87 HG2 LYS 9 HG2 LYS 9 214.875 14.395 10.195 88 HG3 LYS 9 HG1 LYS 9 214.305 14.978 8.630 89 HD2 LYS 9 HD2 LYS 9 213.144 16.658 9.542 90 HD3 LYS 9 HD1 LYS 9 212.568 15.660 10.878 91 HE2 LYS 9 HE2 LYS 9 215.093 15.855 11.638 92 HE3 LYS 9 HE1 LYS 9 215.027 17.325 10.668 93 HZ1 LYS 9 HZ1 LYS 9 214.294 18.200 12.589 94 HZ2 LYS 9 HZ2 LYS 9 213.754 16.720 13.204 95 HZ3 LYS 9 HZ3 LYS 9 212.799 17.574 12.100 96 H SER 10 HN SER 10 214.234 14.163 6.477 97 HA SER 10 HA SER 10 216.280 12.192 6.073 98 HB2 SER 10 HB2 SER 10 215.673 14.906 4.967 99 HB3 SER 10 HB1 SER 10 217.307 14.270 4.782 100 HG SER 10 HG SER 10 215.328 13.763 3.229 101 H GLU 11 HN GLU 11 217.751 11.874 7.602 102 HA GLU 11 HA GLU 11 218.418 13.712 9.616 103 HB2 GLU 11 HB2 GLU 11 218.681 11.334 9.970 104 HB3 GLU 11 HB1 GLU 11 219.861 11.234 8.673 105 HG2 GLU 11 HG2 GLU 11 221.542 11.935 9.972 106 HG3 GLU 11 HG1 GLU 11 220.545 13.137 10.789 107 H LEU 12 HN LEU 12 219.372 13.626 6.396 108 HA LEU 12 HA LEU 12 221.995 14.773 6.825 109 HB2 LEU 12 HB2 LEU 12 221.637 13.316 4.911 110 HB3 LEU 12 HB1 LEU 12 220.373 14.373 4.312 111 HG LEU 12 HG LEU 12 222.184 16.180 4.166 112 HD11 LEU 12 HD11 LEU 12 224.437 14.858 3.664 113 HD12 LEU 12 HD12 LEU 12 223.775 13.796 4.906 114 HD13 LEU 12 HD13 LEU 12 224.051 15.502 5.259 115 HD21 LEU 12 HD21 LEU 12 221.346 15.352 2.148 116 HD22 LEU 12 HD22 LEU 12 222.040 13.753 2.409 117 HD23 LEU 12 HD23 LEU 12 223.089 15.116 2.019 118 H ASN 13 HN ASN 13 219.086 15.902 5.090 119 HA ASN 13 HA ASN 13 219.956 18.644 5.260 120 HB2 ASN 13 HB2 ASN 13 217.284 17.696 4.265 121 HB3 ASN 13 HB1 ASN 13 218.195 19.112 3.766 122 HD21 ASN 13 HD21 ASN 13 217.095 16.484 2.531 123 HD22 ASN 13 HD22 ASN 13 218.394 15.970 1.516 124 H GLY 14 HN GLY 14 218.089 16.597 7.242 125 HA2 GLY 14 HA2 GLY 14 216.987 17.098 9.216 126 HA3 GLY 14 HA1 GLY 14 217.357 18.797 8.945 127 H LYS 15 HN LYS 15 216.021 17.622 6.161 128 HA LYS 15 HA LYS 15 213.457 18.861 6.724 129 HB2 LYS 15 HB2 LYS 15 214.403 17.690 4.109 130 HB3 LYS 15 HB1 LYS 15 213.161 18.900 4.358 131 HG2 LYS 15 HG2 LYS 15 216.132 19.217 4.571 132 HG3 LYS 15 HG1 LYS 15 215.013 20.051 3.493 133 HD2 LYS 15 HD2 LYS 15 214.028 20.705 5.956 134 HD3 LYS 15 HD1 LYS 15 215.764 20.640 6.262 135 HE2 LYS 15 HE2 LYS 15 215.415 21.998 3.815 136 HE3 LYS 15 HE1 LYS 15 214.236 22.669 4.942 137 HZ1 LYS 15 HZ1 LYS 15 217.169 22.691 5.090 138 HZ2 LYS 15 HZ2 LYS 15 216.279 22.717 6.528 139 HZ3 LYS 15 HZ3 LYS 15 216.068 23.943 5.382 140 H VAL 16 HN VAL 16 211.609 17.611 5.333 141 HA VAL 16 HA VAL 16 211.735 14.788 6.168 142 HB VAL 16 HB VAL 16 209.203 14.977 6.378 143 HG11 VAL 16 HG11 VAL 16 210.082 14.713 8.442 144 HG12 VAL 16 HG12 VAL 16 209.588 16.396 8.627 145 HG13 VAL 16 HG13 VAL 16 211.260 16.007 8.224 146 HG21 VAL 16 HG21 VAL 16 209.727 17.912 6.734 147 HG22 VAL 16 HG22 VAL 16 208.180 17.073 6.610 148 HG23 VAL 16 HG23 VAL 16 209.210 17.240 5.187 149 H LEU 17 HN LEU 17 210.930 13.267 4.759 150 HA LEU 17 HA LEU 17 210.908 13.955 2.001 151 HB2 LEU 17 HB2 LEU 17 209.762 11.406 3.119 152 HB3 LEU 17 HB1 LEU 17 210.541 11.662 1.569 153 HG LEU 17 HG LEU 17 211.884 11.597 4.271 154 HD11 LEU 17 HD11 LEU 17 212.591 9.818 2.000 155 HD12 LEU 17 HD12 LEU 17 211.117 9.473 2.904 156 HD13 LEU 17 HD13 LEU 17 212.670 9.525 3.737 157 HD21 LEU 17 HD21 LEU 17 212.777 12.614 1.644 158 HD22 LEU 17 HD22 LEU 17 213.918 11.601 2.529 159 HD23 LEU 17 HD23 LEU 17 213.282 13.069 3.271 160 H ASP 18 HN ASP 18 209.215 14.403 0.635 161 HA ASP 18 HA ASP 18 206.483 14.001 1.588 162 HB2 ASP 18 HB2 ASP 18 207.347 16.303 2.257 163 HB3 ASP 18 HB1 ASP 18 207.405 16.678 0.538 164 H ILE 19 HN ILE 19 204.945 13.854 -0.060 165 HA ILE 19 HA ILE 19 205.975 13.108 -2.634 166 HB ILE 19 HB ILE 19 203.052 13.591 -2.235 167 HG12 ILE 19 HG12 ILE 19 203.808 12.473 -0.142 168 HG13 ILE 19 HG11 ILE 19 202.737 11.468 -1.108 169 HG21 ILE 19 HG21 ILE 19 203.262 11.202 -3.417 170 HG22 ILE 19 HG22 ILE 19 204.806 11.904 -3.901 171 HG23 ILE 19 HG23 ILE 19 203.298 12.726 -4.303 172 HD11 ILE 19 HD11 ILE 19 205.334 10.884 -0.141 173 HD12 ILE 19 HD12 ILE 19 205.385 10.891 -1.904 174 HD13 ILE 19 HD13 ILE 19 204.236 9.853 -1.059 175 H GLU 20 HN GLU 20 205.706 14.190 -4.615 176 HA GLU 20 HA GLU 20 205.861 16.985 -4.533 177 HB2 GLU 20 HB2 GLU 20 205.676 14.922 -6.660 178 HB3 GLU 20 HB1 GLU 20 205.301 16.578 -7.117 179 HG2 GLU 20 HG2 GLU 20 207.633 16.813 -5.658 180 HG3 GLU 20 HG1 GLU 20 207.858 15.328 -6.582 181 H GLY 21 HN GLY 21 204.398 18.545 -4.556 182 HA2 GLY 21 HA2 GLY 21 202.345 19.568 -4.426 183 HA3 GLY 21 HA1 GLY 21 202.054 18.734 -5.941 184 H GLN 22 HN GLN 22 202.551 16.896 -3.024 185 HA GLN 22 HA GLN 22 201.192 15.367 -1.997 186 HB2 GLN 22 HB2 GLN 22 199.660 17.930 -2.021 187 HB3 GLN 22 HB1 GLN 22 198.869 16.481 -1.418 188 HG2 GLN 22 HG2 GLN 22 200.380 16.249 0.346 189 HG3 GLN 22 HG1 GLN 22 201.545 17.349 -0.390 190 HE21 GLN 22 HE21 GLN 22 198.211 17.290 0.814 191 HE22 GLN 22 HE22 GLN 22 198.254 18.866 1.519 192 H ASN 23 HN ASN 23 201.091 15.427 -4.962 193 HA ASN 23 HA ASN 23 198.445 15.011 -5.852 194 HB2 ASN 23 HB2 ASN 23 201.163 14.588 -6.935 195 HB3 ASN 23 HB1 ASN 23 199.895 13.589 -7.639 196 HD21 ASN 23 HD21 ASN 23 201.509 16.407 -7.960 197 HD22 ASN 23 HD22 ASN 23 200.344 17.319 -8.851 198 HA PRO 24 HA PRO 24 198.126 10.947 -3.883 199 HB2 PRO 24 HB2 PRO 24 195.289 11.100 -4.464 200 HB3 PRO 24 HB1 PRO 24 196.100 11.146 -2.899 201 HG2 PRO 24 HG2 PRO 24 194.812 13.289 -3.983 202 HG3 PRO 24 HG1 PRO 24 196.178 13.434 -2.862 203 HD2 PRO 24 HD2 PRO 24 196.143 13.666 -5.849 204 HD3 PRO 24 HD1 PRO 24 197.018 14.645 -4.652 205 H ALA 25 HN ALA 25 197.673 11.909 -7.063 206 HA ALA 25 HA ALA 25 196.551 9.421 -8.025 207 HB1 ALA 25 HB1 ALA 25 197.760 11.292 -9.954 208 HB2 ALA 25 HB2 ALA 25 196.431 11.933 -8.987 209 HB3 ALA 25 HB3 ALA 25 196.189 10.493 -9.976 210 HA PRO 26 HA PRO 26 200.265 7.116 -8.612 211 HB2 PRO 26 HB2 PRO 26 199.198 6.414 -11.294 212 HB3 PRO 26 HB1 PRO 26 199.706 5.357 -9.972 213 HG2 PRO 26 HG2 PRO 26 197.123 5.700 -10.530 214 HG3 PRO 26 HG1 PRO 26 197.687 5.563 -8.854 215 HD2 PRO 26 HD2 PRO 26 196.865 7.994 -10.387 216 HD3 PRO 26 HD1 PRO 26 196.582 7.584 -8.683 217 H GLY 27 HN GLY 27 202.255 7.646 -9.307 218 HA2 GLY 27 HA2 GLY 27 203.754 8.170 -11.131 219 HA3 GLY 27 HA1 GLY 27 202.487 9.172 -11.820 220 H SER 28 HN SER 28 202.552 9.662 -8.510 221 HA SER 28 HA SER 28 203.652 12.284 -8.836 222 HB2 SER 28 HB2 SER 28 202.739 10.807 -6.357 223 HB3 SER 28 HB1 SER 28 203.180 12.513 -6.407 224 HG SER 28 HG SER 28 201.183 11.425 -8.087 225 H LYS 29 HN LYS 29 205.672 12.918 -8.549 226 HA LYS 29 HA LYS 29 207.721 11.048 -7.835 227 HB2 LYS 29 HB2 LYS 29 208.082 14.022 -8.145 228 HB3 LYS 29 HB1 LYS 29 209.256 12.747 -8.422 229 HG2 LYS 29 HG2 LYS 29 207.118 12.225 -10.161 230 HG3 LYS 29 HG1 LYS 29 207.434 13.958 -10.260 231 HD2 LYS 29 HD2 LYS 29 209.927 13.206 -10.431 232 HD3 LYS 29 HD1 LYS 29 209.230 11.659 -10.914 233 HE2 LYS 29 HE2 LYS 29 209.233 12.523 -12.981 234 HE3 LYS 29 HE1 LYS 29 207.811 13.418 -12.445 235 HZ1 LYS 29 HZ1 LYS 29 210.400 14.607 -11.846 236 HZ2 LYS 29 HZ2 LYS 29 208.956 15.344 -12.327 237 HZ3 LYS 29 HZ3 LYS 29 209.943 14.589 -13.475 238 H ILE 30 HN ILE 30 209.329 11.473 -6.133 239 HA ILE 30 HA ILE 30 208.077 12.808 -3.812 240 HB ILE 30 HB ILE 30 209.152 11.183 -2.347 241 HG12 ILE 30 HG12 ILE 30 209.976 9.741 -4.875 242 HG13 ILE 30 HG11 ILE 30 211.074 10.683 -3.872 243 HG21 ILE 30 HG21 ILE 30 206.873 10.808 -3.257 244 HG22 ILE 30 HG22 ILE 30 207.715 9.318 -2.834 245 HG23 ILE 30 HG23 ILE 30 207.584 9.808 -4.523 246 HD11 ILE 30 HD11 ILE 30 209.593 8.189 -3.091 247 HD12 ILE 30 HD12 ILE 30 210.544 9.173 -1.980 248 HD13 ILE 30 HD13 ILE 30 211.329 8.370 -3.339 249 H ILE 31 HN ILE 31 209.383 13.953 -2.377 250 HA ILE 31 HA ILE 31 212.225 14.198 -2.836 251 HB ILE 31 HB ILE 31 212.313 16.501 -3.376 252 HG12 ILE 31 HG12 ILE 31 210.318 17.146 -1.989 253 HG13 ILE 31 HG11 ILE 31 210.427 17.962 -3.542 254 HG21 ILE 31 HG21 ILE 31 211.308 16.577 -5.570 255 HG22 ILE 31 HG22 ILE 31 210.207 15.268 -5.142 256 HG23 ILE 31 HG23 ILE 31 211.940 14.961 -5.257 257 HD11 ILE 31 HD11 ILE 31 208.335 16.313 -2.477 258 HD12 ILE 31 HD12 ILE 31 208.895 15.699 -4.032 259 HD13 ILE 31 HD13 ILE 31 208.332 17.365 -3.891 260 H THR 32 HN THR 32 212.951 16.258 -1.403 261 HA THR 32 HA THR 32 211.710 15.740 1.216 262 HB THR 32 HB THR 32 213.744 16.159 2.237 263 HG1 THR 32 HG1 THR 32 214.688 17.468 -0.090 264 HG21 THR 32 HG21 THR 32 214.976 15.333 -0.340 265 HG22 THR 32 HG22 THR 32 213.851 14.247 0.475 266 HG23 THR 32 HG23 THR 32 215.313 14.784 1.302 267 H TRP 33 HN TRP 33 211.220 17.479 2.644 268 HA TRP 33 HA TRP 33 211.438 20.198 1.689 269 HB2 TRP 33 HB2 TRP 33 209.366 19.161 0.596 270 HB3 TRP 33 HB1 TRP 33 208.668 19.126 2.212 271 HD1 TRP 33 HD1 TRP 33 207.102 21.103 2.564 272 HE1 TRP 33 HE1 TRP 33 207.032 23.569 1.831 273 HE3 TRP 33 HE3 TRP 33 211.381 21.241 -0.230 274 HZ2 TRP 33 HZ2 TRP 33 208.586 25.338 0.276 275 HZ3 TRP 33 HZ3 TRP 33 212.018 23.359 -1.308 276 HH2 TRP 33 HH2 TRP 33 210.647 25.365 -1.060 277 H ASP 34 HN ASP 34 210.294 21.722 3.302 278 HA ASP 34 HA ASP 34 211.271 21.110 5.901 279 HB2 ASP 34 HB2 ASP 34 209.365 23.344 5.199 280 HB3 ASP 34 HB1 ASP 34 210.514 23.286 6.533 281 H GLN 35 HN GLN 35 210.259 20.297 7.647 282 HA GLN 35 HA GLN 35 207.879 18.872 7.417 283 HB2 GLN 35 HB2 GLN 35 207.942 18.751 9.905 284 HB3 GLN 35 HB1 GLN 35 209.465 18.323 9.138 285 HG2 GLN 35 HG2 GLN 35 209.865 20.952 9.549 286 HG3 GLN 35 HG1 GLN 35 208.800 20.578 10.903 287 HE21 GLN 35 HE21 GLN 35 209.451 18.898 12.364 288 HE22 GLN 35 HE22 GLN 35 211.129 18.558 12.596 289 H LYS 36 HN LYS 36 205.784 19.221 8.159 290 HA LYS 36 HA LYS 36 205.093 22.034 8.702 291 HB2 LYS 36 HB2 LYS 36 204.026 20.129 6.727 292 HB3 LYS 36 HB1 LYS 36 202.799 20.998 7.638 293 HG2 LYS 36 HG2 LYS 36 203.127 22.344 5.791 294 HG3 LYS 36 HG1 LYS 36 204.146 23.106 7.015 295 HD2 LYS 36 HD2 LYS 36 205.422 23.008 5.010 296 HD3 LYS 36 HD1 LYS 36 206.069 21.775 6.094 297 HE2 LYS 36 HE2 LYS 36 205.878 20.417 4.319 298 HE3 LYS 36 HE1 LYS 36 204.169 20.369 4.749 299 HZ1 LYS 36 HZ1 LYS 36 203.600 21.638 2.994 300 HZ2 LYS 36 HZ2 LYS 36 205.045 21.048 2.342 301 HZ3 LYS 36 HZ3 LYS 36 205.004 22.581 3.057 302 H LYS 37 HN LYS 37 202.952 22.274 9.816 303 HA LYS 37 HA LYS 37 202.477 20.048 11.686 304 HB2 LYS 37 HB2 LYS 37 202.402 22.992 12.371 305 HB3 LYS 37 HB1 LYS 37 202.118 21.656 13.479 306 HG2 LYS 37 HG2 LYS 37 204.575 21.023 12.528 307 HG3 LYS 37 HG1 LYS 37 204.634 22.787 12.486 308 HD2 LYS 37 HD2 LYS 37 203.520 22.368 14.922 309 HD3 LYS 37 HD1 LYS 37 204.555 20.945 14.780 310 HE2 LYS 37 HE2 LYS 37 205.765 23.524 14.005 311 HE3 LYS 37 HE1 LYS 37 205.403 23.319 15.718 312 HZ1 LYS 37 HZ1 LYS 37 206.701 21.287 15.718 313 HZ2 LYS 37 HZ2 LYS 37 207.643 22.584 15.180 314 HZ3 LYS 37 HZ3 LYS 37 207.034 21.464 14.069 315 H GLY 38 HN GLY 38 200.539 19.245 11.195 316 HA2 GLY 38 HA2 GLY 38 198.125 20.114 11.717 317 HA3 GLY 38 HA1 GLY 38 198.429 21.056 10.265 318 HA PRO 39 HA PRO 39 196.486 17.067 8.942 319 HB2 PRO 39 HB2 PRO 39 194.920 18.743 7.139 320 HB3 PRO 39 HB1 PRO 39 194.365 17.646 8.404 321 HG2 PRO 39 HG2 PRO 39 194.144 20.339 8.600 322 HG3 PRO 39 HG1 PRO 39 194.363 19.287 10.010 323 HD2 PRO 39 HD2 PRO 39 196.385 20.953 8.555 324 HD3 PRO 39 HD1 PRO 39 196.172 20.711 10.303 325 H THR 40 HN THR 40 198.445 19.404 7.551 326 HA THR 40 HA THR 40 198.452 18.095 4.928 327 HB THR 40 HB THR 40 200.093 20.095 4.464 328 HG1 THR 40 HG1 THR 40 200.085 20.698 6.732 329 HG21 THR 40 HG21 THR 40 197.279 20.971 4.898 330 HG22 THR 40 HG22 THR 40 197.649 19.754 3.677 331 HG23 THR 40 HG23 THR 40 198.387 21.352 3.581 332 H ALA 41 HN ALA 41 199.567 16.871 7.315 333 HA ALA 41 HA ALA 41 202.436 16.862 6.664 334 HB1 ALA 41 HB1 ALA 41 201.509 17.301 9.058 335 HB2 ALA 41 HB2 ALA 41 202.909 16.252 8.840 336 HB3 ALA 41 HB3 ALA 41 201.313 15.549 9.102 337 H VAL 42 HN VAL 42 199.559 15.065 6.423 338 HA VAL 42 HA VAL 42 200.284 12.399 6.586 339 HB VAL 42 HB VAL 42 198.423 13.791 4.638 340 HG11 VAL 42 HG11 VAL 42 198.004 10.940 5.295 341 HG12 VAL 42 HG12 VAL 42 199.291 11.317 4.154 342 HG13 VAL 42 HG13 VAL 42 197.640 11.831 3.821 343 HG21 VAL 42 HG21 VAL 42 196.918 12.374 6.462 344 HG22 VAL 42 HG22 VAL 42 197.222 14.111 6.483 345 HG23 VAL 42 HG23 VAL 42 198.239 13.027 7.432 346 H ASN 43 HN ASN 43 200.919 14.719 4.012 347 HA ASN 43 HA ASN 43 201.824 12.834 2.113 348 HB2 ASN 43 HB2 ASN 43 201.125 15.392 1.920 349 HB3 ASN 43 HB1 ASN 43 202.863 15.621 2.055 350 HD21 ASN 43 HD21 ASN 43 203.302 16.259 0.027 351 HD22 ASN 43 HD22 ASN 43 203.053 15.287 -1.378 352 H GLN 44 HN GLN 44 203.214 13.781 4.989 353 HA GLN 44 HA GLN 44 205.906 13.058 4.035 354 HB2 GLN 44 HB2 GLN 44 204.961 15.069 6.029 355 HB3 GLN 44 HB1 GLN 44 206.478 14.244 6.346 356 HG2 GLN 44 HG2 GLN 44 207.573 15.462 4.847 357 HG3 GLN 44 HG1 GLN 44 206.326 15.223 3.625 358 HE21 GLN 44 HE21 GLN 44 204.155 16.384 4.764 359 HE22 GLN 44 HE22 GLN 44 204.427 18.076 4.981 360 H LEU 45 HN LEU 45 203.334 11.774 5.346 361 HA LEU 45 HA LEU 45 204.802 10.225 7.358 362 HB2 LEU 45 HB2 LEU 45 201.911 10.968 7.194 363 HB3 LEU 45 HB1 LEU 45 202.489 9.759 8.267 364 HG LEU 45 HG LEU 45 204.065 12.107 8.638 365 HD11 LEU 45 HD11 LEU 45 201.432 12.877 9.548 366 HD12 LEU 45 HD12 LEU 45 201.527 12.776 7.793 367 HD13 LEU 45 HD13 LEU 45 202.648 13.807 8.675 368 HD21 LEU 45 HD21 LEU 45 202.469 10.204 10.195 369 HD22 LEU 45 HD22 LEU 45 202.568 11.821 10.890 370 HD23 LEU 45 HD23 LEU 45 204.043 10.921 10.541 371 H TRP 46 HN TRP 46 204.734 8.032 7.292 372 HA TRP 46 HA TRP 46 203.152 6.789 5.159 373 HB2 TRP 46 HB2 TRP 46 206.076 6.355 5.740 374 HB3 TRP 46 HB1 TRP 46 205.117 5.368 4.648 375 HD1 TRP 46 HD1 TRP 46 205.774 9.198 4.999 376 HE1 TRP 46 HE1 TRP 46 206.187 10.131 2.633 377 HE3 TRP 46 HE3 TRP 46 205.205 4.886 2.305 378 HZ2 TRP 46 HZ2 TRP 46 206.258 9.166 -0.020 379 HZ3 TRP 46 HZ3 TRP 46 205.452 4.980 -0.139 380 HH2 TRP 46 HH2 TRP 46 205.967 7.078 -1.278 381 H TYR 47 HN TYR 47 203.202 4.356 5.350 382 HA TYR 47 HA TYR 47 203.436 3.469 8.123 383 HB2 TYR 47 HB2 TYR 47 201.264 2.537 8.218 384 HB3 TYR 47 HB1 TYR 47 201.053 4.163 7.588 385 HD1 TYR 47 HD2 TYR 47 201.321 0.608 6.514 386 HD2 TYR 47 HD1 TYR 47 199.884 4.507 5.600 387 HE1 TYR 47 HE2 TYR 47 200.068 -0.307 4.607 388 HE2 TYR 47 HE1 TYR 47 198.624 3.602 3.692 389 HH TYR 47 HH TYR 47 198.094 0.292 3.243 390 H THR 48 HN THR 48 203.415 1.058 8.300 391 HA THR 48 HA THR 48 204.623 -0.125 5.893 392 HB THR 48 HB THR 48 205.719 -1.711 7.415 393 HG1 THR 48 HG1 THR 48 204.431 -0.220 9.454 394 HG21 THR 48 HG21 THR 48 206.856 0.172 8.938 395 HG22 THR 48 HG22 THR 48 206.125 1.189 7.697 396 HG23 THR 48 HG23 THR 48 207.257 -0.084 7.240 397 H ASP 49 HN ASP 49 203.806 -1.948 4.990 398 HA ASP 49 HA ASP 49 201.163 -2.730 5.792 399 HB2 ASP 49 HB2 ASP 49 201.911 -2.578 3.408 400 HB3 ASP 49 HB1 ASP 49 202.926 -3.991 3.681 401 H GLN 50 HN GLN 50 200.584 -5.084 5.943 402 HA GLN 50 HA GLN 50 201.792 -6.247 8.173 403 HB2 GLN 50 HB2 GLN 50 199.712 -6.996 6.245 404 HB3 GLN 50 HB1 GLN 50 200.552 -8.370 6.950 405 HG2 GLN 50 HG2 GLN 50 199.873 -7.830 9.112 406 HG3 GLN 50 HG1 GLN 50 199.450 -6.178 8.665 407 HE21 GLN 50 HE21 GLN 50 197.814 -6.295 6.658 408 HE22 GLN 50 HE22 GLN 50 196.416 -7.257 6.985 409 H GLN 51 HN GLN 51 202.690 -6.378 4.854 410 HA GLN 51 HA GLN 51 204.438 -8.685 5.331 411 HB2 GLN 51 HB2 GLN 51 203.368 -7.389 2.845 412 HB3 GLN 51 HB1 GLN 51 204.791 -8.420 2.772 413 HG2 GLN 51 HG2 GLN 51 203.105 -9.995 4.176 414 HG3 GLN 51 HG1 GLN 51 201.966 -9.115 3.158 415 HE21 GLN 51 HE21 GLN 51 202.341 -9.160 0.845 416 HE22 GLN 51 HE22 GLN 51 203.075 -10.552 0.134 417 H GLY 52 HN GLY 52 204.580 -5.396 5.557 418 HA2 GLY 52 HA2 GLY 52 206.633 -4.344 6.196 419 HA3 GLY 52 HA1 GLY 52 207.487 -5.445 5.127 420 H VAL 53 HN VAL 53 204.817 -4.458 3.450 421 HA VAL 53 HA VAL 53 206.383 -2.684 1.809 422 HB VAL 53 HB VAL 53 203.457 -3.377 1.527 423 HG11 VAL 53 HG11 VAL 53 203.476 -2.283 -0.429 424 HG12 VAL 53 HG12 VAL 53 205.086 -2.865 -0.851 425 HG13 VAL 53 HG13 VAL 53 204.903 -1.475 0.219 426 HG21 VAL 53 HG21 VAL 53 204.285 -5.061 -0.146 427 HG22 VAL 53 HG22 VAL 53 204.622 -5.451 1.541 428 HG23 VAL 53 HG23 VAL 53 205.903 -4.811 0.511 429 H ILE 54 HN ILE 54 206.604 -0.607 2.340 430 HA ILE 54 HA ILE 54 204.721 0.683 4.072 431 HB ILE 54 HB ILE 54 206.199 2.757 3.449 432 HG12 ILE 54 HG12 ILE 54 208.398 0.819 3.109 433 HG13 ILE 54 HG11 ILE 54 207.347 1.021 1.710 434 HG21 ILE 54 HG21 ILE 54 206.044 1.665 5.636 435 HG22 ILE 54 HG22 ILE 54 207.680 2.214 5.274 436 HG23 ILE 54 HG23 ILE 54 207.272 0.505 5.129 437 HD11 ILE 54 HD11 ILE 54 208.448 3.421 3.089 438 HD12 ILE 54 HD12 ILE 54 207.948 3.217 1.410 439 HD13 ILE 54 HD13 ILE 54 209.457 2.499 1.975 440 H ARG 55 HN ARG 55 203.544 2.516 3.661 441 HA ARG 55 HA ARG 55 203.200 3.498 0.956 442 HB2 ARG 55 HB2 ARG 55 200.698 2.638 2.363 443 HB3 ARG 55 HB1 ARG 55 200.960 2.934 0.654 444 HG2 ARG 55 HG2 ARG 55 202.217 0.610 2.074 445 HG3 ARG 55 HG1 ARG 55 200.597 0.531 1.382 446 HD2 ARG 55 HD2 ARG 55 202.787 1.559 -0.334 447 HD3 ARG 55 HD1 ARG 55 202.757 -0.170 0.008 448 HE ARG 55 HE ARG 55 200.940 1.302 -1.665 449 HH11 ARG 55 HH11 ARG 55 201.363 -1.576 0.263 450 HH12 ARG 55 HH12 ARG 55 200.150 -2.474 -0.587 451 HH21 ARG 55 HH21 ARG 55 199.345 0.123 -2.783 452 HH22 ARG 55 HH22 ARG 55 199.005 -1.510 -2.316 453 H SER 56 HN SER 56 202.758 5.621 1.004 454 HA SER 56 HA SER 56 202.920 7.044 3.397 455 HB2 SER 56 HB2 SER 56 202.183 9.009 2.082 456 HB3 SER 56 HB1 SER 56 203.465 8.101 1.285 457 HG SER 56 HG SER 56 202.152 7.979 -0.340 458 H LYS 57 HN LYS 57 201.449 8.403 4.410 459 HA LYS 57 HA LYS 57 199.134 7.089 5.226 460 HB2 LYS 57 HB2 LYS 57 200.456 8.754 6.531 461 HB3 LYS 57 HB1 LYS 57 199.760 10.020 5.532 462 HG2 LYS 57 HG2 LYS 57 197.530 9.336 6.267 463 HG3 LYS 57 HG1 LYS 57 198.272 8.132 7.315 464 HD2 LYS 57 HD2 LYS 57 199.429 9.891 8.546 465 HD3 LYS 57 HD1 LYS 57 198.728 11.109 7.480 466 HE2 LYS 57 HE2 LYS 57 197.098 9.231 9.180 467 HE3 LYS 57 HE1 LYS 57 197.580 10.847 9.695 468 HZ1 LYS 57 HZ1 LYS 57 195.289 10.420 8.531 469 HZ2 LYS 57 HZ2 LYS 57 196.212 10.563 7.121 470 HZ3 LYS 57 HZ3 LYS 57 196.164 11.837 8.232 471 H LEU 58 HN LEU 58 199.652 8.801 2.370 472 HA LEU 58 HA LEU 58 197.472 10.309 1.810 473 HB2 LEU 58 HB2 LEU 58 198.941 8.295 0.141 474 HB3 LEU 58 HB1 LEU 58 197.575 9.167 -0.524 475 HG LEU 58 HG LEU 58 198.699 11.238 -0.420 476 HD11 LEU 58 HD11 LEU 58 199.627 10.870 1.877 477 HD12 LEU 58 HD12 LEU 58 200.732 11.658 0.751 478 HD13 LEU 58 HD13 LEU 58 200.931 9.950 1.131 479 HD21 LEU 58 HD21 LEU 58 200.703 10.857 -1.717 480 HD22 LEU 58 HD22 LEU 58 199.455 9.711 -2.207 481 HD23 LEU 58 HD23 LEU 58 200.777 9.184 -1.167 482 H ASN 59 HN ASN 59 197.605 6.768 1.571 483 HA ASN 59 HA ASN 59 195.115 6.206 2.595 484 HB2 ASN 59 HB2 ASN 59 193.900 5.647 0.392 485 HB3 ASN 59 HB1 ASN 59 193.952 7.335 0.890 486 HD21 ASN 59 HD21 ASN 59 194.997 8.803 -0.352 487 HD22 ASN 59 HD22 ASN 59 195.722 8.435 -1.877 488 H ASP 60 HN ASP 60 197.037 5.303 -0.265 489 HA ASP 60 HA ASP 60 198.068 2.945 0.804 490 HB2 ASP 60 HB2 ASP 60 195.480 2.462 0.498 491 HB3 ASP 60 HB1 ASP 60 195.960 2.185 -1.173 492 H PHE 61 HN PHE 61 199.746 4.184 -0.328 493 HA PHE 61 HA PHE 61 200.017 3.237 -3.079 494 HB2 PHE 61 HB2 PHE 61 199.769 6.060 -2.250 495 HB3 PHE 61 HB1 PHE 61 201.099 5.716 -3.351 496 HD1 PHE 61 HD2 PHE 61 197.461 5.003 -2.951 497 HD2 PHE 61 HD1 PHE 61 200.693 5.776 -5.608 498 HE1 PHE 61 HE2 PHE 61 195.893 5.024 -4.845 499 HE2 PHE 61 HE1 PHE 61 199.131 5.802 -7.507 500 HZ PHE 61 HZ PHE 61 196.726 5.425 -7.127 501 H ALA 62 HN ALA 62 201.966 2.377 -3.408 502 HA ALA 62 HA ALA 62 204.079 2.949 -1.448 503 HB1 ALA 62 HB1 ALA 62 204.584 0.739 -3.272 504 HB2 ALA 62 HB2 ALA 62 203.085 0.548 -2.364 505 HB3 ALA 62 HB3 ALA 62 204.610 0.782 -1.509 506 H ILE 63 HN ILE 63 206.221 3.330 -2.129 507 HA ILE 63 HA ILE 63 206.407 4.814 -4.601 508 HB ILE 63 HB ILE 63 208.905 4.207 -3.137 509 HG12 ILE 63 HG12 ILE 63 207.786 6.392 -1.737 510 HG13 ILE 63 HG11 ILE 63 206.589 5.106 -1.684 511 HG21 ILE 63 HG21 ILE 63 207.812 6.893 -3.900 512 HG22 ILE 63 HG22 ILE 63 208.523 5.811 -5.095 513 HG23 ILE 63 HG23 ILE 63 209.491 6.382 -3.739 514 HD11 ILE 63 HD11 ILE 63 209.472 4.710 -0.950 515 HD12 ILE 63 HD12 ILE 63 208.120 3.615 -0.659 516 HD13 ILE 63 HD13 ILE 63 208.219 5.146 0.211 517 H ASP 64 HN ASP 64 207.888 4.359 -6.306 518 HA ASP 64 HA ASP 64 208.899 1.612 -6.350 519 HB2 ASP 64 HB2 ASP 64 208.066 1.193 -8.538 520 HB3 ASP 64 HB1 ASP 64 206.722 1.810 -7.583 521 H ALA 65 HN ALA 65 210.833 1.311 -7.199 522 HA ALA 65 HA ALA 65 212.285 3.699 -8.114 523 HB1 ALA 65 HB1 ALA 65 214.247 1.905 -7.867 524 HB2 ALA 65 HB2 ALA 65 213.077 1.198 -6.752 525 HB3 ALA 65 HB3 ALA 65 213.638 2.853 -6.511 526 H SER 66 HN SER 66 210.539 2.697 -9.982 527 HA SER 66 HA SER 66 211.808 0.874 -11.779 528 HB2 SER 66 HB2 SER 66 209.957 1.347 -13.276 529 HB3 SER 66 HB1 SER 66 209.341 1.162 -11.635 530 HG SER 66 HG SER 66 209.194 3.401 -11.478 531 H HIS 67 HN HIS 67 211.397 4.388 -11.710 532 HA HIS 67 HA HIS 67 213.148 4.630 -14.049 533 HB2 HIS 67 HB2 HIS 67 211.194 6.484 -12.724 534 HB3 HIS 67 HB1 HIS 67 212.428 7.107 -13.806 535 HD1 HIS 67 HD1 HIS 67 210.434 3.929 -14.307 536 HD2 HIS 67 HD2 HIS 67 210.887 7.704 -15.983 537 HE1 HIS 67 HE1 HIS 67 209.079 3.892 -16.425 538 HE2 HIS 67 HE2 HIS 67 209.449 6.154 -17.471 539 H GLU 68 HN GLU 68 214.526 6.753 -13.914 540 HA GLU 68 HA GLU 68 216.627 6.348 -12.200 541 HB2 GLU 68 HB2 GLU 68 215.814 9.083 -13.178 542 HB3 GLU 68 HB1 GLU 68 217.437 8.509 -12.818 543 HG2 GLU 68 HG2 GLU 68 216.676 6.742 -14.724 544 HG3 GLU 68 HG1 GLU 68 215.810 8.190 -15.235 545 H GLN 69 HN GLN 69 213.852 8.495 -11.731 546 HA GLN 69 HA GLN 69 214.693 8.922 -8.955 547 HB2 GLN 69 HB2 GLN 69 212.414 10.508 -9.614 548 HB3 GLN 69 HB1 GLN 69 214.040 11.040 -9.229 549 HG2 GLN 69 HG2 GLN 69 213.898 11.976 -11.264 550 HG3 GLN 69 HG1 GLN 69 214.411 10.378 -11.794 551 HE21 GLN 69 HE21 GLN 69 211.983 9.022 -11.338 552 HE22 GLN 69 HE22 GLN 69 210.829 9.586 -12.493 553 H ILE 70 HN ILE 70 213.190 8.559 -7.258 554 HA ILE 70 HA ILE 70 211.404 6.383 -7.817 555 HB ILE 70 HB ILE 70 211.319 7.652 -5.134 556 HG12 ILE 70 HG12 ILE 70 213.698 7.806 -5.676 557 HG13 ILE 70 HG11 ILE 70 213.424 6.536 -4.492 558 HG21 ILE 70 HG21 ILE 70 211.018 5.457 -4.403 559 HG22 ILE 70 HG22 ILE 70 211.782 4.778 -5.839 560 HG23 ILE 70 HG23 ILE 70 210.176 5.494 -5.952 561 HD11 ILE 70 HD11 ILE 70 214.560 5.170 -5.808 562 HD12 ILE 70 HD12 ILE 70 214.613 6.372 -7.097 563 HD13 ILE 70 HD13 ILE 70 213.238 5.276 -6.970 564 H GLU 71 HN GLU 71 209.268 6.293 -7.729 565 HA GLU 71 HA GLU 71 207.744 8.784 -7.366 566 HB2 GLU 71 HB2 GLU 71 208.259 7.868 -9.836 567 HB3 GLU 71 HB1 GLU 71 206.833 6.904 -9.479 568 HG2 GLU 71 HG2 GLU 71 205.448 8.726 -9.407 569 HG3 GLU 71 HG1 GLU 71 206.752 9.838 -9.000 570 H THR 72 HN THR 72 205.432 8.416 -6.964 571 HA THR 72 HA THR 72 205.023 5.912 -5.495 572 HB THR 72 HB THR 72 203.118 7.161 -4.427 573 HG1 THR 72 HG1 THR 72 204.292 9.419 -5.669 574 HG21 THR 72 HG21 THR 72 204.523 8.729 -3.096 575 HG22 THR 72 HG22 THR 72 205.872 8.329 -4.159 576 HG23 THR 72 HG23 THR 72 205.127 7.074 -3.168 577 H GLN 73 HN GLN 73 203.380 4.536 -5.999 578 HA GLN 73 HA GLN 73 201.193 5.265 -7.681 579 HB2 GLN 73 HB2 GLN 73 202.356 3.114 -9.148 580 HB3 GLN 73 HB1 GLN 73 201.967 4.731 -9.709 581 HG2 GLN 73 HG2 GLN 73 204.163 5.516 -9.071 582 HG3 GLN 73 HG1 GLN 73 204.556 3.936 -8.394 583 HE21 GLN 73 HE21 GLN 73 206.182 5.043 -10.267 584 HE22 GLN 73 HE22 GLN 73 206.052 4.177 -11.756 585 HA PRO 74 HA PRO 74 199.264 1.715 -5.938 586 HB2 PRO 74 HB2 PRO 74 198.344 0.242 -8.073 587 HB3 PRO 74 HB1 PRO 74 197.534 1.668 -7.417 588 HG2 PRO 74 HG2 PRO 74 199.342 1.434 -9.782 589 HG3 PRO 74 HG1 PRO 74 197.855 2.381 -9.595 590 HD2 PRO 74 HD2 PRO 74 200.276 3.522 -9.449 591 HD3 PRO 74 HD1 PRO 74 198.929 4.070 -8.431 592 H PHE 75 HN PHE 75 200.052 -0.105 -5.057 593 HA PHE 75 HA PHE 75 202.491 -1.218 -5.820 594 HB2 PHE 75 HB2 PHE 75 201.562 -1.423 -3.559 595 HB3 PHE 75 HB1 PHE 75 200.282 -2.465 -4.171 596 HD1 PHE 75 HD1 PHE 75 203.977 -2.380 -4.690 597 HD2 PHE 75 HD2 PHE 75 200.582 -4.610 -3.420 598 HE1 PHE 75 HE1 PHE 75 205.411 -4.346 -4.324 599 HE2 PHE 75 HE2 PHE 75 202.010 -6.580 -3.050 600 HZ PHE 75 HZ PHE 75 204.427 -6.449 -3.502 601 H ASP 76 HN ASP 76 203.087 -2.865 -7.126 602 HA ASP 76 HA ASP 76 200.947 -4.339 -8.513 603 HB2 ASP 76 HB2 ASP 76 203.045 -2.674 -9.600 604 HB3 ASP 76 HB1 ASP 76 203.186 -4.320 -10.209 605 HA PRO 77 HA PRO 77 202.945 -7.883 -6.656 606 HB2 PRO 77 HB2 PRO 77 201.506 -9.309 -8.829 607 HB3 PRO 77 HB1 PRO 77 201.496 -9.607 -7.087 608 HG2 PRO 77 HG2 PRO 77 199.409 -8.465 -8.286 609 HG3 PRO 77 HG1 PRO 77 199.940 -7.938 -6.677 610 HD2 PRO 77 HD2 PRO 77 200.355 -6.633 -9.334 611 HD3 PRO 77 HD1 PRO 77 200.020 -5.896 -7.753 612 H ASN 78 HN ASN 78 202.863 -7.354 -10.153 613 HA ASN 78 HA ASN 78 205.141 -9.099 -10.568 614 HB2 ASN 78 HB2 ASN 78 203.237 -7.625 -12.326 615 HB3 ASN 78 HB1 ASN 78 204.814 -8.052 -12.983 616 HD21 ASN 78 HD21 ASN 78 202.251 -9.553 -11.036 617 HD22 ASN 78 HD22 ASN 78 202.257 -11.059 -11.883 618 H ASN 79 HN ASN 79 204.849 -6.019 -9.459 619 HA ASN 79 HA ASN 79 207.285 -5.096 -10.824 620 HB2 ASN 79 HB2 ASN 79 204.998 -3.641 -9.537 621 HB3 ASN 79 HB1 ASN 79 206.563 -2.852 -9.717 622 HD21 ASN 79 HD21 ASN 79 206.317 -1.444 -11.307 623 HD22 ASN 79 HD22 ASN 79 205.679 -1.795 -12.873 624 HA PRO 80 HA PRO 80 208.967 -6.091 -6.718 625 HB2 PRO 80 HB2 PRO 80 211.551 -6.222 -8.018 626 HB3 PRO 80 HB1 PRO 80 210.614 -7.525 -7.288 627 HG2 PRO 80 HG2 PRO 80 211.067 -7.307 -9.973 628 HG3 PRO 80 HG1 PRO 80 209.655 -8.120 -9.276 629 HD2 PRO 80 HD2 PRO 80 209.879 -5.371 -10.441 630 HD3 PRO 80 HD1 PRO 80 208.571 -6.562 -10.601 631 H LYS 81 HN LYS 81 208.707 -3.309 -8.015 632 HA LYS 81 HA LYS 81 210.991 -2.086 -6.636 633 HB2 LYS 81 HB2 LYS 81 209.545 -1.319 -9.155 634 HB3 LYS 81 HB1 LYS 81 210.455 -0.137 -8.240 635 HG2 LYS 81 HG2 LYS 81 211.516 -2.638 -9.523 636 HG3 LYS 81 HG1 LYS 81 211.830 -0.972 -10.010 637 HD2 LYS 81 HD2 LYS 81 212.894 -0.604 -7.778 638 HD3 LYS 81 HD1 LYS 81 212.719 -2.333 -7.470 639 HE2 LYS 81 HE2 LYS 81 214.857 -2.270 -8.293 640 HE3 LYS 81 HE1 LYS 81 213.948 -2.547 -9.778 641 HZ1 LYS 81 HZ1 LYS 81 214.988 0.057 -8.802 642 HZ2 LYS 81 HZ2 LYS 81 214.010 -0.132 -10.169 643 HZ3 LYS 81 HZ3 LYS 81 215.554 -0.823 -10.132 644 H ARG 82 HN ARG 82 207.569 -2.330 -6.911 645 HA ARG 82 HA ARG 82 207.024 0.143 -5.504 646 HB2 ARG 82 HB2 ARG 82 205.223 -2.054 -6.509 647 HB3 ARG 82 HB1 ARG 82 204.646 -0.613 -5.681 648 HG2 ARG 82 HG2 ARG 82 204.850 0.659 -7.504 649 HG3 ARG 82 HG1 ARG 82 206.410 -0.043 -7.933 650 HD2 ARG 82 HD2 ARG 82 205.443 -1.244 -9.519 651 HD3 ARG 82 HD1 ARG 82 204.427 -2.030 -8.314 652 HE ARG 82 HE ARG 82 202.679 -0.666 -8.928 653 HH11 ARG 82 HH11 ARG 82 205.629 0.499 -10.385 654 HH12 ARG 82 HH12 ARG 82 204.819 1.622 -11.424 655 HH21 ARG 82 HH21 ARG 82 201.613 0.812 -10.293 656 HH22 ARG 82 HH22 ARG 82 202.540 1.801 -11.371 657 H ALA 83 HN ALA 83 208.433 -2.293 -4.269 658 HA ALA 83 HA ALA 83 206.729 -2.394 -1.866 659 HB1 ALA 83 HB1 ALA 83 206.588 -4.604 -1.969 660 HB2 ALA 83 HB2 ALA 83 208.346 -4.737 -1.981 661 HB3 ALA 83 HB3 ALA 83 207.463 -4.579 -3.499 662 H TRP 84 HN TRP 84 207.812 -0.938 -0.645 663 HA TRP 84 HA TRP 84 210.704 -1.345 -0.307 664 HB2 TRP 84 HB2 TRP 84 208.983 1.082 0.220 665 HB3 TRP 84 HB1 TRP 84 210.709 0.985 0.565 666 HD1 TRP 84 HD1 TRP 84 208.332 0.725 -2.490 667 HE1 TRP 84 HE1 TRP 84 209.616 1.542 -4.563 668 HE3 TRP 84 HE3 TRP 84 212.888 1.536 -0.338 669 HZ2 TRP 84 HZ2 TRP 84 212.213 2.437 -5.191 670 HZ3 TRP 84 HZ3 TRP 84 214.719 2.373 -1.741 671 HH2 TRP 84 HH2 TRP 84 214.389 2.816 -4.121 672 H ILE 85 HN ILE 85 211.573 -1.817 1.601 673 HA ILE 85 HA ILE 85 209.746 -2.074 3.907 674 HB ILE 85 HB ILE 85 211.286 -3.811 4.760 675 HG12 ILE 85 HG12 ILE 85 212.606 -4.463 2.291 676 HG13 ILE 85 HG11 ILE 85 212.990 -2.803 2.735 677 HG21 ILE 85 HG21 ILE 85 210.816 -5.391 2.627 678 HG22 ILE 85 HG22 ILE 85 209.718 -4.054 2.281 679 HG23 ILE 85 HG23 ILE 85 209.584 -4.934 3.804 680 HD11 ILE 85 HD11 ILE 85 214.050 -3.431 4.679 681 HD12 ILE 85 HD12 ILE 85 214.485 -4.733 3.572 682 HD13 ILE 85 HD13 ILE 85 213.207 -4.978 4.763 683 H VAL 86 HN VAL 86 210.655 -1.612 6.031 684 HA VAL 86 HA VAL 86 212.746 0.437 5.855 685 HB VAL 86 HB VAL 86 210.920 -0.043 8.202 686 HG11 VAL 86 HG11 VAL 86 212.469 1.365 9.049 687 HG12 VAL 86 HG12 VAL 86 211.499 2.581 8.218 688 HG13 VAL 86 HG13 VAL 86 212.962 1.952 7.461 689 HG21 VAL 86 HG21 VAL 86 209.556 0.390 6.208 690 HG22 VAL 86 HG22 VAL 86 210.480 1.861 5.902 691 HG23 VAL 86 HG23 VAL 86 209.484 1.730 7.352 692 H SER 87 HN SER 87 214.666 0.134 6.747 693 HA SER 87 HA SER 87 215.008 -2.103 8.635 694 HB2 SER 87 HB2 SER 87 216.035 -2.689 6.508 695 HB3 SER 87 HB1 SER 87 216.915 -1.161 6.478 696 HG SER 87 HG SER 87 217.210 -3.041 8.571 697 H GLY 88 HN GLY 88 214.959 -0.915 10.515 698 HA2 GLY 88 HA2 GLY 88 215.896 0.319 12.214 699 HA3 GLY 88 HA1 GLY 88 217.339 0.478 11.223 700 H ASN 89 HN ASN 89 217.719 2.332 10.157 701 HA ASN 89 HA ASN 89 215.664 4.433 10.350 702 HB2 ASN 89 HB2 ASN 89 217.449 6.044 10.688 703 HB3 ASN 89 HB1 ASN 89 217.594 4.763 11.886 704 HD21 ASN 89 HD21 ASN 89 218.781 5.700 8.670 705 HD22 ASN 89 HD22 ASN 89 220.367 5.051 8.879 706 H THR 90 HN THR 90 216.162 2.567 8.127 707 HA THR 90 HA THR 90 216.581 4.585 6.076 708 HB THR 90 HB THR 90 217.993 2.606 4.947 709 HG1 THR 90 HG1 THR 90 219.167 1.513 6.398 710 HG21 THR 90 HG21 THR 90 219.797 4.011 6.677 711 HG22 THR 90 HG22 THR 90 218.596 5.109 5.997 712 HG23 THR 90 HG23 THR 90 219.597 4.126 4.928 713 H ILE 91 HN ILE 91 215.666 4.167 4.125 714 HA ILE 91 HA ILE 91 213.646 2.041 4.088 715 HB ILE 91 HB ILE 91 213.986 4.215 2.021 716 HG12 ILE 91 HG12 ILE 91 213.776 5.332 4.170 717 HG13 ILE 91 HG11 ILE 91 212.265 5.490 3.281 718 HG21 ILE 91 HG21 ILE 91 212.011 3.531 1.173 719 HG22 ILE 91 HG22 ILE 91 211.338 3.153 2.758 720 HG23 ILE 91 HG23 ILE 91 212.429 2.014 1.969 721 HD11 ILE 91 HD11 ILE 91 211.248 4.771 5.111 722 HD12 ILE 91 HD12 ILE 91 212.776 4.303 5.857 723 HD13 ILE 91 HD13 ILE 91 211.941 3.183 4.780 724 H ALA 92 HN ALA 92 214.083 0.196 3.051 725 HA ALA 92 HA ALA 92 216.050 0.294 0.852 726 HB1 ALA 92 HB1 ALA 92 215.704 -2.145 2.551 727 HB2 ALA 92 HB2 ALA 92 216.727 -0.812 3.088 728 HB3 ALA 92 HB3 ALA 92 217.086 -1.646 1.577 729 H GLN 93 HN GLN 93 215.734 -0.969 -0.932 730 HA GLN 93 HA GLN 93 213.081 -1.543 -1.700 731 HB2 GLN 93 HB2 GLN 93 215.305 -1.051 -3.053 732 HB3 GLN 93 HB1 GLN 93 215.401 -2.804 -3.090 733 HG2 GLN 93 HG2 GLN 93 214.163 -2.663 -4.925 734 HG3 GLN 93 HG1 GLN 93 212.814 -2.359 -3.831 735 HE21 GLN 93 HE21 GLN 93 215.512 -0.218 -4.614 736 HE22 GLN 93 HE22 GLN 93 214.550 1.026 -5.325 737 H LEU 94 HN LEU 94 212.055 -3.502 -2.099 738 HA LEU 94 HA LEU 94 212.459 -5.536 -0.212 739 HB2 LEU 94 HB2 LEU 94 210.661 -6.699 -1.225 740 HB3 LEU 94 HB1 LEU 94 210.288 -4.994 -1.316 741 HG LEU 94 HG LEU 94 211.383 -6.590 -3.635 742 HD11 LEU 94 HD11 LEU 94 209.381 -7.497 -3.857 743 HD12 LEU 94 HD12 LEU 94 208.740 -5.881 -4.150 744 HD13 LEU 94 HD13 LEU 94 208.739 -6.549 -2.517 745 HD21 LEU 94 HD21 LEU 94 210.677 -3.769 -3.218 746 HD22 LEU 94 HD22 LEU 94 210.024 -4.490 -4.680 747 HD23 LEU 94 HD23 LEU 94 211.762 -4.499 -4.393 748 H SER 95 HN SER 95 212.970 -5.708 -3.757 749 HA SER 95 HA SER 95 214.283 -8.236 -3.547 750 HB2 SER 95 HB2 SER 95 214.392 -8.215 -5.893 751 HB3 SER 95 HB1 SER 95 212.916 -7.323 -5.528 752 HG SER 95 HG SER 95 214.345 -5.398 -5.654 753 H ASP 96 HN ASP 96 215.382 -5.183 -2.844 754 HA ASP 96 HA ASP 96 218.147 -6.060 -3.220 755 HB2 ASP 96 HB2 ASP 96 216.869 -3.632 -4.351 756 HB3 ASP 96 HB1 ASP 96 218.478 -3.429 -3.662 757 H ARG 97 HN ARG 97 218.187 -6.510 -0.986 758 HA ARG 97 HA ARG 97 217.507 -4.559 0.972 759 HB2 ARG 97 HB2 ARG 97 218.893 -7.205 0.979 760 HB3 ARG 97 HB1 ARG 97 219.084 -6.159 2.380 761 HG2 ARG 97 HG2 ARG 97 216.314 -6.367 1.562 762 HG3 ARG 97 HG1 ARG 97 217.024 -7.945 1.909 763 HD2 ARG 97 HD2 ARG 97 217.609 -5.776 3.831 764 HD3 ARG 97 HD1 ARG 97 215.947 -6.363 3.790 765 HE ARG 97 HE ARG 97 218.157 -7.676 4.947 766 HH11 ARG 97 HH11 ARG 97 215.313 -8.337 3.036 767 HH12 ARG 97 HH12 ARG 97 215.147 -9.960 3.615 768 HH21 ARG 97 HH21 ARG 97 217.942 -9.812 5.710 769 HH22 ARG 97 HH22 ARG 97 216.640 -10.798 5.133 770 H ASP 98 HN ASP 98 220.162 -4.987 -1.107 771 HA ASP 98 HA ASP 98 222.039 -3.562 0.599 772 HB2 ASP 98 HB2 ASP 98 222.321 -4.672 -2.200 773 HB3 ASP 98 HB1 ASP 98 223.616 -3.888 -1.299 774 H ILE 99 HN ILE 99 219.490 -2.479 -0.891 775 HA ILE 99 HA ILE 99 220.810 -0.015 -1.771 776 HB ILE 99 HB ILE 99 219.857 -1.536 -3.669 777 HG12 ILE 99 HG12 ILE 99 219.173 1.400 -3.461 778 HG13 ILE 99 HG11 ILE 99 220.715 0.729 -3.983 779 HG21 ILE 99 HG21 ILE 99 217.623 -1.655 -4.029 780 HG22 ILE 99 HG22 ILE 99 217.306 -0.090 -3.283 781 HG23 ILE 99 HG23 ILE 99 217.584 -1.507 -2.274 782 HD11 ILE 99 HD11 ILE 99 219.562 -0.317 -5.899 783 HD12 ILE 99 HD12 ILE 99 219.461 1.444 -5.897 784 HD13 ILE 99 HD13 ILE 99 218.071 0.480 -5.396 785 H VAL 100 HN VAL 100 219.862 1.848 -1.055 786 HA VAL 100 HA VAL 100 217.217 1.730 0.153 787 HB VAL 100 HB VAL 100 217.917 2.673 2.272 788 HG11 VAL 100 HG11 VAL 100 218.106 0.088 1.593 789 HG12 VAL 100 HG12 VAL 100 218.408 0.684 3.221 790 HG13 VAL 100 HG13 VAL 100 219.758 0.374 2.128 791 HG21 VAL 100 HG21 VAL 100 220.692 2.468 1.124 792 HG22 VAL 100 HG22 VAL 100 220.367 2.688 2.843 793 HG23 VAL 100 HG23 VAL 100 219.857 3.916 1.685 794 H LEU 101 HN LEU 101 216.119 3.616 0.019 795 HA LEU 101 HA LEU 101 216.806 5.586 -1.727 796 HB2 LEU 101 HB2 LEU 101 215.157 6.026 0.745 797 HB3 LEU 101 HB1 LEU 101 215.135 7.006 -0.696 798 HG LEU 101 HG LEU 101 214.387 4.110 -0.753 799 HD11 LEU 101 HD11 LEU 101 212.979 5.450 0.862 800 HD12 LEU 101 HD12 LEU 101 212.109 4.659 -0.453 801 HD13 LEU 101 HD13 LEU 101 212.443 6.389 -0.530 802 HD21 LEU 101 HD21 LEU 101 214.619 4.661 -2.935 803 HD22 LEU 101 HD22 LEU 101 214.351 6.380 -2.641 804 HD23 LEU 101 HD23 LEU 101 212.981 5.271 -2.699 805 H ASP 102 HN ASP 102 217.437 7.695 -1.594 806 HA ASP 102 HA ASP 102 218.840 8.653 0.741 807 HB2 ASP 102 HB2 ASP 102 220.426 7.098 -0.269 808 HB3 ASP 102 HB1 ASP 102 220.252 7.905 -1.818 809 H ILE 103 HN ILE 103 219.902 10.802 0.229 810 HA ILE 103 HA ILE 103 218.075 12.358 -1.431 811 HB ILE 103 HB ILE 103 220.287 13.344 0.374 812 HG12 ILE 103 HG12 ILE 103 217.996 14.025 1.640 813 HG13 ILE 103 HG11 ILE 103 217.492 12.513 0.893 814 HG21 ILE 103 HG21 ILE 103 219.027 14.709 -1.614 815 HG22 ILE 103 HG22 ILE 103 219.724 15.447 -0.172 816 HG23 ILE 103 HG23 ILE 103 218.000 15.078 -0.228 817 HD11 ILE 103 HD11 ILE 103 220.022 12.678 2.476 818 HD12 ILE 103 HD12 ILE 103 219.038 11.267 2.091 819 HD13 ILE 103 HD13 ILE 103 218.460 12.452 3.262 820 H ILE 104 HN ILE 104 218.574 12.971 -3.450 821 HA ILE 104 HA ILE 104 221.068 12.304 -4.618 822 HB ILE 104 HB ILE 104 218.989 12.390 -5.916 823 HG12 ILE 104 HG12 ILE 104 219.923 13.826 -7.840 824 HG13 ILE 104 HG11 ILE 104 221.279 14.151 -6.766 825 HG21 ILE 104 HG21 ILE 104 217.646 14.174 -6.067 826 HG22 ILE 104 HG22 ILE 104 218.995 15.291 -6.275 827 HG23 ILE 104 HG23 ILE 104 218.525 14.767 -4.658 828 HD11 ILE 104 HD11 ILE 104 222.207 12.194 -7.226 829 HD12 ILE 104 HD12 ILE 104 221.005 12.020 -8.506 830 HD13 ILE 104 HD13 ILE 104 220.703 11.328 -6.912 831 H LYS 105 HN LYS 105 222.802 13.526 -5.170 832 HA LYS 105 HA LYS 105 224.240 15.294 -5.293 833 HB2 LYS 105 HB2 LYS 105 222.082 17.126 -4.273 834 HB3 LYS 105 HB1 LYS 105 223.481 17.530 -5.257 835 HG2 LYS 105 HG2 LYS 105 222.381 15.954 -7.004 836 HG3 LYS 105 HG1 LYS 105 220.917 16.231 -6.058 837 HD2 LYS 105 HD2 LYS 105 220.732 17.960 -7.535 838 HD3 LYS 105 HD1 LYS 105 221.695 18.756 -6.290 839 HE2 LYS 105 HE2 LYS 105 223.412 17.357 -8.119 840 HE3 LYS 105 HE1 LYS 105 222.324 18.423 -9.008 841 HZ1 LYS 105 HZ1 LYS 105 223.018 20.182 -7.339 842 HZ2 LYS 105 HZ2 LYS 105 224.169 19.729 -8.492 843 HZ3 LYS 105 HZ3 LYS 105 224.280 19.140 -6.910 844 H SER 106 HN SER 106 222.749 14.188 -2.523 845 HA SER 106 HA SER 106 223.161 14.358 -0.284 846 HB2 SER 106 HB2 SER 106 225.286 13.349 -1.351 847 HB3 SER 106 HB1 SER 106 226.017 14.925 -1.048 848 HG SER 106 HG SER 106 225.955 14.572 1.063 849 H ASP 107 HN ASP 107 222.468 16.870 -1.627 850 HA ASP 107 HA ASP 107 223.985 18.832 -0.062 851 HB2 ASP 107 HB2 ASP 107 222.406 18.934 -2.572 852 HB3 ASP 107 HB1 ASP 107 222.341 20.363 -1.546 853 H LYS 108 HN LYS 108 222.765 20.588 0.977 854 HA LYS 108 HA LYS 108 220.619 19.504 2.570 855 HB2 LYS 108 HB2 LYS 108 222.581 21.533 2.866 856 HB3 LYS 108 HB1 LYS 108 221.009 22.301 3.037 857 HG2 LYS 108 HG2 LYS 108 221.652 21.671 5.203 858 HG3 LYS 108 HG1 LYS 108 220.450 20.481 4.702 859 HD2 LYS 108 HD2 LYS 108 221.910 18.809 4.914 860 HD3 LYS 108 HD1 LYS 108 223.114 19.656 3.941 861 HE2 LYS 108 HE2 LYS 108 222.794 20.784 6.611 862 HE3 LYS 108 HE1 LYS 108 223.305 19.097 6.630 863 HZ1 LYS 108 HZ1 LYS 108 225.302 19.601 5.761 864 HZ2 LYS 108 HZ2 LYS 108 224.986 21.140 6.388 865 HZ3 LYS 108 HZ3 LYS 108 224.698 20.819 4.752 866 H GLU 109 HN GLU 109 220.833 21.250 -0.320 867 HA GLU 109 HA GLU 109 218.756 23.041 -0.310 868 HB2 GLU 109 HB2 GLU 109 218.559 22.666 -2.715 869 HB3 GLU 109 HB1 GLU 109 220.248 22.707 -2.226 870 HG2 GLU 109 HG2 GLU 109 220.273 20.238 -2.246 871 HG3 GLU 109 HG1 GLU 109 218.615 20.256 -2.844 872 H ALA 110 HN ALA 110 216.650 22.913 0.065 873 HA ALA 110 HA ALA 110 215.356 20.415 0.521 874 HB1 ALA 110 HB1 ALA 110 213.696 21.628 1.461 875 HB2 ALA 110 HB2 ALA 110 213.692 22.827 0.168 876 HB3 ALA 110 HB3 ALA 110 214.918 22.900 1.433 877 H GLY 111 HN GLY 111 213.348 19.724 -0.550 878 HA2 GLY 111 HA2 GLY 111 212.057 19.252 -2.392 879 HA3 GLY 111 HA1 GLY 111 212.675 20.719 -3.140 880 H ALA 112 HN ALA 112 215.067 18.558 -2.004 881 HA ALA 112 HA ALA 112 215.957 18.060 -4.691 882 HB1 ALA 112 HB1 ALA 112 217.720 16.675 -3.394 883 HB2 ALA 112 HB2 ALA 112 217.022 17.437 -1.965 884 HB3 ALA 112 HB3 ALA 112 217.726 18.432 -3.240 885 H HIS 113 HN HIS 113 215.787 16.239 -5.854 886 HA HIS 113 HA HIS 113 213.817 14.342 -5.243 887 HB2 HIS 113 HB2 HIS 113 216.066 14.283 -7.259 888 HB3 HIS 113 HB1 HIS 113 214.800 13.063 -7.180 889 HD1 HIS 113 HD1 HIS 113 214.093 13.787 -9.606 890 HD2 HIS 113 HD2 HIS 113 213.629 16.713 -6.692 891 HE1 HIS 113 HE1 HIS 113 212.620 15.541 -10.643 892 HE2 HIS 113 HE2 HIS 113 212.281 17.258 -8.831 893 H ILE 114 HN ILE 114 214.217 11.956 -5.200 894 HA ILE 114 HA ILE 114 216.628 11.225 -3.716 895 HB ILE 114 HB ILE 114 215.070 9.706 -2.350 896 HG12 ILE 114 HG12 ILE 114 213.138 11.310 -3.824 897 HG13 ILE 114 HG11 ILE 114 212.902 9.825 -2.917 898 HG21 ILE 114 HG21 ILE 114 216.367 11.538 -1.409 899 HG22 ILE 114 HG22 ILE 114 214.784 11.435 -0.644 900 HG23 ILE 114 HG23 ILE 114 215.099 12.676 -1.856 901 HD11 ILE 114 HD11 ILE 114 212.701 11.095 -0.860 902 HD12 ILE 114 HD12 ILE 114 211.539 11.657 -2.063 903 HD13 ILE 114 HD13 ILE 114 212.999 12.593 -1.742 904 H CYS 115 HN CYS 115 217.003 8.850 -3.689 905 HA CYS 115 HA CYS 115 215.507 7.226 -5.510 906 HB2 CYS 115 HB2 CYS 115 217.432 6.730 -6.979 907 HB3 CYS 115 HB1 CYS 115 216.920 8.409 -7.105 908 HG CYS 115 HG CYS 115 219.288 7.915 -5.218 909 H ALA 116 HN ALA 116 216.726 4.978 -5.681 910 HA ALA 116 HA ALA 116 217.619 4.384 -2.957 911 HB1 ALA 116 HB1 ALA 116 216.174 2.897 -5.013 912 HB2 ALA 116 HB2 ALA 116 216.180 2.699 -3.260 913 HB3 ALA 116 HB3 ALA 116 217.454 1.968 -4.234 914 H TRP 117 HN TRP 117 219.676 3.969 -2.522 915 HA TRP 117 HA TRP 117 221.437 3.219 -4.747 916 HB2 TRP 117 HB2 TRP 117 221.754 5.595 -4.390 917 HB3 TRP 117 HB1 TRP 117 222.058 5.330 -2.680 918 HD1 TRP 117 HD1 TRP 117 224.528 5.109 -2.022 919 HE1 TRP 117 HE1 TRP 117 226.736 4.712 -3.284 920 HE3 TRP 117 HE3 TRP 117 222.647 4.255 -6.698 921 HZ2 TRP 117 HZ2 TRP 117 227.569 4.115 -5.915 922 HZ3 TRP 117 HZ3 TRP 117 224.217 3.779 -8.532 923 HH2 TRP 117 HH2 TRP 117 226.627 3.711 -8.147 924 H LYS 118 HN LYS 118 223.506 2.375 -4.074 925 HA LYS 118 HA LYS 118 223.219 0.256 -2.235 926 HB2 LYS 118 HB2 LYS 118 224.842 0.580 -4.284 927 HB3 LYS 118 HB1 LYS 118 225.927 1.221 -3.058 928 HG2 LYS 118 HG2 LYS 118 224.990 -1.138 -1.953 929 HG3 LYS 118 HG1 LYS 118 225.222 -1.519 -3.660 930 HD2 LYS 118 HD2 LYS 118 227.351 -0.033 -2.186 931 HD3 LYS 118 HD1 LYS 118 227.198 -1.777 -1.961 932 HE2 LYS 118 HE2 LYS 118 228.803 -1.272 -3.718 933 HE3 LYS 118 HE1 LYS 118 227.395 -2.105 -4.377 934 HZ1 LYS 118 HZ1 LYS 118 228.142 -0.208 -5.737 935 HZ2 LYS 118 HZ2 LYS 118 227.787 0.836 -4.455 936 HZ3 LYS 118 HZ3 LYS 118 226.546 -0.039 -5.200 937 H GLN 119 HN GLN 119 223.397 0.238 -0.093 938 HA GLN 119 HA GLN 119 223.886 2.479 1.464 939 HB2 GLN 119 HB2 GLN 119 222.757 0.362 2.196 940 HB3 GLN 119 HB1 GLN 119 224.347 -0.379 2.323 941 HG2 GLN 119 HG2 GLN 119 224.330 0.303 4.435 942 HG3 GLN 119 HG1 GLN 119 224.630 1.918 3.795 943 HE21 GLN 119 HE21 GLN 119 221.776 -0.187 3.936 944 HE22 GLN 119 HE22 GLN 119 220.746 0.972 4.697 945 H HIS 120 HN HIS 120 225.668 3.580 1.906 946 HA HIS 120 HA HIS 120 228.250 2.164 1.869 947 HB2 HIS 120 HB2 HIS 120 229.251 4.307 1.006 948 HB3 HIS 120 HB1 HIS 120 228.203 3.468 -0.132 949 HD1 HIS 120 HD1 HIS 120 228.795 6.722 1.279 950 HD2 HIS 120 HD2 HIS 120 225.477 4.670 -0.148 951 HE1 HIS 120 HE1 HIS 120 227.061 8.484 0.823 952 HE2 HIS 120 HE2 HIS 120 225.107 7.230 -0.155 953 H GLY 121 HN GLY 121 226.115 3.628 3.835 954 HA2 GLY 121 HA2 GLY 121 226.383 4.221 6.060 955 HA3 GLY 121 HA1 GLY 121 228.124 4.146 5.839 956 H GLY 122 HN GLY 122 226.805 6.044 3.419 957 HA2 GLY 122 HA2 GLY 122 228.010 8.409 4.381 958 HA3 GLY 122 HA1 GLY 122 226.915 8.301 3.012 959 HA PRO 123 HA PRO 123 224.962 10.266 6.963 960 HB2 PRO 123 HB2 PRO 123 225.245 12.904 6.318 961 HB3 PRO 123 HB1 PRO 123 226.387 12.020 7.337 962 HG2 PRO 123 HG2 PRO 123 226.564 12.679 4.422 963 HG3 PRO 123 HG1 PRO 123 227.825 12.760 5.667 964 HD2 PRO 123 HD2 PRO 123 227.668 10.711 3.925 965 HD3 PRO 123 HD1 PRO 123 228.216 10.482 5.598 966 H ASN 124 HN ASN 124 224.902 10.846 3.526 967 HA ASN 124 HA ASN 124 222.330 12.115 3.496 968 HB2 ASN 124 HB2 ASN 124 222.490 11.723 1.014 969 HB3 ASN 124 HB1 ASN 124 223.828 12.636 1.706 970 HD21 ASN 124 HD21 ASN 124 224.317 11.620 -0.651 971 HD22 ASN 124 HD22 ASN 124 225.328 10.222 -0.566 972 H GLN 125 HN GLN 125 223.185 9.001 4.171 973 HA GLN 125 HA GLN 125 220.767 7.877 2.931 974 HB2 GLN 125 HB2 GLN 125 222.919 6.210 4.194 975 HB3 GLN 125 HB1 GLN 125 221.763 5.763 2.950 976 HG2 GLN 125 HG2 GLN 125 223.486 7.893 2.047 977 HG3 GLN 125 HG1 GLN 125 224.417 6.505 2.602 978 HE21 GLN 125 HE21 GLN 125 222.799 4.424 1.913 979 HE22 GLN 125 HE22 GLN 125 222.641 4.344 0.195 980 H LYS 126 HN LYS 126 221.437 9.352 5.670 981 HA LYS 126 HA LYS 126 220.192 7.363 7.435 982 HB2 LYS 126 HB2 LYS 126 221.302 9.985 8.377 983 HB3 LYS 126 HB1 LYS 126 221.123 8.479 9.263 984 HG2 LYS 126 HG2 LYS 126 223.046 8.818 6.980 985 HG3 LYS 126 HG1 LYS 126 223.473 9.137 8.662 986 HD2 LYS 126 HD2 LYS 126 222.312 6.512 7.761 987 HD3 LYS 126 HD1 LYS 126 224.047 6.832 7.749 988 HE2 LYS 126 HE2 LYS 126 223.872 7.407 10.177 989 HE3 LYS 126 HE1 LYS 126 222.197 6.857 10.128 990 HZ1 LYS 126 HZ1 LYS 126 223.137 4.919 10.727 991 HZ2 LYS 126 HZ2 LYS 126 224.657 5.314 10.098 992 HZ3 LYS 126 HZ3 LYS 126 223.436 4.758 9.069 993 H PHE 127 HN PHE 127 218.224 7.676 8.359 994 HA PHE 127 HA PHE 127 216.900 10.265 8.014 995 HB2 PHE 127 HB2 PHE 127 215.428 7.694 7.495 996 HB3 PHE 127 HB1 PHE 127 214.936 9.333 7.094 997 HD1 PHE 127 HD1 PHE 127 217.117 10.464 5.658 998 HD2 PHE 127 HD2 PHE 127 215.674 6.462 5.585 999 HE1 PHE 127 HE1 PHE 127 218.026 10.182 3.390 1000 HE2 PHE 127 HE2 PHE 127 216.582 6.172 3.318 1001 HZ PHE 127 HZ PHE 127 217.760 8.032 2.218 1002 H ILE 128 HN ILE 128 215.118 10.599 9.473 1003 HA ILE 128 HA ILE 128 215.300 8.891 11.863 1004 HB ILE 128 HB ILE 128 214.181 11.627 12.071 1005 HG12 ILE 128 HG12 ILE 128 217.158 11.087 11.949 1006 HG13 ILE 128 HG11 ILE 128 216.235 11.921 10.703 1007 HG21 ILE 128 HG21 ILE 128 216.150 10.486 13.967 1008 HG22 ILE 128 HG22 ILE 128 214.566 9.716 13.870 1009 HG23 ILE 128 HG23 ILE 128 214.691 11.428 14.276 1010 HD11 ILE 128 HD11 ILE 128 216.616 12.853 13.540 1011 HD12 ILE 128 HD12 ILE 128 215.690 13.690 12.293 1012 HD13 ILE 128 HD13 ILE 128 217.433 13.490 12.112 1013 H ILE 129 HN ILE 129 213.493 8.117 12.752 1014 HA ILE 129 HA ILE 129 210.975 8.628 11.323 1015 HB ILE 129 HB ILE 129 211.681 6.142 12.876 1016 HG12 ILE 129 HG12 ILE 129 213.198 6.274 11.005 1017 HG13 ILE 129 HG11 ILE 129 211.955 5.087 10.624 1018 HG21 ILE 129 HG21 ILE 129 209.435 6.005 12.763 1019 HG22 ILE 129 HG22 ILE 129 209.784 5.401 11.142 1020 HG23 ILE 129 HG23 ILE 129 209.329 7.089 11.376 1021 HD11 ILE 129 HD11 ILE 129 210.850 6.623 9.166 1022 HD12 ILE 129 HD12 ILE 129 212.561 6.580 8.740 1023 HD13 ILE 129 HD13 ILE 129 211.916 7.936 9.664 1024 H GLU 130 HN GLU 130 209.119 9.041 12.453 1025 HA GLU 130 HA GLU 130 209.222 9.001 15.380 1026 HB2 GLU 130 HB2 GLU 130 208.497 11.387 13.677 1027 HB3 GLU 130 HB1 GLU 130 208.082 11.258 15.381 1028 HG2 GLU 130 HG2 GLU 130 210.293 11.407 16.063 1029 HG3 GLU 130 HG1 GLU 130 210.914 10.952 14.477 1030 H SER 131 HN SER 131 207.769 7.326 15.494 1031 HA SER 131 HA SER 131 205.514 6.881 13.985 1032 HB2 SER 131 HB2 SER 131 206.654 5.606 16.074 1033 HB3 SER 131 HB1 SER 131 205.237 6.286 16.874 1034 HG SER 131 HG SER 131 205.067 4.853 14.441 1035 H GLU 132 HN GLU 132 203.882 8.188 13.559 1036 HA GLU 132 HA GLU 132 203.168 10.410 15.172 1037 HB2 GLU 132 HB2 GLU 132 202.840 10.144 12.658 1038 HB3 GLU 132 HB1 GLU 132 201.437 9.158 13.045 1039 HG2 GLU 132 HG2 GLU 132 200.931 11.345 14.543 1040 HG3 GLU 132 HG1 GLU 132 201.809 12.066 13.195 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 191.536 -0.647 15.085 2 H2 MET 1 HT2 MET 1 192.292 -2.166 15.339 3 H3 MET 1 HT3 MET 1 192.859 -1.119 14.103 4 HA MET 1 HA MET 1 192.834 -0.332 16.924 5 HB2 MET 1 HB2 MET 1 194.432 -2.362 15.614 6 HB3 MET 1 HB1 MET 1 195.446 -1.044 16.184 7 HG2 MET 1 HG2 MET 1 193.432 -2.028 18.091 8 HG3 MET 1 HG1 MET 1 194.728 -3.151 17.686 9 HE1 MET 1 HE1 MET 1 195.506 1.096 19.274 10 HE2 MET 1 HE2 MET 1 193.922 0.361 19.526 11 HE3 MET 1 HE3 MET 1 194.505 0.660 17.889 12 H LYS 2 HN LYS 2 192.253 1.100 14.445 13 HA LYS 2 HA LYS 2 192.761 3.080 13.448 14 HB2 LYS 2 HB2 LYS 2 194.814 3.412 15.640 15 HB3 LYS 2 HB1 LYS 2 194.082 4.684 14.672 16 HG2 LYS 2 HG2 LYS 2 191.960 4.354 15.712 17 HG3 LYS 2 HG1 LYS 2 192.536 2.907 16.543 18 HD2 LYS 2 HD2 LYS 2 194.011 4.192 17.911 19 HD3 LYS 2 HD1 LYS 2 193.719 5.648 16.958 20 HE2 LYS 2 HE2 LYS 2 191.608 5.963 17.847 21 HE3 LYS 2 HE1 LYS 2 191.435 4.269 18.303 22 HZ1 LYS 2 HZ1 LYS 2 193.564 5.763 19.614 23 HZ2 LYS 2 HZ2 LYS 2 192.524 4.585 20.240 24 HZ3 LYS 2 HZ3 LYS 2 191.981 6.175 20.047 25 HA PRO 3 HA PRO 3 196.051 2.363 10.614 26 HB2 PRO 3 HB2 PRO 3 196.876 4.951 10.103 27 HB3 PRO 3 HB1 PRO 3 195.486 4.170 9.344 28 HG2 PRO 3 HG2 PRO 3 195.569 6.047 11.670 29 HG3 PRO 3 HG1 PRO 3 194.417 5.981 10.323 30 HD2 PRO 3 HD2 PRO 3 193.791 5.010 12.737 31 HD3 PRO 3 HD1 PRO 3 193.248 4.201 11.251 32 H LYS 4 HN LYS 4 198.411 3.234 10.160 33 HA LYS 4 HA LYS 4 199.823 3.907 12.616 34 HB2 LYS 4 HB2 LYS 4 200.501 1.416 11.043 35 HB3 LYS 4 HB1 LYS 4 201.348 2.015 12.462 36 HG2 LYS 4 HG2 LYS 4 198.473 1.125 12.442 37 HG3 LYS 4 HG1 LYS 4 199.836 0.119 12.933 38 HD2 LYS 4 HD2 LYS 4 199.387 2.792 14.205 39 HD3 LYS 4 HD1 LYS 4 198.472 1.382 14.742 40 HE2 LYS 4 HE2 LYS 4 201.266 0.736 14.507 41 HE3 LYS 4 HE1 LYS 4 201.049 2.156 15.530 42 HZ1 LYS 4 HZ1 LYS 4 199.906 0.975 17.086 43 HZ2 LYS 4 HZ2 LYS 4 200.909 -0.256 16.505 44 HZ3 LYS 4 HZ3 LYS 4 199.305 -0.155 15.979 45 H PHE 5 HN PHE 5 200.185 5.849 11.386 46 HA PHE 5 HA PHE 5 202.028 5.570 9.125 47 HB2 PHE 5 HB2 PHE 5 201.605 8.186 9.107 48 HB3 PHE 5 HB1 PHE 5 200.453 7.067 8.387 49 HD1 PHE 5 HD1 PHE 5 198.320 6.628 9.442 50 HD2 PHE 5 HD2 PHE 5 201.097 9.362 11.146 51 HE1 PHE 5 HE1 PHE 5 196.543 7.526 10.884 52 HE2 PHE 5 HE2 PHE 5 199.326 10.265 12.594 53 HZ PHE 5 HZ PHE 5 197.044 9.347 12.466 54 H PHE 6 HN PHE 6 203.651 7.576 9.072 55 HA PHE 6 HA PHE 6 204.659 8.262 11.704 56 HB2 PHE 6 HB2 PHE 6 206.912 7.135 10.288 57 HB3 PHE 6 HB1 PHE 6 206.365 6.845 11.928 58 HD1 PHE 6 HD2 PHE 6 204.646 5.056 12.334 59 HD2 PHE 6 HD1 PHE 6 206.590 5.575 8.585 60 HE1 PHE 6 HE2 PHE 6 204.013 2.767 11.692 61 HE2 PHE 6 HE1 PHE 6 205.965 3.288 7.936 62 HZ PHE 6 HZ PHE 6 204.674 1.878 9.492 63 H TYR 7 HN TYR 7 206.883 9.364 11.460 64 HA TYR 7 HA TYR 7 206.691 11.155 9.147 65 HB2 TYR 7 HB2 TYR 7 207.420 11.573 12.003 66 HB3 TYR 7 HB1 TYR 7 208.263 12.548 10.807 67 HD1 TYR 7 HD1 TYR 7 206.645 13.689 9.019 68 HD2 TYR 7 HD2 TYR 7 205.477 12.412 12.906 69 HE1 TYR 7 HE1 TYR 7 204.749 15.252 8.957 70 HE2 TYR 7 HE2 TYR 7 203.576 13.970 12.853 71 HH TYR 7 HH TYR 7 202.163 15.086 10.922 72 H ILE 8 HN ILE 8 208.286 11.069 7.687 73 HA ILE 8 HA ILE 8 210.785 9.724 8.469 74 HB ILE 8 HB ILE 8 210.633 10.022 5.630 75 HG12 ILE 8 HG12 ILE 8 208.168 10.151 5.990 76 HG13 ILE 8 HG11 ILE 8 208.658 8.721 5.088 77 HG21 ILE 8 HG21 ILE 8 210.942 7.640 5.650 78 HG22 ILE 8 HG22 ILE 8 210.376 7.539 7.317 79 HG23 ILE 8 HG23 ILE 8 211.899 8.348 6.951 80 HD11 ILE 8 HD11 ILE 8 208.455 8.376 8.000 81 HD12 ILE 8 HD12 ILE 8 207.950 7.314 6.686 82 HD13 ILE 8 HD13 ILE 8 206.941 8.684 7.150 83 H LYS 9 HN LYS 9 212.227 11.213 9.034 84 HA LYS 9 HA LYS 9 212.391 13.694 7.481 85 HB2 LYS 9 HB2 LYS 9 212.040 13.958 9.875 86 HB3 LYS 9 HB1 LYS 9 213.470 12.993 10.210 87 HG2 LYS 9 HG2 LYS 9 214.560 14.923 10.327 88 HG3 LYS 9 HG1 LYS 9 214.439 14.967 8.567 89 HD2 LYS 9 HD2 LYS 9 213.052 16.699 8.627 90 HD3 LYS 9 HD1 LYS 9 212.011 15.906 9.808 91 HE2 LYS 9 HE2 LYS 9 214.585 16.976 10.799 92 HE3 LYS 9 HE1 LYS 9 213.366 18.159 10.326 93 HZ1 LYS 9 HZ1 LYS 9 213.374 16.294 12.558 94 HZ2 LYS 9 HZ2 LYS 9 211.886 16.518 11.786 95 HZ3 LYS 9 HZ3 LYS 9 212.705 17.844 12.442 96 H SER 10 HN SER 10 214.154 14.243 6.338 97 HA SER 10 HA SER 10 216.212 12.286 5.907 98 HB2 SER 10 HB2 SER 10 217.159 14.009 4.362 99 HB3 SER 10 HB1 SER 10 215.469 13.636 4.026 100 HG SER 10 HG SER 10 214.910 15.594 4.606 101 H GLU 11 HN GLU 11 217.651 12.006 7.485 102 HA GLU 11 HA GLU 11 218.372 13.914 9.404 103 HB2 GLU 11 HB2 GLU 11 218.607 11.546 9.846 104 HB3 GLU 11 HB1 GLU 11 219.779 11.384 8.547 105 HG2 GLU 11 HG2 GLU 11 221.474 12.116 9.810 106 HG3 GLU 11 HG1 GLU 11 220.494 13.361 10.583 107 H LEU 12 HN LEU 12 219.277 13.714 6.179 108 HA LEU 12 HA LEU 12 221.931 14.808 6.532 109 HB2 LEU 12 HB2 LEU 12 221.507 13.331 4.655 110 HB3 LEU 12 HB1 LEU 12 220.239 14.390 4.069 111 HG LEU 12 HG LEU 12 222.033 16.171 3.796 112 HD11 LEU 12 HD11 LEU 12 223.599 14.526 5.232 113 HD12 LEU 12 HD12 LEU 12 224.222 15.728 4.101 114 HD13 LEU 12 HD13 LEU 12 224.063 14.044 3.600 115 HD21 LEU 12 HD21 LEU 12 221.076 14.307 2.086 116 HD22 LEU 12 HD22 LEU 12 222.806 13.980 1.994 117 HD23 LEU 12 HD23 LEU 12 222.192 15.592 1.628 118 H ASN 13 HN ASN 13 219.019 15.983 4.826 119 HA ASN 13 HA ASN 13 219.949 18.706 4.949 120 HB2 ASN 13 HB2 ASN 13 217.216 17.846 4.051 121 HB3 ASN 13 HB1 ASN 13 218.180 19.199 3.486 122 HD21 ASN 13 HD21 ASN 13 216.897 16.648 2.316 123 HD22 ASN 13 HD22 ASN 13 218.136 16.027 1.286 124 H GLY 14 HN GLY 14 218.166 16.726 7.047 125 HA2 GLY 14 HA2 GLY 14 217.129 17.267 9.041 126 HA3 GLY 14 HA1 GLY 14 217.502 18.959 8.728 127 H LYS 15 HN LYS 15 216.055 17.727 6.023 128 HA LYS 15 HA LYS 15 213.513 18.984 6.662 129 HB2 LYS 15 HB2 LYS 15 214.384 17.831 4.014 130 HB3 LYS 15 HB1 LYS 15 213.155 19.043 4.308 131 HG2 LYS 15 HG2 LYS 15 216.120 19.401 4.644 132 HG3 LYS 15 HG1 LYS 15 215.123 20.055 3.343 133 HD2 LYS 15 HD2 LYS 15 214.372 20.699 6.148 134 HD3 LYS 15 HD1 LYS 15 215.783 21.503 5.459 135 HE2 LYS 15 HE2 LYS 15 213.859 21.680 3.469 136 HE3 LYS 15 HE1 LYS 15 212.961 21.952 4.962 137 HZ1 LYS 15 HZ1 LYS 15 215.497 23.372 4.554 138 HZ2 LYS 15 HZ2 LYS 15 214.129 23.845 5.429 139 HZ3 LYS 15 HZ3 LYS 15 214.118 23.919 3.739 140 H VAL 16 HN VAL 16 211.665 17.712 5.234 141 HA VAL 16 HA VAL 16 211.796 14.905 6.116 142 HB VAL 16 HB VAL 16 209.279 15.063 6.325 143 HG11 VAL 16 HG11 VAL 16 210.835 15.034 8.250 144 HG12 VAL 16 HG12 VAL 16 209.357 15.943 8.567 145 HG13 VAL 16 HG13 VAL 16 210.860 16.797 8.217 146 HG21 VAL 16 HG21 VAL 16 208.162 17.066 6.283 147 HG22 VAL 16 HG22 VAL 16 209.385 17.353 5.045 148 HG23 VAL 16 HG23 VAL 16 209.605 18.003 6.670 149 H LEU 17 HN LEU 17 211.018 13.357 4.723 150 HA LEU 17 HA LEU 17 211.000 14.033 1.953 151 HB2 LEU 17 HB2 LEU 17 209.938 11.434 3.008 152 HB3 LEU 17 HB1 LEU 17 210.821 11.742 1.525 153 HG LEU 17 HG LEU 17 211.946 11.663 4.323 154 HD11 LEU 17 HD11 LEU 17 212.848 10.009 2.007 155 HD12 LEU 17 HD12 LEU 17 211.412 9.542 2.918 156 HD13 LEU 17 HD13 LEU 17 212.968 9.683 3.736 157 HD21 LEU 17 HD21 LEU 17 213.480 12.178 1.786 158 HD22 LEU 17 HD22 LEU 17 214.062 12.262 3.449 159 HD23 LEU 17 HD23 LEU 17 212.922 13.468 2.852 160 H ASP 18 HN ASP 18 209.298 14.403 0.588 161 HA ASP 18 HA ASP 18 206.584 13.831 1.496 162 HB2 ASP 18 HB2 ASP 18 207.279 16.175 2.230 163 HB3 ASP 18 HB1 ASP 18 207.330 16.589 0.519 164 H ILE 19 HN ILE 19 205.044 13.761 -0.189 165 HA ILE 19 HA ILE 19 206.140 13.039 -2.741 166 HB ILE 19 HB ILE 19 203.217 13.571 -2.457 167 HG12 ILE 19 HG12 ILE 19 203.789 12.461 -0.331 168 HG13 ILE 19 HG11 ILE 19 202.842 11.409 -1.372 169 HG21 ILE 19 HG21 ILE 19 204.686 12.541 -4.438 170 HG22 ILE 19 HG22 ILE 19 203.002 12.100 -4.153 171 HG23 ILE 19 HG23 ILE 19 204.298 11.059 -3.563 172 HD11 ILE 19 HD11 ILE 19 205.031 10.372 -2.090 173 HD12 ILE 19 HD12 ILE 19 204.511 10.059 -0.434 174 HD13 ILE 19 HD13 ILE 19 205.770 11.252 -0.752 175 H GLU 20 HN GLU 20 205.872 14.123 -4.736 176 HA GLU 20 HA GLU 20 206.182 16.891 -4.680 177 HB2 GLU 20 HB2 GLU 20 205.927 14.813 -6.722 178 HB3 GLU 20 HB1 GLU 20 205.302 16.372 -7.242 179 HG2 GLU 20 HG2 GLU 20 207.672 17.075 -6.096 180 HG3 GLU 20 HG1 GLU 20 208.052 15.500 -6.791 181 H GLY 21 HN GLY 21 204.796 18.495 -4.422 182 HA2 GLY 21 HA2 GLY 21 202.797 19.597 -4.111 183 HA3 GLY 21 HA1 GLY 21 202.435 18.959 -5.706 184 H GLN 22 HN GLN 22 202.914 16.858 -2.962 185 HA GLN 22 HA GLN 22 201.550 15.223 -2.128 186 HB2 GLN 22 HB2 GLN 22 199.527 16.133 -1.002 187 HB3 GLN 22 HB1 GLN 22 200.994 17.037 -0.652 188 HG2 GLN 22 HG2 GLN 22 200.347 18.781 -2.165 189 HG3 GLN 22 HG1 GLN 22 198.953 17.848 -2.707 190 HE21 GLN 22 HE21 GLN 22 197.787 16.975 -0.498 191 HE22 GLN 22 HE22 GLN 22 197.297 18.279 0.523 192 H ASN 23 HN ASN 23 201.456 14.628 -4.594 193 HA ASN 23 HA ASN 23 198.674 14.685 -5.525 194 HB2 ASN 23 HB2 ASN 23 200.934 15.238 -6.912 195 HB3 ASN 23 HB1 ASN 23 200.761 13.522 -7.267 196 HD21 ASN 23 HD21 ASN 23 198.889 16.527 -7.187 197 HD22 ASN 23 HD22 ASN 23 197.923 16.166 -8.573 198 HA PRO 24 HA PRO 24 198.678 10.432 -3.950 199 HB2 PRO 24 HB2 PRO 24 195.800 10.556 -4.452 200 HB3 PRO 24 HB1 PRO 24 196.659 10.339 -2.926 201 HG2 PRO 24 HG2 PRO 24 195.313 12.605 -3.522 202 HG3 PRO 24 HG1 PRO 24 196.772 12.598 -2.515 203 HD2 PRO 24 HD2 PRO 24 196.470 13.309 -5.411 204 HD3 PRO 24 HD1 PRO 24 197.431 14.109 -4.148 205 H ALA 25 HN ALA 25 198.174 11.629 -7.014 206 HA ALA 25 HA ALA 25 197.033 9.254 -8.191 207 HB1 ALA 25 HB1 ALA 25 196.746 10.489 -10.057 208 HB2 ALA 25 HB2 ALA 25 198.340 11.234 -9.939 209 HB3 ALA 25 HB3 ALA 25 197.010 11.838 -8.952 210 HA PRO 26 HA PRO 26 200.707 6.986 -9.045 211 HB2 PRO 26 HB2 PRO 26 200.225 6.065 -11.569 212 HB3 PRO 26 HB1 PRO 26 199.467 5.397 -10.122 213 HG2 PRO 26 HG2 PRO 26 198.386 7.375 -12.082 214 HG3 PRO 26 HG1 PRO 26 197.578 5.988 -11.329 215 HD2 PRO 26 HD2 PRO 26 197.182 8.501 -10.460 216 HD3 PRO 26 HD1 PRO 26 197.211 7.120 -9.344 217 H GLY 27 HN GLY 27 202.722 7.600 -9.621 218 HA2 GLY 27 HA2 GLY 27 204.275 8.213 -11.355 219 HA3 GLY 27 HA1 GLY 27 203.019 9.211 -12.068 220 H SER 28 HN SER 28 202.879 9.678 -8.774 221 HA SER 28 HA SER 28 203.957 12.305 -8.994 222 HB2 SER 28 HB2 SER 28 202.093 11.221 -7.386 223 HB3 SER 28 HB1 SER 28 203.481 11.150 -6.300 224 HG SER 28 HG SER 28 202.715 13.496 -7.690 225 H LYS 29 HN LYS 29 205.949 12.996 -8.625 226 HA LYS 29 HA LYS 29 208.018 11.137 -7.908 227 HB2 LYS 29 HB2 LYS 29 207.967 14.041 -8.685 228 HB3 LYS 29 HB1 LYS 29 209.436 13.298 -8.071 229 HG2 LYS 29 HG2 LYS 29 207.903 12.298 -10.459 230 HG3 LYS 29 HG1 LYS 29 209.298 13.377 -10.544 231 HD2 LYS 29 HD2 LYS 29 210.685 11.688 -9.464 232 HD3 LYS 29 HD1 LYS 29 209.291 10.614 -9.329 233 HE2 LYS 29 HE2 LYS 29 210.606 9.930 -11.217 234 HE3 LYS 29 HE1 LYS 29 209.101 10.637 -11.803 235 HZ1 LYS 29 HZ1 LYS 29 211.429 11.297 -12.805 236 HZ2 LYS 29 HZ2 LYS 29 211.411 12.407 -11.528 237 HZ3 LYS 29 HZ3 LYS 29 210.170 12.420 -12.677 238 H ILE 30 HN ILE 30 209.587 11.586 -6.178 239 HA ILE 30 HA ILE 30 208.258 12.861 -3.867 240 HB ILE 30 HB ILE 30 209.445 11.269 -2.422 241 HG12 ILE 30 HG12 ILE 30 210.260 9.928 -5.012 242 HG13 ILE 30 HG11 ILE 30 211.348 10.849 -3.978 243 HG21 ILE 30 HG21 ILE 30 208.070 9.534 -4.398 244 HG22 ILE 30 HG22 ILE 30 207.161 10.891 -3.731 245 HG23 ILE 30 HG23 ILE 30 207.839 9.669 -2.654 246 HD11 ILE 30 HD11 ILE 30 211.812 8.927 -2.979 247 HD12 ILE 30 HD12 ILE 30 210.462 8.113 -3.764 248 HD13 ILE 30 HD13 ILE 30 210.200 9.007 -2.268 249 H ILE 31 HN ILE 31 209.477 14.094 -2.434 250 HA ILE 31 HA ILE 31 212.314 14.470 -2.869 251 HB ILE 31 HB ILE 31 212.285 16.783 -3.379 252 HG12 ILE 31 HG12 ILE 31 210.200 17.245 -1.994 253 HG13 ILE 31 HG11 ILE 31 210.362 18.163 -3.484 254 HG21 ILE 31 HG21 ILE 31 210.276 15.421 -5.165 255 HG22 ILE 31 HG22 ILE 31 212.028 15.262 -5.280 256 HG23 ILE 31 HG23 ILE 31 211.263 16.822 -5.579 257 HD11 ILE 31 HD11 ILE 31 208.102 17.465 -3.263 258 HD12 ILE 31 HD12 ILE 31 208.590 15.792 -2.992 259 HD13 ILE 31 HD13 ILE 31 208.836 16.538 -4.571 260 H THR 32 HN THR 32 213.024 16.437 -1.390 261 HA THR 32 HA THR 32 211.769 15.902 1.212 262 HB THR 32 HB THR 32 213.794 16.290 2.234 263 HG1 THR 32 HG1 THR 32 214.695 17.765 -0.010 264 HG21 THR 32 HG21 THR 32 214.549 15.369 -0.522 265 HG22 THR 32 HG22 THR 32 214.234 14.379 0.903 266 HG23 THR 32 HG23 THR 32 215.665 15.409 0.844 267 H TRP 33 HN TRP 33 211.202 17.600 2.633 268 HA TRP 33 HA TRP 33 211.421 20.342 1.763 269 HB2 TRP 33 HB2 TRP 33 209.427 19.319 0.525 270 HB3 TRP 33 HB1 TRP 33 208.638 19.229 2.096 271 HD1 TRP 33 HD1 TRP 33 207.097 21.211 2.521 272 HE1 TRP 33 HE1 TRP 33 207.024 23.687 1.822 273 HE3 TRP 33 HE3 TRP 33 211.378 21.392 -0.267 274 HZ2 TRP 33 HZ2 TRP 33 208.577 25.478 0.293 275 HZ3 TRP 33 HZ3 TRP 33 212.013 23.526 -1.314 276 HH2 TRP 33 HH2 TRP 33 210.640 25.526 -1.040 277 H ASP 34 HN ASP 34 210.102 21.790 3.352 278 HA ASP 34 HA ASP 34 210.985 21.157 5.978 279 HB2 ASP 34 HB2 ASP 34 208.992 23.302 5.240 280 HB3 ASP 34 HB1 ASP 34 210.075 23.270 6.628 281 H GLN 35 HN GLN 35 209.943 20.242 7.652 282 HA GLN 35 HA GLN 35 207.642 18.711 7.271 283 HB2 GLN 35 HB2 GLN 35 207.669 18.352 9.678 284 HB3 GLN 35 HB1 GLN 35 209.304 18.277 9.036 285 HG2 GLN 35 HG2 GLN 35 209.083 20.910 9.714 286 HG3 GLN 35 HG1 GLN 35 208.120 20.122 10.964 287 HE21 GLN 35 HE21 GLN 35 209.312 19.962 12.721 288 HE22 GLN 35 HE22 GLN 35 210.951 19.421 12.794 289 H LYS 36 HN LYS 36 205.502 19.016 7.663 290 HA LYS 36 HA LYS 36 204.667 21.777 8.204 291 HB2 LYS 36 HB2 LYS 36 203.066 19.504 7.017 292 HB3 LYS 36 HB1 LYS 36 202.553 21.181 7.148 293 HG2 LYS 36 HG2 LYS 36 205.049 20.535 5.655 294 HG3 LYS 36 HG1 LYS 36 203.481 20.244 4.898 295 HD2 LYS 36 HD2 LYS 36 204.171 22.882 6.161 296 HD3 LYS 36 HD1 LYS 36 204.590 22.513 4.487 297 HE2 LYS 36 HE2 LYS 36 201.790 22.134 5.478 298 HE3 LYS 36 HE1 LYS 36 202.361 23.731 4.996 299 HZ1 LYS 36 HZ1 LYS 36 202.182 21.295 3.318 300 HZ2 LYS 36 HZ2 LYS 36 203.023 22.682 2.839 301 HZ3 LYS 36 HZ3 LYS 36 201.355 22.757 3.113 302 H LYS 37 HN LYS 37 202.775 22.132 9.546 303 HA LYS 37 HA LYS 37 202.482 20.067 11.629 304 HB2 LYS 37 HB2 LYS 37 202.317 23.069 11.950 305 HB3 LYS 37 HB1 LYS 37 202.088 21.888 13.232 306 HG2 LYS 37 HG2 LYS 37 204.258 22.480 13.599 307 HG3 LYS 37 HG1 LYS 37 204.489 21.111 12.508 308 HD2 LYS 37 HD2 LYS 37 205.821 22.604 11.436 309 HD3 LYS 37 HD1 LYS 37 204.286 23.064 10.695 310 HE2 LYS 37 HE2 LYS 37 204.342 25.088 11.628 311 HE3 LYS 37 HE1 LYS 37 204.719 24.424 13.217 312 HZ1 LYS 37 HZ1 LYS 37 206.725 24.815 11.065 313 HZ2 LYS 37 HZ2 LYS 37 207.026 24.374 12.670 314 HZ3 LYS 37 HZ3 LYS 37 206.448 25.923 12.313 315 H GLY 38 HN GLY 38 200.608 19.078 11.100 316 HA2 GLY 38 HA2 GLY 38 198.165 19.767 11.782 317 HA3 GLY 38 HA1 GLY 38 198.309 20.705 10.304 318 HA PRO 39 HA PRO 39 196.629 16.515 9.199 319 HB2 PRO 39 HB2 PRO 39 194.720 18.017 7.577 320 HB3 PRO 39 HB1 PRO 39 194.414 16.856 8.870 321 HG2 PRO 39 HG2 PRO 39 193.919 19.502 9.141 322 HG3 PRO 39 HG1 PRO 39 194.405 18.474 10.501 323 HD2 PRO 39 HD2 PRO 39 196.059 20.367 8.869 324 HD3 PRO 39 HD1 PRO 39 196.062 20.095 10.626 325 H THR 40 HN THR 40 198.159 19.053 7.625 326 HA THR 40 HA THR 40 197.977 17.846 4.975 327 HB THR 40 HB THR 40 199.574 19.880 4.488 328 HG1 THR 40 HG1 THR 40 199.130 21.590 5.952 329 HG21 THR 40 HG21 THR 40 197.284 21.340 4.871 330 HG22 THR 40 HG22 THR 40 196.686 19.691 4.681 331 HG23 THR 40 HG23 THR 40 197.698 20.412 3.430 332 H ALA 41 HN ALA 41 199.753 17.263 7.653 333 HA ALA 41 HA ALA 41 202.367 17.061 6.450 334 HB1 ALA 41 HB1 ALA 41 202.416 17.588 8.729 335 HB2 ALA 41 HB2 ALA 41 202.893 15.892 8.656 336 HB3 ALA 41 HB3 ALA 41 201.253 16.327 9.137 337 H VAL 42 HN VAL 42 199.599 15.168 6.367 338 HA VAL 42 HA VAL 42 200.410 12.530 6.605 339 HB VAL 42 HB VAL 42 198.515 13.680 4.538 340 HG11 VAL 42 HG11 VAL 42 198.267 10.952 5.722 341 HG12 VAL 42 HG12 VAL 42 199.357 11.224 4.364 342 HG13 VAL 42 HG13 VAL 42 197.638 11.578 4.201 343 HG21 VAL 42 HG21 VAL 42 197.761 14.429 6.639 344 HG22 VAL 42 HG22 VAL 42 198.115 12.881 7.407 345 HG23 VAL 42 HG23 VAL 42 196.781 13.013 6.261 346 H ASN 43 HN ASN 43 200.979 14.801 3.975 347 HA ASN 43 HA ASN 43 201.897 12.878 2.109 348 HB2 ASN 43 HB2 ASN 43 201.290 15.571 2.020 349 HB3 ASN 43 HB1 ASN 43 203.034 15.546 1.773 350 HD21 ASN 43 HD21 ASN 43 199.970 14.321 0.592 351 HD22 ASN 43 HD22 ASN 43 200.505 13.994 -1.017 352 H GLN 44 HN GLN 44 203.264 13.917 4.953 353 HA GLN 44 HA GLN 44 205.984 13.262 4.037 354 HB2 GLN 44 HB2 GLN 44 204.956 15.147 6.136 355 HB3 GLN 44 HB1 GLN 44 206.553 14.441 6.302 356 HG2 GLN 44 HG2 GLN 44 207.427 15.860 4.844 357 HG3 GLN 44 HG1 GLN 44 206.175 15.507 3.656 358 HE21 GLN 44 HE21 GLN 44 206.900 17.950 3.500 359 HE22 GLN 44 HE22 GLN 44 205.830 19.049 4.296 360 H LEU 45 HN LEU 45 203.404 11.930 5.309 361 HA LEU 45 HA LEU 45 204.876 10.358 7.297 362 HB2 LEU 45 HB2 LEU 45 201.987 11.112 7.155 363 HB3 LEU 45 HB1 LEU 45 202.551 9.852 8.179 364 HG LEU 45 HG LEU 45 204.175 12.102 8.711 365 HD11 LEU 45 HD11 LEU 45 201.670 12.924 7.772 366 HD12 LEU 45 HD12 LEU 45 202.889 13.894 8.591 367 HD13 LEU 45 HD13 LEU 45 201.619 13.101 9.523 368 HD21 LEU 45 HD21 LEU 45 203.743 11.522 10.845 369 HD22 LEU 45 HD22 LEU 45 203.045 10.085 10.100 370 HD23 LEU 45 HD23 LEU 45 202.003 11.424 10.580 371 H TRP 46 HN TRP 46 204.774 8.167 7.224 372 HA TRP 46 HA TRP 46 203.231 6.965 5.037 373 HB2 TRP 46 HB2 TRP 46 206.129 6.475 5.700 374 HB3 TRP 46 HB1 TRP 46 205.185 5.514 4.573 375 HD1 TRP 46 HD1 TRP 46 205.912 9.323 4.981 376 HE1 TRP 46 HE1 TRP 46 206.396 10.274 2.636 377 HE3 TRP 46 HE3 TRP 46 205.307 5.057 2.226 378 HZ2 TRP 46 HZ2 TRP 46 206.501 9.340 -0.028 379 HZ3 TRP 46 HZ3 TRP 46 205.607 5.171 -0.210 380 HH2 TRP 46 HH2 TRP 46 206.193 7.270 -1.315 381 H TYR 47 HN TYR 47 203.215 4.536 5.218 382 HA TYR 47 HA TYR 47 203.428 3.608 7.966 383 HB2 TYR 47 HB2 TYR 47 201.169 2.575 7.865 384 HB3 TYR 47 HB1 TYR 47 201.146 4.330 7.878 385 HD1 TYR 47 HD1 TYR 47 200.609 1.338 5.802 386 HD2 TYR 47 HD2 TYR 47 200.244 5.569 6.054 387 HE1 TYR 47 HE1 TYR 47 199.146 1.324 3.826 388 HE2 TYR 47 HE2 TYR 47 198.781 5.566 4.076 389 HH TYR 47 HH TYR 47 198.438 3.994 2.042 390 H THR 48 HN THR 48 203.156 1.177 8.095 391 HA THR 48 HA THR 48 204.315 -0.022 5.671 392 HB THR 48 HB THR 48 205.336 -1.683 7.139 393 HG1 THR 48 HG1 THR 48 204.074 -0.245 9.231 394 HG21 THR 48 HG21 THR 48 206.938 -0.113 7.077 395 HG22 THR 48 HG22 THR 48 206.502 0.093 8.774 396 HG23 THR 48 HG23 THR 48 205.841 1.182 7.554 397 H ASP 49 HN ASP 49 203.391 -1.743 4.703 398 HA ASP 49 HA ASP 49 200.717 -2.431 5.504 399 HB2 ASP 49 HB2 ASP 49 202.493 -3.327 3.239 400 HB3 ASP 49 HB1 ASP 49 200.905 -4.034 3.515 401 H GLN 50 HN GLN 50 200.080 -4.830 5.438 402 HA GLN 50 HA GLN 50 201.347 -6.125 7.613 403 HB2 GLN 50 HB2 GLN 50 199.215 -6.953 5.661 404 HB3 GLN 50 HB1 GLN 50 199.834 -8.076 6.864 405 HG2 GLN 50 HG2 GLN 50 199.205 -5.655 8.189 406 HG3 GLN 50 HG1 GLN 50 197.844 -6.075 7.150 407 HE21 GLN 50 HE21 GLN 50 200.147 -7.884 9.162 408 HE22 GLN 50 HE22 GLN 50 198.950 -8.791 10.015 409 H GLN 51 HN GLN 51 201.804 -6.266 4.184 410 HA GLN 51 HA GLN 51 203.304 -8.753 4.316 411 HB2 GLN 51 HB2 GLN 51 201.758 -8.009 2.385 412 HB3 GLN 51 HB1 GLN 51 203.097 -6.977 1.900 413 HG2 GLN 51 HG2 GLN 51 203.695 -8.754 0.678 414 HG3 GLN 51 HG1 GLN 51 204.383 -9.326 2.197 415 HE21 GLN 51 HE21 GLN 51 201.102 -9.187 0.847 416 HE22 GLN 51 HE22 GLN 51 200.742 -10.857 1.102 417 H GLY 52 HN GLY 52 203.949 -5.561 4.965 418 HA2 GLY 52 HA2 GLY 52 206.101 -4.868 5.698 419 HA3 GLY 52 HA1 GLY 52 206.820 -6.031 4.596 420 H VAL 53 HN VAL 53 204.294 -4.274 3.146 421 HA VAL 53 HA VAL 53 206.260 -2.668 1.690 422 HB VAL 53 HB VAL 53 203.374 -3.209 0.977 423 HG11 VAL 53 HG11 VAL 53 203.899 -1.357 -0.255 424 HG12 VAL 53 HG12 VAL 53 204.470 -2.622 -1.343 425 HG13 VAL 53 HG13 VAL 53 205.616 -1.753 -0.323 426 HG21 VAL 53 HG21 VAL 53 204.604 -5.298 1.001 427 HG22 VAL 53 HG22 VAL 53 205.881 -4.585 0.015 428 HG23 VAL 53 HG23 VAL 53 204.269 -4.815 -0.662 429 H ILE 54 HN ILE 54 206.433 -0.584 2.180 430 HA ILE 54 HA ILE 54 204.524 0.669 3.909 431 HB ILE 54 HB ILE 54 206.023 2.753 3.348 432 HG12 ILE 54 HG12 ILE 54 208.209 0.791 3.027 433 HG13 ILE 54 HG11 ILE 54 207.202 1.052 1.606 434 HG21 ILE 54 HG21 ILE 54 207.753 1.574 5.030 435 HG22 ILE 54 HG22 ILE 54 206.369 0.494 5.194 436 HG23 ILE 54 HG23 ILE 54 206.186 2.217 5.520 437 HD11 ILE 54 HD11 ILE 54 209.142 2.499 1.579 438 HD12 ILE 54 HD12 ILE 54 208.679 3.175 3.141 439 HD13 ILE 54 HD13 ILE 54 207.662 3.445 1.726 440 H ARG 55 HN ARG 55 203.344 2.497 3.522 441 HA ARG 55 HA ARG 55 203.051 3.488 0.810 442 HB2 ARG 55 HB2 ARG 55 200.512 2.772 2.216 443 HB3 ARG 55 HB1 ARG 55 200.809 2.976 0.502 444 HG2 ARG 55 HG2 ARG 55 202.108 0.684 1.874 445 HG3 ARG 55 HG1 ARG 55 200.374 0.610 1.575 446 HD2 ARG 55 HD2 ARG 55 201.509 1.543 -0.805 447 HD3 ARG 55 HD1 ARG 55 202.565 0.244 -0.257 448 HE ARG 55 HE ARG 55 200.507 -1.152 -0.146 449 HH11 ARG 55 HH11 ARG 55 200.618 1.618 -2.274 450 HH12 ARG 55 HH12 ARG 55 199.398 1.003 -3.332 451 HH21 ARG 55 HH21 ARG 55 198.910 -1.955 -1.543 452 HH22 ARG 55 HH22 ARG 55 198.429 -1.021 -2.920 453 H SER 56 HN SER 56 202.678 5.644 0.841 454 HA SER 56 HA SER 56 202.939 7.081 3.213 455 HB2 SER 56 HB2 SER 56 201.663 8.833 1.452 456 HB3 SER 56 HB1 SER 56 203.403 8.615 1.641 457 HG SER 56 HG SER 56 203.283 8.036 -0.381 458 H LYS 57 HN LYS 57 201.638 8.171 4.518 459 HA LYS 57 HA LYS 57 199.206 7.084 5.219 460 HB2 LYS 57 HB2 LYS 57 200.750 8.591 6.565 461 HB3 LYS 57 HB1 LYS 57 199.965 9.942 5.761 462 HG2 LYS 57 HG2 LYS 57 197.787 8.782 6.582 463 HG3 LYS 57 HG1 LYS 57 198.875 8.019 7.740 464 HD2 LYS 57 HD2 LYS 57 199.101 9.907 8.935 465 HD3 LYS 57 HD1 LYS 57 199.284 10.900 7.488 466 HE2 LYS 57 HE2 LYS 57 197.258 11.369 8.944 467 HE3 LYS 57 HE1 LYS 57 196.959 11.129 7.224 468 HZ1 LYS 57 HZ1 LYS 57 196.828 8.680 8.691 469 HZ2 LYS 57 HZ2 LYS 57 195.691 9.370 7.646 470 HZ3 LYS 57 HZ3 LYS 57 195.723 9.821 9.276 471 H LEU 58 HN LEU 58 199.913 9.374 2.735 472 HA LEU 58 HA LEU 58 197.503 10.747 2.515 473 HB2 LEU 58 HB2 LEU 58 198.119 11.182 0.227 474 HB3 LEU 58 HB1 LEU 58 199.536 11.293 1.254 475 HG LEU 58 HG LEU 58 199.746 8.721 0.471 476 HD11 LEU 58 HD11 LEU 58 199.336 8.972 -2.102 477 HD12 LEU 58 HD12 LEU 58 198.116 10.135 -1.582 478 HD13 LEU 58 HD13 LEU 58 198.032 8.462 -1.030 479 HD21 LEU 58 HD21 LEU 58 201.446 10.521 0.348 480 HD22 LEU 58 HD22 LEU 58 200.709 11.065 -1.159 481 HD23 LEU 58 HD23 LEU 58 201.440 9.463 -1.063 482 H ASN 59 HN ASN 59 198.421 7.564 1.307 483 HA ASN 59 HA ASN 59 195.872 6.483 1.370 484 HB2 ASN 59 HB2 ASN 59 196.064 8.263 -0.765 485 HB3 ASN 59 HB1 ASN 59 196.291 6.682 -1.505 486 HD21 ASN 59 HD21 ASN 59 194.480 5.894 -2.266 487 HD22 ASN 59 HD22 ASN 59 192.912 6.064 -1.560 488 H ASP 60 HN ASP 60 195.737 4.445 -0.089 489 HA ASP 60 HA ASP 60 198.010 2.862 0.463 490 HB2 ASP 60 HB2 ASP 60 195.368 2.468 -0.773 491 HB3 ASP 60 HB1 ASP 60 196.620 1.383 -1.371 492 H PHE 61 HN PHE 61 199.681 4.134 -0.584 493 HA PHE 61 HA PHE 61 200.089 3.249 -3.329 494 HB2 PHE 61 HB2 PHE 61 199.960 6.121 -2.459 495 HB3 PHE 61 HB1 PHE 61 200.967 5.644 -3.824 496 HD1 PHE 61 HD2 PHE 61 197.490 5.445 -2.536 497 HD2 PHE 61 HD1 PHE 61 200.042 5.430 -5.941 498 HE1 PHE 61 HE2 PHE 61 195.521 5.506 -4.007 499 HE2 PHE 61 HE1 PHE 61 198.076 5.493 -7.418 500 HZ PHE 61 HZ PHE 61 195.811 5.531 -6.453 501 H ALA 62 HN ALA 62 202.041 2.427 -3.526 502 HA ALA 62 HA ALA 62 204.081 3.129 -1.529 503 HB1 ALA 62 HB1 ALA 62 204.106 0.897 -1.331 504 HB2 ALA 62 HB2 ALA 62 205.072 0.937 -2.806 505 HB3 ALA 62 HB3 ALA 62 203.334 0.651 -2.897 506 H ILE 63 HN ILE 63 206.271 3.413 -2.180 507 HA ILE 63 HA ILE 63 206.524 4.882 -4.649 508 HB ILE 63 HB ILE 63 208.988 4.203 -3.163 509 HG12 ILE 63 HG12 ILE 63 207.922 6.417 -1.771 510 HG13 ILE 63 HG11 ILE 63 206.685 5.168 -1.731 511 HG21 ILE 63 HG21 ILE 63 207.838 6.781 -4.214 512 HG22 ILE 63 HG22 ILE 63 208.994 5.738 -5.039 513 HG23 ILE 63 HG23 ILE 63 209.458 6.567 -3.555 514 HD11 ILE 63 HD11 ILE 63 209.323 4.110 -1.184 515 HD12 ILE 63 HD12 ILE 63 207.830 3.966 -0.256 516 HD13 ILE 63 HD13 ILE 63 208.860 5.384 -0.057 517 H ASP 64 HN ASP 64 207.950 4.392 -6.365 518 HA ASP 64 HA ASP 64 208.942 1.638 -6.413 519 HB2 ASP 64 HB2 ASP 64 208.095 1.232 -8.599 520 HB3 ASP 64 HB1 ASP 64 206.763 1.868 -7.640 521 H ALA 65 HN ALA 65 210.892 1.334 -7.240 522 HA ALA 65 HA ALA 65 212.334 3.717 -8.186 523 HB1 ALA 65 HB1 ALA 65 213.134 1.262 -6.753 524 HB2 ALA 65 HB2 ALA 65 213.686 2.925 -6.559 525 HB3 ALA 65 HB3 ALA 65 214.307 1.939 -7.883 526 H SER 66 HN SER 66 210.607 2.634 -10.043 527 HA SER 66 HA SER 66 211.932 0.801 -11.790 528 HB2 SER 66 HB2 SER 66 209.400 2.341 -11.813 529 HB3 SER 66 HB1 SER 66 210.056 1.896 -13.388 530 HG SER 66 HG SER 66 210.161 -0.289 -12.559 531 H HIS 67 HN HIS 67 211.449 4.303 -11.774 532 HA HIS 67 HA HIS 67 213.178 4.564 -14.120 533 HB2 HIS 67 HB2 HIS 67 211.338 6.488 -12.705 534 HB3 HIS 67 HB1 HIS 67 212.454 6.995 -13.962 535 HD1 HIS 67 HD1 HIS 67 209.152 5.493 -13.439 536 HD2 HIS 67 HD2 HIS 67 211.874 5.855 -16.558 537 HE1 HIS 67 HE1 HIS 67 207.861 4.942 -15.525 538 HE2 HIS 67 HE2 HIS 67 209.510 5.238 -17.407 539 H GLU 68 HN GLU 68 214.627 6.613 -14.012 540 HA GLU 68 HA GLU 68 216.703 6.188 -12.272 541 HB2 GLU 68 HB2 GLU 68 215.976 8.912 -13.346 542 HB3 GLU 68 HB1 GLU 68 217.579 8.315 -12.938 543 HG2 GLU 68 HG2 GLU 68 216.776 6.499 -14.798 544 HG3 GLU 68 HG1 GLU 68 216.004 7.975 -15.377 545 H GLN 69 HN GLN 69 214.042 8.503 -11.897 546 HA GLN 69 HA GLN 69 214.893 9.029 -9.153 547 HB2 GLN 69 HB2 GLN 69 212.586 10.411 -10.464 548 HB3 GLN 69 HB1 GLN 69 213.710 11.016 -9.264 549 HG2 GLN 69 HG2 GLN 69 214.673 10.394 -12.018 550 HG3 GLN 69 HG1 GLN 69 213.817 11.899 -11.694 551 HE21 GLN 69 HE21 GLN 69 216.702 10.061 -11.135 552 HE22 GLN 69 HE22 GLN 69 217.636 11.344 -10.452 553 H ILE 70 HN ILE 70 213.512 8.640 -7.400 554 HA ILE 70 HA ILE 70 211.661 6.491 -7.815 555 HB ILE 70 HB ILE 70 211.788 7.871 -5.176 556 HG12 ILE 70 HG12 ILE 70 214.123 7.830 -5.882 557 HG13 ILE 70 HG11 ILE 70 213.850 6.635 -4.622 558 HG21 ILE 70 HG21 ILE 70 210.592 5.613 -6.052 559 HG22 ILE 70 HG22 ILE 70 211.093 5.878 -4.381 560 HG23 ILE 70 HG23 ILE 70 212.127 4.964 -5.477 561 HD11 ILE 70 HD11 ILE 70 215.009 6.245 -7.138 562 HD12 ILE 70 HD12 ILE 70 213.440 5.442 -7.188 563 HD13 ILE 70 HD13 ILE 70 214.605 5.024 -5.931 564 H GLU 71 HN GLU 71 209.516 6.441 -7.573 565 HA GLU 71 HA GLU 71 208.054 8.937 -7.107 566 HB2 GLU 71 HB2 GLU 71 206.644 8.613 -9.066 567 HB3 GLU 71 HB1 GLU 71 208.331 8.756 -9.542 568 HG2 GLU 71 HG2 GLU 71 208.207 6.113 -9.365 569 HG3 GLU 71 HG1 GLU 71 206.503 6.432 -9.689 570 H THR 72 HN THR 72 205.647 8.507 -6.971 571 HA THR 72 HA THR 72 205.235 6.005 -5.491 572 HB THR 72 HB THR 72 203.330 7.209 -4.423 573 HG1 THR 72 HG1 THR 72 204.398 9.482 -5.734 574 HG21 THR 72 HG21 THR 72 205.193 9.178 -3.679 575 HG22 THR 72 HG22 THR 72 206.102 7.700 -3.995 576 HG23 THR 72 HG23 THR 72 204.779 7.688 -2.829 577 H GLN 73 HN GLN 73 203.607 4.629 -6.006 578 HA GLN 73 HA GLN 73 201.459 5.335 -7.753 579 HB2 GLN 73 HB2 GLN 73 202.650 3.144 -9.137 580 HB3 GLN 73 HB1 GLN 73 202.283 4.750 -9.746 581 HG2 GLN 73 HG2 GLN 73 204.449 5.551 -9.131 582 HG3 GLN 73 HG1 GLN 73 204.819 4.047 -8.288 583 HE21 GLN 73 HE21 GLN 73 204.148 2.112 -9.959 584 HE22 GLN 73 HE22 GLN 73 205.019 2.219 -11.447 585 HA PRO 74 HA PRO 74 199.325 1.991 -5.861 586 HB2 PRO 74 HB2 PRO 74 198.839 0.844 -8.571 587 HB3 PRO 74 HB1 PRO 74 197.687 1.213 -7.282 588 HG2 PRO 74 HG2 PRO 74 197.889 2.794 -9.414 589 HG3 PRO 74 HG1 PRO 74 197.632 3.474 -7.797 590 HD2 PRO 74 HD2 PRO 74 200.113 3.396 -9.451 591 HD3 PRO 74 HD1 PRO 74 199.543 4.645 -8.327 592 H PHE 75 HN PHE 75 199.886 0.058 -4.999 593 HA PHE 75 HA PHE 75 202.355 -1.121 -5.633 594 HB2 PHE 75 HB2 PHE 75 201.389 -1.263 -3.404 595 HB3 PHE 75 HB1 PHE 75 200.029 -2.193 -4.024 596 HD1 PHE 75 HD1 PHE 75 203.720 -2.285 -3.641 597 HD2 PHE 75 HD2 PHE 75 200.124 -4.513 -4.086 598 HE1 PHE 75 HE1 PHE 75 204.965 -4.367 -3.228 599 HE2 PHE 75 HE2 PHE 75 201.360 -6.600 -3.672 600 HZ PHE 75 HZ PHE 75 203.784 -6.528 -3.242 601 H ASP 76 HN ASP 76 202.920 -2.612 -7.084 602 HA ASP 76 HA ASP 76 200.778 -4.133 -8.418 603 HB2 ASP 76 HB2 ASP 76 202.849 -2.464 -9.518 604 HB3 ASP 76 HB1 ASP 76 203.056 -4.117 -10.087 605 HA PRO 77 HA PRO 77 202.817 -7.730 -6.817 606 HB2 PRO 77 HB2 PRO 77 201.699 -9.602 -8.435 607 HB3 PRO 77 HB1 PRO 77 200.828 -8.836 -7.102 608 HG2 PRO 77 HG2 PRO 77 200.754 -8.198 -10.027 609 HG3 PRO 77 HG1 PRO 77 199.411 -8.318 -8.875 610 HD2 PRO 77 HD2 PRO 77 200.446 -5.944 -9.639 611 HD3 PRO 77 HD1 PRO 77 199.801 -6.215 -8.007 612 H ASN 78 HN ASN 78 202.784 -7.164 -10.314 613 HA ASN 78 HA ASN 78 205.049 -8.925 -10.713 614 HB2 ASN 78 HB2 ASN 78 203.192 -7.404 -12.479 615 HB3 ASN 78 HB1 ASN 78 204.777 -7.830 -13.117 616 HD21 ASN 78 HD21 ASN 78 203.979 -9.261 -14.615 617 HD22 ASN 78 HD22 ASN 78 203.289 -10.785 -14.183 618 H ASN 79 HN ASN 79 204.801 -5.866 -9.543 619 HA ASN 79 HA ASN 79 207.254 -4.957 -10.887 620 HB2 ASN 79 HB2 ASN 79 204.907 -3.597 -10.521 621 HB3 ASN 79 HB1 ASN 79 205.867 -3.030 -9.157 622 HD21 ASN 79 HD21 ASN 79 207.458 -1.597 -9.498 623 HD22 ASN 79 HD22 ASN 79 207.911 -0.985 -11.048 624 HA PRO 80 HA PRO 80 208.955 -6.044 -6.812 625 HB2 PRO 80 HB2 PRO 80 211.528 -6.184 -8.124 626 HB3 PRO 80 HB1 PRO 80 210.570 -7.493 -7.432 627 HG2 PRO 80 HG2 PRO 80 211.029 -7.198 -10.111 628 HG3 PRO 80 HG1 PRO 80 209.612 -8.021 -9.436 629 HD2 PRO 80 HD2 PRO 80 209.855 -5.241 -10.520 630 HD3 PRO 80 HD1 PRO 80 208.537 -6.417 -10.713 631 H LYS 81 HN LYS 81 208.722 -3.248 -8.082 632 HA LYS 81 HA LYS 81 211.013 -2.056 -6.688 633 HB2 LYS 81 HB2 LYS 81 209.598 -1.279 -9.218 634 HB3 LYS 81 HB1 LYS 81 210.482 -0.089 -8.287 635 HG2 LYS 81 HG2 LYS 81 211.587 -2.577 -9.559 636 HG3 LYS 81 HG1 LYS 81 211.895 -0.905 -10.033 637 HD2 LYS 81 HD2 LYS 81 212.895 -0.549 -7.757 638 HD3 LYS 81 HD1 LYS 81 212.767 -2.290 -7.503 639 HE2 LYS 81 HE2 LYS 81 215.006 -1.392 -8.330 640 HE3 LYS 81 HE1 LYS 81 214.317 -2.767 -9.192 641 HZ1 LYS 81 HZ1 LYS 81 215.247 -0.835 -10.552 642 HZ2 LYS 81 HZ2 LYS 81 213.843 -0.002 -10.112 643 HZ3 LYS 81 HZ3 LYS 81 213.730 -1.443 -10.989 644 H ARG 82 HN ARG 82 207.591 -2.267 -6.976 645 HA ARG 82 HA ARG 82 207.065 0.210 -5.570 646 HB2 ARG 82 HB2 ARG 82 205.262 -1.965 -6.606 647 HB3 ARG 82 HB1 ARG 82 204.678 -0.549 -5.742 648 HG2 ARG 82 HG2 ARG 82 204.983 0.820 -7.502 649 HG3 ARG 82 HG1 ARG 82 206.446 -0.014 -8.032 650 HD2 ARG 82 HD2 ARG 82 205.299 -1.115 -9.563 651 HD3 ARG 82 HD1 ARG 82 204.231 -1.774 -8.325 652 HE ARG 82 HE ARG 82 203.174 0.640 -8.666 653 HH11 ARG 82 HH11 ARG 82 204.220 -1.709 -11.032 654 HH12 ARG 82 HH12 ARG 82 203.078 -1.194 -12.226 655 HH21 ARG 82 HH21 ARG 82 201.674 1.312 -10.237 656 HH22 ARG 82 HH22 ARG 82 201.632 0.519 -11.776 657 H ALA 83 HN ALA 83 208.422 -2.285 -4.348 658 HA ALA 83 HA ALA 83 206.723 -2.337 -1.938 659 HB1 ALA 83 HB1 ALA 83 206.538 -4.544 -2.029 660 HB2 ALA 83 HB2 ALA 83 208.292 -4.715 -2.064 661 HB3 ALA 83 HB3 ALA 83 207.393 -4.537 -3.571 662 H TRP 84 HN TRP 84 207.840 -0.900 -0.725 663 HA TRP 84 HA TRP 84 210.723 -1.368 -0.387 664 HB2 TRP 84 HB2 TRP 84 209.049 1.088 0.157 665 HB3 TRP 84 HB1 TRP 84 210.774 0.956 0.499 666 HD1 TRP 84 HD1 TRP 84 208.394 0.728 -2.557 667 HE1 TRP 84 HE1 TRP 84 209.685 1.545 -4.626 668 HE3 TRP 84 HE3 TRP 84 212.951 1.510 -0.399 669 HZ2 TRP 84 HZ2 TRP 84 212.286 2.427 -5.248 670 HZ3 TRP 84 HZ3 TRP 84 214.786 2.343 -1.796 671 HH2 TRP 84 HH2 TRP 84 214.465 2.791 -4.176 672 H ILE 85 HN ILE 85 211.591 -1.844 1.524 673 HA ILE 85 HA ILE 85 209.757 -2.129 3.817 674 HB ILE 85 HB ILE 85 211.462 -3.776 4.679 675 HG12 ILE 85 HG12 ILE 85 212.451 -4.137 1.896 676 HG13 ILE 85 HG11 ILE 85 213.127 -2.802 2.824 677 HG21 ILE 85 HG21 ILE 85 210.704 -5.605 3.192 678 HG22 ILE 85 HG22 ILE 85 210.049 -4.394 2.090 679 HG23 ILE 85 HG23 ILE 85 209.393 -4.549 3.720 680 HD11 ILE 85 HD11 ILE 85 213.082 -5.214 4.389 681 HD12 ILE 85 HD12 ILE 85 214.439 -4.173 3.958 682 HD13 ILE 85 HD13 ILE 85 213.931 -5.459 2.863 683 H VAL 86 HN VAL 86 210.592 -1.593 5.939 684 HA VAL 86 HA VAL 86 212.644 0.495 5.787 685 HB VAL 86 HB VAL 86 210.816 -0.008 8.124 686 HG11 VAL 86 HG11 VAL 86 211.282 2.635 8.089 687 HG12 VAL 86 HG12 VAL 86 212.769 2.058 7.334 688 HG13 VAL 86 HG13 VAL 86 212.310 1.479 8.936 689 HG21 VAL 86 HG21 VAL 86 209.282 1.638 7.243 690 HG22 VAL 86 HG22 VAL 86 209.467 0.328 6.077 691 HG23 VAL 86 HG23 VAL 86 210.294 1.864 5.817 692 H SER 87 HN SER 87 214.567 0.216 6.677 693 HA SER 87 HA SER 87 214.926 -1.993 8.595 694 HB2 SER 87 HB2 SER 87 215.956 -2.372 6.318 695 HB3 SER 87 HB1 SER 87 217.017 -1.002 6.646 696 HG SER 87 HG SER 87 218.227 -2.448 7.570 697 H GLY 88 HN GLY 88 214.806 -0.776 10.459 698 HA2 GLY 88 HA2 GLY 88 215.692 0.481 12.168 699 HA3 GLY 88 HA1 GLY 88 217.158 0.637 11.213 700 H ASN 89 HN ASN 89 217.548 2.475 10.114 701 HA ASN 89 HA ASN 89 215.496 4.582 10.272 702 HB2 ASN 89 HB2 ASN 89 217.281 6.189 10.613 703 HB3 ASN 89 HB1 ASN 89 217.421 4.913 11.817 704 HD21 ASN 89 HD21 ASN 89 218.619 5.834 8.601 705 HD22 ASN 89 HD22 ASN 89 220.203 5.185 8.818 706 H THR 90 HN THR 90 216.031 2.688 8.071 707 HA THR 90 HA THR 90 216.441 4.685 5.998 708 HB THR 90 HB THR 90 217.896 2.718 4.908 709 HG1 THR 90 HG1 THR 90 217.710 1.552 6.963 710 HG21 THR 90 HG21 THR 90 219.772 4.050 6.506 711 HG22 THR 90 HG22 THR 90 218.490 5.209 6.154 712 HG23 THR 90 HG23 THR 90 219.329 4.393 4.834 713 H ILE 91 HN ILE 91 215.554 4.218 4.038 714 HA ILE 91 HA ILE 91 213.566 2.064 4.021 715 HB ILE 91 HB ILE 91 213.893 4.165 1.882 716 HG12 ILE 91 HG12 ILE 91 213.728 5.392 3.970 717 HG13 ILE 91 HG11 ILE 91 212.196 5.508 3.111 718 HG21 ILE 91 HG21 ILE 91 211.576 2.488 2.839 719 HG22 ILE 91 HG22 ILE 91 212.437 2.346 1.307 720 HG23 ILE 91 HG23 ILE 91 211.448 3.769 1.634 721 HD11 ILE 91 HD11 ILE 91 211.099 4.623 4.817 722 HD12 ILE 91 HD12 ILE 91 212.591 4.747 5.750 723 HD13 ILE 91 HD13 ILE 91 212.205 3.252 4.898 724 H ALA 92 HN ALA 92 214.035 0.203 3.028 725 HA ALA 92 HA ALA 92 216.048 0.272 0.872 726 HB1 ALA 92 HB1 ALA 92 215.647 -2.149 2.585 727 HB2 ALA 92 HB2 ALA 92 216.655 -0.813 3.141 728 HB3 ALA 92 HB3 ALA 92 217.060 -1.660 1.648 729 H GLN 93 HN GLN 93 215.758 -0.969 -0.919 730 HA GLN 93 HA GLN 93 213.131 -1.544 -1.749 731 HB2 GLN 93 HB2 GLN 93 215.383 -1.062 -3.049 732 HB3 GLN 93 HB1 GLN 93 215.494 -2.814 -3.064 733 HG2 GLN 93 HG2 GLN 93 214.317 -2.689 -4.941 734 HG3 GLN 93 HG1 GLN 93 212.931 -2.414 -3.886 735 HE21 GLN 93 HE21 GLN 93 215.617 -0.246 -4.649 736 HE22 GLN 93 HE22 GLN 93 214.648 0.992 -5.361 737 H LEU 94 HN LEU 94 212.111 -3.502 -2.183 738 HA LEU 94 HA LEU 94 212.476 -5.538 -0.276 739 HB2 LEU 94 HB2 LEU 94 210.667 -6.679 -1.295 740 HB3 LEU 94 HB1 LEU 94 210.311 -4.971 -1.379 741 HG LEU 94 HG LEU 94 211.382 -6.579 -3.702 742 HD11 LEU 94 HD11 LEU 94 209.363 -7.423 -3.975 743 HD12 LEU 94 HD12 LEU 94 208.735 -5.788 -4.174 744 HD13 LEU 94 HD13 LEU 94 208.758 -6.535 -2.577 745 HD21 LEU 94 HD21 LEU 94 210.747 -3.743 -3.284 746 HD22 LEU 94 HD22 LEU 94 210.055 -4.445 -4.738 747 HD23 LEU 94 HD23 LEU 94 211.796 -4.501 -4.474 748 H SER 95 HN SER 95 212.975 -5.714 -3.824 749 HA SER 95 HA SER 95 214.229 -8.258 -3.659 750 HB2 SER 95 HB2 SER 95 213.111 -7.783 -5.685 751 HB3 SER 95 HB1 SER 95 213.937 -6.237 -5.874 752 HG SER 95 HG SER 95 215.251 -8.750 -5.919 753 H ASP 96 HN ASP 96 215.413 -5.274 -2.799 754 HA ASP 96 HA ASP 96 218.143 -6.266 -3.015 755 HB2 ASP 96 HB2 ASP 96 217.140 -3.680 -4.173 756 HB3 ASP 96 HB1 ASP 96 218.815 -3.848 -3.657 757 H ARG 97 HN ARG 97 218.191 -6.566 -0.805 758 HA ARG 97 HA ARG 97 217.421 -4.525 1.039 759 HB2 ARG 97 HB2 ARG 97 218.662 -7.216 1.203 760 HB3 ARG 97 HB1 ARG 97 218.994 -6.119 2.536 761 HG2 ARG 97 HG2 ARG 97 217.121 -7.199 3.292 762 HG3 ARG 97 HG1 ARG 97 216.411 -5.774 2.529 763 HD2 ARG 97 HD2 ARG 97 215.237 -7.880 1.960 764 HD3 ARG 97 HD1 ARG 97 215.878 -7.035 0.551 765 HE ARG 97 HE ARG 97 217.282 -8.805 0.164 766 HH11 ARG 97 HH11 ARG 97 215.955 -9.087 3.380 767 HH12 ARG 97 HH12 ARG 97 216.583 -10.681 3.634 768 HH21 ARG 97 HH21 ARG 97 218.107 -10.902 0.497 769 HH22 ARG 97 HH22 ARG 97 217.804 -11.711 1.998 770 H ASP 98 HN ASP 98 220.135 -5.032 -0.926 771 HA ASP 98 HA ASP 98 221.980 -3.601 0.809 772 HB2 ASP 98 HB2 ASP 98 222.352 -4.710 -1.981 773 HB3 ASP 98 HB1 ASP 98 223.622 -3.997 -0.992 774 H ILE 99 HN ILE 99 219.491 -2.515 -0.789 775 HA ILE 99 HA ILE 99 220.865 -0.073 -1.649 776 HB ILE 99 HB ILE 99 220.024 -1.557 -3.588 777 HG12 ILE 99 HG12 ILE 99 219.126 1.320 -3.392 778 HG13 ILE 99 HG11 ILE 99 220.745 0.776 -3.817 779 HG21 ILE 99 HG21 ILE 99 217.632 -1.071 -4.196 780 HG22 ILE 99 HG22 ILE 99 217.403 -0.516 -2.540 781 HG23 ILE 99 HG23 ILE 99 217.867 -2.186 -2.854 782 HD11 ILE 99 HD11 ILE 99 220.139 0.163 -5.915 783 HD12 ILE 99 HD12 ILE 99 218.963 1.448 -5.644 784 HD13 ILE 99 HD13 ILE 99 218.488 -0.238 -5.443 785 H VAL 100 HN VAL 100 219.897 1.811 -0.993 786 HA VAL 100 HA VAL 100 217.217 1.707 0.142 787 HB VAL 100 HB VAL 100 217.863 2.680 2.267 788 HG11 VAL 100 HG11 VAL 100 218.037 0.085 1.631 789 HG12 VAL 100 HG12 VAL 100 218.310 0.699 3.258 790 HG13 VAL 100 HG13 VAL 100 219.680 0.357 2.201 791 HG21 VAL 100 HG21 VAL 100 220.523 2.763 0.986 792 HG22 VAL 100 HG22 VAL 100 220.489 2.361 2.703 793 HG23 VAL 100 HG23 VAL 100 219.782 3.875 2.138 794 H LEU 101 HN LEU 101 216.126 3.599 -0.005 795 HA LEU 101 HA LEU 101 216.842 5.562 -1.751 796 HB2 LEU 101 HB2 LEU 101 215.173 6.026 0.704 797 HB3 LEU 101 HB1 LEU 101 215.165 6.992 -0.747 798 HG LEU 101 HG LEU 101 214.474 4.103 -0.910 799 HD11 LEU 101 HD11 LEU 101 213.136 5.662 0.854 800 HD12 LEU 101 HD12 LEU 101 212.418 4.313 -0.026 801 HD13 LEU 101 HD13 LEU 101 212.220 5.960 -0.623 802 HD21 LEU 101 HD21 LEU 101 214.195 6.529 -2.566 803 HD22 LEU 101 HD22 LEU 101 212.862 5.376 -2.624 804 HD23 LEU 101 HD23 LEU 101 214.496 4.858 -3.041 805 H ASP 102 HN ASP 102 217.483 7.665 -1.619 806 HA ASP 102 HA ASP 102 218.857 8.632 0.729 807 HB2 ASP 102 HB2 ASP 102 220.449 7.061 -0.248 808 HB3 ASP 102 HB1 ASP 102 220.300 7.858 -1.805 809 H ILE 103 HN ILE 103 219.931 10.771 0.221 810 HA ILE 103 HA ILE 103 218.128 12.338 -1.445 811 HB ILE 103 HB ILE 103 220.414 13.319 0.268 812 HG12 ILE 103 HG12 ILE 103 218.220 14.008 1.663 813 HG13 ILE 103 HG11 ILE 103 217.631 12.520 0.927 814 HG21 ILE 103 HG21 ILE 103 219.703 15.450 -0.121 815 HG22 ILE 103 HG22 ILE 103 218.031 14.961 -0.393 816 HG23 ILE 103 HG23 ILE 103 219.239 14.708 -1.653 817 HD11 ILE 103 HD11 ILE 103 220.288 12.254 2.084 818 HD12 ILE 103 HD12 ILE 103 218.853 11.248 2.282 819 HD13 ILE 103 HD13 ILE 103 219.049 12.705 3.255 820 H ILE 104 HN ILE 104 218.610 12.893 -3.503 821 HA ILE 104 HA ILE 104 221.058 12.137 -4.692 822 HB ILE 104 HB ILE 104 218.982 12.278 -5.971 823 HG12 ILE 104 HG12 ILE 104 219.893 13.590 -7.934 824 HG13 ILE 104 HG11 ILE 104 221.222 14.084 -6.890 825 HG21 ILE 104 HG21 ILE 104 219.072 15.202 -6.261 826 HG22 ILE 104 HG22 ILE 104 218.519 14.611 -4.694 827 HG23 ILE 104 HG23 ILE 104 217.690 14.109 -6.168 828 HD11 ILE 104 HD11 ILE 104 221.375 11.990 -8.503 829 HD12 ILE 104 HD12 ILE 104 220.670 11.186 -7.101 830 HD13 ILE 104 HD13 ILE 104 222.203 12.045 -6.947 831 H LYS 105 HN LYS 105 222.849 13.249 -5.210 832 HA LYS 105 HA LYS 105 224.407 14.904 -5.300 833 HB2 LYS 105 HB2 LYS 105 222.075 16.216 -5.920 834 HB3 LYS 105 HB1 LYS 105 222.681 17.152 -4.560 835 HG2 LYS 105 HG2 LYS 105 224.927 17.085 -5.891 836 HG3 LYS 105 HG1 LYS 105 223.868 16.742 -7.261 837 HD2 LYS 105 HD2 LYS 105 222.553 18.816 -6.149 838 HD3 LYS 105 HD1 LYS 105 224.209 19.220 -5.695 839 HE2 LYS 105 HE2 LYS 105 224.370 18.438 -8.363 840 HE3 LYS 105 HE1 LYS 105 222.899 19.405 -8.266 841 HZ1 LYS 105 HZ1 LYS 105 225.213 20.516 -8.667 842 HZ2 LYS 105 HZ2 LYS 105 225.331 20.423 -6.983 843 HZ3 LYS 105 HZ3 LYS 105 224.053 21.272 -7.694 844 H SER 106 HN SER 106 222.807 13.982 -2.600 845 HA SER 106 HA SER 106 223.025 14.333 -0.351 846 HB2 SER 106 HB2 SER 106 225.181 13.240 -1.053 847 HB3 SER 106 HB1 SER 106 225.911 14.845 -1.091 848 HG SER 106 HG SER 106 225.787 13.316 0.965 849 H ASP 107 HN ASP 107 222.350 16.727 -1.878 850 HA ASP 107 HA ASP 107 223.754 18.847 -0.436 851 HB2 ASP 107 HB2 ASP 107 222.444 20.365 -1.949 852 HB3 ASP 107 HB1 ASP 107 223.528 19.259 -2.787 853 H LYS 108 HN LYS 108 222.576 20.520 0.656 854 HA LYS 108 HA LYS 108 220.390 19.463 2.219 855 HB2 LYS 108 HB2 LYS 108 222.383 21.520 2.510 856 HB3 LYS 108 HB1 LYS 108 220.791 22.183 2.849 857 HG2 LYS 108 HG2 LYS 108 220.491 20.889 4.702 858 HG3 LYS 108 HG1 LYS 108 221.516 19.588 4.094 859 HD2 LYS 108 HD2 LYS 108 223.393 20.491 4.959 860 HD3 LYS 108 HD1 LYS 108 222.894 22.141 4.578 861 HE2 LYS 108 HE2 LYS 108 222.946 22.026 6.929 862 HE3 LYS 108 HE1 LYS 108 221.241 21.929 6.489 863 HZ1 LYS 108 HZ1 LYS 108 222.660 19.401 6.743 864 HZ2 LYS 108 HZ2 LYS 108 221.085 19.810 7.204 865 HZ3 LYS 108 HZ3 LYS 108 222.394 20.254 8.180 866 H GLU 109 HN GLU 109 220.733 21.369 -0.581 867 HA GLU 109 HA GLU 109 218.717 23.200 -0.563 868 HB2 GLU 109 HB2 GLU 109 220.116 21.671 -2.598 869 HB3 GLU 109 HB1 GLU 109 218.462 22.023 -3.078 870 HG2 GLU 109 HG2 GLU 109 218.913 24.425 -2.533 871 HG3 GLU 109 HG1 GLU 109 220.607 23.986 -2.319 872 H ALA 110 HN ALA 110 216.663 23.069 0.019 873 HA ALA 110 HA ALA 110 215.235 20.706 0.423 874 HB1 ALA 110 HB1 ALA 110 214.258 22.374 1.598 875 HB2 ALA 110 HB2 ALA 110 213.230 22.461 0.168 876 HB3 ALA 110 HB3 ALA 110 214.576 23.585 0.356 877 H GLY 111 HN GLY 111 213.338 19.896 -0.679 878 HA2 GLY 111 HA2 GLY 111 212.088 19.319 -2.524 879 HA3 GLY 111 HA1 GLY 111 212.738 20.726 -3.352 880 H ALA 112 HN ALA 112 215.124 18.687 -2.013 881 HA ALA 112 HA ALA 112 216.095 18.008 -4.618 882 HB1 ALA 112 HB1 ALA 112 218.030 17.820 -3.543 883 HB2 ALA 112 HB2 ALA 112 217.392 16.539 -2.513 884 HB3 ALA 112 HB3 ALA 112 217.186 18.228 -2.049 885 H HIS 113 HN HIS 113 215.849 16.180 -5.735 886 HA HIS 113 HA HIS 113 213.882 14.298 -5.014 887 HB2 HIS 113 HB2 HIS 113 215.977 14.360 -7.176 888 HB3 HIS 113 HB1 HIS 113 214.892 12.987 -6.984 889 HD1 HIS 113 HD1 HIS 113 213.634 13.366 -9.165 890 HD2 HIS 113 HD2 HIS 113 213.572 16.659 -6.633 891 HE1 HIS 113 HE1 HIS 113 211.937 14.939 -10.150 892 HE2 HIS 113 HE2 HIS 113 211.980 16.962 -8.649 893 H ILE 114 HN ILE 114 214.377 11.880 -5.119 894 HA ILE 114 HA ILE 114 216.819 11.200 -3.658 895 HB ILE 114 HB ILE 114 215.264 9.528 -2.405 896 HG12 ILE 114 HG12 ILE 114 213.267 10.349 -3.774 897 HG13 ILE 114 HG11 ILE 114 213.036 10.162 -2.040 898 HG21 ILE 114 HG21 ILE 114 216.143 10.766 -0.785 899 HG22 ILE 114 HG22 ILE 114 214.732 11.815 -0.915 900 HG23 ILE 114 HG23 ILE 114 216.196 12.191 -1.823 901 HD11 ILE 114 HD11 ILE 114 213.607 12.687 -1.949 902 HD12 ILE 114 HD12 ILE 114 212.007 12.171 -2.476 903 HD13 ILE 114 HD13 ILE 114 213.212 12.654 -3.667 904 H CYS 115 HN CYS 115 217.262 8.837 -3.682 905 HA CYS 115 HA CYS 115 215.879 7.252 -5.648 906 HB2 CYS 115 HB2 CYS 115 217.919 6.801 -6.961 907 HB3 CYS 115 HB1 CYS 115 217.437 8.491 -7.065 908 HG CYS 115 HG CYS 115 219.905 8.661 -6.629 909 H ALA 116 HN ALA 116 216.983 4.987 -5.725 910 HA ALA 116 HA ALA 116 217.752 4.356 -2.971 911 HB1 ALA 116 HB1 ALA 116 216.259 2.965 -5.025 912 HB2 ALA 116 HB2 ALA 116 216.337 2.666 -3.289 913 HB3 ALA 116 HB3 ALA 116 217.547 1.961 -4.360 914 H TRP 117 HN TRP 117 219.789 3.905 -2.471 915 HA TRP 117 HA TRP 117 221.596 3.078 -4.632 916 HB2 TRP 117 HB2 TRP 117 221.954 5.450 -4.355 917 HB3 TRP 117 HB1 TRP 117 222.176 5.253 -2.624 918 HD1 TRP 117 HD1 TRP 117 224.598 4.925 -1.818 919 HE1 TRP 117 HE1 TRP 117 226.860 4.487 -2.965 920 HE3 TRP 117 HE3 TRP 117 222.949 4.142 -6.594 921 HZ2 TRP 117 HZ2 TRP 117 227.819 3.889 -5.552 922 HZ3 TRP 117 HZ3 TRP 117 224.603 3.643 -8.345 923 HH2 TRP 117 HH2 TRP 117 226.988 3.519 -7.834 924 H LYS 118 HN LYS 118 223.622 2.219 -3.904 925 HA LYS 118 HA LYS 118 223.287 0.152 -2.026 926 HB2 LYS 118 HB2 LYS 118 225.073 0.662 -4.023 927 HB3 LYS 118 HB1 LYS 118 226.068 0.941 -2.600 928 HG2 LYS 118 HG2 LYS 118 226.322 -1.334 -3.288 929 HG3 LYS 118 HG1 LYS 118 225.427 -1.302 -1.768 930 HD2 LYS 118 HD2 LYS 118 223.828 -2.508 -2.735 931 HD3 LYS 118 HD1 LYS 118 223.507 -1.154 -3.819 932 HE2 LYS 118 HE2 LYS 118 224.596 -2.113 -5.555 933 HE3 LYS 118 HE1 LYS 118 225.814 -2.855 -4.518 934 HZ1 LYS 118 HZ1 LYS 118 223.266 -3.906 -5.430 935 HZ2 LYS 118 HZ2 LYS 118 223.658 -4.245 -3.820 936 HZ3 LYS 118 HZ3 LYS 118 224.704 -4.718 -5.062 937 H GLN 119 HN GLN 119 223.335 0.217 0.117 938 HA GLN 119 HA GLN 119 223.888 2.511 1.609 939 HB2 GLN 119 HB2 GLN 119 222.508 0.609 2.396 940 HB3 GLN 119 HB1 GLN 119 223.968 -0.357 2.560 941 HG2 GLN 119 HG2 GLN 119 224.794 1.441 4.150 942 HG3 GLN 119 HG1 GLN 119 223.140 2.050 4.145 943 HE21 GLN 119 HE21 GLN 119 224.839 0.808 6.257 944 HE22 GLN 119 HE22 GLN 119 223.888 -0.490 6.885 945 H HIS 120 HN HIS 120 225.719 3.439 2.247 946 HA HIS 120 HA HIS 120 228.140 1.790 2.459 947 HB2 HIS 120 HB2 HIS 120 229.440 3.718 1.494 948 HB3 HIS 120 HB1 HIS 120 228.394 2.881 0.352 949 HD1 HIS 120 HD1 HIS 120 228.760 6.132 2.182 950 HD2 HIS 120 HD2 HIS 120 226.328 4.413 -0.715 951 HE1 HIS 120 HE1 HIS 120 227.419 8.028 1.217 952 HE2 HIS 120 HE2 HIS 120 225.887 6.948 -0.466 953 H GLY 121 HN GLY 121 226.056 3.472 4.190 954 HA2 GLY 121 HA2 GLY 121 226.266 4.205 6.381 955 HA3 GLY 121 HA1 GLY 121 228.011 4.103 6.218 956 H GLY 122 HN GLY 122 226.739 5.853 3.651 957 HA2 GLY 122 HA2 GLY 122 227.967 8.259 4.456 958 HA3 GLY 122 HA1 GLY 122 226.857 8.080 3.107 959 HA PRO 123 HA PRO 123 224.968 10.284 6.971 960 HB2 PRO 123 HB2 PRO 123 225.319 12.884 6.207 961 HB3 PRO 123 HB1 PRO 123 226.432 12.019 7.273 962 HG2 PRO 123 HG2 PRO 123 226.644 12.540 4.333 963 HG3 PRO 123 HG1 PRO 123 227.899 12.643 5.582 964 HD2 PRO 123 HD2 PRO 123 227.699 10.523 3.932 965 HD3 PRO 123 HD1 PRO 123 228.227 10.354 5.619 966 H ASN 124 HN ASN 124 224.952 10.812 3.511 967 HA ASN 124 HA ASN 124 222.400 12.101 3.429 968 HB2 ASN 124 HB2 ASN 124 222.565 11.807 0.998 969 HB3 ASN 124 HB1 ASN 124 224.061 12.457 1.665 970 HD21 ASN 124 HD21 ASN 124 223.698 11.087 -0.827 971 HD22 ASN 124 HD22 ASN 124 224.687 9.671 -0.772 972 H GLN 125 HN GLN 125 223.219 8.968 4.139 973 HA GLN 125 HA GLN 125 220.777 7.867 2.930 974 HB2 GLN 125 HB2 GLN 125 222.905 6.201 4.237 975 HB3 GLN 125 HB1 GLN 125 221.740 5.734 3.008 976 HG2 GLN 125 HG2 GLN 125 223.507 7.820 2.062 977 HG3 GLN 125 HG1 GLN 125 224.397 6.407 2.622 978 HE21 GLN 125 HE21 GLN 125 222.724 4.369 1.961 979 HE22 GLN 125 HE22 GLN 125 222.545 4.282 0.245 980 H LYS 126 HN LYS 126 221.321 9.443 5.579 981 HA LYS 126 HA LYS 126 220.112 7.488 7.414 982 HB2 LYS 126 HB2 LYS 126 221.238 10.144 8.252 983 HB3 LYS 126 HB1 LYS 126 221.001 8.697 9.220 984 HG2 LYS 126 HG2 LYS 126 222.950 8.757 6.944 985 HG3 LYS 126 HG1 LYS 126 223.384 9.328 8.555 986 HD2 LYS 126 HD2 LYS 126 222.062 6.744 8.632 987 HD3 LYS 126 HD1 LYS 126 223.518 6.714 7.636 988 HE2 LYS 126 HE2 LYS 126 223.407 7.804 10.444 989 HE3 LYS 126 HE1 LYS 126 223.896 6.159 10.041 990 HZ1 LYS 126 HZ1 LYS 126 225.266 8.280 8.604 991 HZ2 LYS 126 HZ2 LYS 126 225.877 6.845 9.260 992 HZ3 LYS 126 HZ3 LYS 126 225.601 8.181 10.260 993 H PHE 127 HN PHE 127 218.138 7.817 8.317 994 HA PHE 127 HA PHE 127 216.809 10.395 7.918 995 HB2 PHE 127 HB2 PHE 127 215.343 7.815 7.426 996 HB3 PHE 127 HB1 PHE 127 214.850 9.448 7.001 997 HD1 PHE 127 HD1 PHE 127 216.973 6.610 6.086 998 HD2 PHE 127 HD2 PHE 127 215.665 10.512 5.006 999 HE1 PHE 127 HE1 PHE 127 217.896 6.290 3.829 1000 HE2 PHE 127 HE2 PHE 127 216.585 10.199 2.746 1001 HZ PHE 127 HZ PHE 127 217.701 8.085 2.157 1002 H ILE 128 HN ILE 128 215.027 10.749 9.377 1003 HA ILE 128 HA ILE 128 215.222 9.068 11.785 1004 HB ILE 128 HB ILE 128 214.047 11.783 11.951 1005 HG12 ILE 128 HG12 ILE 128 217.035 11.300 11.838 1006 HG13 ILE 128 HG11 ILE 128 216.095 12.103 10.584 1007 HG21 ILE 128 HG21 ILE 128 214.003 10.710 13.986 1008 HG22 ILE 128 HG22 ILE 128 215.506 11.624 14.105 1009 HG23 ILE 128 HG23 ILE 128 215.548 9.905 13.714 1010 HD11 ILE 128 HD11 ILE 128 215.880 13.213 13.311 1011 HD12 ILE 128 HD12 ILE 128 215.936 14.030 11.750 1012 HD13 ILE 128 HD13 ILE 128 217.421 13.420 12.480 1013 H ILE 129 HN ILE 129 213.428 8.259 12.667 1014 HA ILE 129 HA ILE 129 210.917 8.693 11.208 1015 HB ILE 129 HB ILE 129 211.660 6.262 12.831 1016 HG12 ILE 129 HG12 ILE 129 213.184 6.378 10.965 1017 HG13 ILE 129 HG11 ILE 129 211.968 5.158 10.605 1018 HG21 ILE 129 HG21 ILE 129 209.393 6.158 12.714 1019 HG22 ILE 129 HG22 ILE 129 209.794 5.388 11.178 1020 HG23 ILE 129 HG23 ILE 129 209.315 7.085 11.216 1021 HD11 ILE 129 HD11 ILE 129 212.635 7.591 9.189 1022 HD12 ILE 129 HD12 ILE 129 210.909 7.466 9.530 1023 HD13 ILE 129 HD13 ILE 129 211.731 6.177 8.649 1024 H GLU 130 HN GLU 130 209.051 9.133 12.301 1025 HA GLU 130 HA GLU 130 209.105 9.151 15.228 1026 HB2 GLU 130 HB2 GLU 130 209.205 11.485 13.571 1027 HB3 GLU 130 HB1 GLU 130 207.658 11.453 14.405 1028 HG2 GLU 130 HG2 GLU 130 209.904 10.816 16.142 1029 HG3 GLU 130 HG1 GLU 130 210.020 12.415 15.410 1030 H SER 131 HN SER 131 207.488 7.847 15.789 1031 HA SER 131 HA SER 131 205.308 7.206 14.109 1032 HB2 SER 131 HB2 SER 131 206.311 5.819 16.027 1033 HB3 SER 131 HB1 SER 131 205.317 6.808 17.097 1034 HG SER 131 HG SER 131 204.300 4.836 16.407 1035 H GLU 132 HN GLU 132 203.779 8.611 13.566 1036 HA GLU 132 HA GLU 132 203.036 10.816 15.242 1037 HB2 GLU 132 HB2 GLU 132 202.944 10.406 12.569 1038 HB3 GLU 132 HB1 GLU 132 201.270 10.075 12.989 1039 HG2 GLU 132 HG2 GLU 132 202.433 12.518 14.151 1040 HG3 GLU 132 HG1 GLU 132 202.212 12.516 12.402 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 192.107 -3.934 12.477 2 H2 MET 1 HT2 MET 1 193.498 -4.322 13.405 3 H3 MET 1 HT3 MET 1 193.098 -5.257 12.023 4 HA MET 1 HA MET 1 194.838 -3.890 11.399 5 HB2 MET 1 HB2 MET 1 192.410 -3.943 10.163 6 HB3 MET 1 HB1 MET 1 192.655 -2.210 10.337 7 HG2 MET 1 HG2 MET 1 194.250 -2.152 8.775 8 HG3 MET 1 HG1 MET 1 194.992 -3.650 9.334 9 HE1 MET 1 HE1 MET 1 194.681 -4.572 5.774 10 HE2 MET 1 HE2 MET 1 195.483 -3.427 6.848 11 HE3 MET 1 HE3 MET 1 194.190 -2.878 5.782 12 H LYS 2 HN LYS 2 196.134 -2.374 12.187 13 HA LYS 2 HA LYS 2 194.945 0.103 13.235 14 HB2 LYS 2 HB2 LYS 2 196.020 -1.797 14.865 15 HB3 LYS 2 HB1 LYS 2 197.428 -0.792 14.552 16 HG2 LYS 2 HG2 LYS 2 194.790 0.172 15.639 17 HG3 LYS 2 HG1 LYS 2 196.258 -0.110 16.579 18 HD2 LYS 2 HD2 LYS 2 197.377 1.557 14.996 19 HD3 LYS 2 HD1 LYS 2 195.742 1.990 14.492 20 HE2 LYS 2 HE2 LYS 2 195.842 3.467 16.178 21 HE3 LYS 2 HE1 LYS 2 195.509 2.069 17.200 22 HZ1 LYS 2 HZ1 LYS 2 197.360 3.027 18.172 23 HZ2 LYS 2 HZ2 LYS 2 198.084 3.416 16.694 24 HZ3 LYS 2 HZ3 LYS 2 198.047 1.808 17.220 25 HA PRO 3 HA PRO 3 198.138 0.831 9.837 26 HB2 PRO 3 HB2 PRO 3 196.217 3.087 9.508 27 HB3 PRO 3 HB1 PRO 3 197.012 2.097 8.278 28 HG2 PRO 3 HG2 PRO 3 194.446 1.715 8.872 29 HG3 PRO 3 HG1 PRO 3 195.516 0.342 8.533 30 HD2 PRO 3 HD2 PRO 3 194.461 1.327 11.145 31 HD3 PRO 3 HD1 PRO 3 194.776 -0.336 10.608 32 H LYS 4 HN LYS 4 199.839 1.522 11.050 33 HA LYS 4 HA LYS 4 199.581 4.054 12.507 34 HB2 LYS 4 HB2 LYS 4 200.742 1.652 13.228 35 HB3 LYS 4 HB1 LYS 4 202.125 2.635 12.768 36 HG2 LYS 4 HG2 LYS 4 202.063 3.487 14.813 37 HG3 LYS 4 HG1 LYS 4 200.588 4.328 14.330 38 HD2 LYS 4 HD2 LYS 4 200.035 3.188 16.316 39 HD3 LYS 4 HD1 LYS 4 199.344 2.218 15.013 40 HE2 LYS 4 HE2 LYS 4 200.352 0.569 16.231 41 HE3 LYS 4 HE1 LYS 4 201.679 0.998 15.152 42 HZ1 LYS 4 HZ1 LYS 4 201.354 2.228 17.825 43 HZ2 LYS 4 HZ2 LYS 4 202.724 2.231 16.834 44 HZ3 LYS 4 HZ3 LYS 4 202.231 0.800 17.588 45 H PHE 5 HN PHE 5 200.342 5.853 11.634 46 HA PHE 5 HA PHE 5 202.156 5.677 9.348 47 HB2 PHE 5 HB2 PHE 5 201.618 8.267 9.366 48 HB3 PHE 5 HB1 PHE 5 200.471 7.109 8.703 49 HD1 PHE 5 HD1 PHE 5 198.476 6.465 10.000 50 HD2 PHE 5 HD2 PHE 5 201.117 9.533 11.311 51 HE1 PHE 5 HE1 PHE 5 196.749 7.281 11.548 52 HE2 PHE 5 HE2 PHE 5 199.396 10.356 12.863 53 HZ PHE 5 HZ PHE 5 197.208 9.230 12.984 54 H PHE 6 HN PHE 6 203.741 7.706 9.251 55 HA PHE 6 HA PHE 6 204.763 8.471 11.849 56 HB2 PHE 6 HB2 PHE 6 207.032 7.333 10.494 57 HB3 PHE 6 HB1 PHE 6 206.454 7.052 12.124 58 HD1 PHE 6 HD2 PHE 6 204.852 5.206 12.558 59 HD2 PHE 6 HD1 PHE 6 206.654 5.797 8.749 60 HE1 PHE 6 HE2 PHE 6 204.254 2.907 11.922 61 HE2 PHE 6 HE1 PHE 6 206.063 3.499 8.106 62 HZ PHE 6 HZ PHE 6 204.861 2.048 9.694 63 H TYR 7 HN TYR 7 206.983 9.567 11.564 64 HA TYR 7 HA TYR 7 206.791 11.270 9.183 65 HB2 TYR 7 HB2 TYR 7 207.389 11.827 12.030 66 HB3 TYR 7 HB1 TYR 7 208.363 12.708 10.859 67 HD1 TYR 7 HD1 TYR 7 206.907 13.782 8.878 68 HD2 TYR 7 HD2 TYR 7 205.453 12.826 12.760 69 HE1 TYR 7 HE1 TYR 7 205.091 15.416 8.595 70 HE2 TYR 7 HE2 TYR 7 203.632 14.455 12.487 71 HH TYR 7 HH TYR 7 202.388 15.503 10.458 72 H ILE 8 HN ILE 8 208.398 11.119 7.745 73 HA ILE 8 HA ILE 8 210.891 9.817 8.609 74 HB ILE 8 HB ILE 8 210.827 10.054 5.774 75 HG12 ILE 8 HG12 ILE 8 208.353 10.246 6.036 76 HG13 ILE 8 HG11 ILE 8 208.849 8.800 5.165 77 HG21 ILE 8 HG21 ILE 8 211.128 7.692 5.833 78 HG22 ILE 8 HG22 ILE 8 210.422 7.585 7.445 79 HG23 ILE 8 HG23 ILE 8 211.983 8.373 7.217 80 HD11 ILE 8 HD11 ILE 8 207.057 8.832 7.171 81 HD12 ILE 8 HD12 ILE 8 208.535 8.463 8.060 82 HD13 ILE 8 HD13 ILE 8 208.026 7.427 6.726 83 H LYS 9 HN LYS 9 212.344 11.304 9.161 84 HA LYS 9 HA LYS 9 212.560 13.743 7.543 85 HB2 LYS 9 HB2 LYS 9 212.141 14.230 9.826 86 HB3 LYS 9 HB1 LYS 9 213.352 13.077 10.367 87 HG2 LYS 9 HG2 LYS 9 214.988 14.572 10.224 88 HG3 LYS 9 HG1 LYS 9 214.457 15.126 8.635 89 HD2 LYS 9 HD2 LYS 9 213.183 16.785 9.487 90 HD3 LYS 9 HD1 LYS 9 212.770 15.868 10.936 91 HE2 LYS 9 HE2 LYS 9 214.939 16.316 11.893 92 HE3 LYS 9 HE1 LYS 9 215.467 17.112 10.411 93 HZ1 LYS 9 HZ1 LYS 9 213.196 18.068 12.063 94 HZ2 LYS 9 HZ2 LYS 9 213.943 18.877 10.778 95 HZ3 LYS 9 HZ3 LYS 9 214.780 18.641 12.229 96 H SER 10 HN SER 10 214.429 14.308 6.543 97 HA SER 10 HA SER 10 216.451 12.293 6.193 98 HB2 SER 10 HB2 SER 10 217.528 14.384 4.927 99 HB3 SER 10 HB1 SER 10 216.215 13.447 4.214 100 HG SER 10 HG SER 10 215.951 15.802 4.237 101 H GLU 11 HN GLU 11 217.866 11.969 7.774 102 HA GLU 11 HA GLU 11 218.519 13.818 9.778 103 HB2 GLU 11 HB2 GLU 11 218.733 11.433 10.152 104 HB3 GLU 11 HB1 GLU 11 219.961 11.315 8.900 105 HG2 GLU 11 HG2 GLU 11 221.596 12.003 10.261 106 HG3 GLU 11 HG1 GLU 11 220.585 13.230 11.022 107 H LEU 12 HN LEU 12 219.546 13.695 6.585 108 HA LEU 12 HA LEU 12 222.181 14.788 7.072 109 HB2 LEU 12 HB2 LEU 12 221.825 13.330 5.154 110 HB3 LEU 12 HB1 LEU 12 220.614 14.426 4.518 111 HG LEU 12 HG LEU 12 222.398 16.168 4.298 112 HD11 LEU 12 HD11 LEU 12 224.505 14.113 4.425 113 HD12 LEU 12 HD12 LEU 12 223.851 14.647 5.973 114 HD13 LEU 12 HD13 LEU 12 224.552 15.821 4.859 115 HD21 LEU 12 HD21 LEU 12 221.703 14.153 2.606 116 HD22 LEU 12 HD22 LEU 12 223.453 13.955 2.693 117 HD23 LEU 12 HD23 LEU 12 222.765 15.498 2.189 118 H ASN 13 HN ASN 13 219.341 15.978 5.263 119 HA ASN 13 HA ASN 13 220.265 18.702 5.453 120 HB2 ASN 13 HB2 ASN 13 217.593 17.828 4.397 121 HB3 ASN 13 HB1 ASN 13 218.567 19.204 3.904 122 HD21 ASN 13 HD21 ASN 13 217.392 16.626 2.655 123 HD22 ASN 13 HD22 ASN 13 218.694 16.044 1.681 124 H GLY 14 HN GLY 14 218.290 16.692 7.374 125 HA2 GLY 14 HA2 GLY 14 217.159 17.225 9.328 126 HA3 GLY 14 HA1 GLY 14 217.545 18.919 9.047 127 H LYS 15 HN LYS 15 216.301 17.791 6.228 128 HA LYS 15 HA LYS 15 213.717 19.015 6.709 129 HB2 LYS 15 HB2 LYS 15 214.749 17.840 4.129 130 HB3 LYS 15 HB1 LYS 15 213.501 19.052 4.333 131 HG2 LYS 15 HG2 LYS 15 216.461 19.377 4.705 132 HG3 LYS 15 HG1 LYS 15 215.423 20.159 3.513 133 HD2 LYS 15 HD2 LYS 15 214.368 20.764 6.065 134 HD3 LYS 15 HD1 LYS 15 216.111 21.024 6.148 135 HE2 LYS 15 HE2 LYS 15 215.408 22.136 3.722 136 HE3 LYS 15 HE1 LYS 15 214.054 22.555 4.771 137 HZ1 LYS 15 HZ1 LYS 15 215.399 24.260 5.306 138 HZ2 LYS 15 HZ2 LYS 15 216.815 23.452 4.859 139 HZ3 LYS 15 HZ3 LYS 15 216.101 23.138 6.360 140 H VAL 16 HN VAL 16 211.905 17.782 5.287 141 HA VAL 16 HA VAL 16 212.001 14.949 6.091 142 HB VAL 16 HB VAL 16 209.463 15.148 6.232 143 HG11 VAL 16 HG11 VAL 16 209.647 15.335 8.471 144 HG12 VAL 16 HG12 VAL 16 210.523 16.863 8.379 145 HG13 VAL 16 HG13 VAL 16 211.376 15.340 8.123 146 HG21 VAL 16 HG21 VAL 16 209.813 18.033 6.824 147 HG22 VAL 16 HG22 VAL 16 208.404 17.163 6.216 148 HG23 VAL 16 HG23 VAL 16 209.737 17.552 5.129 149 H LEU 17 HN LEU 17 211.263 13.451 4.621 150 HA LEU 17 HA LEU 17 211.216 14.295 1.885 151 HB2 LEU 17 HB2 LEU 17 210.588 11.836 1.485 152 HB3 LEU 17 HB1 LEU 17 212.177 12.200 2.126 153 HG LEU 17 HG LEU 17 210.595 11.814 4.385 154 HD11 LEU 17 HD11 LEU 17 208.817 10.666 3.633 155 HD12 LEU 17 HD12 LEU 17 209.951 9.316 3.586 156 HD13 LEU 17 HD13 LEU 17 209.607 10.231 2.118 157 HD21 LEU 17 HD21 LEU 17 212.688 10.977 4.614 158 HD22 LEU 17 HD22 LEU 17 212.756 10.399 2.949 159 HD23 LEU 17 HD23 LEU 17 211.879 9.474 4.168 160 H ASP 18 HN ASP 18 209.498 14.527 0.513 161 HA ASP 18 HA ASP 18 206.822 13.859 1.489 162 HB2 ASP 18 HB2 ASP 18 207.512 16.288 2.032 163 HB3 ASP 18 HB1 ASP 18 207.364 16.571 0.299 164 H ILE 19 HN ILE 19 205.227 13.726 -0.155 165 HA ILE 19 HA ILE 19 206.357 13.091 -2.771 166 HB ILE 19 HB ILE 19 203.522 12.657 -1.829 167 HG12 ILE 19 HG12 ILE 19 205.896 10.779 -1.734 168 HG13 ILE 19 HG11 ILE 19 205.069 11.478 -0.345 169 HG21 ILE 19 HG21 ILE 19 205.121 11.549 -4.129 170 HG22 ILE 19 HG22 ILE 19 203.699 12.587 -4.213 171 HG23 ILE 19 HG23 ILE 19 203.547 10.930 -3.629 172 HD11 ILE 19 HD11 ILE 19 203.455 9.940 -0.394 173 HD12 ILE 19 HD12 ILE 19 204.575 9.024 -1.402 174 HD13 ILE 19 HD13 ILE 19 203.313 10.001 -2.151 175 H GLU 20 HN GLU 20 205.959 14.226 -4.591 176 HA GLU 20 HA GLU 20 205.339 16.862 -4.635 177 HB2 GLU 20 HB2 GLU 20 205.161 14.714 -6.690 178 HB3 GLU 20 HB1 GLU 20 204.479 16.287 -7.079 179 HG2 GLU 20 HG2 GLU 20 206.703 17.278 -6.430 180 HG3 GLU 20 HG1 GLU 20 207.324 15.628 -6.383 181 H GLY 21 HN GLY 21 203.622 17.571 -3.449 182 HA2 GLY 21 HA2 GLY 21 201.432 17.922 -2.818 183 HA3 GLY 21 HA1 GLY 21 201.189 18.022 -4.553 184 H GLN 22 HN GLN 22 202.135 15.088 -2.867 185 HA GLN 22 HA GLN 22 201.074 13.103 -2.517 186 HB2 GLN 22 HB2 GLN 22 198.421 14.423 -3.026 187 HB3 GLN 22 HB1 GLN 22 198.787 13.060 -1.978 188 HG2 GLN 22 HG2 GLN 22 198.720 14.527 -0.315 189 HG3 GLN 22 HG1 GLN 22 200.296 15.071 -0.890 190 HE21 GLN 22 HE21 GLN 22 199.812 17.137 -0.024 191 HE22 GLN 22 HE22 GLN 22 198.774 18.230 -0.866 192 H ASN 23 HN ASN 23 198.988 14.739 -4.906 193 HA ASN 23 HA ASN 23 198.404 14.206 -7.036 194 HB2 ASN 23 HB2 ASN 23 201.153 13.307 -6.784 195 HB3 ASN 23 HB1 ASN 23 200.252 12.306 -7.919 196 HD21 ASN 23 HD21 ASN 23 201.038 15.648 -7.118 197 HD22 ASN 23 HD22 ASN 23 200.950 16.244 -8.738 198 HA PRO 24 HA PRO 24 196.111 10.543 -5.445 199 HB2 PRO 24 HB2 PRO 24 194.341 11.578 -7.609 200 HB3 PRO 24 HB1 PRO 24 193.928 11.047 -5.975 201 HG2 PRO 24 HG2 PRO 24 193.997 13.637 -6.577 202 HG3 PRO 24 HG1 PRO 24 194.592 13.051 -5.013 203 HD2 PRO 24 HD2 PRO 24 196.126 13.950 -7.409 204 HD3 PRO 24 HD1 PRO 24 196.501 14.152 -5.686 205 H ALA 25 HN ALA 25 197.181 11.472 -8.629 206 HA ALA 25 HA ALA 25 196.647 8.797 -9.687 207 HB1 ALA 25 HB1 ALA 25 196.637 9.701 -11.756 208 HB2 ALA 25 HB2 ALA 25 197.967 10.803 -11.399 209 HB3 ALA 25 HB3 ALA 25 196.332 11.193 -10.867 210 HA PRO 26 HA PRO 26 200.781 7.359 -9.153 211 HB2 PRO 26 HB2 PRO 26 201.072 5.828 -11.396 212 HB3 PRO 26 HB1 PRO 26 200.159 5.321 -9.973 213 HG2 PRO 26 HG2 PRO 26 199.173 6.496 -12.536 214 HG3 PRO 26 HG1 PRO 26 198.505 5.155 -11.588 215 HD2 PRO 26 HD2 PRO 26 197.443 7.624 -11.497 216 HD3 PRO 26 HD1 PRO 26 197.488 6.571 -10.067 217 H GLY 27 HN GLY 27 202.914 7.706 -9.852 218 HA2 GLY 27 HA2 GLY 27 204.466 8.324 -11.600 219 HA3 GLY 27 HA1 GLY 27 203.203 9.324 -12.298 220 H SER 28 HN SER 28 203.017 9.790 -9.021 221 HA SER 28 HA SER 28 204.093 12.412 -9.203 222 HB2 SER 28 HB2 SER 28 203.722 11.355 -6.489 223 HB3 SER 28 HB1 SER 28 202.993 12.762 -7.261 224 HG SER 28 HG SER 28 201.444 11.151 -6.777 225 H LYS 29 HN LYS 29 206.013 13.229 -8.539 226 HA LYS 29 HA LYS 29 208.125 11.329 -7.966 227 HB2 LYS 29 HB2 LYS 29 208.468 14.306 -8.190 228 HB3 LYS 29 HB1 LYS 29 209.628 13.037 -8.537 229 HG2 LYS 29 HG2 LYS 29 207.161 13.613 -10.157 230 HG3 LYS 29 HG1 LYS 29 208.798 14.130 -10.566 231 HD2 LYS 29 HD2 LYS 29 209.522 11.869 -10.832 232 HD3 LYS 29 HD1 LYS 29 208.006 11.249 -10.175 233 HE2 LYS 29 HE2 LYS 29 208.266 11.162 -12.695 234 HE3 LYS 29 HE1 LYS 29 206.791 11.906 -12.081 235 HZ1 LYS 29 HZ1 LYS 29 207.754 14.076 -12.446 236 HZ2 LYS 29 HZ2 LYS 29 207.792 13.188 -13.885 237 HZ3 LYS 29 HZ3 LYS 29 209.205 13.386 -12.977 238 H ILE 30 HN ILE 30 209.652 11.694 -6.223 239 HA ILE 30 HA ILE 30 208.379 12.999 -3.897 240 HB ILE 30 HB ILE 30 209.514 11.367 -2.455 241 HG12 ILE 30 HG12 ILE 30 210.259 9.974 -5.036 242 HG13 ILE 30 HG11 ILE 30 211.387 10.870 -4.023 243 HG21 ILE 30 HG21 ILE 30 208.068 9.655 -4.393 244 HG22 ILE 30 HG22 ILE 30 207.208 11.057 -3.755 245 HG23 ILE 30 HG23 ILE 30 207.846 9.837 -2.653 246 HD11 ILE 30 HD11 ILE 30 211.764 9.020 -2.881 247 HD12 ILE 30 HD12 ILE 30 210.540 8.162 -3.814 248 HD13 ILE 30 HD13 ILE 30 210.083 9.028 -2.348 249 H ILE 31 HN ILE 31 209.673 14.166 -2.462 250 HA ILE 31 HA ILE 31 212.515 14.425 -2.934 251 HB ILE 31 HB ILE 31 212.558 16.761 -3.415 252 HG12 ILE 31 HG12 ILE 31 210.335 17.127 -2.085 253 HG13 ILE 31 HG11 ILE 31 210.747 18.210 -3.406 254 HG21 ILE 31 HG21 ILE 31 211.626 16.810 -5.642 255 HG22 ILE 31 HG22 ILE 31 210.557 15.462 -5.256 256 HG23 ILE 31 HG23 ILE 31 212.301 15.215 -5.312 257 HD11 ILE 31 HD11 ILE 31 208.835 15.896 -3.544 258 HD12 ILE 31 HD12 ILE 31 209.251 16.968 -4.880 259 HD13 ILE 31 HD13 ILE 31 208.408 17.605 -3.468 260 H THR 32 HN THR 32 213.295 16.415 -1.485 261 HA THR 32 HA THR 32 212.074 15.921 1.144 262 HB THR 32 HB THR 32 214.131 16.383 2.135 263 HG1 THR 32 HG1 THR 32 215.598 17.722 1.337 264 HG21 THR 32 HG21 THR 32 214.155 14.564 0.032 265 HG22 THR 32 HG22 THR 32 215.285 14.658 1.382 266 HG23 THR 32 HG23 THR 32 215.648 15.489 -0.130 267 H TRP 33 HN TRP 33 211.571 17.657 2.560 268 HA TRP 33 HA TRP 33 211.837 20.378 1.634 269 HB2 TRP 33 HB2 TRP 33 209.790 19.381 0.465 270 HB3 TRP 33 HB1 TRP 33 209.039 19.333 2.057 271 HD1 TRP 33 HD1 TRP 33 207.548 21.352 2.486 272 HE1 TRP 33 HE1 TRP 33 207.506 23.817 1.746 273 HE3 TRP 33 HE3 TRP 33 211.764 21.406 -0.408 274 HZ2 TRP 33 HZ2 TRP 33 209.053 25.552 0.150 275 HZ3 TRP 33 HZ3 TRP 33 212.412 23.510 -1.507 276 HH2 TRP 33 HH2 TRP 33 211.083 25.540 -1.234 277 H ASP 34 HN ASP 34 210.616 21.892 3.222 278 HA ASP 34 HA ASP 34 211.506 21.232 5.852 279 HB2 ASP 34 HB2 ASP 34 209.749 23.546 5.013 280 HB3 ASP 34 HB1 ASP 34 210.718 23.430 6.479 281 H GLN 35 HN GLN 35 210.358 20.638 7.634 282 HA GLN 35 HA GLN 35 207.989 19.190 7.324 283 HB2 GLN 35 HB2 GLN 35 209.842 19.498 9.320 284 HB3 GLN 35 HB1 GLN 35 208.431 20.281 10.016 285 HG2 GLN 35 HG2 GLN 35 208.369 17.516 8.844 286 HG3 GLN 35 HG1 GLN 35 208.703 17.845 10.544 287 HE21 GLN 35 HE21 GLN 35 207.056 18.817 11.816 288 HE22 GLN 35 HE22 GLN 35 205.393 18.649 11.380 289 H LYS 36 HN LYS 36 205.861 19.658 7.559 290 HA LYS 36 HA LYS 36 205.176 22.492 7.960 291 HB2 LYS 36 HB2 LYS 36 204.430 20.615 5.944 292 HB3 LYS 36 HB1 LYS 36 202.986 21.050 6.847 293 HG2 LYS 36 HG2 LYS 36 202.851 22.958 5.743 294 HG3 LYS 36 HG1 LYS 36 204.448 23.428 6.327 295 HD2 LYS 36 HD2 LYS 36 205.039 23.391 4.164 296 HD3 LYS 36 HD1 LYS 36 205.064 21.636 4.354 297 HE2 LYS 36 HE2 LYS 36 203.637 21.688 2.611 298 HE3 LYS 36 HE1 LYS 36 202.442 22.030 3.861 299 HZ1 LYS 36 HZ1 LYS 36 203.639 23.836 1.888 300 HZ2 LYS 36 HZ2 LYS 36 203.187 24.478 3.387 301 HZ3 LYS 36 HZ3 LYS 36 202.033 23.720 2.409 302 H LYS 37 HN LYS 37 202.915 22.820 8.850 303 HA LYS 37 HA LYS 37 202.329 20.820 10.931 304 HB2 LYS 37 HB2 LYS 37 201.691 22.735 12.412 305 HB3 LYS 37 HB1 LYS 37 203.407 22.645 12.040 306 HG2 LYS 37 HG2 LYS 37 203.327 24.756 11.390 307 HG3 LYS 37 HG1 LYS 37 202.283 24.267 10.054 308 HD2 LYS 37 HD2 LYS 37 200.911 25.799 11.034 309 HD3 LYS 37 HD1 LYS 37 200.439 24.376 11.965 310 HE2 LYS 37 HE2 LYS 37 201.850 25.012 13.784 311 HE3 LYS 37 HE1 LYS 37 202.584 26.304 12.834 312 HZ1 LYS 37 HZ1 LYS 37 200.530 27.497 12.843 313 HZ2 LYS 37 HZ2 LYS 37 200.897 27.082 14.441 314 HZ3 LYS 37 HZ3 LYS 37 199.716 26.218 13.594 315 H GLY 38 HN GLY 38 200.572 19.902 9.942 316 HA2 GLY 38 HA2 GLY 38 198.057 20.933 10.304 317 HA3 GLY 38 HA1 GLY 38 198.517 21.461 8.692 318 HA PRO 39 HA PRO 39 196.512 17.079 8.856 319 HB2 PRO 39 HB2 PRO 39 194.886 18.483 6.788 320 HB3 PRO 39 HB1 PRO 39 194.385 17.300 8.001 321 HG2 PRO 39 HG2 PRO 39 193.837 19.883 8.325 322 HG3 PRO 39 HG1 PRO 39 194.319 18.876 9.703 323 HD2 PRO 39 HD2 PRO 39 195.898 20.907 8.194 324 HD3 PRO 39 HD1 PRO 39 195.938 20.500 9.921 325 H THR 40 HN THR 40 197.669 19.346 6.462 326 HA THR 40 HA THR 40 197.911 17.417 4.357 327 HB THR 40 HB THR 40 199.004 19.186 3.114 328 HG1 THR 40 HG1 THR 40 200.221 20.469 4.223 329 HG21 THR 40 HG21 THR 40 196.441 19.349 3.944 330 HG22 THR 40 HG22 THR 40 197.198 20.468 2.811 331 HG23 THR 40 HG23 THR 40 197.078 20.888 4.520 332 H ALA 41 HN ALA 41 199.495 17.359 7.126 333 HA ALA 41 HA ALA 41 202.225 17.280 6.245 334 HB1 ALA 41 HB1 ALA 41 201.221 17.748 8.629 335 HB2 ALA 41 HB2 ALA 41 202.791 16.968 8.441 336 HB3 ALA 41 HB3 ALA 41 201.360 15.997 8.789 337 H VAL 42 HN VAL 42 199.598 15.115 6.190 338 HA VAL 42 HA VAL 42 200.673 12.589 6.534 339 HB VAL 42 HB VAL 42 198.588 13.588 4.585 340 HG11 VAL 42 HG11 VAL 42 198.103 10.892 4.990 341 HG12 VAL 42 HG12 VAL 42 199.841 10.982 4.710 342 HG13 VAL 42 HG13 VAL 42 198.721 11.642 3.519 343 HG21 VAL 42 HG21 VAL 42 197.350 12.005 6.440 344 HG22 VAL 42 HG22 VAL 42 197.451 13.764 6.501 345 HG23 VAL 42 HG23 VAL 42 198.614 12.783 7.392 346 H ASN 43 HN ASN 43 201.174 14.853 3.928 347 HA ASN 43 HA ASN 43 202.138 13.025 2.006 348 HB2 ASN 43 HB2 ASN 43 203.069 15.876 2.137 349 HB3 ASN 43 HB1 ASN 43 202.751 14.883 0.719 350 HD21 ASN 43 HD21 ASN 43 200.224 13.885 1.621 351 HD22 ASN 43 HD22 ASN 43 199.100 15.193 1.530 352 H GLN 44 HN GLN 44 203.470 13.953 4.934 353 HA GLN 44 HA GLN 44 206.172 13.213 4.031 354 HB2 GLN 44 HB2 GLN 44 205.214 15.193 6.068 355 HB3 GLN 44 HB1 GLN 44 206.775 14.420 6.279 356 HG2 GLN 44 HG2 GLN 44 207.735 15.734 4.774 357 HG3 GLN 44 HG1 GLN 44 206.460 15.435 3.595 358 HE21 GLN 44 HE21 GLN 44 207.710 17.896 3.873 359 HE22 GLN 44 HE22 GLN 44 206.562 19.044 4.464 360 H LEU 45 HN LEU 45 203.547 11.996 5.349 361 HA LEU 45 HA LEU 45 204.984 10.425 7.365 362 HB2 LEU 45 HB2 LEU 45 202.087 11.164 7.197 363 HB3 LEU 45 HB1 LEU 45 202.700 9.992 8.297 364 HG LEU 45 HG LEU 45 204.280 12.268 8.706 365 HD11 LEU 45 HD11 LEU 45 202.995 14.088 8.589 366 HD12 LEU 45 HD12 LEU 45 201.581 13.246 9.226 367 HD13 LEU 45 HD13 LEU 45 201.984 13.127 7.518 368 HD21 LEU 45 HD21 LEU 45 203.424 12.149 10.910 369 HD22 LEU 45 HD22 LEU 45 203.474 10.493 10.307 370 HD23 LEU 45 HD23 LEU 45 201.942 11.364 10.368 371 H TRP 46 HN TRP 46 204.857 8.240 7.334 372 HA TRP 46 HA TRP 46 203.252 7.007 5.211 373 HB2 TRP 46 HB2 TRP 46 206.152 6.458 5.836 374 HB3 TRP 46 HB1 TRP 46 205.165 5.537 4.713 375 HD1 TRP 46 HD1 TRP 46 206.058 9.301 5.151 376 HE1 TRP 46 HE1 TRP 46 206.530 10.272 2.812 377 HE3 TRP 46 HE3 TRP 46 205.192 5.117 2.340 378 HZ2 TRP 46 HZ2 TRP 46 206.527 9.384 0.131 379 HZ3 TRP 46 HZ3 TRP 46 205.439 5.265 -0.101 380 HH2 TRP 46 HH2 TRP 46 206.094 7.354 -1.184 381 H TYR 47 HN TYR 47 203.217 4.572 5.482 382 HA TYR 47 HA TYR 47 203.501 3.731 8.249 383 HB2 TYR 47 HB2 TYR 47 201.249 2.808 8.375 384 HB3 TYR 47 HB1 TYR 47 201.195 4.542 8.103 385 HD1 TYR 47 HD2 TYR 47 201.017 1.308 6.255 386 HD2 TYR 47 HD1 TYR 47 199.841 5.389 6.447 387 HE1 TYR 47 HE2 TYR 47 199.499 0.955 4.351 388 HE2 TYR 47 HE1 TYR 47 198.316 5.049 4.547 389 HH TYR 47 HH TYR 47 198.368 2.176 2.646 390 H THR 48 HN THR 48 203.135 1.287 8.433 391 HA THR 48 HA THR 48 204.260 0.039 6.018 392 HB THR 48 HB THR 48 205.080 -1.727 7.609 393 HG1 THR 48 HG1 THR 48 205.075 -1.153 9.819 394 HG21 THR 48 HG21 THR 48 206.061 0.978 7.379 395 HG22 THR 48 HG22 THR 48 206.943 -0.549 7.410 396 HG23 THR 48 HG23 THR 48 206.500 0.245 8.922 397 H ASP 49 HN ASP 49 203.271 -1.613 5.034 398 HA ASP 49 HA ASP 49 200.584 -2.249 5.833 399 HB2 ASP 49 HB2 ASP 49 201.408 -2.019 3.441 400 HB3 ASP 49 HB1 ASP 49 202.178 -3.589 3.644 401 H GLN 50 HN GLN 50 199.855 -4.589 5.832 402 HA GLN 50 HA GLN 50 201.046 -5.947 7.975 403 HB2 GLN 50 HB2 GLN 50 198.871 -6.490 6.048 404 HB3 GLN 50 HB1 GLN 50 199.590 -7.907 6.801 405 HG2 GLN 50 HG2 GLN 50 198.551 -7.527 8.723 406 HG3 GLN 50 HG1 GLN 50 199.037 -5.833 8.738 407 HE21 GLN 50 HE21 GLN 50 196.856 -5.649 9.705 408 HE22 GLN 50 HE22 GLN 50 195.513 -5.443 8.638 409 H GLN 51 HN GLN 51 201.687 -6.049 4.574 410 HA GLN 51 HA GLN 51 203.214 -8.522 4.794 411 HB2 GLN 51 HB2 GLN 51 201.707 -7.956 2.818 412 HB3 GLN 51 HB1 GLN 51 202.932 -6.785 2.348 413 HG2 GLN 51 HG2 GLN 51 203.377 -8.701 1.083 414 HG3 GLN 51 HG1 GLN 51 204.580 -8.701 2.372 415 HE21 GLN 51 HE21 GLN 51 204.616 -10.341 3.822 416 HE22 GLN 51 HE22 GLN 51 203.571 -11.715 3.754 417 H GLY 52 HN GLY 52 203.772 -5.325 5.420 418 HA2 GLY 52 HA2 GLY 52 205.887 -4.549 6.162 419 HA3 GLY 52 HA1 GLY 52 206.658 -5.715 5.098 420 H VAL 53 HN VAL 53 204.143 -4.133 3.501 421 HA VAL 53 HA VAL 53 206.069 -2.527 2.015 422 HB VAL 53 HB VAL 53 203.151 -3.016 1.401 423 HG11 VAL 53 HG11 VAL 53 204.927 -2.503 -0.828 424 HG12 VAL 53 HG12 VAL 53 204.930 -1.177 0.336 425 HG13 VAL 53 HG13 VAL 53 203.413 -1.715 -0.385 426 HG21 VAL 53 HG21 VAL 53 204.186 -5.150 1.388 427 HG22 VAL 53 HG22 VAL 53 205.613 -4.530 0.558 428 HG23 VAL 53 HG23 VAL 53 204.074 -4.638 -0.296 429 H ILE 54 HN ILE 54 206.305 -0.438 2.476 430 HA ILE 54 HA ILE 54 204.508 0.897 4.244 431 HB ILE 54 HB ILE 54 205.976 2.941 3.582 432 HG12 ILE 54 HG12 ILE 54 208.149 1.042 3.017 433 HG13 ILE 54 HG11 ILE 54 206.969 1.207 1.719 434 HG21 ILE 54 HG21 ILE 54 206.691 0.591 5.259 435 HG22 ILE 54 HG22 ILE 54 206.230 2.224 5.740 436 HG23 ILE 54 HG23 ILE 54 207.842 1.917 5.093 437 HD11 ILE 54 HD11 ILE 54 209.073 2.743 1.820 438 HD12 ILE 54 HD12 ILE 54 208.094 3.661 2.965 439 HD13 ILE 54 HD13 ILE 54 207.511 3.392 1.322 440 H ARG 55 HN ARG 55 203.203 2.631 3.861 441 HA ARG 55 HA ARG 55 202.829 3.626 1.164 442 HB2 ARG 55 HB2 ARG 55 200.406 2.590 2.609 443 HB3 ARG 55 HB1 ARG 55 200.558 3.048 0.923 444 HG2 ARG 55 HG2 ARG 55 202.014 0.693 2.081 445 HG3 ARG 55 HG1 ARG 55 200.376 0.578 1.438 446 HD2 ARG 55 HD2 ARG 55 202.534 1.823 -0.210 447 HD3 ARG 55 HD1 ARG 55 202.425 0.067 -0.095 448 HE ARG 55 HE ARG 55 200.788 1.748 -1.658 449 HH11 ARG 55 HH11 ARG 55 200.606 -1.078 0.383 450 HH12 ARG 55 HH12 ARG 55 199.219 -1.726 -0.427 451 HH21 ARG 55 HH21 ARG 55 198.966 0.895 -2.725 452 HH22 ARG 55 HH22 ARG 55 198.289 -0.607 -2.191 453 H SER 56 HN SER 56 202.266 5.732 1.186 454 HA SER 56 HA SER 56 202.485 7.277 3.453 455 HB2 SER 56 HB2 SER 56 200.997 7.878 0.890 456 HB3 SER 56 HB1 SER 56 201.354 9.083 2.128 457 HG SER 56 HG SER 56 203.614 8.440 1.818 458 H LYS 57 HN LYS 57 201.150 8.343 4.796 459 HA LYS 57 HA LYS 57 198.974 6.933 5.803 460 HB2 LYS 57 HB2 LYS 57 200.435 8.574 7.018 461 HB3 LYS 57 HB1 LYS 57 199.521 9.858 6.238 462 HG2 LYS 57 HG2 LYS 57 197.467 8.656 7.206 463 HG3 LYS 57 HG1 LYS 57 198.638 7.886 8.276 464 HD2 LYS 57 HD2 LYS 57 199.285 9.948 9.221 465 HD3 LYS 57 HD1 LYS 57 198.509 10.869 7.931 466 HE2 LYS 57 HE2 LYS 57 196.803 9.085 9.580 467 HE3 LYS 57 HE1 LYS 57 197.398 10.568 10.325 468 HZ1 LYS 57 HZ1 LYS 57 196.082 10.614 7.682 469 HZ2 LYS 57 HZ2 LYS 57 196.282 11.879 8.786 470 HZ3 LYS 57 HZ3 LYS 57 195.172 10.644 9.109 471 H LEU 58 HN LEU 58 199.118 9.138 3.190 472 HA LEU 58 HA LEU 58 196.677 10.399 3.228 473 HB2 LEU 58 HB2 LEU 58 196.808 10.224 0.688 474 HB3 LEU 58 HB1 LEU 58 198.117 11.034 1.526 475 HG LEU 58 HG LEU 58 199.024 8.437 1.374 476 HD11 LEU 58 HD11 LEU 58 197.657 7.446 -0.128 477 HD12 LEU 58 HD12 LEU 58 198.719 8.261 -1.276 478 HD13 LEU 58 HD13 LEU 58 197.163 8.975 -0.854 479 HD21 LEU 58 HD21 LEU 58 200.512 9.321 -0.395 480 HD22 LEU 58 HD22 LEU 58 200.375 10.396 0.996 481 HD23 LEU 58 HD23 LEU 58 199.496 10.760 -0.489 482 H ASN 59 HN ASN 59 197.368 7.174 1.873 483 HA ASN 59 HA ASN 59 194.780 6.215 2.596 484 HB2 ASN 59 HB2 ASN 59 195.252 7.180 -0.172 485 HB3 ASN 59 HB1 ASN 59 194.400 5.648 -0.002 486 HD21 ASN 59 HD21 ASN 59 193.430 8.196 -0.996 487 HD22 ASN 59 HD22 ASN 59 192.088 8.627 0.003 488 H ASP 60 HN ASP 60 196.976 5.512 -0.121 489 HA ASP 60 HA ASP 60 198.345 3.391 1.062 490 HB2 ASP 60 HB2 ASP 60 197.199 1.487 -0.175 491 HB3 ASP 60 HB1 ASP 60 196.334 2.136 1.215 492 H PHE 61 HN PHE 61 199.907 4.595 -0.148 493 HA PHE 61 HA PHE 61 200.084 3.681 -2.926 494 HB2 PHE 61 HB2 PHE 61 199.906 6.469 -1.992 495 HB3 PHE 61 HB1 PHE 61 201.220 6.156 -3.120 496 HD1 PHE 61 HD2 PHE 61 197.611 5.274 -2.749 497 HD2 PHE 61 HD1 PHE 61 200.761 6.502 -5.332 498 HE1 PHE 61 HE2 PHE 61 196.023 5.385 -4.623 499 HE2 PHE 61 HE1 PHE 61 199.179 6.617 -7.212 500 HZ PHE 61 HZ PHE 61 196.806 6.059 -6.860 501 H ALA 62 HN ALA 62 201.925 2.628 -3.194 502 HA ALA 62 HA ALA 62 204.151 3.157 -1.364 503 HB1 ALA 62 HB1 ALA 62 203.016 0.797 -2.231 504 HB2 ALA 62 HB2 ALA 62 204.572 0.968 -1.418 505 HB3 ALA 62 HB3 ALA 62 204.498 0.914 -3.180 506 H ILE 63 HN ILE 63 206.221 3.601 -2.077 507 HA ILE 63 HA ILE 63 206.403 5.003 -4.579 508 HB ILE 63 HB ILE 63 208.915 4.370 -3.154 509 HG12 ILE 63 HG12 ILE 63 207.966 6.541 -1.695 510 HG13 ILE 63 HG11 ILE 63 206.608 5.422 -1.710 511 HG21 ILE 63 HG21 ILE 63 209.271 6.795 -3.527 512 HG22 ILE 63 HG22 ILE 63 207.674 6.876 -4.266 513 HG23 ILE 63 HG23 ILE 63 208.935 5.889 -5.001 514 HD11 ILE 63 HD11 ILE 63 209.404 4.665 -0.902 515 HD12 ILE 63 HD12 ILE 63 207.939 3.697 -0.731 516 HD13 ILE 63 HD13 ILE 63 208.143 5.165 0.226 517 H ASP 64 HN ASP 64 207.860 4.516 -6.309 518 HA ASP 64 HA ASP 64 208.795 1.739 -6.363 519 HB2 ASP 64 HB2 ASP 64 207.939 1.339 -8.531 520 HB3 ASP 64 HB1 ASP 64 206.626 2.039 -7.597 521 H ALA 65 HN ALA 65 210.776 1.452 -7.032 522 HA ALA 65 HA ALA 65 212.280 3.760 -8.028 523 HB1 ALA 65 HB1 ALA 65 213.649 2.950 -6.446 524 HB2 ALA 65 HB2 ALA 65 214.151 1.823 -7.706 525 HB3 ALA 65 HB3 ALA 65 212.945 1.336 -6.516 526 H SER 66 HN SER 66 210.506 2.645 -9.877 527 HA SER 66 HA SER 66 211.849 0.811 -11.612 528 HB2 SER 66 HB2 SER 66 209.357 1.030 -11.442 529 HB3 SER 66 HB1 SER 66 209.489 2.583 -12.267 530 HG SER 66 HG SER 66 210.367 0.089 -13.303 531 H HIS 67 HN HIS 67 211.225 4.297 -11.710 532 HA HIS 67 HA HIS 67 212.903 4.551 -14.085 533 HB2 HIS 67 HB2 HIS 67 211.139 6.507 -12.617 534 HB3 HIS 67 HB1 HIS 67 212.170 6.964 -13.960 535 HD1 HIS 67 HD1 HIS 67 210.450 3.680 -14.159 536 HD2 HIS 67 HD2 HIS 67 209.861 7.575 -15.481 537 HE1 HIS 67 HE1 HIS 67 208.629 3.535 -15.886 538 HE2 HIS 67 HE2 HIS 67 208.356 5.890 -16.739 539 H GLU 68 HN GLU 68 214.394 6.534 -14.086 540 HA GLU 68 HA GLU 68 216.503 6.156 -12.381 541 HB2 GLU 68 HB2 GLU 68 215.761 8.814 -13.606 542 HB3 GLU 68 HB1 GLU 68 217.369 8.279 -13.136 543 HG2 GLU 68 HG2 GLU 68 216.992 6.384 -14.841 544 HG3 GLU 68 HG1 GLU 68 215.699 7.412 -15.458 545 H GLN 69 HN GLN 69 213.801 8.399 -12.001 546 HA GLN 69 HA GLN 69 214.768 9.066 -9.312 547 HB2 GLN 69 HB2 GLN 69 212.472 10.607 -10.009 548 HB3 GLN 69 HB1 GLN 69 214.122 11.154 -9.769 549 HG2 GLN 69 HG2 GLN 69 213.667 11.909 -11.889 550 HG3 GLN 69 HG1 GLN 69 214.478 10.379 -12.215 551 HE21 GLN 69 HE21 GLN 69 211.274 11.814 -11.801 552 HE22 GLN 69 HE22 GLN 69 210.468 10.774 -12.921 553 H ILE 70 HN ILE 70 213.525 8.630 -7.517 554 HA ILE 70 HA ILE 70 211.623 6.532 -7.778 555 HB ILE 70 HB ILE 70 211.809 8.090 -5.236 556 HG12 ILE 70 HG12 ILE 70 214.123 7.934 -5.974 557 HG13 ILE 70 HG11 ILE 70 213.845 6.827 -4.639 558 HG21 ILE 70 HG21 ILE 70 210.990 6.216 -4.321 559 HG22 ILE 70 HG22 ILE 70 212.085 5.182 -5.239 560 HG23 ILE 70 HG23 ILE 70 210.588 5.753 -5.975 561 HD11 ILE 70 HD11 ILE 70 214.624 5.167 -5.866 562 HD12 ILE 70 HD12 ILE 70 214.867 6.272 -7.220 563 HD13 ILE 70 HD13 ILE 70 213.331 5.424 -7.038 564 H GLU 71 HN GLU 71 209.490 6.508 -7.693 565 HA GLU 71 HA GLU 71 208.032 9.032 -7.318 566 HB2 GLU 71 HB2 GLU 71 206.543 8.392 -9.230 567 HB3 GLU 71 HB1 GLU 71 208.183 8.824 -9.694 568 HG2 GLU 71 HG2 GLU 71 208.295 6.087 -9.298 569 HG3 GLU 71 HG1 GLU 71 206.736 6.350 -10.077 570 H THR 72 HN THR 72 205.661 8.671 -7.061 571 HA THR 72 HA THR 72 205.211 6.255 -5.455 572 HB THR 72 HB THR 72 203.308 7.624 -4.480 573 HG1 THR 72 HG1 THR 72 202.930 9.457 -5.387 574 HG21 THR 72 HG21 THR 72 205.111 9.356 -3.465 575 HG22 THR 72 HG22 THR 72 206.173 8.086 -4.070 576 HG23 THR 72 HG23 THR 72 204.903 7.695 -2.910 577 H GLN 73 HN GLN 73 203.486 4.931 -5.818 578 HA GLN 73 HA GLN 73 201.316 5.612 -7.541 579 HB2 GLN 73 HB2 GLN 73 202.381 3.312 -8.849 580 HB3 GLN 73 HB1 GLN 73 202.051 4.898 -9.526 581 HG2 GLN 73 HG2 GLN 73 204.259 5.643 -9.080 582 HG3 GLN 73 HG1 GLN 73 204.607 4.219 -8.100 583 HE21 GLN 73 HE21 GLN 73 204.415 5.529 -11.272 584 HE22 GLN 73 HE22 GLN 73 205.019 4.149 -12.118 585 HA PRO 74 HA PRO 74 199.210 2.371 -5.429 586 HB2 PRO 74 HB2 PRO 74 198.449 1.142 -8.026 587 HB3 PRO 74 HB1 PRO 74 197.421 1.695 -6.699 588 HG2 PRO 74 HG2 PRO 74 197.601 3.095 -8.960 589 HG3 PRO 74 HG1 PRO 74 197.498 3.908 -7.387 590 HD2 PRO 74 HD2 PRO 74 199.877 3.473 -9.145 591 HD3 PRO 74 HD1 PRO 74 199.445 4.886 -8.161 592 H PHE 75 HN PHE 75 199.657 0.357 -4.620 593 HA PHE 75 HA PHE 75 202.070 -0.885 -5.232 594 HB2 PHE 75 HB2 PHE 75 200.929 -1.147 -3.081 595 HB3 PHE 75 HB1 PHE 75 199.642 -2.059 -3.863 596 HD1 PHE 75 HD1 PHE 75 200.034 -4.330 -4.657 597 HD2 PHE 75 HD2 PHE 75 203.060 -2.142 -2.616 598 HE1 PHE 75 HE1 PHE 75 201.286 -6.415 -4.285 599 HE2 PHE 75 HE2 PHE 75 204.317 -4.223 -2.241 600 HZ PHE 75 HZ PHE 75 203.431 -6.363 -3.076 601 H ASP 76 HN ASP 76 202.693 -2.309 -6.717 602 HA ASP 76 HA ASP 76 200.615 -3.667 -8.305 603 HB2 ASP 76 HB2 ASP 76 203.092 -2.237 -9.108 604 HB3 ASP 76 HB1 ASP 76 202.700 -3.706 -9.997 605 HA PRO 77 HA PRO 77 202.480 -7.380 -6.714 606 HB2 PRO 77 HB2 PRO 77 201.295 -9.155 -8.401 607 HB3 PRO 77 HB1 PRO 77 200.457 -8.410 -7.034 608 HG2 PRO 77 HG2 PRO 77 200.389 -7.664 -9.933 609 HG3 PRO 77 HG1 PRO 77 199.051 -7.770 -8.773 610 HD2 PRO 77 HD2 PRO 77 200.172 -5.414 -9.466 611 HD3 PRO 77 HD1 PRO 77 199.532 -5.714 -7.838 612 H ASN 78 HN ASN 78 202.443 -6.764 -10.206 613 HA ASN 78 HA ASN 78 204.682 -8.554 -10.629 614 HB2 ASN 78 HB2 ASN 78 202.819 -7.018 -12.372 615 HB3 ASN 78 HB1 ASN 78 204.399 -7.437 -13.028 616 HD21 ASN 78 HD21 ASN 78 202.175 -9.161 -10.875 617 HD22 ASN 78 HD22 ASN 78 202.039 -10.572 -11.863 618 H ASN 79 HN ASN 79 204.481 -5.499 -9.446 619 HA ASN 79 HA ASN 79 206.895 -4.567 -10.836 620 HB2 ASN 79 HB2 ASN 79 204.594 -3.209 -10.326 621 HB3 ASN 79 HB1 ASN 79 205.569 -2.744 -8.935 622 HD21 ASN 79 HD21 ASN 79 204.810 -2.022 -12.072 623 HD22 ASN 79 HD22 ASN 79 206.162 -1.020 -12.461 624 HA PRO 80 HA PRO 80 208.801 -5.838 -6.915 625 HB2 PRO 80 HB2 PRO 80 211.317 -5.875 -8.335 626 HB3 PRO 80 HB1 PRO 80 210.398 -7.234 -7.690 627 HG2 PRO 80 HG2 PRO 80 210.749 -6.760 -10.363 628 HG3 PRO 80 HG1 PRO 80 209.375 -7.652 -9.687 629 HD2 PRO 80 HD2 PRO 80 209.526 -4.806 -10.603 630 HD3 PRO 80 HD1 PRO 80 208.219 -5.991 -10.809 631 H LYS 81 HN LYS 81 208.533 -2.981 -8.104 632 HA LYS 81 HA LYS 81 210.821 -1.827 -6.683 633 HB2 LYS 81 HB2 LYS 81 209.293 -0.841 -9.090 634 HB3 LYS 81 HB1 LYS 81 210.439 0.142 -8.202 635 HG2 LYS 81 HG2 LYS 81 211.765 -0.634 -9.888 636 HG3 LYS 81 HG1 LYS 81 212.055 -1.862 -8.654 637 HD2 LYS 81 HD2 LYS 81 210.640 -3.411 -9.711 638 HD3 LYS 81 HD1 LYS 81 209.900 -2.169 -10.724 639 HE2 LYS 81 HE2 LYS 81 212.230 -1.855 -11.726 640 HE3 LYS 81 HE1 LYS 81 212.640 -3.380 -10.942 641 HZ1 LYS 81 HZ1 LYS 81 211.925 -3.640 -13.268 642 HZ2 LYS 81 HZ2 LYS 81 210.402 -3.029 -12.860 643 HZ3 LYS 81 HZ3 LYS 81 210.935 -4.486 -12.187 644 H ARG 82 HN ARG 82 207.395 -2.030 -6.995 645 HA ARG 82 HA ARG 82 206.836 0.388 -5.510 646 HB2 ARG 82 HB2 ARG 82 205.205 -1.719 -6.846 647 HB3 ARG 82 HB1 ARG 82 204.448 -0.693 -5.634 648 HG2 ARG 82 HG2 ARG 82 205.074 1.286 -6.898 649 HG3 ARG 82 HG1 ARG 82 205.859 0.272 -8.111 650 HD2 ARG 82 HD2 ARG 82 203.241 -0.719 -7.774 651 HD3 ARG 82 HD1 ARG 82 203.117 1.036 -7.887 652 HE ARG 82 HE ARG 82 204.792 -0.147 -9.904 653 HH11 ARG 82 HH11 ARG 82 201.528 0.744 -9.047 654 HH12 ARG 82 HH12 ARG 82 200.996 0.864 -10.691 655 HH21 ARG 82 HH21 ARG 82 204.092 0.012 -12.068 656 HH22 ARG 82 HH22 ARG 82 202.450 0.446 -12.405 657 H ALA 83 HN ALA 83 208.278 -2.010 -4.275 658 HA ALA 83 HA ALA 83 206.552 -2.143 -1.896 659 HB1 ALA 83 HB1 ALA 83 208.050 -4.512 -1.920 660 HB2 ALA 83 HB2 ALA 83 207.377 -4.335 -3.541 661 HB3 ALA 83 HB3 ALA 83 206.310 -4.332 -2.138 662 H TRP 84 HN TRP 84 207.640 -0.734 -0.652 663 HA TRP 84 HA TRP 84 210.524 -1.176 -0.299 664 HB2 TRP 84 HB2 TRP 84 208.824 1.266 0.210 665 HB3 TRP 84 HB1 TRP 84 210.540 1.149 0.600 666 HD1 TRP 84 HD1 TRP 84 208.231 0.945 -2.506 667 HE1 TRP 84 HE1 TRP 84 209.580 1.748 -4.547 668 HE3 TRP 84 HE3 TRP 84 212.754 1.629 -0.249 669 HZ2 TRP 84 HZ2 TRP 84 212.213 2.581 -5.107 670 HZ3 TRP 84 HZ3 TRP 84 214.638 2.426 -1.603 671 HH2 TRP 84 HH2 TRP 84 214.373 2.893 -3.985 672 H ILE 85 HN ILE 85 211.380 -1.646 1.612 673 HA ILE 85 HA ILE 85 209.541 -1.910 3.906 674 HB ILE 85 HB ILE 85 211.171 -3.610 4.765 675 HG12 ILE 85 HG12 ILE 85 212.266 -3.515 1.946 676 HG13 ILE 85 HG11 ILE 85 213.081 -2.831 3.349 677 HG21 ILE 85 HG21 ILE 85 209.065 -3.921 3.100 678 HG22 ILE 85 HG22 ILE 85 209.965 -5.257 3.818 679 HG23 ILE 85 HG23 ILE 85 210.333 -4.726 2.177 680 HD11 ILE 85 HD11 ILE 85 212.434 -5.501 3.981 681 HD12 ILE 85 HD12 ILE 85 214.026 -4.789 3.720 682 HD13 ILE 85 HD13 ILE 85 213.143 -5.494 2.366 683 H VAL 86 HN VAL 86 210.396 -1.394 6.022 684 HA VAL 86 HA VAL 86 212.475 0.663 5.868 685 HB VAL 86 HB VAL 86 210.769 0.147 8.282 686 HG11 VAL 86 HG11 VAL 86 212.235 1.717 8.966 687 HG12 VAL 86 HG12 VAL 86 211.129 2.810 8.135 688 HG13 VAL 86 HG13 VAL 86 212.592 2.253 7.324 689 HG21 VAL 86 HG21 VAL 86 209.932 1.261 5.689 690 HG22 VAL 86 HG22 VAL 86 209.497 2.222 7.103 691 HG23 VAL 86 HG23 VAL 86 208.969 0.543 6.981 692 H SER 87 HN SER 87 214.438 0.249 6.582 693 HA SER 87 HA SER 87 214.816 -1.973 8.480 694 HB2 SER 87 HB2 SER 87 215.819 -2.510 6.335 695 HB3 SER 87 HB1 SER 87 216.673 -0.967 6.310 696 HG SER 87 HG SER 87 217.846 -1.667 8.133 697 H GLY 88 HN GLY 88 214.732 -0.781 10.369 698 HA2 GLY 88 HA2 GLY 88 215.671 0.419 12.091 699 HA3 GLY 88 HA1 GLY 88 217.129 0.556 11.121 700 H ASN 89 HN ASN 89 217.559 2.408 10.064 701 HA ASN 89 HA ASN 89 215.563 4.562 10.286 702 HB2 ASN 89 HB2 ASN 89 217.394 6.116 10.642 703 HB3 ASN 89 HB1 ASN 89 217.507 4.813 11.819 704 HD21 ASN 89 HD21 ASN 89 218.706 5.759 8.609 705 HD22 ASN 89 HD22 ASN 89 220.273 5.063 8.803 706 H THR 90 HN THR 90 216.030 2.706 8.036 707 HA THR 90 HA THR 90 216.470 4.741 6.006 708 HB THR 90 HB THR 90 217.866 2.767 4.855 709 HG1 THR 90 HG1 THR 90 217.750 1.461 6.735 710 HG21 THR 90 HG21 THR 90 219.936 3.864 6.063 711 HG22 THR 90 HG22 THR 90 218.715 5.044 6.540 712 HG23 THR 90 HG23 THR 90 219.012 4.724 4.831 713 H ILE 91 HN ILE 91 215.559 4.334 4.035 714 HA ILE 91 HA ILE 91 213.498 2.251 4.003 715 HB ILE 91 HB ILE 91 213.929 4.421 1.943 716 HG12 ILE 91 HG12 ILE 91 213.647 5.523 4.084 717 HG13 ILE 91 HG11 ILE 91 212.158 5.684 3.158 718 HG21 ILE 91 HG21 ILE 91 211.841 3.892 1.126 719 HG22 ILE 91 HG22 ILE 91 211.307 3.176 2.646 720 HG23 ILE 91 HG23 ILE 91 212.437 2.304 1.610 721 HD11 ILE 91 HD11 ILE 91 211.981 3.329 4.734 722 HD12 ILE 91 HD12 ILE 91 211.019 4.804 4.830 723 HD13 ILE 91 HD13 ILE 91 212.509 4.661 5.762 724 H ALA 92 HN ALA 92 213.910 0.378 3.012 725 HA ALA 92 HA ALA 92 215.863 0.395 0.801 726 HB1 ALA 92 HB1 ALA 92 215.494 -1.992 2.573 727 HB2 ALA 92 HB2 ALA 92 216.554 -0.665 3.051 728 HB3 ALA 92 HB3 ALA 92 216.869 -1.553 1.560 729 H GLN 93 HN GLN 93 215.538 -0.970 -0.923 730 HA GLN 93 HA GLN 93 212.878 -1.461 -1.709 731 HB2 GLN 93 HB2 GLN 93 215.188 -1.180 -3.017 732 HB3 GLN 93 HB1 GLN 93 215.112 -2.934 -3.008 733 HG2 GLN 93 HG2 GLN 93 213.993 -2.630 -4.918 734 HG3 GLN 93 HG1 GLN 93 212.625 -2.374 -3.835 735 HE21 GLN 93 HE21 GLN 93 215.366 -0.260 -4.569 736 HE22 GLN 93 HE22 GLN 93 214.420 1.045 -5.187 737 H LEU 94 HN LEU 94 211.775 -3.400 -2.081 738 HA LEU 94 HA LEU 94 212.053 -5.375 -0.091 739 HB2 LEU 94 HB2 LEU 94 210.204 -6.479 -1.067 740 HB3 LEU 94 HB1 LEU 94 209.916 -4.765 -1.252 741 HG LEU 94 HG LEU 94 210.987 -6.505 -3.475 742 HD11 LEU 94 HD11 LEU 94 208.306 -6.312 -2.419 743 HD12 LEU 94 HD12 LEU 94 208.979 -7.416 -3.616 744 HD13 LEU 94 HD13 LEU 94 208.394 -5.831 -4.114 745 HD21 LEU 94 HD21 LEU 94 210.221 -4.673 -4.905 746 HD22 LEU 94 HD22 LEU 94 211.436 -4.122 -3.758 747 HD23 LEU 94 HD23 LEU 94 209.732 -3.762 -3.485 748 H SER 95 HN SER 95 212.564 -5.680 -3.625 749 HA SER 95 HA SER 95 213.756 -8.257 -3.346 750 HB2 SER 95 HB2 SER 95 212.513 -7.017 -5.390 751 HB3 SER 95 HB1 SER 95 214.193 -6.743 -5.853 752 HG SER 95 HG SER 95 213.702 -8.685 -6.711 753 H ASP 96 HN ASP 96 215.014 -5.292 -2.630 754 HA ASP 96 HA ASP 96 217.717 -6.329 -2.906 755 HB2 ASP 96 HB2 ASP 96 217.229 -4.929 -4.929 756 HB3 ASP 96 HB1 ASP 96 217.004 -3.551 -3.858 757 H ARG 97 HN ARG 97 217.794 -6.538 -0.689 758 HA ARG 97 HA ARG 97 217.144 -4.390 1.080 759 HB2 ARG 97 HB2 ARG 97 218.513 -7.048 1.420 760 HB3 ARG 97 HB1 ARG 97 218.421 -5.894 2.740 761 HG2 ARG 97 HG2 ARG 97 215.861 -6.408 1.425 762 HG3 ARG 97 HG1 ARG 97 216.577 -7.819 2.206 763 HD2 ARG 97 HD2 ARG 97 216.118 -5.146 3.526 764 HD3 ARG 97 HD1 ARG 97 215.074 -6.553 3.698 765 HE ARG 97 HE ARG 97 216.746 -7.618 4.964 766 HH11 ARG 97 HH11 ARG 97 217.681 -4.383 4.017 767 HH12 ARG 97 HH12 ARG 97 218.936 -4.272 5.202 768 HH21 ARG 97 HH21 ARG 97 218.398 -7.462 6.515 769 HH22 ARG 97 HH22 ARG 97 219.345 -6.016 6.616 770 H ASP 98 HN ASP 98 219.798 -5.090 -0.904 771 HA ASP 98 HA ASP 98 221.764 -3.754 0.759 772 HB2 ASP 98 HB2 ASP 98 221.796 -5.315 -1.756 773 HB3 ASP 98 HB1 ASP 98 223.024 -4.060 -1.611 774 H ILE 99 HN ILE 99 219.278 -2.517 -0.769 775 HA ILE 99 HA ILE 99 220.755 -0.116 -1.581 776 HB ILE 99 HB ILE 99 220.018 -1.355 -3.617 777 HG12 ILE 99 HG12 ILE 99 218.350 1.110 -3.511 778 HG13 ILE 99 HG11 ILE 99 220.076 1.264 -3.223 779 HG21 ILE 99 HG21 ILE 99 218.006 -2.371 -2.770 780 HG22 ILE 99 HG22 ILE 99 217.616 -1.371 -4.165 781 HG23 ILE 99 HG23 ILE 99 217.263 -0.793 -2.537 782 HD11 ILE 99 HD11 ILE 99 218.990 1.450 -5.642 783 HD12 ILE 99 HD12 ILE 99 219.262 -0.291 -5.595 784 HD13 ILE 99 HD13 ILE 99 220.613 0.819 -5.370 785 H VAL 100 HN VAL 100 219.816 1.798 -0.963 786 HA VAL 100 HA VAL 100 217.125 1.783 0.139 787 HB VAL 100 HB VAL 100 217.749 2.711 2.278 788 HG11 VAL 100 HG11 VAL 100 218.106 0.716 3.244 789 HG12 VAL 100 HG12 VAL 100 219.571 0.413 2.311 790 HG13 VAL 100 HG13 VAL 100 217.992 0.104 1.598 791 HG21 VAL 100 HG21 VAL 100 220.430 2.804 1.049 792 HG22 VAL 100 HG22 VAL 100 220.367 2.381 2.761 793 HG23 VAL 100 HG23 VAL 100 219.670 3.902 2.201 794 H LEU 101 HN LEU 101 216.108 3.727 -0.006 795 HA LEU 101 HA LEU 101 216.924 5.657 -1.753 796 HB2 LEU 101 HB2 LEU 101 215.225 6.148 0.677 797 HB3 LEU 101 HB1 LEU 101 215.295 7.157 -0.743 798 HG LEU 101 HG LEU 101 214.443 4.301 -0.915 799 HD11 LEU 101 HD11 LEU 101 212.517 6.584 -0.682 800 HD12 LEU 101 HD12 LEU 101 213.064 5.692 0.736 801 HD13 LEU 101 HD13 LEU 101 212.202 4.854 -0.554 802 HD21 LEU 101 HD21 LEU 101 214.073 6.724 -2.655 803 HD22 LEU 101 HD22 LEU 101 213.246 5.189 -2.918 804 HD23 LEU 101 HD23 LEU 101 215.005 5.272 -3.016 805 H ASP 102 HN ASP 102 217.600 7.761 -1.591 806 HA ASP 102 HA ASP 102 219.007 8.637 0.778 807 HB2 ASP 102 HB2 ASP 102 220.572 7.088 -0.266 808 HB3 ASP 102 HB1 ASP 102 220.407 7.930 -1.797 809 H ILE 103 HN ILE 103 220.094 10.779 0.343 810 HA ILE 103 HA ILE 103 218.303 12.414 -1.272 811 HB ILE 103 HB ILE 103 220.552 13.321 0.527 812 HG12 ILE 103 HG12 ILE 103 218.351 13.984 1.899 813 HG13 ILE 103 HG11 ILE 103 217.725 12.562 1.070 814 HG21 ILE 103 HG21 ILE 103 219.294 14.751 -1.399 815 HG22 ILE 103 HG22 ILE 103 219.977 15.447 0.070 816 HG23 ILE 103 HG23 ILE 103 218.255 15.074 -0.010 817 HD11 ILE 103 HD11 ILE 103 220.338 12.361 2.471 818 HD12 ILE 103 HD12 ILE 103 219.102 11.133 2.197 819 HD13 ILE 103 HD13 ILE 103 218.853 12.377 3.422 820 H ILE 104 HN ILE 104 218.809 13.088 -3.278 821 HA ILE 104 HA ILE 104 221.279 12.384 -4.474 822 HB ILE 104 HB ILE 104 219.172 12.582 -5.744 823 HG12 ILE 104 HG12 ILE 104 220.921 14.604 -7.034 824 HG13 ILE 104 HG11 ILE 104 221.672 13.069 -6.611 825 HG21 ILE 104 HG21 ILE 104 218.706 14.861 -4.456 826 HG22 ILE 104 HG22 ILE 104 218.003 14.509 -6.035 827 HG23 ILE 104 HG23 ILE 104 219.437 15.528 -5.916 828 HD11 ILE 104 HD11 ILE 104 219.367 13.559 -8.466 829 HD12 ILE 104 HD12 ILE 104 219.780 11.956 -7.859 830 HD13 ILE 104 HD13 ILE 104 220.943 12.856 -8.832 831 H LYS 105 HN LYS 105 223.005 13.621 -5.111 832 HA LYS 105 HA LYS 105 224.523 15.311 -5.125 833 HB2 LYS 105 HB2 LYS 105 221.975 16.700 -5.047 834 HB3 LYS 105 HB1 LYS 105 223.231 17.608 -4.216 835 HG2 LYS 105 HG2 LYS 105 224.465 17.914 -6.125 836 HG3 LYS 105 HG1 LYS 105 223.805 16.478 -6.911 837 HD2 LYS 105 HD2 LYS 105 221.827 17.558 -7.498 838 HD3 LYS 105 HD1 LYS 105 222.047 18.823 -6.287 839 HE2 LYS 105 HE2 LYS 105 224.254 19.181 -7.823 840 HE3 LYS 105 HE1 LYS 105 223.096 18.617 -9.026 841 HZ1 LYS 105 HZ1 LYS 105 221.627 20.409 -7.716 842 HZ2 LYS 105 HZ2 LYS 105 222.550 20.782 -9.084 843 HZ3 LYS 105 HZ3 LYS 105 223.158 21.107 -7.540 844 H SER 106 HN SER 106 223.061 14.149 -2.417 845 HA SER 106 HA SER 106 223.386 14.345 -0.159 846 HB2 SER 106 HB2 SER 106 226.265 14.855 -0.878 847 HB3 SER 106 HB1 SER 106 225.616 13.922 0.471 848 HG SER 106 HG SER 106 226.471 12.779 -1.504 849 H ASP 107 HN ASP 107 222.722 16.869 -1.448 850 HA ASP 107 HA ASP 107 224.262 18.791 0.147 851 HB2 ASP 107 HB2 ASP 107 223.846 19.064 -2.392 852 HB3 ASP 107 HB1 ASP 107 222.213 19.530 -1.926 853 H LYS 108 HN LYS 108 223.045 20.571 1.165 854 HA LYS 108 HA LYS 108 220.857 19.504 2.713 855 HB2 LYS 108 HB2 LYS 108 222.841 21.506 3.060 856 HB3 LYS 108 HB1 LYS 108 221.274 22.288 3.219 857 HG2 LYS 108 HG2 LYS 108 220.708 21.081 5.088 858 HG3 LYS 108 HG1 LYS 108 221.782 19.742 4.681 859 HD2 LYS 108 HD2 LYS 108 223.201 20.608 6.173 860 HD3 LYS 108 HD1 LYS 108 223.506 21.878 4.986 861 HE2 LYS 108 HE2 LYS 108 222.904 23.218 6.705 862 HE3 LYS 108 HE1 LYS 108 221.282 22.855 6.117 863 HZ1 LYS 108 HZ1 LYS 108 221.531 20.849 7.752 864 HZ2 LYS 108 HZ2 LYS 108 221.057 22.370 8.319 865 HZ3 LYS 108 HZ3 LYS 108 222.658 21.861 8.505 866 H GLU 109 HN GLU 109 221.150 21.288 -0.154 867 HA GLU 109 HA GLU 109 219.094 23.099 -0.159 868 HB2 GLU 109 HB2 GLU 109 220.333 21.380 -2.242 869 HB3 GLU 109 HB1 GLU 109 218.812 22.163 -2.651 870 HG2 GLU 109 HG2 GLU 109 219.715 24.305 -2.404 871 HG3 GLU 109 HG1 GLU 109 221.119 23.705 -1.522 872 H ALA 110 HN ALA 110 216.925 23.057 -0.142 873 HA ALA 110 HA ALA 110 215.602 20.544 0.371 874 HB1 ALA 110 HB1 ALA 110 215.185 23.030 1.310 875 HB2 ALA 110 HB2 ALA 110 213.954 21.767 1.310 876 HB3 ALA 110 HB3 ALA 110 213.974 22.978 0.029 877 H GLY 111 HN GLY 111 213.632 19.889 -0.764 878 HA2 GLY 111 HA2 GLY 111 212.357 19.500 -2.640 879 HA3 GLY 111 HA1 GLY 111 213.040 20.955 -3.353 880 H ALA 112 HN ALA 112 215.337 18.697 -2.195 881 HA ALA 112 HA ALA 112 216.229 18.188 -4.890 882 HB1 ALA 112 HB1 ALA 112 217.318 17.343 -2.210 883 HB2 ALA 112 HB2 ALA 112 217.903 18.649 -3.241 884 HB3 ALA 112 HB3 ALA 112 218.083 16.972 -3.755 885 H HIS 113 HN HIS 113 216.066 16.347 -6.024 886 HA HIS 113 HA HIS 113 214.082 14.467 -5.404 887 HB2 HIS 113 HB2 HIS 113 216.180 14.732 -7.492 888 HB3 HIS 113 HB1 HIS 113 215.478 13.135 -7.263 889 HD1 HIS 113 HD1 HIS 113 214.906 16.301 -8.939 890 HD2 HIS 113 HD2 HIS 113 212.552 13.158 -7.578 891 HE1 HIS 113 HE1 HIS 113 212.703 16.549 -10.126 892 HE2 HIS 113 HE2 HIS 113 211.317 14.598 -9.338 893 H ILE 114 HN ILE 114 214.596 12.027 -5.495 894 HA ILE 114 HA ILE 114 216.961 11.330 -3.947 895 HB ILE 114 HB ILE 114 215.303 9.800 -2.605 896 HG12 ILE 114 HG12 ILE 114 213.581 12.114 -3.477 897 HG13 ILE 114 HG11 ILE 114 213.245 10.394 -3.643 898 HG21 ILE 114 HG21 ILE 114 216.630 12.243 -2.132 899 HG22 ILE 114 HG22 ILE 114 216.155 11.019 -0.956 900 HG23 ILE 114 HG23 ILE 114 215.060 12.346 -1.340 901 HD11 ILE 114 HD11 ILE 114 213.047 10.215 -1.212 902 HD12 ILE 114 HD12 ILE 114 211.899 11.369 -1.892 903 HD13 ILE 114 HD13 ILE 114 213.349 11.947 -1.070 904 H CYS 115 HN CYS 115 217.302 8.948 -3.843 905 HA CYS 115 HA CYS 115 215.833 7.319 -5.693 906 HB2 CYS 115 HB2 CYS 115 217.653 8.686 -6.967 907 HB3 CYS 115 HB1 CYS 115 218.777 7.578 -6.190 908 HG CYS 115 HG CYS 115 217.540 6.949 -8.690 909 H ALA 116 HN ALA 116 216.910 5.044 -5.725 910 HA ALA 116 HA ALA 116 217.679 4.450 -2.970 911 HB1 ALA 116 HB1 ALA 116 215.979 3.184 -4.756 912 HB2 ALA 116 HB2 ALA 116 216.554 2.541 -3.218 913 HB3 ALA 116 HB3 ALA 116 217.406 2.155 -4.713 914 H TRP 117 HN TRP 117 219.727 4.008 -2.450 915 HA TRP 117 HA TRP 117 221.537 3.183 -4.613 916 HB2 TRP 117 HB2 TRP 117 221.927 5.541 -4.239 917 HB3 TRP 117 HB1 TRP 117 222.153 5.264 -2.519 918 HD1 TRP 117 HD1 TRP 117 224.581 4.935 -1.757 919 HE1 TRP 117 HE1 TRP 117 226.823 4.465 -2.931 920 HE3 TRP 117 HE3 TRP 117 222.868 4.194 -6.517 921 HZ2 TRP 117 HZ2 TRP 117 227.744 3.860 -5.530 922 HZ3 TRP 117 HZ3 TRP 117 224.494 3.675 -8.288 923 HH2 TRP 117 HH2 TRP 117 226.882 3.512 -7.804 924 H LYS 118 HN LYS 118 223.514 2.237 -3.921 925 HA LYS 118 HA LYS 118 223.125 0.126 -2.097 926 HB2 LYS 118 HB2 LYS 118 224.761 0.313 -4.100 927 HB3 LYS 118 HB1 LYS 118 225.855 1.056 -2.941 928 HG2 LYS 118 HG2 LYS 118 226.530 -1.100 -2.751 929 HG3 LYS 118 HG1 LYS 118 225.249 -1.102 -1.536 930 HD2 LYS 118 HD2 LYS 118 224.573 -2.933 -2.682 931 HD3 LYS 118 HD1 LYS 118 223.804 -1.723 -3.711 932 HE2 LYS 118 HE2 LYS 118 224.907 -3.056 -5.248 933 HE3 LYS 118 HE1 LYS 118 226.053 -1.741 -4.993 934 HZ1 LYS 118 HZ1 LYS 118 227.519 -3.097 -3.981 935 HZ2 LYS 118 HZ2 LYS 118 226.720 -4.303 -4.857 936 HZ3 LYS 118 HZ3 LYS 118 226.328 -4.038 -3.233 937 H GLN 119 HN GLN 119 223.305 0.047 0.045 938 HA GLN 119 HA GLN 119 223.806 2.253 1.649 939 HB2 GLN 119 HB2 GLN 119 222.644 0.151 2.345 940 HB3 GLN 119 HB1 GLN 119 224.214 -0.635 2.440 941 HG2 GLN 119 HG2 GLN 119 224.337 0.026 4.545 942 HG3 GLN 119 HG1 GLN 119 224.477 1.683 3.960 943 HE21 GLN 119 HE21 GLN 119 221.770 -0.605 4.040 944 HE22 GLN 119 HE22 GLN 119 220.704 0.421 4.933 945 H HIS 120 HN HIS 120 225.599 3.331 2.106 946 HA HIS 120 HA HIS 120 228.161 1.882 2.092 947 HB2 HIS 120 HB2 HIS 120 229.207 3.997 1.225 948 HB3 HIS 120 HB1 HIS 120 228.147 3.179 0.083 949 HD1 HIS 120 HD1 HIS 120 228.825 6.427 1.433 950 HD2 HIS 120 HD2 HIS 120 225.428 4.437 0.106 951 HE1 HIS 120 HE1 HIS 120 227.129 8.225 0.972 952 HE2 HIS 120 HE2 HIS 120 225.124 7.005 0.060 953 H GLY 121 HN GLY 121 226.026 3.400 4.023 954 HA2 GLY 121 HA2 GLY 121 226.264 4.022 6.240 955 HA3 GLY 121 HA1 GLY 121 228.004 3.865 6.063 956 H GLY 122 HN GLY 122 226.856 5.798 3.591 957 HA2 GLY 122 HA2 GLY 122 228.142 8.112 4.554 958 HA3 GLY 122 HA1 GLY 122 227.059 8.045 3.172 959 HA PRO 123 HA PRO 123 225.153 10.161 7.054 960 HB2 PRO 123 HB2 PRO 123 225.519 12.769 6.346 961 HB3 PRO 123 HB1 PRO 123 226.641 11.873 7.377 962 HG2 PRO 123 HG2 PRO 123 226.814 12.457 4.446 963 HG3 PRO 123 HG1 PRO 123 228.087 12.530 5.679 964 HD2 PRO 123 HD2 PRO 123 227.850 10.443 3.988 965 HD3 PRO 123 HD1 PRO 123 228.412 10.242 5.660 966 H ASN 124 HN ASN 124 225.118 10.707 3.601 967 HA ASN 124 HA ASN 124 222.599 12.053 3.534 968 HB2 ASN 124 HB2 ASN 124 222.731 11.672 1.089 969 HB3 ASN 124 HB1 ASN 124 224.201 12.387 1.743 970 HD21 ASN 124 HD21 ASN 124 224.190 11.141 -0.694 971 HD22 ASN 124 HD22 ASN 124 225.109 9.681 -0.602 972 H GLN 125 HN GLN 125 223.328 8.901 4.268 973 HA GLN 125 HA GLN 125 220.829 7.880 3.099 974 HB2 GLN 125 HB2 GLN 125 222.915 6.123 4.347 975 HB3 GLN 125 HB1 GLN 125 221.720 5.721 3.124 976 HG2 GLN 125 HG2 GLN 125 223.480 7.738 2.114 977 HG3 GLN 125 HG1 GLN 125 224.419 6.395 2.760 978 HE21 GLN 125 HE21 GLN 125 223.538 4.193 2.095 979 HE22 GLN 125 HE22 GLN 125 223.096 4.023 0.433 980 H LYS 126 HN LYS 126 221.452 9.441 5.717 981 HA LYS 126 HA LYS 126 220.276 7.514 7.599 982 HB2 LYS 126 HB2 LYS 126 221.467 10.182 8.326 983 HB3 LYS 126 HB1 LYS 126 221.164 8.805 9.376 984 HG2 LYS 126 HG2 LYS 126 223.067 8.500 7.105 985 HG3 LYS 126 HG1 LYS 126 223.580 9.363 8.556 986 HD2 LYS 126 HD2 LYS 126 222.209 6.793 9.012 987 HD3 LYS 126 HD1 LYS 126 223.791 6.690 8.237 988 HE2 LYS 126 HE2 LYS 126 224.188 6.544 10.562 989 HE3 LYS 126 HE1 LYS 126 224.656 8.176 10.086 990 HZ1 LYS 126 HZ1 LYS 126 221.910 7.776 10.999 991 HZ2 LYS 126 HZ2 LYS 126 222.942 9.098 11.221 992 HZ3 LYS 126 HZ3 LYS 126 223.131 7.710 12.169 993 H PHE 127 HN PHE 127 218.267 7.776 8.369 994 HA PHE 127 HA PHE 127 216.957 10.382 8.066 995 HB2 PHE 127 HB2 PHE 127 215.477 7.825 7.508 996 HB3 PHE 127 HB1 PHE 127 215.004 9.471 7.111 997 HD1 PHE 127 HD1 PHE 127 217.443 6.810 6.271 998 HD2 PHE 127 HD2 PHE 127 215.509 10.391 5.029 999 HE1 PHE 127 HE1 PHE 127 218.381 6.528 4.015 1000 HE2 PHE 127 HE2 PHE 127 216.444 10.116 2.770 1001 HZ PHE 127 HZ PHE 127 217.880 8.181 2.262 1002 H ILE 128 HN ILE 128 215.186 10.722 9.528 1003 HA ILE 128 HA ILE 128 215.330 8.974 11.892 1004 HB ILE 128 HB ILE 128 214.284 11.739 12.135 1005 HG12 ILE 128 HG12 ILE 128 217.243 11.103 12.040 1006 HG13 ILE 128 HG11 ILE 128 216.364 11.989 10.799 1007 HG21 ILE 128 HG21 ILE 128 216.194 10.563 14.052 1008 HG22 ILE 128 HG22 ILE 128 214.632 9.759 13.899 1009 HG23 ILE 128 HG23 ILE 128 214.705 11.465 14.338 1010 HD11 ILE 128 HD11 ILE 128 215.729 13.519 12.858 1011 HD12 ILE 128 HD12 ILE 128 217.234 13.728 11.964 1012 HD13 ILE 128 HD13 ILE 128 217.232 12.852 13.495 1013 H ILE 129 HN ILE 129 213.499 8.258 12.797 1014 HA ILE 129 HA ILE 129 211.001 8.818 11.353 1015 HB ILE 129 HB ILE 129 211.605 6.343 12.964 1016 HG12 ILE 129 HG12 ILE 129 213.185 6.354 11.157 1017 HG13 ILE 129 HG11 ILE 129 211.893 5.240 10.721 1018 HG21 ILE 129 HG21 ILE 129 209.244 6.886 12.644 1019 HG22 ILE 129 HG22 ILE 129 209.701 5.415 11.785 1020 HG23 ILE 129 HG23 ILE 129 209.494 6.927 10.899 1021 HD11 ILE 129 HD11 ILE 129 211.027 7.595 9.636 1022 HD12 ILE 129 HD12 ILE 129 211.882 6.316 8.773 1023 HD13 ILE 129 HD13 ILE 129 212.775 7.691 9.423 1024 H GLU 130 HN GLU 130 209.149 9.297 12.468 1025 HA GLU 130 HA GLU 130 209.259 9.327 15.397 1026 HB2 GLU 130 HB2 GLU 130 209.078 11.654 13.607 1027 HB3 GLU 130 HB1 GLU 130 207.861 11.622 14.876 1028 HG2 GLU 130 HG2 GLU 130 209.337 12.353 16.344 1029 HG3 GLU 130 HG1 GLU 130 210.372 10.962 16.030 1030 H SER 131 HN SER 131 207.798 7.666 15.572 1031 HA SER 131 HA SER 131 205.534 7.174 14.099 1032 HB2 SER 131 HB2 SER 131 206.586 5.794 16.005 1033 HB3 SER 131 HB1 SER 131 205.568 6.751 17.080 1034 HG SER 131 HG SER 131 204.534 5.363 14.842 1035 H GLU 132 HN GLU 132 203.987 8.567 13.585 1036 HA GLU 132 HA GLU 132 202.509 10.308 13.703 1037 HB2 GLU 132 HB2 GLU 132 201.338 8.399 14.798 1038 HB3 GLU 132 HB1 GLU 132 201.876 9.010 16.356 1039 HG2 GLU 132 HG2 GLU 132 200.608 11.124 14.930 1040 HG3 GLU 132 HG1 GLU 132 199.563 9.705 14.901 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 193.760 6.548 11.226 2 H2 MET 1 HT2 MET 1 194.288 5.102 10.465 3 H3 MET 1 HT3 MET 1 195.084 5.674 11.874 4 HA MET 1 HA MET 1 193.139 5.321 13.166 5 HB2 MET 1 HB2 MET 1 191.701 5.718 11.038 6 HB3 MET 1 HB1 MET 1 191.899 3.993 10.770 7 HG2 MET 1 HG2 MET 1 191.117 4.073 13.381 8 HG3 MET 1 HG1 MET 1 190.221 5.421 12.683 9 HE1 MET 1 HE1 MET 1 187.220 3.827 11.447 10 HE2 MET 1 HE2 MET 1 188.129 5.252 11.952 11 HE3 MET 1 HE3 MET 1 187.696 4.017 13.135 12 H LYS 2 HN LYS 2 193.443 2.921 10.543 13 HA LYS 2 HA LYS 2 194.107 0.900 12.528 14 HB2 LYS 2 HB2 LYS 2 193.609 0.579 9.566 15 HB3 LYS 2 HB1 LYS 2 193.755 -0.719 10.742 16 HG2 LYS 2 HG2 LYS 2 191.613 1.395 10.795 17 HG3 LYS 2 HG1 LYS 2 191.423 -0.213 10.095 18 HD2 LYS 2 HD2 LYS 2 191.998 -1.178 12.318 19 HD3 LYS 2 HD1 LYS 2 192.001 0.458 12.978 20 HE2 LYS 2 HE2 LYS 2 189.666 0.731 12.372 21 HE3 LYS 2 HE1 LYS 2 189.652 -0.866 11.628 22 HZ1 LYS 2 HZ1 LYS 2 190.434 -0.627 14.445 23 HZ2 LYS 2 HZ2 LYS 2 189.674 -1.909 13.646 24 HZ3 LYS 2 HZ3 LYS 2 188.793 -0.522 14.048 25 HA PRO 3 HA PRO 3 198.014 0.685 9.801 26 HB2 PRO 3 HB2 PRO 3 198.436 2.440 7.834 27 HB3 PRO 3 HB1 PRO 3 197.364 1.052 7.608 28 HG2 PRO 3 HG2 PRO 3 196.679 3.911 8.135 29 HG3 PRO 3 HG1 PRO 3 195.892 2.750 7.052 30 HD2 PRO 3 HD2 PRO 3 195.007 3.416 9.594 31 HD3 PRO 3 HD1 PRO 3 194.568 1.939 8.717 32 H LYS 4 HN LYS 4 199.438 1.261 11.332 33 HA LYS 4 HA LYS 4 199.650 3.819 12.493 34 HB2 LYS 4 HB2 LYS 4 200.454 1.597 13.444 35 HB3 LYS 4 HB1 LYS 4 201.857 1.766 12.399 36 HG2 LYS 4 HG2 LYS 4 202.640 2.626 14.377 37 HG3 LYS 4 HG1 LYS 4 202.099 4.087 13.547 38 HD2 LYS 4 HD2 LYS 4 201.199 4.352 15.667 39 HD3 LYS 4 HD1 LYS 4 199.853 3.647 14.768 40 HE2 LYS 4 HE2 LYS 4 200.108 1.568 15.773 41 HE3 LYS 4 HE1 LYS 4 201.775 1.892 16.246 42 HZ1 LYS 4 HZ1 LYS 4 201.127 3.078 18.065 43 HZ2 LYS 4 HZ2 LYS 4 199.842 1.981 17.982 44 HZ3 LYS 4 HZ3 LYS 4 199.649 3.554 17.391 45 H PHE 5 HN PHE 5 200.376 5.618 11.585 46 HA PHE 5 HA PHE 5 202.213 5.445 9.320 47 HB2 PHE 5 HB2 PHE 5 201.676 8.039 9.339 48 HB3 PHE 5 HB1 PHE 5 200.556 6.878 8.639 49 HD1 PHE 5 HD2 PHE 5 198.541 6.191 9.910 50 HD2 PHE 5 HD1 PHE 5 201.098 9.322 11.240 51 HE1 PHE 5 HE2 PHE 5 196.767 6.995 11.409 52 HE2 PHE 5 HE1 PHE 5 199.328 10.132 12.744 53 HZ PHE 5 HZ PHE 5 197.158 8.969 12.830 54 H PHE 6 HN PHE 6 203.768 7.504 9.239 55 HA PHE 6 HA PHE 6 204.787 8.269 11.835 56 HB2 PHE 6 HB2 PHE 6 207.066 7.141 10.491 57 HB3 PHE 6 HB1 PHE 6 206.479 6.852 12.117 58 HD1 PHE 6 HD2 PHE 6 204.915 4.986 12.546 59 HD2 PHE 6 HD1 PHE 6 206.677 5.618 8.726 60 HE1 PHE 6 HE2 PHE 6 204.331 2.685 11.901 61 HE2 PHE 6 HE1 PHE 6 206.101 3.319 8.073 62 HZ PHE 6 HZ PHE 6 204.925 1.847 9.662 63 H TYR 7 HN TYR 7 207.024 9.358 11.531 64 HA TYR 7 HA TYR 7 206.824 11.042 9.137 65 HB2 TYR 7 HB2 TYR 7 207.263 11.657 11.977 66 HB3 TYR 7 HB1 TYR 7 208.385 12.471 10.892 67 HD1 TYR 7 HD1 TYR 7 206.765 13.088 8.565 68 HD2 TYR 7 HD2 TYR 7 205.724 13.228 12.688 69 HE1 TYR 7 HE1 TYR 7 205.059 14.789 8.071 70 HE2 TYR 7 HE2 TYR 7 204.015 14.927 12.205 71 HH TYR 7 HH TYR 7 202.691 15.732 10.354 72 H ILE 8 HN ILE 8 208.450 10.910 7.725 73 HA ILE 8 HA ILE 8 210.947 9.644 8.621 74 HB ILE 8 HB ILE 8 210.899 9.904 5.778 75 HG12 ILE 8 HG12 ILE 8 208.423 10.018 6.028 76 HG13 ILE 8 HG11 ILE 8 208.958 8.575 5.176 77 HG21 ILE 8 HG21 ILE 8 212.148 8.257 7.096 78 HG22 ILE 8 HG22 ILE 8 211.157 7.491 5.855 79 HG23 ILE 8 HG23 ILE 8 210.632 7.471 7.538 80 HD11 ILE 8 HD11 ILE 8 207.599 7.488 6.561 81 HD12 ILE 8 HD12 ILE 8 207.513 8.841 7.689 82 HD13 ILE 8 HD13 ILE 8 208.867 7.715 7.765 83 H LYS 9 HN LYS 9 212.406 11.109 9.172 84 HA LYS 9 HA LYS 9 212.572 13.605 7.643 85 HB2 LYS 9 HB2 LYS 9 212.229 13.808 10.059 86 HB3 LYS 9 HB1 LYS 9 213.695 12.883 10.349 87 HG2 LYS 9 HG2 LYS 9 214.700 14.860 10.493 88 HG3 LYS 9 HG1 LYS 9 214.595 14.888 8.732 89 HD2 LYS 9 HD2 LYS 9 213.249 16.644 8.812 90 HD3 LYS 9 HD1 LYS 9 212.108 15.752 9.817 91 HE2 LYS 9 HE2 LYS 9 213.061 17.947 10.740 92 HE3 LYS 9 HE1 LYS 9 213.055 16.538 11.799 93 HZ1 LYS 9 HZ1 LYS 9 215.452 16.831 10.217 94 HZ2 LYS 9 HZ2 LYS 9 215.276 16.483 11.863 95 HZ3 LYS 9 HZ3 LYS 9 215.199 18.085 11.324 96 H SER 10 HN SER 10 214.345 14.172 6.515 97 HA SER 10 HA SER 10 216.383 12.208 6.033 98 HB2 SER 10 HB2 SER 10 215.862 13.464 4.119 99 HB3 SER 10 HB1 SER 10 215.830 14.985 5.011 100 HG SER 10 HG SER 10 218.202 13.478 4.725 101 H GLU 11 HN GLU 11 217.857 11.877 7.559 102 HA GLU 11 HA GLU 11 218.594 13.713 9.545 103 HB2 GLU 11 HB2 GLU 11 218.835 11.330 9.894 104 HB3 GLU 11 HB1 GLU 11 219.994 11.221 8.579 105 HG2 GLU 11 HG2 GLU 11 221.696 11.834 9.876 106 HG3 GLU 11 HG1 GLU 11 220.773 13.136 10.626 107 H LEU 12 HN LEU 12 219.471 13.627 6.305 108 HA LEU 12 HA LEU 12 222.128 14.711 6.665 109 HB2 LEU 12 HB2 LEU 12 221.614 13.294 4.735 110 HB3 LEU 12 HB1 LEU 12 220.416 14.453 4.191 111 HG LEU 12 HG LEU 12 222.256 16.133 3.935 112 HD11 LEU 12 HD11 LEU 12 223.873 15.161 5.458 113 HD12 LEU 12 HD12 LEU 12 224.558 15.289 3.838 114 HD13 LEU 12 HD13 LEU 12 224.001 13.727 4.440 115 HD21 LEU 12 HD21 LEU 12 223.303 14.849 1.940 116 HD22 LEU 12 HD22 LEU 12 221.578 15.212 1.925 117 HD23 LEU 12 HD23 LEU 12 222.135 13.596 2.357 118 H ASN 13 HN ASN 13 219.198 15.946 5.045 119 HA ASN 13 HA ASN 13 220.134 18.665 5.278 120 HB2 ASN 13 HB2 ASN 13 217.425 17.832 4.284 121 HB3 ASN 13 HB1 ASN 13 218.395 19.213 3.797 122 HD21 ASN 13 HD21 ASN 13 217.194 16.556 2.612 123 HD22 ASN 13 HD22 ASN 13 218.449 16.043 1.542 124 H GLY 14 HN GLY 14 218.326 16.600 7.259 125 HA2 GLY 14 HA2 GLY 14 217.238 17.051 9.250 126 HA3 GLY 14 HA1 GLY 14 217.616 18.755 9.019 127 H LYS 15 HN LYS 15 216.221 17.602 6.241 128 HA LYS 15 HA LYS 15 213.682 18.875 6.845 129 HB2 LYS 15 HB2 LYS 15 214.628 17.727 4.217 130 HB3 LYS 15 HB1 LYS 15 213.360 18.909 4.469 131 HG2 LYS 15 HG2 LYS 15 216.306 19.333 4.893 132 HG3 LYS 15 HG1 LYS 15 215.327 19.976 3.574 133 HD2 LYS 15 HD2 LYS 15 214.495 20.583 6.364 134 HD3 LYS 15 HD1 LYS 15 215.906 21.420 5.717 135 HE2 LYS 15 HE2 LYS 15 213.999 21.553 3.690 136 HE3 LYS 15 HE1 LYS 15 213.099 21.843 5.179 137 HZ1 LYS 15 HZ1 LYS 15 214.288 23.783 3.909 138 HZ2 LYS 15 HZ2 LYS 15 215.632 23.262 4.794 139 HZ3 LYS 15 HZ3 LYS 15 214.230 23.758 5.600 140 H VAL 16 HN VAL 16 211.831 17.645 5.398 141 HA VAL 16 HA VAL 16 211.903 14.831 6.272 142 HB VAL 16 HB VAL 16 209.347 15.068 6.334 143 HG11 VAL 16 HG11 VAL 16 210.882 16.596 8.427 144 HG12 VAL 16 HG12 VAL 16 210.866 14.837 8.304 145 HG13 VAL 16 HG13 VAL 16 209.371 15.711 8.633 146 HG21 VAL 16 HG21 VAL 16 209.919 17.973 6.813 147 HG22 VAL 16 HG22 VAL 16 208.370 17.177 6.533 148 HG23 VAL 16 HG23 VAL 16 209.514 17.372 5.205 149 H LEU 17 HN LEU 17 211.215 13.296 4.844 150 HA LEU 17 HA LEU 17 211.224 13.998 2.076 151 HB2 LEU 17 HB2 LEU 17 210.226 11.354 3.074 152 HB3 LEU 17 HB1 LEU 17 211.149 11.711 1.627 153 HG LEU 17 HG LEU 17 212.179 11.621 4.461 154 HD11 LEU 17 HD11 LEU 17 212.257 9.816 2.124 155 HD12 LEU 17 HD12 LEU 17 212.262 9.446 3.848 156 HD13 LEU 17 HD13 LEU 17 213.747 9.972 3.055 157 HD21 LEU 17 HD21 LEU 17 213.395 12.698 1.950 158 HD22 LEU 17 HD22 LEU 17 214.414 11.959 3.186 159 HD23 LEU 17 HD23 LEU 17 213.423 13.363 3.583 160 H ASP 18 HN ASP 18 209.518 14.276 0.677 161 HA ASP 18 HA ASP 18 206.822 13.665 1.619 162 HB2 ASP 18 HB2 ASP 18 207.456 16.059 2.214 163 HB3 ASP 18 HB1 ASP 18 207.493 16.379 0.482 164 H ILE 19 HN ILE 19 205.210 13.745 -0.073 165 HA ILE 19 HA ILE 19 206.368 13.053 -2.675 166 HB ILE 19 HB ILE 19 203.533 12.616 -1.728 167 HG12 ILE 19 HG12 ILE 19 205.904 10.734 -1.735 168 HG13 ILE 19 HG11 ILE 19 205.076 11.363 -0.315 169 HG21 ILE 19 HG21 ILE 19 203.234 11.268 -3.629 170 HG22 ILE 19 HG22 ILE 19 204.964 11.214 -3.966 171 HG23 ILE 19 HG23 ILE 19 204.063 12.709 -4.217 172 HD11 ILE 19 HD11 ILE 19 203.262 9.982 -0.601 173 HD12 ILE 19 HD12 ILE 19 204.585 8.961 -1.163 174 HD13 ILE 19 HD13 ILE 19 203.549 9.783 -2.330 175 H GLU 20 HN GLU 20 205.954 14.195 -4.491 176 HA GLU 20 HA GLU 20 205.455 16.834 -4.554 177 HB2 GLU 20 HB2 GLU 20 204.943 14.691 -6.571 178 HB3 GLU 20 HB1 GLU 20 204.437 16.336 -6.929 179 HG2 GLU 20 HG2 GLU 20 207.233 15.707 -6.056 180 HG3 GLU 20 HG1 GLU 20 206.734 15.583 -7.742 181 H GLY 21 HN GLY 21 203.872 17.660 -3.261 182 HA2 GLY 21 HA2 GLY 21 201.755 18.144 -2.479 183 HA3 GLY 21 HA1 GLY 21 201.407 18.276 -4.195 184 H GLN 22 HN GLN 22 202.264 15.278 -2.564 185 HA GLN 22 HA GLN 22 201.103 13.363 -2.159 186 HB2 GLN 22 HB2 GLN 22 199.491 15.116 -1.104 187 HB3 GLN 22 HB1 GLN 22 198.501 14.815 -2.525 188 HG2 GLN 22 HG2 GLN 22 198.282 12.499 -1.957 189 HG3 GLN 22 HG1 GLN 22 199.434 12.670 -0.634 190 HE21 GLN 22 HE21 GLN 22 198.819 14.006 1.169 191 HE22 GLN 22 HE22 GLN 22 197.151 14.168 1.586 192 H ASN 23 HN ASN 23 199.001 15.138 -4.433 193 HA ASN 23 HA ASN 23 198.240 14.631 -6.513 194 HB2 ASN 23 HB2 ASN 23 200.806 14.445 -6.828 195 HB3 ASN 23 HB1 ASN 23 200.524 12.707 -6.851 196 HD21 ASN 23 HD21 ASN 23 200.978 12.297 -8.939 197 HD22 ASN 23 HD22 ASN 23 200.094 12.945 -10.274 198 HA PRO 24 HA PRO 24 195.991 10.958 -4.903 199 HB2 PRO 24 HB2 PRO 24 194.115 12.040 -6.949 200 HB3 PRO 24 HB1 PRO 24 193.791 11.499 -5.298 201 HG2 PRO 24 HG2 PRO 24 193.850 14.094 -5.885 202 HG3 PRO 24 HG1 PRO 24 194.525 13.491 -4.360 203 HD2 PRO 24 HD2 PRO 24 195.933 14.383 -6.837 204 HD3 PRO 24 HD1 PRO 24 196.399 14.588 -5.136 205 H ALA 25 HN ALA 25 196.904 11.954 -8.114 206 HA ALA 25 HA ALA 25 196.249 9.348 -9.244 207 HB1 ALA 25 HB1 ALA 25 196.065 11.799 -10.329 208 HB2 ALA 25 HB2 ALA 25 196.277 10.328 -11.279 209 HB3 ALA 25 HB3 ALA 25 197.671 11.337 -10.893 210 HA PRO 26 HA PRO 26 200.307 7.662 -8.721 211 HB2 PRO 26 HB2 PRO 26 199.953 6.346 -11.339 212 HB3 PRO 26 HB1 PRO 26 200.193 5.631 -9.745 213 HG2 PRO 26 HG2 PRO 26 197.821 5.521 -10.983 214 HG3 PRO 26 HG1 PRO 26 197.945 5.704 -9.224 215 HD2 PRO 26 HD2 PRO 26 197.352 7.767 -11.309 216 HD3 PRO 26 HD1 PRO 26 196.636 7.552 -9.697 217 H GLY 27 HN GLY 27 202.451 7.778 -9.570 218 HA2 GLY 27 HA2 GLY 27 203.992 8.344 -11.309 219 HA3 GLY 27 HA1 GLY 27 202.756 9.366 -12.025 220 H SER 28 HN SER 28 202.706 9.869 -8.731 221 HA SER 28 HA SER 28 203.853 12.470 -9.009 222 HB2 SER 28 HB2 SER 28 201.962 11.447 -7.372 223 HB3 SER 28 HB1 SER 28 203.353 11.409 -6.289 224 HG SER 28 HG SER 28 202.554 13.698 -7.760 225 H LYS 29 HN LYS 29 205.841 13.138 -8.574 226 HA LYS 29 HA LYS 29 207.862 11.213 -7.839 227 HB2 LYS 29 HB2 LYS 29 207.809 13.965 -8.918 228 HB3 LYS 29 HB1 LYS 29 209.193 13.577 -7.905 229 HG2 LYS 29 HG2 LYS 29 209.790 13.144 -10.165 230 HG3 LYS 29 HG1 LYS 29 209.606 11.590 -9.350 231 HD2 LYS 29 HD2 LYS 29 208.528 11.331 -11.427 232 HD3 LYS 29 HD1 LYS 29 207.228 11.573 -10.259 233 HE2 LYS 29 HE2 LYS 29 207.155 13.960 -10.883 234 HE3 LYS 29 HE1 LYS 29 208.398 13.660 -12.096 235 HZ1 LYS 29 HZ1 LYS 29 205.802 12.232 -12.076 236 HZ2 LYS 29 HZ2 LYS 29 206.939 12.301 -13.326 237 HZ3 LYS 29 HZ3 LYS 29 206.044 13.678 -12.921 238 H ILE 30 HN ILE 30 209.468 11.695 -6.125 239 HA ILE 30 HA ILE 30 208.192 13.083 -3.848 240 HB ILE 30 HB ILE 30 209.207 11.460 -2.320 241 HG12 ILE 30 HG12 ILE 30 209.943 9.907 -4.810 242 HG13 ILE 30 HG11 ILE 30 211.091 10.814 -3.829 243 HG21 ILE 30 HG21 ILE 30 207.680 9.852 -4.321 244 HG22 ILE 30 HG22 ILE 30 206.908 11.215 -3.513 245 HG23 ILE 30 HG23 ILE 30 207.548 9.874 -2.562 246 HD11 ILE 30 HD11 ILE 30 211.208 9.209 -2.284 247 HD12 ILE 30 HD12 ILE 30 210.503 8.179 -3.528 248 HD13 ILE 30 HD13 ILE 30 209.468 8.922 -2.311 249 H ILE 31 HN ILE 31 209.544 14.139 -2.348 250 HA ILE 31 HA ILE 31 212.390 14.316 -2.821 251 HB ILE 31 HB ILE 31 212.509 16.655 -3.283 252 HG12 ILE 31 HG12 ILE 31 210.373 17.161 -1.951 253 HG13 ILE 31 HG11 ILE 31 210.682 18.136 -3.381 254 HG21 ILE 31 HG21 ILE 31 211.626 16.744 -5.514 255 HG22 ILE 31 HG22 ILE 31 210.465 15.467 -5.150 256 HG23 ILE 31 HG23 ILE 31 212.190 15.105 -5.188 257 HD11 ILE 31 HD11 ILE 31 208.364 17.551 -3.292 258 HD12 ILE 31 HD12 ILE 31 208.761 15.839 -3.146 259 HD13 ILE 31 HD13 ILE 31 209.119 16.703 -4.641 260 H THR 32 HN THR 32 213.199 16.312 -1.363 261 HA THR 32 HA THR 32 211.980 15.800 1.265 262 HB THR 32 HB THR 32 214.028 16.250 2.260 263 HG1 THR 32 HG1 THR 32 214.587 18.202 1.459 264 HG21 THR 32 HG21 THR 32 215.561 15.466 -0.043 265 HG22 THR 32 HG22 THR 32 214.096 14.495 0.111 266 HG23 THR 32 HG23 THR 32 215.238 14.588 1.452 267 H TRP 33 HN TRP 33 211.444 17.521 2.687 268 HA TRP 33 HA TRP 33 211.674 20.250 1.769 269 HB2 TRP 33 HB2 TRP 33 209.636 19.218 0.611 270 HB3 TRP 33 HB1 TRP 33 208.894 19.167 2.206 271 HD1 TRP 33 HD1 TRP 33 207.346 21.153 2.585 272 HE1 TRP 33 HE1 TRP 33 207.278 23.619 1.852 273 HE3 TRP 33 HE3 TRP 33 211.621 21.287 -0.216 274 HZ2 TRP 33 HZ2 TRP 33 208.830 25.385 0.295 275 HZ3 TRP 33 HZ3 TRP 33 212.257 23.404 -1.295 276 HH2 TRP 33 HH2 TRP 33 210.889 25.411 -1.045 277 H ASP 34 HN ASP 34 210.449 21.748 3.354 278 HA ASP 34 HA ASP 34 211.347 21.113 5.988 279 HB2 ASP 34 HB2 ASP 34 209.509 23.395 5.277 280 HB3 ASP 34 HB1 ASP 34 210.684 23.310 6.585 281 H GLN 35 HN GLN 35 210.189 20.566 7.796 282 HA GLN 35 HA GLN 35 207.858 19.063 7.516 283 HB2 GLN 35 HB2 GLN 35 208.944 20.420 9.990 284 HB3 GLN 35 HB1 GLN 35 207.718 19.160 9.985 285 HG2 GLN 35 HG2 GLN 35 209.211 17.509 9.473 286 HG3 GLN 35 HG1 GLN 35 210.322 18.613 8.663 287 HE21 GLN 35 HE21 GLN 35 210.302 16.608 11.072 288 HE22 GLN 35 HE22 GLN 35 211.242 17.448 12.253 289 H LYS 36 HN LYS 36 205.705 19.453 8.288 290 HA LYS 36 HA LYS 36 204.945 22.274 8.539 291 HB2 LYS 36 HB2 LYS 36 203.973 20.308 6.501 292 HB3 LYS 36 HB1 LYS 36 202.878 21.550 7.093 293 HG2 LYS 36 HG2 LYS 36 203.716 22.723 5.372 294 HG3 LYS 36 HG1 LYS 36 205.023 23.062 6.508 295 HD2 LYS 36 HD2 LYS 36 206.281 22.319 4.768 296 HD3 LYS 36 HD1 LYS 36 205.930 20.758 5.514 297 HE2 LYS 36 HE2 LYS 36 205.510 20.522 3.189 298 HE3 LYS 36 HE1 LYS 36 203.941 20.592 3.990 299 HZ1 LYS 36 HZ1 LYS 36 203.592 22.060 2.312 300 HZ2 LYS 36 HZ2 LYS 36 205.211 22.539 2.217 301 HZ3 LYS 36 HZ3 LYS 36 204.225 23.137 3.454 302 H LYS 37 HN LYS 37 202.501 22.387 9.110 303 HA LYS 37 HA LYS 37 201.744 20.157 10.862 304 HB2 LYS 37 HB2 LYS 37 201.907 23.070 11.637 305 HB3 LYS 37 HB1 LYS 37 201.004 21.880 12.563 306 HG2 LYS 37 HG2 LYS 37 203.754 21.080 11.999 307 HG3 LYS 37 HG1 LYS 37 203.619 22.553 12.960 308 HD2 LYS 37 HD2 LYS 37 202.106 21.353 14.510 309 HD3 LYS 37 HD1 LYS 37 202.364 19.878 13.575 310 HE2 LYS 37 HE2 LYS 37 203.910 19.619 15.260 311 HE3 LYS 37 HE1 LYS 37 204.887 20.389 14.011 312 HZ1 LYS 37 HZ1 LYS 37 204.776 21.251 16.517 313 HZ2 LYS 37 HZ2 LYS 37 203.529 22.180 15.852 314 HZ3 LYS 37 HZ3 LYS 37 205.088 22.271 15.204 315 H GLY 38 HN GLY 38 199.805 19.476 10.248 316 HA2 GLY 38 HA2 GLY 38 197.439 20.756 10.328 317 HA3 GLY 38 HA1 GLY 38 198.040 21.211 8.741 318 HA PRO 39 HA PRO 39 195.801 17.152 8.357 319 HB2 PRO 39 HB2 PRO 39 194.162 18.398 6.323 320 HB3 PRO 39 HB1 PRO 39 193.668 17.714 7.871 321 HG2 PRO 39 HG2 PRO 39 193.575 20.383 7.300 322 HG3 PRO 39 HG1 PRO 39 193.762 19.734 8.939 323 HD2 PRO 39 HD2 PRO 39 195.842 20.835 7.085 324 HD3 PRO 39 HD1 PRO 39 195.661 21.062 8.839 325 H THR 40 HN THR 40 197.876 18.973 6.566 326 HA THR 40 HA THR 40 197.746 17.146 4.262 327 HB THR 40 HB THR 40 197.377 19.501 3.665 328 HG1 THR 40 HG1 THR 40 199.869 18.446 2.827 329 HG21 THR 40 HG21 THR 40 198.515 20.801 5.226 330 HG22 THR 40 HG22 THR 40 199.434 21.000 3.734 331 HG23 THR 40 HG23 THR 40 200.025 19.919 4.996 332 H ALA 41 HN ALA 41 199.188 17.063 7.001 333 HA ALA 41 HA ALA 41 201.977 17.097 6.296 334 HB1 ALA 41 HB1 ALA 41 200.498 17.131 8.682 335 HB2 ALA 41 HB2 ALA 41 202.249 17.218 8.495 336 HB3 ALA 41 HB3 ALA 41 201.463 15.656 8.721 337 H VAL 42 HN VAL 42 199.416 14.830 6.138 338 HA VAL 42 HA VAL 42 200.578 12.345 6.469 339 HB VAL 42 HB VAL 42 198.461 13.349 4.573 340 HG11 VAL 42 HG11 VAL 42 198.023 10.709 4.493 341 HG12 VAL 42 HG12 VAL 42 199.785 10.713 4.563 342 HG13 VAL 42 HG13 VAL 42 198.952 11.574 3.269 343 HG21 VAL 42 HG21 VAL 42 197.264 13.171 6.439 344 HG22 VAL 42 HG22 VAL 42 198.559 12.317 7.276 345 HG23 VAL 42 HG23 VAL 42 197.420 11.423 6.270 346 H ASN 43 HN ASN 43 201.103 14.670 3.925 347 HA ASN 43 HA ASN 43 202.146 12.925 1.978 348 HB2 ASN 43 HB2 ASN 43 202.551 15.876 2.455 349 HB3 ASN 43 HB1 ASN 43 203.232 15.027 1.071 350 HD21 ASN 43 HD21 ASN 43 201.350 17.180 1.033 351 HD22 ASN 43 HD22 ASN 43 199.917 16.589 0.270 352 H GLN 44 HN GLN 44 203.396 13.762 4.982 353 HA GLN 44 HA GLN 44 206.118 13.035 4.122 354 HB2 GLN 44 HB2 GLN 44 205.121 15.043 6.092 355 HB3 GLN 44 HB1 GLN 44 206.623 14.208 6.449 356 HG2 GLN 44 HG2 GLN 44 207.731 15.573 5.115 357 HG3 GLN 44 HG1 GLN 44 206.719 15.093 3.754 358 HE21 GLN 44 HE21 GLN 44 207.783 17.642 4.023 359 HE22 GLN 44 HE22 GLN 44 206.493 18.764 4.274 360 H LEU 45 HN LEU 45 203.472 11.797 5.388 361 HA LEU 45 HA LEU 45 204.885 10.226 7.420 362 HB2 LEU 45 HB2 LEU 45 201.978 10.902 7.188 363 HB3 LEU 45 HB1 LEU 45 202.610 9.781 8.328 364 HG LEU 45 HG LEU 45 204.112 12.117 8.693 365 HD11 LEU 45 HD11 LEU 45 202.732 13.894 8.635 366 HD12 LEU 45 HD12 LEU 45 201.310 12.943 9.068 367 HD13 LEU 45 HD13 LEU 45 201.911 12.930 7.415 368 HD21 LEU 45 HD21 LEU 45 201.822 11.506 10.470 369 HD22 LEU 45 HD22 LEU 45 203.512 11.821 10.864 370 HD23 LEU 45 HD23 LEU 45 203.031 10.244 10.238 371 H TRP 46 HN TRP 46 204.830 8.047 7.346 372 HA TRP 46 HA TRP 46 203.254 6.791 5.219 373 HB2 TRP 46 HB2 TRP 46 206.162 6.299 5.846 374 HB3 TRP 46 HB1 TRP 46 205.197 5.369 4.710 375 HD1 TRP 46 HD1 TRP 46 206.009 9.147 5.190 376 HE1 TRP 46 HE1 TRP 46 206.459 10.150 2.859 377 HE3 TRP 46 HE3 TRP 46 205.234 4.973 2.341 378 HZ2 TRP 46 HZ2 TRP 46 206.473 9.286 0.170 379 HZ3 TRP 46 HZ3 TRP 46 205.476 5.146 -0.097 380 HH2 TRP 46 HH2 TRP 46 206.084 7.258 -1.162 381 H TYR 47 HN TYR 47 203.243 4.368 5.477 382 HA TYR 47 HA TYR 47 203.518 3.533 8.254 383 HB2 TYR 47 HB2 TYR 47 201.286 2.488 8.259 384 HB3 TYR 47 HB1 TYR 47 201.202 4.236 8.095 385 HD1 TYR 47 HD2 TYR 47 201.283 1.179 5.943 386 HD2 TYR 47 HD1 TYR 47 199.758 5.105 6.540 387 HE1 TYR 47 HE2 TYR 47 199.845 0.916 3.963 388 HE2 TYR 47 HE1 TYR 47 198.314 4.852 4.566 389 HH TYR 47 HH TYR 47 198.563 3.206 2.302 390 H THR 48 HN THR 48 203.326 1.103 8.458 391 HA THR 48 HA THR 48 204.466 -0.133 6.043 392 HB THR 48 HB THR 48 205.520 -1.755 7.565 393 HG1 THR 48 HG1 THR 48 204.132 -1.771 9.288 394 HG21 THR 48 HG21 THR 48 207.117 -0.191 7.304 395 HG22 THR 48 HG22 THR 48 206.791 0.088 9.015 396 HG23 THR 48 HG23 THR 48 206.060 1.132 7.796 397 H ASP 49 HN ASP 49 203.589 -1.927 5.164 398 HA ASP 49 HA ASP 49 200.937 -2.638 6.013 399 HB2 ASP 49 HB2 ASP 49 202.705 -3.340 3.722 400 HB3 ASP 49 HB1 ASP 49 201.397 -4.451 4.112 401 H GLN 50 HN GLN 50 200.379 -5.079 5.996 402 HA GLN 50 HA GLN 50 201.543 -6.237 8.278 403 HB2 GLN 50 HB2 GLN 50 199.408 -6.870 6.419 404 HB3 GLN 50 HB1 GLN 50 200.282 -8.317 6.905 405 HG2 GLN 50 HG2 GLN 50 199.519 -8.232 9.017 406 HG3 GLN 50 HG1 GLN 50 199.571 -6.471 9.082 407 HE21 GLN 50 HE21 GLN 50 197.473 -7.481 10.236 408 HE22 GLN 50 HE22 GLN 50 196.048 -7.349 9.267 409 H GLN 51 HN GLN 51 202.452 -6.344 4.964 410 HA GLN 51 HA GLN 51 204.172 -8.676 5.416 411 HB2 GLN 51 HB2 GLN 51 202.623 -8.463 3.376 412 HB3 GLN 51 HB1 GLN 51 203.776 -7.275 2.783 413 HG2 GLN 51 HG2 GLN 51 205.517 -9.163 3.233 414 HG3 GLN 51 HG1 GLN 51 204.103 -10.212 3.154 415 HE21 GLN 51 HE21 GLN 51 206.128 -7.988 1.394 416 HE22 GLN 51 HE22 GLN 51 205.599 -8.444 -0.186 417 H GLY 52 HN GLY 52 204.348 -5.401 5.729 418 HA2 GLY 52 HA2 GLY 52 206.389 -4.367 6.410 419 HA3 GLY 52 HA1 GLY 52 207.260 -5.469 5.357 420 H VAL 53 HN VAL 53 204.618 -4.417 3.648 421 HA VAL 53 HA VAL 53 206.249 -2.670 2.039 422 HB VAL 53 HB VAL 53 203.314 -3.292 1.697 423 HG11 VAL 53 HG11 VAL 53 204.762 -1.403 0.441 424 HG12 VAL 53 HG12 VAL 53 203.419 -2.267 -0.308 425 HG13 VAL 53 HG13 VAL 53 205.077 -2.785 -0.608 426 HG21 VAL 53 HG21 VAL 53 204.281 -4.936 -0.050 427 HG22 VAL 53 HG22 VAL 53 204.260 -5.413 1.647 428 HG23 VAL 53 HG23 VAL 53 205.756 -4.838 0.912 429 H ILE 54 HN ILE 54 206.492 -0.598 2.541 430 HA ILE 54 HA ILE 54 204.673 0.748 4.283 431 HB ILE 54 HB ILE 54 206.141 2.789 3.618 432 HG12 ILE 54 HG12 ILE 54 208.341 0.913 3.116 433 HG13 ILE 54 HG11 ILE 54 207.176 1.018 1.800 434 HG21 ILE 54 HG21 ILE 54 207.269 2.442 5.533 435 HG22 ILE 54 HG22 ILE 54 207.780 0.819 5.067 436 HG23 ILE 54 HG23 ILE 54 206.149 1.088 5.683 437 HD11 ILE 54 HD11 ILE 54 208.237 3.528 2.988 438 HD12 ILE 54 HD12 ILE 54 207.686 3.199 1.346 439 HD13 ILE 54 HD13 ILE 54 209.252 2.596 1.888 440 H ARG 55 HN ARG 55 203.423 2.532 3.858 441 HA ARG 55 HA ARG 55 203.083 3.511 1.168 442 HB2 ARG 55 HB2 ARG 55 200.487 2.688 2.292 443 HB3 ARG 55 HB1 ARG 55 201.055 2.654 0.635 444 HG2 ARG 55 HG2 ARG 55 202.119 0.653 2.571 445 HG3 ARG 55 HG1 ARG 55 200.503 0.446 1.899 446 HD2 ARG 55 HD2 ARG 55 202.626 1.108 -0.035 447 HD3 ARG 55 HD1 ARG 55 202.746 -0.478 0.723 448 HE ARG 55 HE ARG 55 200.729 0.422 -1.147 449 HH11 ARG 55 HH11 ARG 55 201.639 -1.977 1.221 450 HH12 ARG 55 HH12 ARG 55 200.533 -3.167 0.622 451 HH21 ARG 55 HH21 ARG 55 199.274 -1.143 -1.933 452 HH22 ARG 55 HH22 ARG 55 199.192 -2.694 -1.168 453 H SER 56 HN SER 56 202.456 5.606 1.201 454 HA SER 56 HA SER 56 202.555 7.103 3.509 455 HB2 SER 56 HB2 SER 56 201.519 7.608 0.768 456 HB3 SER 56 HB1 SER 56 201.074 8.759 2.028 457 HG SER 56 HG SER 56 203.025 9.518 1.959 458 H LYS 57 HN LYS 57 201.038 8.259 4.706 459 HA LYS 57 HA LYS 57 198.912 6.726 5.670 460 HB2 LYS 57 HB2 LYS 57 200.260 8.698 6.731 461 HB3 LYS 57 HB1 LYS 57 198.972 9.684 6.051 462 HG2 LYS 57 HG2 LYS 57 197.411 7.984 7.211 463 HG3 LYS 57 HG1 LYS 57 198.840 7.613 8.174 464 HD2 LYS 57 HD2 LYS 57 198.535 9.439 9.416 465 HD3 LYS 57 HD1 LYS 57 198.519 10.457 7.975 466 HE2 LYS 57 HE2 LYS 57 196.093 9.667 7.691 467 HE3 LYS 57 HE1 LYS 57 196.216 9.124 9.364 468 HZ1 LYS 57 HZ1 LYS 57 196.974 11.481 9.853 469 HZ2 LYS 57 HZ2 LYS 57 195.338 11.268 9.481 470 HZ3 LYS 57 HZ3 LYS 57 196.397 11.883 8.314 471 H LEU 58 HN LEU 58 199.059 9.005 3.070 472 HA LEU 58 HA LEU 58 196.415 9.867 2.972 473 HB2 LEU 58 HB2 LEU 58 196.919 10.757 0.939 474 HB3 LEU 58 HB1 LEU 58 198.534 10.504 1.566 475 HG LEU 58 HG LEU 58 197.160 8.559 -0.288 476 HD11 LEU 58 HD11 LEU 58 199.148 10.713 -0.986 477 HD12 LEU 58 HD12 LEU 58 197.425 10.758 -1.360 478 HD13 LEU 58 HD13 LEU 58 198.453 9.523 -2.086 479 HD21 LEU 58 HD21 LEU 58 199.311 8.159 1.313 480 HD22 LEU 58 HD22 LEU 58 200.087 8.754 -0.154 481 HD23 LEU 58 HD23 LEU 58 199.043 7.335 -0.222 482 H ASN 59 HN ASN 59 197.864 6.885 1.797 483 HA ASN 59 HA ASN 59 195.624 5.316 1.997 484 HB2 ASN 59 HB2 ASN 59 195.408 7.080 -0.251 485 HB3 ASN 59 HB1 ASN 59 195.563 5.429 -0.844 486 HD21 ASN 59 HD21 ASN 59 193.815 4.197 -0.863 487 HD22 ASN 59 HD22 ASN 59 192.323 4.554 -0.068 488 H ASP 60 HN ASP 60 195.760 3.475 0.076 489 HA ASP 60 HA ASP 60 198.261 2.216 0.556 490 HB2 ASP 60 HB2 ASP 60 196.004 1.508 -1.330 491 HB3 ASP 60 HB1 ASP 60 197.396 0.474 -1.020 492 H PHE 61 HN PHE 61 199.797 3.713 -0.273 493 HA PHE 61 HA PHE 61 200.233 3.393 -3.142 494 HB2 PHE 61 HB2 PHE 61 199.609 5.922 -1.784 495 HB3 PHE 61 HB1 PHE 61 201.057 5.985 -2.784 496 HD1 PHE 61 HD2 PHE 61 197.511 4.853 -2.915 497 HD2 PHE 61 HD1 PHE 61 200.846 6.436 -5.031 498 HE1 PHE 61 HE2 PHE 61 196.109 5.116 -4.919 499 HE2 PHE 61 HE1 PHE 61 199.450 6.703 -7.039 500 HZ PHE 61 HZ PHE 61 197.078 6.043 -6.985 501 H ALA 62 HN ALA 62 202.147 2.471 -3.302 502 HA ALA 62 HA ALA 62 204.239 3.147 -1.348 503 HB1 ALA 62 HB1 ALA 62 203.347 0.700 -2.024 504 HB2 ALA 62 HB2 ALA 62 204.983 1.020 -1.448 505 HB3 ALA 62 HB3 ALA 62 204.669 0.876 -3.178 506 H ILE 63 HN ILE 63 206.363 3.579 -2.036 507 HA ILE 63 HA ILE 63 206.532 5.076 -4.487 508 HB ILE 63 HB ILE 63 209.037 4.395 -3.056 509 HG12 ILE 63 HG12 ILE 63 208.021 6.571 -1.603 510 HG13 ILE 63 HG11 ILE 63 206.730 5.375 -1.607 511 HG21 ILE 63 HG21 ILE 63 208.144 7.169 -3.619 512 HG22 ILE 63 HG22 ILE 63 208.484 6.117 -4.992 513 HG23 ILE 63 HG23 ILE 63 209.735 6.430 -3.791 514 HD11 ILE 63 HD11 ILE 63 209.560 4.990 -0.669 515 HD12 ILE 63 HD12 ILE 63 208.368 3.697 -0.797 516 HD13 ILE 63 HD13 ILE 63 208.101 5.035 0.320 517 H ASP 64 HN ASP 64 208.067 4.681 -6.195 518 HA ASP 64 HA ASP 64 209.009 1.909 -6.347 519 HB2 ASP 64 HB2 ASP 64 208.224 1.637 -8.594 520 HB3 ASP 64 HB1 ASP 64 206.875 2.143 -7.587 521 H ALA 65 HN ALA 65 210.969 1.616 -7.124 522 HA ALA 65 HA ALA 65 212.453 3.989 -8.033 523 HB1 ALA 65 HB1 ALA 65 213.675 3.130 -6.301 524 HB2 ALA 65 HB2 ALA 65 214.431 2.302 -7.663 525 HB3 ALA 65 HB3 ALA 65 213.237 1.464 -6.674 526 H SER 66 HN SER 66 210.724 2.801 -9.895 527 HA SER 66 HA SER 66 212.141 1.004 -11.605 528 HB2 SER 66 HB2 SER 66 210.283 1.521 -13.224 529 HB3 SER 66 HB1 SER 66 209.743 0.937 -11.650 530 HG SER 66 HG SER 66 209.849 3.652 -12.477 531 H HIS 67 HN HIS 67 211.478 4.481 -11.689 532 HA HIS 67 HA HIS 67 213.201 4.759 -14.037 533 HB2 HIS 67 HB2 HIS 67 211.270 6.634 -12.678 534 HB3 HIS 67 HB1 HIS 67 212.353 7.148 -13.961 535 HD1 HIS 67 HD1 HIS 67 210.961 3.762 -14.360 536 HD2 HIS 67 HD2 HIS 67 209.980 7.635 -15.502 537 HE1 HIS 67 HE1 HIS 67 209.221 3.513 -16.158 538 HE2 HIS 67 HE2 HIS 67 208.706 5.866 -16.894 539 H GLU 68 HN GLU 68 214.532 6.889 -13.997 540 HA GLU 68 HA GLU 68 216.663 6.648 -12.313 541 HB2 GLU 68 HB2 GLU 68 215.685 9.319 -13.321 542 HB3 GLU 68 HB1 GLU 68 217.343 8.846 -12.975 543 HG2 GLU 68 HG2 GLU 68 217.001 7.086 -14.816 544 HG3 GLU 68 HG1 GLU 68 215.603 8.056 -15.276 545 H GLN 69 HN GLN 69 213.866 8.780 -11.844 546 HA GLN 69 HA GLN 69 214.698 9.179 -9.057 547 HB2 GLN 69 HB2 GLN 69 212.441 10.797 -9.715 548 HB3 GLN 69 HB1 GLN 69 214.073 11.307 -9.322 549 HG2 GLN 69 HG2 GLN 69 214.718 11.296 -11.609 550 HG3 GLN 69 HG1 GLN 69 213.217 10.507 -12.088 551 HE21 GLN 69 HE21 GLN 69 211.972 11.848 -13.144 552 HE22 GLN 69 HE22 GLN 69 211.712 13.515 -12.772 553 H ILE 70 HN ILE 70 213.152 8.837 -7.375 554 HA ILE 70 HA ILE 70 211.374 6.665 -7.974 555 HB ILE 70 HB ILE 70 211.061 7.845 -5.308 556 HG12 ILE 70 HG12 ILE 70 213.574 6.318 -5.524 557 HG13 ILE 70 HG11 ILE 70 213.644 7.957 -6.151 558 HG21 ILE 70 HG21 ILE 70 210.135 5.688 -5.975 559 HG22 ILE 70 HG22 ILE 70 211.271 5.522 -4.635 560 HG23 ILE 70 HG23 ILE 70 211.764 5.081 -6.270 561 HD11 ILE 70 HD11 ILE 70 213.384 8.897 -4.117 562 HD12 ILE 70 HD12 ILE 70 214.142 7.384 -3.627 563 HD13 ILE 70 HD13 ILE 70 212.393 7.573 -3.510 564 H GLU 71 HN GLU 71 209.224 6.557 -7.799 565 HA GLU 71 HA GLU 71 207.704 9.036 -7.435 566 HB2 GLU 71 HB2 GLU 71 206.219 8.230 -9.366 567 HB3 GLU 71 HB1 GLU 71 207.765 8.957 -9.782 568 HG2 GLU 71 HG2 GLU 71 207.938 6.079 -9.428 569 HG3 GLU 71 HG1 GLU 71 206.797 6.550 -10.687 570 H THR 72 HN THR 72 205.428 8.648 -6.970 571 HA THR 72 HA THR 72 205.079 6.134 -5.510 572 HB THR 72 HB THR 72 203.181 7.370 -4.405 573 HG1 THR 72 HG1 THR 72 202.941 9.507 -4.778 574 HG21 THR 72 HG21 THR 72 204.634 7.840 -2.811 575 HG22 THR 72 HG22 THR 72 205.187 9.251 -3.712 576 HG23 THR 72 HG23 THR 72 205.954 7.684 -3.969 577 H GLN 73 HN GLN 73 203.370 4.778 -5.885 578 HA GLN 73 HA GLN 73 201.178 5.467 -7.578 579 HB2 GLN 73 HB2 GLN 73 202.263 3.202 -8.927 580 HB3 GLN 73 HB1 GLN 73 201.906 4.789 -9.583 581 HG2 GLN 73 HG2 GLN 73 204.157 5.538 -8.886 582 HG3 GLN 73 HG1 GLN 73 204.501 3.896 -8.349 583 HE21 GLN 73 HE21 GLN 73 203.140 2.583 -10.494 584 HE22 GLN 73 HE22 GLN 73 204.080 2.823 -11.921 585 HA PRO 74 HA PRO 74 199.131 2.181 -5.502 586 HB2 PRO 74 HB2 PRO 74 198.154 0.621 -7.593 587 HB3 PRO 74 HB1 PRO 74 197.345 2.023 -6.888 588 HG2 PRO 74 HG2 PRO 74 198.992 1.828 -9.361 589 HG3 PRO 74 HG1 PRO 74 197.550 2.807 -9.042 590 HD2 PRO 74 HD2 PRO 74 200.006 3.884 -9.072 591 HD3 PRO 74 HD1 PRO 74 198.758 4.451 -7.941 592 H PHE 75 HN PHE 75 199.703 0.253 -4.607 593 HA PHE 75 HA PHE 75 202.149 -0.925 -5.192 594 HB2 PHE 75 HB2 PHE 75 200.929 -1.128 -3.034 595 HB3 PHE 75 HB1 PHE 75 199.795 -2.229 -3.810 596 HD1 PHE 75 HD2 PHE 75 203.505 -1.861 -3.562 597 HD2 PHE 75 HD1 PHE 75 200.127 -4.440 -3.342 598 HE1 PHE 75 HE2 PHE 75 204.988 -3.751 -3.029 599 HE2 PHE 75 HE1 PHE 75 201.603 -6.335 -2.807 600 HZ PHE 75 HZ PHE 75 204.037 -5.992 -2.651 601 H ASP 76 HN ASP 76 202.792 -2.216 -6.772 602 HA ASP 76 HA ASP 76 200.759 -3.738 -8.261 603 HB2 ASP 76 HB2 ASP 76 201.882 -2.013 -9.604 604 HB3 ASP 76 HB1 ASP 76 203.445 -2.719 -9.210 605 HA PRO 77 HA PRO 77 202.773 -7.346 -6.607 606 HB2 PRO 77 HB2 PRO 77 201.590 -9.198 -8.212 607 HB3 PRO 77 HB1 PRO 77 200.777 -8.444 -6.836 608 HG2 PRO 77 HG2 PRO 77 200.588 -7.774 -9.747 609 HG3 PRO 77 HG1 PRO 77 199.295 -7.886 -8.538 610 HD2 PRO 77 HD2 PRO 77 200.324 -5.520 -9.331 611 HD3 PRO 77 HD1 PRO 77 199.748 -5.794 -7.674 612 H ASN 78 HN ASN 78 202.654 -6.774 -10.103 613 HA ASN 78 HA ASN 78 204.894 -8.555 -10.556 614 HB2 ASN 78 HB2 ASN 78 203.008 -7.020 -12.285 615 HB3 ASN 78 HB1 ASN 78 204.561 -7.502 -12.959 616 HD21 ASN 78 HD21 ASN 78 204.912 -9.595 -13.489 617 HD22 ASN 78 HD22 ASN 78 203.716 -10.836 -13.364 618 H ASN 79 HN ASN 79 204.686 -5.473 -9.422 619 HA ASN 79 HA ASN 79 207.056 -4.534 -10.877 620 HB2 ASN 79 HB2 ASN 79 204.863 -3.141 -10.488 621 HB3 ASN 79 HB1 ASN 79 205.574 -2.840 -8.905 622 HD21 ASN 79 HD21 ASN 79 205.557 -2.011 -12.190 623 HD22 ASN 79 HD22 ASN 79 206.868 -0.886 -12.160 624 HA PRO 80 HA PRO 80 209.128 -5.824 -7.054 625 HB2 PRO 80 HB2 PRO 80 211.594 -5.755 -8.563 626 HB3 PRO 80 HB1 PRO 80 210.739 -7.153 -7.910 627 HG2 PRO 80 HG2 PRO 80 210.972 -6.627 -10.583 628 HG3 PRO 80 HG1 PRO 80 209.641 -7.556 -9.872 629 HD2 PRO 80 HD2 PRO 80 209.708 -4.689 -10.736 630 HD3 PRO 80 HD1 PRO 80 208.419 -5.897 -10.927 631 H LYS 81 HN LYS 81 208.788 -2.928 -8.196 632 HA LYS 81 HA LYS 81 211.073 -1.786 -6.761 633 HB2 LYS 81 HB2 LYS 81 209.550 -0.763 -9.152 634 HB3 LYS 81 HB1 LYS 81 210.687 0.208 -8.241 635 HG2 LYS 81 HG2 LYS 81 212.003 -0.539 -9.959 636 HG3 LYS 81 HG1 LYS 81 212.329 -1.751 -8.718 637 HD2 LYS 81 HD2 LYS 81 210.731 -3.263 -9.734 638 HD3 LYS 81 HD1 LYS 81 210.303 -2.042 -10.934 639 HE2 LYS 81 HE2 LYS 81 212.566 -2.101 -11.826 640 HE3 LYS 81 HE1 LYS 81 213.035 -3.276 -10.597 641 HZ1 LYS 81 HZ1 LYS 81 210.815 -3.847 -12.454 642 HZ2 LYS 81 HZ2 LYS 81 211.780 -4.932 -11.588 643 HZ3 LYS 81 HZ3 LYS 81 212.419 -4.114 -12.923 644 H ARG 82 HN ARG 82 207.658 -2.052 -6.990 645 HA ARG 82 HA ARG 82 207.110 0.373 -5.493 646 HB2 ARG 82 HB2 ARG 82 205.451 -1.713 -6.833 647 HB3 ARG 82 HB1 ARG 82 204.719 -0.666 -5.625 648 HG2 ARG 82 HG2 ARG 82 205.314 1.292 -6.902 649 HG3 ARG 82 HG1 ARG 82 206.155 0.292 -8.089 650 HD2 ARG 82 HD2 ARG 82 203.551 -0.755 -7.814 651 HD3 ARG 82 HD1 ARG 82 203.390 0.995 -7.952 652 HE ARG 82 HE ARG 82 205.169 -0.063 -9.910 653 HH11 ARG 82 HH11 ARG 82 201.790 0.350 -9.142 654 HH12 ARG 82 HH12 ARG 82 201.282 0.325 -10.797 655 HH21 ARG 82 HH21 ARG 82 204.503 -0.094 -12.087 656 HH22 ARG 82 HH22 ARG 82 202.822 0.073 -12.469 657 H ALA 83 HN ALA 83 208.549 -2.034 -4.286 658 HA ALA 83 HA ALA 83 206.795 -2.233 -1.926 659 HB1 ALA 83 HB1 ALA 83 208.424 -4.559 -2.054 660 HB2 ALA 83 HB2 ALA 83 207.587 -4.373 -3.596 661 HB3 ALA 83 HB3 ALA 83 206.665 -4.437 -2.095 662 H TRP 84 HN TRP 84 207.831 -0.812 -0.641 663 HA TRP 84 HA TRP 84 210.717 -1.202 -0.253 664 HB2 TRP 84 HB2 TRP 84 208.992 1.220 0.281 665 HB3 TRP 84 HB1 TRP 84 210.725 1.119 0.599 666 HD1 TRP 84 HD1 TRP 84 208.282 0.920 -2.403 667 HE1 TRP 84 HE1 TRP 84 209.546 1.681 -4.507 668 HE3 TRP 84 HE3 TRP 84 212.912 1.582 -0.362 669 HZ2 TRP 84 HZ2 TRP 84 212.146 2.481 -5.200 670 HZ3 TRP 84 HZ3 TRP 84 214.732 2.355 -1.814 671 HH2 TRP 84 HH2 TRP 84 214.356 2.793 -4.187 672 H ILE 85 HN ILE 85 211.542 -1.725 1.634 673 HA ILE 85 HA ILE 85 209.707 -1.986 3.932 674 HB ILE 85 HB ILE 85 211.387 -3.697 4.761 675 HG12 ILE 85 HG12 ILE 85 212.235 -4.058 1.922 676 HG13 ILE 85 HG11 ILE 85 213.038 -2.814 2.876 677 HG21 ILE 85 HG21 ILE 85 209.818 -4.242 2.247 678 HG22 ILE 85 HG22 ILE 85 209.256 -4.397 3.912 679 HG23 ILE 85 HG23 ILE 85 210.492 -5.492 3.292 680 HD11 ILE 85 HD11 ILE 85 212.823 -5.403 4.216 681 HD12 ILE 85 HD12 ILE 85 214.198 -4.310 4.058 682 HD13 ILE 85 HD13 ILE 85 213.794 -5.415 2.744 683 H VAL 86 HN VAL 86 210.607 -1.531 6.060 684 HA VAL 86 HA VAL 86 212.729 0.488 5.902 685 HB VAL 86 HB VAL 86 210.854 0.022 8.217 686 HG11 VAL 86 HG11 VAL 86 211.684 1.940 9.136 687 HG12 VAL 86 HG12 VAL 86 212.112 2.637 7.574 688 HG13 VAL 86 HG13 VAL 86 213.121 1.377 8.284 689 HG21 VAL 86 HG21 VAL 86 209.617 0.546 6.118 690 HG22 VAL 86 HG22 VAL 86 210.527 2.053 6.012 691 HG23 VAL 86 HG23 VAL 86 209.443 1.771 7.375 692 H SER 87 HN SER 87 214.630 0.199 6.861 693 HA SER 87 HA SER 87 214.929 -2.052 8.739 694 HB2 SER 87 HB2 SER 87 215.943 -2.661 6.603 695 HB3 SER 87 HB1 SER 87 216.877 -1.165 6.595 696 HG SER 87 HG SER 87 217.368 -3.518 7.882 697 H GLY 88 HN GLY 88 214.881 -0.829 10.600 698 HA2 GLY 88 HA2 GLY 88 215.849 0.385 12.299 699 HA3 GLY 88 HA1 GLY 88 217.297 0.507 11.311 700 H ASN 89 HN ASN 89 217.716 2.345 10.223 701 HA ASN 89 HA ASN 89 215.711 4.494 10.406 702 HB2 ASN 89 HB2 ASN 89 217.523 6.069 10.743 703 HB3 ASN 89 HB1 ASN 89 217.651 4.787 11.942 704 HD21 ASN 89 HD21 ASN 89 218.841 5.698 8.720 705 HD22 ASN 89 HD22 ASN 89 220.417 5.025 8.925 706 H THR 90 HN THR 90 216.217 2.583 8.209 707 HA THR 90 HA THR 90 216.648 4.571 6.130 708 HB THR 90 HB THR 90 218.046 2.573 5.028 709 HG1 THR 90 HG1 THR 90 219.252 1.517 6.512 710 HG21 THR 90 HG21 THR 90 218.676 5.057 5.740 711 HG22 THR 90 HG22 THR 90 219.869 3.886 5.178 712 HG23 THR 90 HG23 THR 90 219.657 4.169 6.906 713 H ILE 91 HN ILE 91 215.711 4.131 4.188 714 HA ILE 91 HA ILE 91 213.698 2.001 4.206 715 HB ILE 91 HB ILE 91 213.987 4.090 2.057 716 HG12 ILE 91 HG12 ILE 91 213.930 5.289 4.200 717 HG13 ILE 91 HG11 ILE 91 212.427 5.520 3.312 718 HG21 ILE 91 HG21 ILE 91 212.460 2.392 1.471 719 HG22 ILE 91 HG22 ILE 91 211.471 3.743 2.024 720 HG23 ILE 91 HG23 ILE 91 211.750 2.362 3.085 721 HD11 ILE 91 HD11 ILE 91 212.322 5.062 5.834 722 HD12 ILE 91 HD12 ILE 91 212.661 3.388 5.394 723 HD13 ILE 91 HD13 ILE 91 211.218 4.189 4.772 724 H ALA 92 HN ALA 92 214.104 0.147 3.170 725 HA ALA 92 HA ALA 92 216.102 0.210 0.999 726 HB1 ALA 92 HB1 ALA 92 215.645 -2.277 2.582 727 HB2 ALA 92 HB2 ALA 92 216.619 -0.981 3.274 728 HB3 ALA 92 HB3 ALA 92 217.095 -1.722 1.746 729 H GLN 93 HN GLN 93 215.730 -0.897 -0.844 730 HA GLN 93 HA GLN 93 213.076 -1.420 -1.631 731 HB2 GLN 93 HB2 GLN 93 215.185 -0.786 -3.006 732 HB3 GLN 93 HB1 GLN 93 215.483 -2.517 -3.048 733 HG2 GLN 93 HG2 GLN 93 214.122 -2.700 -4.769 734 HG3 GLN 93 HG1 GLN 93 212.788 -2.126 -3.769 735 HE21 GLN 93 HE21 GLN 93 215.667 -0.366 -4.789 736 HE22 GLN 93 HE22 GLN 93 214.831 0.838 -5.701 737 H LEU 94 HN LEU 94 212.015 -3.341 -2.087 738 HA LEU 94 HA LEU 94 212.458 -5.488 -0.348 739 HB2 LEU 94 HB2 LEU 94 210.639 -6.582 -1.396 740 HB3 LEU 94 HB1 LEU 94 210.272 -4.872 -1.396 741 HG LEU 94 HG LEU 94 211.361 -6.323 -3.808 742 HD11 LEU 94 HD11 LEU 94 208.738 -5.705 -4.338 743 HD12 LEU 94 HD12 LEU 94 208.691 -6.333 -2.691 744 HD13 LEU 94 HD13 LEU 94 209.386 -7.305 -3.986 745 HD21 LEU 94 HD21 LEU 94 210.015 -3.645 -3.487 746 HD22 LEU 94 HD22 LEU 94 210.472 -4.377 -5.013 747 HD23 LEU 94 HD23 LEU 94 211.716 -3.916 -3.857 748 H SER 95 HN SER 95 212.910 -5.439 -3.907 749 HA SER 95 HA SER 95 214.151 -7.992 -3.926 750 HB2 SER 95 HB2 SER 95 214.555 -7.558 -6.296 751 HB3 SER 95 HB1 SER 95 212.910 -7.102 -5.854 752 HG SER 95 HG SER 95 213.352 -5.092 -6.301 753 H ASP 96 HN ASP 96 215.392 -5.038 -2.954 754 HA ASP 96 HA ASP 96 218.105 -6.074 -3.288 755 HB2 ASP 96 HB2 ASP 96 217.147 -3.337 -4.110 756 HB3 ASP 96 HB1 ASP 96 218.843 -3.677 -3.778 757 H ARG 97 HN ARG 97 218.183 -6.583 -1.101 758 HA ARG 97 HA ARG 97 217.479 -4.777 0.964 759 HB2 ARG 97 HB2 ARG 97 218.992 -7.346 0.796 760 HB3 ARG 97 HB1 ARG 97 219.166 -6.374 2.251 761 HG2 ARG 97 HG2 ARG 97 217.447 -7.846 2.764 762 HG3 ARG 97 HG1 ARG 97 216.604 -6.362 2.316 763 HD2 ARG 97 HD2 ARG 97 215.404 -7.726 0.991 764 HD3 ARG 97 HD1 ARG 97 216.789 -7.585 -0.091 765 HE ARG 97 HE ARG 97 217.023 -9.725 1.814 766 HH11 ARG 97 HH11 ARG 97 215.784 -8.804 -1.315 767 HH12 ARG 97 HH12 ARG 97 215.771 -10.424 -1.926 768 HH21 ARG 97 HH21 ARG 97 217.007 -11.857 1.013 769 HH22 ARG 97 HH22 ARG 97 216.464 -12.158 -0.604 770 H ASP 98 HN ASP 98 220.140 -4.988 -1.149 771 HA ASP 98 HA ASP 98 221.903 -3.446 0.600 772 HB2 ASP 98 HB2 ASP 98 222.260 -5.164 -1.752 773 HB3 ASP 98 HB1 ASP 98 223.216 -3.685 -1.810 774 H ILE 99 HN ILE 99 219.341 -2.617 -0.972 775 HA ILE 99 HA ILE 99 220.473 -0.133 -2.066 776 HB ILE 99 HB ILE 99 218.259 -1.862 -3.140 777 HG12 ILE 99 HG12 ILE 99 220.627 -2.082 -3.955 778 HG13 ILE 99 HG11 ILE 99 219.453 -1.700 -5.210 779 HG21 ILE 99 HG21 ILE 99 218.613 1.090 -3.540 780 HG22 ILE 99 HG22 ILE 99 217.160 0.208 -3.072 781 HG23 ILE 99 HG23 ILE 99 217.782 0.074 -4.717 782 HD11 ILE 99 HD11 ILE 99 220.260 0.432 -5.499 783 HD12 ILE 99 HD12 ILE 99 221.734 -0.465 -5.132 784 HD13 ILE 99 HD13 ILE 99 220.957 0.504 -3.880 785 H VAL 100 HN VAL 100 219.710 1.670 -1.122 786 HA VAL 100 HA VAL 100 217.089 1.631 0.158 787 HB VAL 100 HB VAL 100 217.999 2.688 2.212 788 HG11 VAL 100 HG11 VAL 100 218.133 -0.077 1.458 789 HG12 VAL 100 HG12 VAL 100 217.683 0.639 3.001 790 HG13 VAL 100 HG13 VAL 100 219.375 0.292 2.650 791 HG21 VAL 100 HG21 VAL 100 220.078 3.511 1.943 792 HG22 VAL 100 HG22 VAL 100 220.512 2.302 0.734 793 HG23 VAL 100 HG23 VAL 100 220.567 1.893 2.449 794 H LEU 101 HN LEU 101 216.035 3.528 0.031 795 HA LEU 101 HA LEU 101 216.736 5.517 -1.695 796 HB2 LEU 101 HB2 LEU 101 215.154 6.027 0.809 797 HB3 LEU 101 HB1 LEU 101 215.079 6.927 -0.681 798 HG LEU 101 HG LEU 101 214.389 4.045 -0.738 799 HD11 LEU 101 HD11 LEU 101 212.164 5.911 -0.262 800 HD12 LEU 101 HD12 LEU 101 213.178 5.555 1.134 801 HD13 LEU 101 HD13 LEU 101 212.379 4.244 0.266 802 HD21 LEU 101 HD21 LEU 101 214.587 5.555 -2.765 803 HD22 LEU 101 HD22 LEU 101 213.131 6.354 -2.171 804 HD23 LEU 101 HD23 LEU 101 213.085 4.646 -2.598 805 H ASP 102 HN ASP 102 217.438 7.593 -1.557 806 HA ASP 102 HA ASP 102 218.866 8.498 0.788 807 HB2 ASP 102 HB2 ASP 102 220.412 6.924 -0.261 808 HB3 ASP 102 HB1 ASP 102 220.252 7.773 -1.790 809 H ILE 103 HN ILE 103 219.949 10.632 0.318 810 HA ILE 103 HA ILE 103 218.151 12.255 -1.294 811 HB ILE 103 HB ILE 103 220.439 13.168 0.454 812 HG12 ILE 103 HG12 ILE 103 218.306 13.850 1.889 813 HG13 ILE 103 HG11 ILE 103 217.601 12.467 1.057 814 HG21 ILE 103 HG21 ILE 103 218.127 14.913 -0.076 815 HG22 ILE 103 HG22 ILE 103 219.176 14.591 -1.457 816 HG23 ILE 103 HG23 ILE 103 219.846 15.298 0.014 817 HD11 ILE 103 HD11 ILE 103 218.719 12.133 3.355 818 HD12 ILE 103 HD12 ILE 103 220.229 12.207 2.448 819 HD13 ILE 103 HD13 ILE 103 219.033 10.967 2.070 820 H ILE 104 HN ILE 104 218.624 12.802 -3.351 821 HA ILE 104 HA ILE 104 221.137 12.134 -4.504 822 HB ILE 104 HB ILE 104 218.955 13.876 -5.658 823 HG12 ILE 104 HG12 ILE 104 219.389 10.921 -6.105 824 HG13 ILE 104 HG11 ILE 104 218.261 11.556 -4.911 825 HG21 ILE 104 HG21 ILE 104 220.136 13.992 -7.545 826 HG22 ILE 104 HG22 ILE 104 220.513 12.270 -7.506 827 HG23 ILE 104 HG23 ILE 104 221.512 13.411 -6.607 828 HD11 ILE 104 HD11 ILE 104 217.791 12.798 -7.445 829 HD12 ILE 104 HD12 ILE 104 216.708 11.816 -6.460 830 HD13 ILE 104 HD13 ILE 104 217.790 11.043 -7.618 831 H LYS 105 HN LYS 105 222.856 13.375 -5.028 832 HA LYS 105 HA LYS 105 224.205 15.206 -5.273 833 HB2 LYS 105 HB2 LYS 105 222.011 16.976 -4.218 834 HB3 LYS 105 HB1 LYS 105 223.381 17.424 -5.222 835 HG2 LYS 105 HG2 LYS 105 221.775 15.425 -6.531 836 HG3 LYS 105 HG1 LYS 105 220.792 16.810 -6.055 837 HD2 LYS 105 HD2 LYS 105 221.533 17.813 -7.906 838 HD3 LYS 105 HD1 LYS 105 223.092 17.955 -7.092 839 HE2 LYS 105 HE2 LYS 105 223.883 16.804 -8.846 840 HE3 LYS 105 HE1 LYS 105 223.193 15.400 -8.032 841 HZ1 LYS 105 HZ1 LYS 105 221.262 16.792 -9.618 842 HZ2 LYS 105 HZ2 LYS 105 221.689 15.155 -9.632 843 HZ3 LYS 105 HZ3 LYS 105 222.578 16.268 -10.544 844 H SER 106 HN SER 106 222.733 14.166 -2.435 845 HA SER 106 HA SER 106 223.203 14.378 -0.212 846 HB2 SER 106 HB2 SER 106 226.063 14.928 -0.753 847 HB3 SER 106 HB1 SER 106 225.322 13.679 0.247 848 HG SER 106 HG SER 106 225.894 13.674 -2.488 849 H ASP 107 HN ASP 107 222.538 16.878 -1.588 850 HA ASP 107 HA ASP 107 224.129 18.822 -0.070 851 HB2 ASP 107 HB2 ASP 107 222.814 20.491 -1.529 852 HB3 ASP 107 HB1 ASP 107 224.054 19.514 -2.310 853 H LYS 108 HN LYS 108 222.979 20.611 0.971 854 HA LYS 108 HA LYS 108 220.804 19.611 2.573 855 HB2 LYS 108 HB2 LYS 108 222.820 21.591 2.836 856 HB3 LYS 108 HB1 LYS 108 221.272 22.407 3.000 857 HG2 LYS 108 HG2 LYS 108 221.618 21.826 5.165 858 HG3 LYS 108 HG1 LYS 108 220.778 20.376 4.616 859 HD2 LYS 108 HD2 LYS 108 222.569 19.395 5.633 860 HD3 LYS 108 HD1 LYS 108 223.251 19.623 4.022 861 HE2 LYS 108 HE2 LYS 108 223.589 21.956 5.729 862 HE3 LYS 108 HE1 LYS 108 224.340 20.509 6.400 863 HZ1 LYS 108 HZ1 LYS 108 225.452 22.127 4.544 864 HZ2 LYS 108 HZ2 LYS 108 224.843 20.870 3.590 865 HZ3 LYS 108 HZ3 LYS 108 225.922 20.530 4.847 866 H GLU 109 HN GLU 109 221.035 21.339 -0.337 867 HA GLU 109 HA GLU 109 218.954 23.152 -0.261 868 HB2 GLU 109 HB2 GLU 109 218.885 23.042 -2.635 869 HB3 GLU 109 HB1 GLU 109 220.555 22.760 -2.166 870 HG2 GLU 109 HG2 GLU 109 220.006 20.277 -2.348 871 HG3 GLU 109 HG1 GLU 109 218.542 20.789 -3.185 872 H ALA 110 HN ALA 110 216.883 22.943 0.224 873 HA ALA 110 HA ALA 110 215.600 20.442 0.537 874 HB1 ALA 110 HB1 ALA 110 213.508 21.959 0.680 875 HB2 ALA 110 HB2 ALA 110 214.669 23.285 0.607 876 HB3 ALA 110 HB3 ALA 110 214.759 22.106 1.915 877 H GLY 111 HN GLY 111 213.594 19.768 -0.565 878 HA2 GLY 111 HA2 GLY 111 212.312 19.352 -2.432 879 HA3 GLY 111 HA1 GLY 111 212.983 20.803 -3.163 880 H ALA 112 HN ALA 112 215.329 18.620 -2.001 881 HA ALA 112 HA ALA 112 216.248 18.098 -4.666 882 HB1 ALA 112 HB1 ALA 112 217.735 16.495 -2.967 883 HB2 ALA 112 HB2 ALA 112 217.300 17.885 -1.972 884 HB3 ALA 112 HB3 ALA 112 218.147 18.125 -3.500 885 H HIS 113 HN HIS 113 216.024 16.316 -5.861 886 HA HIS 113 HA HIS 113 214.013 14.448 -5.311 887 HB2 HIS 113 HB2 HIS 113 216.308 14.208 -7.267 888 HB3 HIS 113 HB1 HIS 113 214.832 13.249 -7.291 889 HD1 HIS 113 HD1 HIS 113 216.238 15.909 -9.045 890 HD2 HIS 113 HD2 HIS 113 212.491 15.301 -7.354 891 HE1 HIS 113 HE1 HIS 113 214.698 17.506 -10.230 892 HE2 HIS 113 HE2 HIS 113 212.458 17.187 -9.123 893 H ILE 114 HN ILE 114 214.294 12.080 -5.220 894 HA ILE 114 HA ILE 114 216.706 11.236 -3.794 895 HB ILE 114 HB ILE 114 214.936 9.754 -2.475 896 HG12 ILE 114 HG12 ILE 114 213.465 12.298 -3.158 897 HG13 ILE 114 HG11 ILE 114 212.949 10.646 -3.477 898 HG21 ILE 114 HG21 ILE 114 216.434 12.146 -1.959 899 HG22 ILE 114 HG22 ILE 114 216.081 10.798 -0.880 900 HG23 ILE 114 HG23 ILE 114 214.952 12.144 -1.007 901 HD11 ILE 114 HD11 ILE 114 212.713 10.254 -1.089 902 HD12 ILE 114 HD12 ILE 114 211.733 11.623 -1.615 903 HD13 ILE 114 HD13 ILE 114 213.252 11.901 -0.763 904 H CYS 115 HN CYS 115 216.938 8.849 -3.715 905 HA CYS 115 HA CYS 115 215.377 7.224 -5.467 906 HB2 CYS 115 HB2 CYS 115 217.222 6.696 -7.026 907 HB3 CYS 115 HB1 CYS 115 216.716 8.377 -7.153 908 HG CYS 115 HG CYS 115 218.983 8.508 -5.364 909 H ALA 116 HN ALA 116 216.721 5.006 -5.728 910 HA ALA 116 HA ALA 116 217.628 4.399 -3.012 911 HB1 ALA 116 HB1 ALA 116 215.896 3.077 -4.675 912 HB2 ALA 116 HB2 ALA 116 216.679 2.391 -3.252 913 HB3 ALA 116 HB3 ALA 116 217.384 2.156 -4.852 914 H TRP 117 HN TRP 117 219.683 3.874 -2.579 915 HA TRP 117 HA TRP 117 221.450 3.239 -4.826 916 HB2 TRP 117 HB2 TRP 117 221.768 5.605 -4.409 917 HB3 TRP 117 HB1 TRP 117 222.060 5.299 -2.704 918 HD1 TRP 117 HD1 TRP 117 224.525 5.040 -2.030 919 HE1 TRP 117 HE1 TRP 117 226.742 4.685 -3.288 920 HE3 TRP 117 HE3 TRP 117 222.681 4.353 -6.749 921 HZ2 TRP 117 HZ2 TRP 117 227.596 4.180 -5.931 922 HZ3 TRP 117 HZ3 TRP 117 224.266 3.939 -8.586 923 HH2 TRP 117 HH2 TRP 117 226.672 3.856 -8.183 924 H LYS 118 HN LYS 118 223.526 2.383 -4.162 925 HA LYS 118 HA LYS 118 223.222 0.222 -2.368 926 HB2 LYS 118 HB2 LYS 118 224.968 0.838 -4.394 927 HB3 LYS 118 HB1 LYS 118 225.992 0.983 -2.972 928 HG2 LYS 118 HG2 LYS 118 224.309 -1.420 -3.039 929 HG3 LYS 118 HG1 LYS 118 225.531 -1.322 -4.309 930 HD2 LYS 118 HD2 LYS 118 226.476 -0.595 -1.623 931 HD3 LYS 118 HD1 LYS 118 225.977 -2.278 -1.804 932 HE2 LYS 118 HE2 LYS 118 227.909 -0.872 -3.641 933 HE3 LYS 118 HE1 LYS 118 228.393 -1.868 -2.269 934 HZ1 LYS 118 HZ1 LYS 118 227.185 -3.732 -3.309 935 HZ2 LYS 118 HZ2 LYS 118 228.469 -3.173 -4.258 936 HZ3 LYS 118 HZ3 LYS 118 226.879 -2.762 -4.662 937 H GLN 119 HN GLN 119 223.240 0.287 -0.221 938 HA GLN 119 HA GLN 119 224.017 2.532 1.282 939 HB2 GLN 119 HB2 GLN 119 222.389 0.810 2.034 940 HB3 GLN 119 HB1 GLN 119 223.720 -0.321 2.237 941 HG2 GLN 119 HG2 GLN 119 224.693 1.072 3.953 942 HG3 GLN 119 HG1 GLN 119 223.445 2.293 3.704 943 HE21 GLN 119 HE21 GLN 119 223.590 1.600 6.169 944 HE22 GLN 119 HE22 GLN 119 222.369 0.473 6.642 945 H HIS 120 HN HIS 120 225.941 3.209 1.945 946 HA HIS 120 HA HIS 120 228.121 1.266 2.225 947 HB2 HIS 120 HB2 HIS 120 229.677 2.916 1.173 948 HB3 HIS 120 HB1 HIS 120 228.487 2.250 0.059 949 HD1 HIS 120 HD1 HIS 120 228.645 5.314 2.328 950 HD2 HIS 120 HD2 HIS 120 227.460 4.195 -1.494 951 HE1 HIS 120 HE1 HIS 120 227.805 7.421 1.241 952 HE2 HIS 120 HE2 HIS 120 227.173 6.735 -1.100 953 H GLY 121 HN GLY 121 226.270 3.154 3.917 954 HA2 GLY 121 HA2 GLY 121 226.556 4.015 6.046 955 HA3 GLY 121 HA1 GLY 121 228.276 3.683 5.909 956 H GLY 122 HN GLY 122 225.896 5.808 4.315 957 HA2 GLY 122 HA2 GLY 122 227.864 7.998 4.587 958 HA3 GLY 122 HA1 GLY 122 226.742 7.857 3.242 959 HA PRO 123 HA PRO 123 225.043 10.314 7.057 960 HB2 PRO 123 HB2 PRO 123 225.467 12.846 6.083 961 HB3 PRO 123 HB1 PRO 123 226.545 12.030 7.219 962 HG2 PRO 123 HG2 PRO 123 226.785 12.316 4.251 963 HG3 PRO 123 HG1 PRO 123 228.042 12.448 5.495 964 HD2 PRO 123 HD2 PRO 123 227.757 10.232 4.000 965 HD3 PRO 123 HD1 PRO 123 228.251 10.150 5.705 966 H ASN 124 HN ASN 124 224.991 10.757 3.573 967 HA ASN 124 HA ASN 124 222.407 12.001 3.527 968 HB2 ASN 124 HB2 ASN 124 222.578 11.665 1.063 969 HB3 ASN 124 HB1 ASN 124 223.961 12.508 1.754 970 HD21 ASN 124 HD21 ASN 124 224.085 11.293 -0.709 971 HD22 ASN 124 HD22 ASN 124 225.149 9.934 -0.625 972 H GLN 125 HN GLN 125 223.297 8.901 4.223 973 HA GLN 125 HA GLN 125 220.917 7.732 2.957 974 HB2 GLN 125 HB2 GLN 125 223.162 6.205 4.266 975 HB3 GLN 125 HB1 GLN 125 221.948 5.598 3.150 976 HG2 GLN 125 HG2 GLN 125 223.597 7.746 2.052 977 HG3 GLN 125 HG1 GLN 125 224.497 6.297 2.495 978 HE21 GLN 125 HE21 GLN 125 224.054 7.344 -0.139 979 HE22 GLN 125 HE22 GLN 125 223.198 6.134 -1.027 980 H LYS 126 HN LYS 126 221.503 9.261 5.691 981 HA LYS 126 HA LYS 126 220.201 7.281 7.433 982 HB2 LYS 126 HB2 LYS 126 221.315 9.845 8.485 983 HB3 LYS 126 HB1 LYS 126 221.186 8.279 9.271 984 HG2 LYS 126 HG2 LYS 126 223.087 8.849 7.012 985 HG3 LYS 126 HG1 LYS 126 223.511 9.018 8.716 986 HD2 LYS 126 HD2 LYS 126 222.488 6.536 8.753 987 HD3 LYS 126 HD1 LYS 126 223.084 6.583 7.092 988 HE2 LYS 126 HE2 LYS 126 225.288 6.870 7.757 989 HE3 LYS 126 HE1 LYS 126 224.833 7.480 9.347 990 HZ1 LYS 126 HZ1 LYS 126 225.694 5.007 8.922 991 HZ2 LYS 126 HZ2 LYS 126 224.030 4.752 8.751 992 HZ3 LYS 126 HZ3 LYS 126 224.641 5.414 10.183 993 H PHE 127 HN PHE 127 218.278 7.700 8.452 994 HA PHE 127 HA PHE 127 217.019 10.311 8.077 995 HB2 PHE 127 HB2 PHE 127 215.454 7.798 7.544 996 HB3 PHE 127 HB1 PHE 127 215.039 9.456 7.129 997 HD1 PHE 127 HD2 PHE 127 217.164 6.585 6.254 998 HD2 PHE 127 HD1 PHE 127 215.782 10.440 5.101 999 HE1 PHE 127 HE2 PHE 127 218.083 6.235 3.999 1000 HE2 PHE 127 HE1 PHE 127 216.697 10.098 2.842 1001 HZ PHE 127 HZ PHE 127 217.849 7.991 2.291 1002 H ILE 128 HN ILE 128 215.220 10.673 9.538 1003 HA ILE 128 HA ILE 128 215.392 8.950 11.920 1004 HB ILE 128 HB ILE 128 214.264 11.682 12.133 1005 HG12 ILE 128 HG12 ILE 128 217.242 11.149 12.012 1006 HG13 ILE 128 HG11 ILE 128 216.318 11.988 10.770 1007 HG21 ILE 128 HG21 ILE 128 216.234 10.578 14.038 1008 HG22 ILE 128 HG22 ILE 128 214.683 9.747 13.920 1009 HG23 ILE 128 HG23 ILE 128 214.736 11.460 14.336 1010 HD11 ILE 128 HD11 ILE 128 216.134 13.052 13.521 1011 HD12 ILE 128 HD12 ILE 128 216.179 13.897 11.974 1012 HD13 ILE 128 HD13 ILE 128 217.667 13.258 12.673 1013 H ILE 129 HN ILE 129 213.588 8.159 12.797 1014 HA ILE 129 HA ILE 129 211.069 8.665 11.370 1015 HB ILE 129 HB ILE 129 211.768 6.180 12.927 1016 HG12 ILE 129 HG12 ILE 129 213.317 6.299 11.088 1017 HG13 ILE 129 HG11 ILE 129 212.070 5.129 10.669 1018 HG21 ILE 129 HG21 ILE 129 209.372 6.732 12.605 1019 HG22 ILE 129 HG22 ILE 129 209.863 5.214 11.854 1020 HG23 ILE 129 HG23 ILE 129 209.633 6.654 10.862 1021 HD11 ILE 129 HD11 ILE 129 211.792 6.217 8.766 1022 HD12 ILE 129 HD12 ILE 129 212.879 7.504 9.288 1023 HD13 ILE 129 HD13 ILE 129 211.163 7.584 9.687 1024 H GLU 130 HN GLU 130 209.222 9.102 12.495 1025 HA GLU 130 HA GLU 130 209.305 9.026 15.420 1026 HB2 GLU 130 HB2 GLU 130 209.769 11.373 14.138 1027 HB3 GLU 130 HB1 GLU 130 208.017 11.425 14.275 1028 HG2 GLU 130 HG2 GLU 130 208.716 10.677 16.785 1029 HG3 GLU 130 HG1 GLU 130 210.085 11.692 16.333 1030 H SER 131 HN SER 131 207.817 7.381 15.505 1031 HA SER 131 HA SER 131 205.546 7.041 13.970 1032 HB2 SER 131 HB2 SER 131 205.938 6.307 16.881 1033 HB3 SER 131 HB1 SER 131 204.685 5.654 15.826 1034 HG SER 131 HG SER 131 206.130 4.224 15.318 1035 H GLU 132 HN GLU 132 203.987 8.465 13.611 1036 HA GLU 132 HA GLU 132 203.327 10.588 15.366 1037 HB2 GLU 132 HB2 GLU 132 202.958 10.289 12.775 1038 HB3 GLU 132 HB1 GLU 132 201.408 9.630 13.282 1039 HG2 GLU 132 HG2 GLU 132 200.707 11.742 13.183 1040 HG3 GLU 132 HG1 GLU 132 201.520 11.920 14.738 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 191.788 1.518 12.658 2 H2 MET 1 HT2 MET 1 190.120 1.192 12.417 3 H3 MET 1 HT3 MET 1 190.608 2.595 13.278 4 HA MET 1 HA MET 1 190.832 2.004 10.417 5 HB2 MET 1 HB2 MET 1 188.779 3.044 11.453 6 HB3 MET 1 HB1 MET 1 189.786 4.408 11.921 7 HG2 MET 1 HG2 MET 1 190.381 4.421 9.362 8 HG3 MET 1 HG1 MET 1 188.837 3.581 9.231 9 HE1 MET 1 HE1 MET 1 189.174 6.018 7.655 10 HE2 MET 1 HE2 MET 1 190.230 6.974 8.694 11 HE3 MET 1 HE3 MET 1 188.612 7.557 8.306 12 H LYS 2 HN LYS 2 192.116 3.367 9.133 13 HA LYS 2 HA LYS 2 193.985 4.540 8.582 14 HB2 LYS 2 HB2 LYS 2 193.120 5.905 11.105 15 HB3 LYS 2 HB1 LYS 2 194.638 6.358 10.344 16 HG2 LYS 2 HG2 LYS 2 192.347 6.243 8.520 17 HG3 LYS 2 HG1 LYS 2 192.229 7.467 9.785 18 HD2 LYS 2 HD2 LYS 2 194.812 7.250 8.348 19 HD3 LYS 2 HD1 LYS 2 193.446 7.918 7.452 20 HE2 LYS 2 HE2 LYS 2 193.983 8.933 10.198 21 HE3 LYS 2 HE1 LYS 2 195.041 9.455 8.888 22 HZ1 LYS 2 HZ1 LYS 2 192.201 9.604 8.327 23 HZ2 LYS 2 HZ2 LYS 2 193.433 10.708 7.977 24 HZ3 LYS 2 HZ3 LYS 2 192.752 10.665 9.524 25 HA PRO 3 HA PRO 3 196.686 1.527 10.763 26 HB2 PRO 3 HB2 PRO 3 198.350 2.423 8.452 27 HB3 PRO 3 HB1 PRO 3 198.077 0.792 9.077 28 HG2 PRO 3 HG2 PRO 3 196.853 1.611 6.862 29 HG3 PRO 3 HG1 PRO 3 196.007 0.600 8.048 30 HD2 PRO 3 HD2 PRO 3 195.734 3.518 7.507 31 HD3 PRO 3 HD1 PRO 3 194.504 2.342 8.009 32 H LYS 4 HN LYS 4 199.146 1.762 11.243 33 HA LYS 4 HA LYS 4 199.479 4.280 12.597 34 HB2 LYS 4 HB2 LYS 4 200.412 1.656 12.959 35 HB3 LYS 4 HB1 LYS 4 201.843 2.621 12.626 36 HG2 LYS 4 HG2 LYS 4 201.623 2.668 14.946 37 HG3 LYS 4 HG1 LYS 4 200.976 4.221 14.410 38 HD2 LYS 4 HD2 LYS 4 198.913 3.745 15.153 39 HD3 LYS 4 HD1 LYS 4 198.975 2.091 14.538 40 HE2 LYS 4 HE2 LYS 4 200.712 2.632 16.847 41 HE3 LYS 4 HE1 LYS 4 198.983 2.761 17.169 42 HZ1 LYS 4 HZ1 LYS 4 199.820 0.427 15.657 43 HZ2 LYS 4 HZ2 LYS 4 198.682 0.562 16.901 44 HZ3 LYS 4 HZ3 LYS 4 200.330 0.474 17.270 45 H PHE 5 HN PHE 5 200.318 6.022 11.691 46 HA PHE 5 HA PHE 5 202.022 5.740 9.327 47 HB2 PHE 5 HB2 PHE 5 200.350 7.955 10.455 48 HB3 PHE 5 HB1 PHE 5 201.683 8.346 9.373 49 HD1 PHE 5 HD2 PHE 5 201.714 7.283 7.081 50 HD2 PHE 5 HD1 PHE 5 198.299 7.226 9.618 51 HE1 PHE 5 HE2 PHE 5 200.286 6.801 5.140 52 HE2 PHE 5 HE1 PHE 5 196.862 6.742 7.679 53 HZ PHE 5 HZ PHE 5 197.856 6.530 5.436 54 H PHE 6 HN PHE 6 203.774 7.567 9.183 55 HA PHE 6 HA PHE 6 204.939 8.215 11.772 56 HB2 PHE 6 HB2 PHE 6 207.061 7.073 10.180 57 HB3 PHE 6 HB1 PHE 6 206.622 6.756 11.846 58 HD1 PHE 6 HD1 PHE 6 204.798 5.041 12.289 59 HD2 PHE 6 HD2 PHE 6 206.686 5.522 8.508 60 HE1 PHE 6 HE1 PHE 6 204.083 2.778 11.646 61 HE2 PHE 6 HE2 PHE 6 205.972 3.264 7.855 62 HZ PHE 6 HZ PHE 6 204.668 1.885 9.428 63 H TYR 7 HN TYR 7 207.070 9.375 11.474 64 HA TYR 7 HA TYR 7 206.861 11.083 9.095 65 HB2 TYR 7 HB2 TYR 7 206.971 11.741 11.869 66 HB3 TYR 7 HB1 TYR 7 208.456 12.317 11.122 67 HD1 TYR 7 HD2 TYR 7 207.720 13.265 8.537 68 HD2 TYR 7 HD1 TYR 7 205.502 13.486 12.160 69 HE1 TYR 7 HE2 TYR 7 206.526 15.235 7.679 70 HE2 TYR 7 HE1 TYR 7 204.301 15.457 11.313 71 HH TYR 7 HH TYR 7 203.769 16.565 9.296 72 H ILE 8 HN ILE 8 208.491 10.955 7.689 73 HA ILE 8 HA ILE 8 210.995 9.710 8.598 74 HB ILE 8 HB ILE 8 210.952 9.927 5.756 75 HG12 ILE 8 HG12 ILE 8 208.474 10.056 5.994 76 HG13 ILE 8 HG11 ILE 8 209.011 8.607 5.153 77 HG21 ILE 8 HG21 ILE 8 211.318 7.576 5.833 78 HG22 ILE 8 HG22 ILE 8 210.595 7.455 7.437 79 HG23 ILE 8 HG23 ILE 8 212.138 8.282 7.226 80 HD11 ILE 8 HD11 ILE 8 207.838 7.392 6.570 81 HD12 ILE 8 HD12 ILE 8 207.391 8.836 7.478 82 HD13 ILE 8 HD13 ILE 8 208.865 7.957 7.888 83 H LYS 9 HN LYS 9 212.455 11.195 9.122 84 HA LYS 9 HA LYS 9 212.624 13.648 7.519 85 HB2 LYS 9 HB2 LYS 9 212.223 14.094 9.824 86 HB3 LYS 9 HB1 LYS 9 213.484 12.977 10.325 87 HG2 LYS 9 HG2 LYS 9 215.062 14.529 10.163 88 HG3 LYS 9 HG1 LYS 9 214.485 15.070 8.586 89 HD2 LYS 9 HD2 LYS 9 213.185 16.692 9.465 90 HD3 LYS 9 HD1 LYS 9 212.806 15.752 10.909 91 HE2 LYS 9 HE2 LYS 9 215.602 16.683 10.586 92 HE3 LYS 9 HE1 LYS 9 214.387 17.904 10.964 93 HZ1 LYS 9 HZ1 LYS 9 214.825 17.280 13.061 94 HZ2 LYS 9 HZ2 LYS 9 215.440 15.768 12.616 95 HZ3 LYS 9 HZ3 LYS 9 213.769 16.000 12.727 96 H SER 10 HN SER 10 214.463 14.210 6.465 97 HA SER 10 HA SER 10 216.496 12.222 6.088 98 HB2 SER 10 HB2 SER 10 216.081 13.467 4.144 99 HB3 SER 10 HB1 SER 10 216.015 14.995 5.022 100 HG SER 10 HG SER 10 218.396 13.488 4.896 101 H GLU 11 HN GLU 11 217.896 11.884 7.686 102 HA GLU 11 HA GLU 11 218.568 13.712 9.694 103 HB2 GLU 11 HB2 GLU 11 218.802 11.330 10.043 104 HB3 GLU 11 HB1 GLU 11 220.002 11.223 8.764 105 HG2 GLU 11 HG2 GLU 11 221.669 11.952 10.080 106 HG3 GLU 11 HG1 GLU 11 220.638 13.099 10.934 107 H LEU 12 HN LEU 12 219.581 13.603 6.488 108 HA LEU 12 HA LEU 12 222.208 14.711 6.947 109 HB2 LEU 12 HB2 LEU 12 221.830 13.281 5.018 110 HB3 LEU 12 HB1 LEU 12 220.598 14.374 4.418 111 HG LEU 12 HG LEU 12 222.496 16.135 4.362 112 HD11 LEU 12 HD11 LEU 12 224.227 13.701 4.102 113 HD12 LEU 12 HD12 LEU 12 224.024 14.529 5.647 114 HD13 LEU 12 HD13 LEU 12 224.704 15.391 4.267 115 HD21 LEU 12 HD21 LEU 12 223.161 15.382 2.118 116 HD22 LEU 12 HD22 LEU 12 221.421 15.253 2.375 117 HD23 LEU 12 HD23 LEU 12 222.432 13.810 2.442 118 H ASN 13 HN ASN 13 219.331 15.923 5.208 119 HA ASN 13 HA ASN 13 220.262 18.646 5.428 120 HB2 ASN 13 HB2 ASN 13 217.599 17.768 4.346 121 HB3 ASN 13 HB1 ASN 13 218.549 19.176 3.898 122 HD21 ASN 13 HD21 ASN 13 217.441 16.562 2.609 123 HD22 ASN 13 HD22 ASN 13 218.754 16.060 1.604 124 H GLY 14 HN GLY 14 218.313 16.615 7.342 125 HA2 GLY 14 HA2 GLY 14 217.175 17.126 9.296 126 HA3 GLY 14 HA1 GLY 14 217.554 18.824 9.028 127 H LYS 15 HN LYS 15 216.304 17.720 6.202 128 HA LYS 15 HA LYS 15 213.716 18.926 6.708 129 HB2 LYS 15 HB2 LYS 15 214.745 17.784 4.111 130 HB3 LYS 15 HB1 LYS 15 213.492 18.988 4.332 131 HG2 LYS 15 HG2 LYS 15 216.451 19.323 4.709 132 HG3 LYS 15 HG1 LYS 15 215.415 20.105 3.516 133 HD2 LYS 15 HD2 LYS 15 214.348 20.691 6.071 134 HD3 LYS 15 HD1 LYS 15 216.089 20.966 6.155 135 HE2 LYS 15 HE2 LYS 15 214.283 22.093 4.019 136 HE3 LYS 15 HE1 LYS 15 214.779 22.968 5.467 137 HZ1 LYS 15 HZ1 LYS 15 216.867 21.794 3.784 138 HZ2 LYS 15 HZ2 LYS 15 216.896 23.209 4.710 139 HZ3 LYS 15 HZ3 LYS 15 216.090 23.189 3.223 140 H VAL 16 HN VAL 16 211.873 17.710 5.343 141 HA VAL 16 HA VAL 16 212.012 14.861 6.089 142 HB VAL 16 HB VAL 16 209.477 15.034 6.268 143 HG11 VAL 16 HG11 VAL 16 209.597 16.022 8.574 144 HG12 VAL 16 HG12 VAL 16 211.280 16.426 8.236 145 HG13 VAL 16 HG13 VAL 16 210.763 14.740 8.246 146 HG21 VAL 16 HG21 VAL 16 209.704 17.447 5.178 147 HG22 VAL 16 HG22 VAL 16 209.801 17.919 6.875 148 HG23 VAL 16 HG23 VAL 16 208.393 17.035 6.284 149 H LEU 17 HN LEU 17 211.277 13.380 4.608 150 HA LEU 17 HA LEU 17 211.207 14.243 1.884 151 HB2 LEU 17 HB2 LEU 17 210.459 11.755 1.552 152 HB3 LEU 17 HB1 LEU 17 212.112 12.146 1.981 153 HG LEU 17 HG LEU 17 210.497 11.748 4.346 154 HD11 LEU 17 HD11 LEU 17 210.588 9.134 3.733 155 HD12 LEU 17 HD12 LEU 17 210.212 9.808 2.148 156 HD13 LEU 17 HD13 LEU 17 209.154 10.138 3.520 157 HD21 LEU 17 HD21 LEU 17 212.683 11.487 4.838 158 HD22 LEU 17 HD22 LEU 17 213.092 10.936 3.214 159 HD23 LEU 17 HD23 LEU 17 212.377 9.814 4.371 160 H ASP 18 HN ASP 18 209.493 14.537 0.534 161 HA ASP 18 HA ASP 18 206.807 13.882 1.499 162 HB2 ASP 18 HB2 ASP 18 207.369 16.256 2.113 163 HB3 ASP 18 HB1 ASP 18 207.544 16.600 0.396 164 H ILE 19 HN ILE 19 205.257 13.615 -0.145 165 HA ILE 19 HA ILE 19 206.425 13.049 -2.758 166 HB ILE 19 HB ILE 19 203.518 12.657 -2.181 167 HG12 ILE 19 HG12 ILE 19 205.799 11.071 -1.017 168 HG13 ILE 19 HG11 ILE 19 204.370 11.693 -0.203 169 HG21 ILE 19 HG21 ILE 19 205.509 10.974 -3.692 170 HG22 ILE 19 HG22 ILE 19 204.513 12.235 -4.417 171 HG23 ILE 19 HG23 ILE 19 203.752 10.814 -3.701 172 HD11 ILE 19 HD11 ILE 19 203.383 9.943 -2.123 173 HD12 ILE 19 HD12 ILE 19 203.510 9.664 -0.387 174 HD13 ILE 19 HD13 ILE 19 204.808 9.144 -1.461 175 H GLU 20 HN GLU 20 206.343 14.478 -4.393 176 HA GLU 20 HA GLU 20 205.042 16.967 -4.126 177 HB2 GLU 20 HB2 GLU 20 206.965 15.830 -5.828 178 HB3 GLU 20 HB1 GLU 20 205.641 16.317 -6.876 179 HG2 GLU 20 HG2 GLU 20 206.734 18.203 -4.832 180 HG3 GLU 20 HG1 GLU 20 207.544 17.984 -6.382 181 H GLY 21 HN GLY 21 202.959 17.381 -4.335 182 HA2 GLY 21 HA2 GLY 21 201.173 17.385 -6.115 183 HA3 GLY 21 HA1 GLY 21 201.363 15.638 -6.103 184 H GLN 22 HN GLN 22 201.695 15.497 -3.181 185 HA GLN 22 HA GLN 22 200.365 15.054 -1.398 186 HB2 GLN 22 HB2 GLN 22 199.138 17.684 -2.249 187 HB3 GLN 22 HB1 GLN 22 198.849 16.900 -0.702 188 HG2 GLN 22 HG2 GLN 22 201.599 17.014 -0.862 189 HG3 GLN 22 HG1 GLN 22 201.075 18.538 -1.575 190 HE21 GLN 22 HE21 GLN 22 199.747 16.566 1.053 191 HE22 GLN 22 HE22 GLN 22 199.805 17.810 2.249 192 H ASN 23 HN ASN 23 199.497 14.137 -4.107 193 HA ASN 23 HA ASN 23 196.667 13.671 -3.451 194 HB2 ASN 23 HB2 ASN 23 197.876 13.991 -6.208 195 HB3 ASN 23 HB1 ASN 23 196.201 13.557 -5.879 196 HD21 ASN 23 HD21 ASN 23 196.837 15.740 -7.408 197 HD22 ASN 23 HD22 ASN 23 196.409 17.183 -6.561 198 HA PRO 24 HA PRO 24 197.763 9.402 -3.824 199 HB2 PRO 24 HB2 PRO 24 195.100 8.513 -4.188 200 HB3 PRO 24 HB1 PRO 24 195.963 8.697 -2.662 201 HG2 PRO 24 HG2 PRO 24 193.762 10.203 -3.493 202 HG3 PRO 24 HG1 PRO 24 194.858 10.607 -2.163 203 HD2 PRO 24 HD2 PRO 24 194.801 11.644 -4.959 204 HD3 PRO 24 HD1 PRO 24 195.234 12.476 -3.450 205 H ALA 25 HN ALA 25 197.872 10.853 -6.392 206 HA ALA 25 HA ALA 25 196.711 8.909 -8.241 207 HB1 ALA 25 HB1 ALA 25 196.223 11.188 -8.794 208 HB2 ALA 25 HB2 ALA 25 197.357 10.560 -9.990 209 HB3 ALA 25 HB3 ALA 25 197.929 11.624 -8.706 210 HA PRO 26 HA PRO 26 200.610 6.901 -8.860 211 HB2 PRO 26 HB2 PRO 26 199.759 6.310 -11.608 212 HB3 PRO 26 HB1 PRO 26 200.072 5.203 -10.271 213 HG2 PRO 26 HG2 PRO 26 197.584 5.669 -11.183 214 HG3 PRO 26 HG1 PRO 26 197.914 5.350 -9.470 215 HD2 PRO 26 HD2 PRO 26 197.401 7.959 -10.849 216 HD3 PRO 26 HD1 PRO 26 196.814 7.378 -9.276 217 H GLY 27 HN GLY 27 202.566 7.641 -9.423 218 HA2 GLY 27 HA2 GLY 27 204.064 8.339 -11.206 219 HA3 GLY 27 HA1 GLY 27 202.765 9.341 -11.827 220 H SER 28 HN SER 28 202.685 9.698 -8.526 221 HA SER 28 HA SER 28 203.739 12.336 -8.676 222 HB2 SER 28 HB2 SER 28 202.643 10.619 -6.471 223 HB3 SER 28 HB1 SER 28 203.435 12.147 -6.090 224 HG SER 28 HG SER 28 201.063 12.152 -6.481 225 H LYS 29 HN LYS 29 205.778 12.964 -8.491 226 HA LYS 29 HA LYS 29 207.855 11.119 -7.802 227 HB2 LYS 29 HB2 LYS 29 208.123 14.097 -8.201 228 HB3 LYS 29 HB1 LYS 29 209.365 12.872 -8.388 229 HG2 LYS 29 HG2 LYS 29 206.942 12.725 -10.104 230 HG3 LYS 29 HG1 LYS 29 208.186 13.922 -10.471 231 HD2 LYS 29 HD2 LYS 29 209.745 12.335 -11.018 232 HD3 LYS 29 HD1 LYS 29 209.035 11.117 -9.957 233 HE2 LYS 29 HE2 LYS 29 208.763 10.622 -12.377 234 HE3 LYS 29 HE1 LYS 29 207.239 10.733 -11.497 235 HZ1 LYS 29 HZ1 LYS 29 207.056 11.896 -13.571 236 HZ2 LYS 29 HZ2 LYS 29 208.430 12.824 -13.237 237 HZ3 LYS 29 HZ3 LYS 29 207.027 13.029 -12.315 238 H ILE 30 HN ILE 30 209.506 11.594 -6.152 239 HA ILE 30 HA ILE 30 208.315 12.939 -3.807 240 HB ILE 30 HB ILE 30 209.457 11.318 -2.369 241 HG12 ILE 30 HG12 ILE 30 210.150 9.884 -4.942 242 HG13 ILE 30 HG11 ILE 30 211.300 10.784 -3.959 243 HG21 ILE 30 HG21 ILE 30 207.513 10.387 -4.441 244 HG22 ILE 30 HG22 ILE 30 207.249 10.728 -2.731 245 HG23 ILE 30 HG23 ILE 30 208.109 9.266 -3.216 246 HD11 ILE 30 HD11 ILE 30 211.676 8.965 -2.769 247 HD12 ILE 30 HD12 ILE 30 210.481 8.084 -3.717 248 HD13 ILE 30 HD13 ILE 30 209.987 8.948 -2.262 249 H ILE 31 HN ILE 31 209.663 14.085 -2.418 250 HA ILE 31 HA ILE 31 212.496 14.314 -2.935 251 HB ILE 31 HB ILE 31 212.587 16.615 -3.478 252 HG12 ILE 31 HG12 ILE 31 210.492 17.132 -2.034 253 HG13 ILE 31 HG11 ILE 31 210.821 18.141 -3.434 254 HG21 ILE 31 HG21 ILE 31 211.542 16.696 -5.652 255 HG22 ILE 31 HG22 ILE 31 210.435 15.399 -5.200 256 HG23 ILE 31 HG23 ILE 31 212.162 15.074 -5.347 257 HD11 ILE 31 HD11 ILE 31 208.435 17.457 -3.100 258 HD12 ILE 31 HD12 ILE 31 208.931 15.814 -3.507 259 HD13 ILE 31 HD13 ILE 31 209.114 17.110 -4.690 260 H THR 32 HN THR 32 213.272 16.361 -1.509 261 HA THR 32 HA THR 32 212.077 15.853 1.131 262 HB THR 32 HB THR 32 214.130 16.319 2.117 263 HG1 THR 32 HG1 THR 32 215.035 17.535 -0.276 264 HG21 THR 32 HG21 THR 32 215.907 15.198 0.834 265 HG22 THR 32 HG22 THR 32 214.837 15.164 -0.567 266 HG23 THR 32 HG23 THR 32 214.406 14.274 0.893 267 H TRP 33 HN TRP 33 211.581 17.586 2.554 268 HA TRP 33 HA TRP 33 211.824 20.310 1.662 269 HB2 TRP 33 HB2 TRP 33 209.800 19.288 0.441 270 HB3 TRP 33 HB1 TRP 33 209.014 19.282 2.016 271 HD1 TRP 33 HD1 TRP 33 207.468 21.293 2.248 272 HE1 TRP 33 HE1 TRP 33 207.511 23.759 1.514 273 HE3 TRP 33 HE3 TRP 33 211.926 21.316 -0.254 274 HZ2 TRP 33 HZ2 TRP 33 209.211 25.484 0.069 275 HZ3 TRP 33 HZ3 TRP 33 212.689 23.416 -1.284 276 HH2 TRP 33 HH2 TRP 33 211.357 25.457 -1.127 277 H ASP 34 HN ASP 34 210.474 21.774 3.242 278 HA ASP 34 HA ASP 34 211.358 21.136 5.874 279 HB2 ASP 34 HB2 ASP 34 209.426 23.327 5.106 280 HB3 ASP 34 HB1 ASP 34 210.481 23.271 6.515 281 H GLN 35 HN GLN 35 210.259 20.354 7.597 282 HA GLN 35 HA GLN 35 207.911 18.859 7.188 283 HB2 GLN 35 HB2 GLN 35 207.909 18.587 9.656 284 HB3 GLN 35 HB1 GLN 35 209.469 18.239 8.924 285 HG2 GLN 35 HG2 GLN 35 209.711 20.886 9.519 286 HG3 GLN 35 HG1 GLN 35 208.707 20.303 10.845 287 HE21 GLN 35 HE21 GLN 35 211.716 19.709 9.108 288 HE22 GLN 35 HE22 GLN 35 212.566 19.022 10.447 289 H LYS 36 HN LYS 36 205.848 19.120 8.312 290 HA LYS 36 HA LYS 36 205.125 21.938 8.759 291 HB2 LYS 36 HB2 LYS 36 203.945 19.968 6.887 292 HB3 LYS 36 HB1 LYS 36 202.806 20.958 7.789 293 HG2 LYS 36 HG2 LYS 36 203.096 22.264 5.950 294 HG3 LYS 36 HG1 LYS 36 204.376 22.909 6.980 295 HD2 LYS 36 HD2 LYS 36 205.406 22.583 4.901 296 HD3 LYS 36 HD1 LYS 36 205.897 21.184 5.858 297 HE2 LYS 36 HE2 LYS 36 203.998 19.923 4.820 298 HE3 LYS 36 HE1 LYS 36 203.748 21.301 3.750 299 HZ1 LYS 36 HZ1 LYS 36 205.555 20.797 2.536 300 HZ2 LYS 36 HZ2 LYS 36 205.316 19.241 3.153 301 HZ3 LYS 36 HZ3 LYS 36 206.458 20.266 3.865 302 H LYS 37 HN LYS 37 203.072 22.184 9.988 303 HA LYS 37 HA LYS 37 202.693 19.963 11.887 304 HB2 LYS 37 HB2 LYS 37 202.558 22.914 12.527 305 HB3 LYS 37 HB1 LYS 37 202.363 21.588 13.666 306 HG2 LYS 37 HG2 LYS 37 204.884 22.093 12.105 307 HG3 LYS 37 HG1 LYS 37 204.587 22.710 13.732 308 HD2 LYS 37 HD2 LYS 37 204.053 20.194 14.249 309 HD3 LYS 37 HD1 LYS 37 205.034 19.907 12.811 310 HE2 LYS 37 HE2 LYS 37 206.928 20.933 13.779 311 HE3 LYS 37 HE1 LYS 37 205.973 21.631 15.087 312 HZ1 LYS 37 HZ1 LYS 37 207.173 19.769 15.929 313 HZ2 LYS 37 HZ2 LYS 37 206.622 18.763 14.687 314 HZ3 LYS 37 HZ3 LYS 37 205.540 19.331 15.856 315 H GLY 38 HN GLY 38 200.772 19.097 11.416 316 HA2 GLY 38 HA2 GLY 38 198.351 20.096 12.022 317 HA3 GLY 38 HA1 GLY 38 198.603 20.732 10.403 318 HA PRO 39 HA PRO 39 196.861 16.380 10.178 319 HB2 PRO 39 HB2 PRO 39 194.408 16.913 9.242 320 HB3 PRO 39 HB1 PRO 39 194.779 16.967 10.970 321 HG2 PRO 39 HG2 PRO 39 194.558 19.214 9.011 322 HG3 PRO 39 HG1 PRO 39 193.933 19.107 10.666 323 HD2 PRO 39 HD2 PRO 39 196.240 20.414 10.000 324 HD3 PRO 39 HD1 PRO 39 195.947 19.690 11.593 325 H THR 40 HN THR 40 197.706 18.869 8.145 326 HA THR 40 HA THR 40 197.089 17.304 5.730 327 HB THR 40 HB THR 40 197.262 19.360 4.464 328 HG1 THR 40 HG1 THR 40 198.709 20.628 5.402 329 HG21 THR 40 HG21 THR 40 195.480 19.411 6.845 330 HG22 THR 40 HG22 THR 40 195.077 19.262 5.134 331 HG23 THR 40 HG23 THR 40 195.567 20.823 5.792 332 H ALA 41 HN ALA 41 199.334 16.851 7.564 333 HA ALA 41 HA ALA 41 201.568 17.456 5.738 334 HB1 ALA 41 HB1 ALA 41 201.742 18.526 7.964 335 HB2 ALA 41 HB2 ALA 41 203.062 17.407 7.621 336 HB3 ALA 41 HB3 ALA 41 201.753 16.922 8.698 337 H VAL 42 HN VAL 42 199.547 15.040 6.452 338 HA VAL 42 HA VAL 42 201.142 12.815 7.077 339 HB VAL 42 HB VAL 42 198.840 12.468 5.207 340 HG11 VAL 42 HG11 VAL 42 198.577 10.444 6.259 341 HG12 VAL 42 HG12 VAL 42 199.229 11.031 7.788 342 HG13 VAL 42 HG13 VAL 42 200.315 10.677 6.445 343 HG21 VAL 42 HG21 VAL 42 197.655 13.950 6.459 344 HG22 VAL 42 HG22 VAL 42 198.700 13.766 7.867 345 HG23 VAL 42 HG23 VAL 42 197.487 12.539 7.504 346 H ASN 43 HN ASN 43 200.986 14.693 4.214 347 HA ASN 43 HA ASN 43 201.713 12.786 2.281 348 HB2 ASN 43 HB2 ASN 43 200.918 15.207 1.939 349 HB3 ASN 43 HB1 ASN 43 202.595 15.666 2.222 350 HD21 ASN 43 HD21 ASN 43 201.075 12.996 0.444 351 HD22 ASN 43 HD22 ASN 43 201.870 13.319 -1.055 352 H GLN 44 HN GLN 44 203.419 13.875 4.960 353 HA GLN 44 HA GLN 44 206.008 13.130 3.778 354 HB2 GLN 44 HB2 GLN 44 205.271 15.021 6.007 355 HB3 GLN 44 HB1 GLN 44 206.890 14.363 5.861 356 HG2 GLN 44 HG2 GLN 44 207.429 15.880 4.349 357 HG3 GLN 44 HG1 GLN 44 206.065 15.409 3.337 358 HE21 GLN 44 HE21 GLN 44 203.911 16.268 4.149 359 HE22 GLN 44 HE22 GLN 44 203.892 17.919 4.656 360 H LEU 45 HN LEU 45 203.564 11.866 5.301 361 HA LEU 45 HA LEU 45 205.177 10.282 7.166 362 HB2 LEU 45 HB2 LEU 45 202.299 11.116 7.331 363 HB3 LEU 45 HB1 LEU 45 202.973 9.877 8.329 364 HG LEU 45 HG LEU 45 204.716 12.014 8.661 365 HD11 LEU 45 HD11 LEU 45 202.949 13.381 7.545 366 HD12 LEU 45 HD12 LEU 45 203.398 13.914 9.164 367 HD13 LEU 45 HD13 LEU 45 201.897 13.021 8.912 368 HD21 LEU 45 HD21 LEU 45 203.002 12.098 10.828 369 HD22 LEU 45 HD22 LEU 45 204.425 11.071 10.662 370 HD23 LEU 45 HD23 LEU 45 202.834 10.449 10.226 371 H TRP 46 HN TRP 46 204.904 8.080 7.218 372 HA TRP 46 HA TRP 46 203.200 6.906 5.126 373 HB2 TRP 46 HB2 TRP 46 206.071 6.195 5.725 374 HB3 TRP 46 HB1 TRP 46 205.024 5.350 4.598 375 HD1 TRP 46 HD1 TRP 46 206.122 9.052 5.065 376 HE1 TRP 46 HE1 TRP 46 206.669 10.013 2.741 377 HE3 TRP 46 HE3 TRP 46 205.088 4.933 2.214 378 HZ2 TRP 46 HZ2 TRP 46 206.662 9.145 0.057 379 HZ3 TRP 46 HZ3 TRP 46 205.382 5.085 -0.225 380 HH2 TRP 46 HH2 TRP 46 206.152 7.149 -1.278 381 H TYR 47 HN TYR 47 203.105 4.473 5.368 382 HA TYR 47 HA TYR 47 203.235 3.642 8.167 383 HB2 TYR 47 HB2 TYR 47 201.020 2.898 8.273 384 HB3 TYR 47 HB1 TYR 47 200.889 4.440 7.443 385 HD1 TYR 47 HD2 TYR 47 201.253 0.800 6.666 386 HD2 TYR 47 HD1 TYR 47 199.581 4.546 5.546 387 HE1 TYR 47 HE2 TYR 47 200.011 -0.305 4.855 388 HE2 TYR 47 HE1 TYR 47 198.327 3.452 3.736 389 HH TYR 47 HH TYR 47 198.870 0.114 2.876 390 H THR 48 HN THR 48 203.157 1.247 8.404 391 HA THR 48 HA THR 48 204.402 -0.023 6.063 392 HB THR 48 HB THR 48 205.165 -1.722 7.837 393 HG1 THR 48 HG1 THR 48 205.241 -0.832 9.948 394 HG21 THR 48 HG21 THR 48 206.909 -0.437 7.084 395 HG22 THR 48 HG22 THR 48 206.878 -0.028 8.799 396 HG23 THR 48 HG23 THR 48 206.170 1.073 7.617 397 H ASP 49 HN ASP 49 203.507 -1.753 5.100 398 HA ASP 49 HA ASP 49 200.844 -2.493 5.871 399 HB2 ASP 49 HB2 ASP 49 201.575 -2.304 3.498 400 HB3 ASP 49 HB1 ASP 49 202.599 -3.716 3.732 401 H GLN 50 HN GLN 50 200.185 -4.808 6.016 402 HA GLN 50 HA GLN 50 201.389 -6.062 8.197 403 HB2 GLN 50 HB2 GLN 50 199.611 -7.308 6.093 404 HB3 GLN 50 HB1 GLN 50 199.942 -7.978 7.684 405 HG2 GLN 50 HG2 GLN 50 198.674 -5.286 7.287 406 HG3 GLN 50 HG1 GLN 50 197.743 -6.779 7.400 407 HE21 GLN 50 HE21 GLN 50 198.676 -8.180 9.348 408 HE22 GLN 50 HE22 GLN 50 198.728 -7.320 10.846 409 H GLN 51 HN GLN 51 202.154 -6.218 4.833 410 HA GLN 51 HA GLN 51 203.803 -8.605 5.208 411 HB2 GLN 51 HB2 GLN 51 202.855 -7.097 2.788 412 HB3 GLN 51 HB1 GLN 51 204.179 -8.249 2.675 413 HG2 GLN 51 HG2 GLN 51 202.085 -9.516 4.082 414 HG3 GLN 51 HG1 GLN 51 201.375 -8.730 2.673 415 HE21 GLN 51 HE21 GLN 51 203.218 -8.954 0.767 416 HE22 GLN 51 HE22 GLN 51 203.572 -10.610 0.425 417 H GLY 52 HN GLY 52 204.150 -5.359 5.633 418 HA2 GLY 52 HA2 GLY 52 206.230 -4.422 6.305 419 HA3 GLY 52 HA1 GLY 52 207.052 -5.567 5.258 420 H VAL 53 HN VAL 53 204.448 -4.303 3.583 421 HA VAL 53 HA VAL 53 206.210 -2.618 2.015 422 HB VAL 53 HB VAL 53 203.288 -3.220 1.542 423 HG11 VAL 53 HG11 VAL 53 203.579 -2.390 -0.613 424 HG12 VAL 53 HG12 VAL 53 205.337 -2.499 -0.521 425 HG13 VAL 53 HG13 VAL 53 204.482 -1.255 0.391 426 HG21 VAL 53 HG21 VAL 53 204.516 -4.767 -0.253 427 HG22 VAL 53 HG22 VAL 53 204.075 -5.342 1.355 428 HG23 VAL 53 HG23 VAL 53 205.727 -4.819 1.027 429 H ILE 54 HN ILE 54 206.413 -0.526 2.451 430 HA ILE 54 HA ILE 54 204.574 0.805 4.193 431 HB ILE 54 HB ILE 54 206.041 2.851 3.543 432 HG12 ILE 54 HG12 ILE 54 208.212 0.921 3.018 433 HG13 ILE 54 HG11 ILE 54 207.075 1.158 1.694 434 HG21 ILE 54 HG21 ILE 54 206.394 2.287 5.686 435 HG22 ILE 54 HG22 ILE 54 207.919 1.669 5.052 436 HG23 ILE 54 HG23 ILE 54 206.565 0.570 5.319 437 HD11 ILE 54 HD11 ILE 54 207.505 3.556 1.755 438 HD12 ILE 54 HD12 ILE 54 208.986 2.636 1.492 439 HD13 ILE 54 HD13 ILE 54 208.642 3.319 3.081 440 H ARG 55 HN ARG 55 203.367 2.633 3.757 441 HA ARG 55 HA ARG 55 202.981 3.468 1.000 442 HB2 ARG 55 HB2 ARG 55 200.535 2.752 2.587 443 HB3 ARG 55 HB1 ARG 55 200.697 2.980 0.856 444 HG2 ARG 55 HG2 ARG 55 201.981 0.691 2.316 445 HG3 ARG 55 HG1 ARG 55 200.351 0.613 1.645 446 HD2 ARG 55 HD2 ARG 55 202.496 1.572 -0.154 447 HD3 ARG 55 HD1 ARG 55 202.530 -0.136 0.283 448 HE ARG 55 HE ARG 55 200.666 1.164 -1.459 449 HH11 ARG 55 HH11 ARG 55 201.094 -1.518 0.732 450 HH12 ARG 55 HH12 ARG 55 199.868 -2.486 -0.015 451 HH21 ARG 55 HH21 ARG 55 199.054 -0.108 -2.444 452 HH22 ARG 55 HH22 ARG 55 198.710 -1.686 -1.819 453 H SER 56 HN SER 56 202.585 5.612 0.888 454 HA SER 56 HA SER 56 202.800 7.157 3.253 455 HB2 SER 56 HB2 SER 56 203.138 7.621 0.525 456 HB3 SER 56 HB1 SER 56 201.808 8.677 0.998 457 HG SER 56 HG SER 56 203.189 9.896 1.984 458 H LYS 57 HN LYS 57 201.256 9.215 3.268 459 HA LYS 57 HA LYS 57 198.967 8.550 4.590 460 HB2 LYS 57 HB2 LYS 57 198.245 10.812 4.306 461 HB3 LYS 57 HB1 LYS 57 199.996 10.811 4.442 462 HG2 LYS 57 HG2 LYS 57 200.311 11.410 2.249 463 HG3 LYS 57 HG1 LYS 57 198.752 10.763 1.735 464 HD2 LYS 57 HD2 LYS 57 197.656 12.595 3.041 465 HD3 LYS 57 HD1 LYS 57 199.259 13.283 3.311 466 HE2 LYS 57 HE2 LYS 57 199.485 13.959 1.146 467 HE3 LYS 57 HE1 LYS 57 198.490 12.646 0.518 468 HZ1 LYS 57 HZ1 LYS 57 197.078 14.384 0.231 469 HZ2 LYS 57 HZ2 LYS 57 197.685 15.264 1.541 470 HZ3 LYS 57 HZ3 LYS 57 196.637 13.965 1.810 471 H LEU 58 HN LEU 58 199.470 8.480 1.177 472 HA LEU 58 HA LEU 58 196.953 8.847 0.132 473 HB2 LEU 58 HB2 LEU 58 199.064 6.865 -0.693 474 HB3 LEU 58 HB1 LEU 58 197.651 7.244 -1.658 475 HG LEU 58 HG LEU 58 199.199 8.603 -2.660 476 HD11 LEU 58 HD11 LEU 58 198.771 10.848 -2.113 477 HD12 LEU 58 HD12 LEU 58 198.501 10.469 -0.412 478 HD13 LEU 58 HD13 LEU 58 197.323 9.968 -1.625 479 HD21 LEU 58 HD21 LEU 58 200.829 7.940 -0.650 480 HD22 LEU 58 HD22 LEU 58 200.533 9.626 -0.229 481 HD23 LEU 58 HD23 LEU 58 201.203 9.216 -1.808 482 H ASN 59 HN ASN 59 198.028 6.285 2.164 483 HA ASN 59 HA ASN 59 196.677 4.823 3.340 484 HB2 ASN 59 HB2 ASN 59 194.678 6.168 2.398 485 HB3 ASN 59 HB1 ASN 59 194.582 4.894 1.186 486 HD21 ASN 59 HD21 ASN 59 193.647 3.011 1.697 487 HD22 ASN 59 HD22 ASN 59 193.034 2.609 3.262 488 H ASP 60 HN ASP 60 197.070 4.575 -0.150 489 HA ASP 60 HA ASP 60 198.087 1.896 0.184 490 HB2 ASP 60 HB2 ASP 60 196.540 0.880 -1.464 491 HB3 ASP 60 HB1 ASP 60 195.716 1.405 0.001 492 H PHE 61 HN PHE 61 199.718 3.715 -0.534 493 HA PHE 61 HA PHE 61 200.149 3.266 -3.383 494 HB2 PHE 61 HB2 PHE 61 199.644 5.888 -2.128 495 HB3 PHE 61 HB1 PHE 61 201.030 5.830 -3.209 496 HD1 PHE 61 HD1 PHE 61 197.461 4.755 -3.094 497 HD2 PHE 61 HD2 PHE 61 200.682 6.254 -5.436 498 HE1 PHE 61 HE1 PHE 61 195.954 4.957 -5.028 499 HE2 PHE 61 HE2 PHE 61 199.181 6.462 -7.374 500 HZ PHE 61 HZ PHE 61 196.813 5.813 -7.171 501 H ALA 62 HN ALA 62 202.033 2.301 -3.496 502 HA ALA 62 HA ALA 62 204.122 2.951 -1.538 503 HB1 ALA 62 HB1 ALA 62 203.861 0.665 -1.467 504 HB2 ALA 62 HB2 ALA 62 205.171 0.825 -2.636 505 HB3 ALA 62 HB3 ALA 62 203.522 0.541 -3.193 506 H ILE 63 HN ILE 63 206.271 3.342 -2.211 507 HA ILE 63 HA ILE 63 206.451 4.835 -4.667 508 HB ILE 63 HB ILE 63 208.954 4.200 -3.224 509 HG12 ILE 63 HG12 ILE 63 207.945 6.333 -1.742 510 HG13 ILE 63 HG11 ILE 63 206.613 5.184 -1.794 511 HG21 ILE 63 HG21 ILE 63 207.717 6.756 -4.232 512 HG22 ILE 63 HG22 ILE 63 208.905 5.764 -5.073 513 HG23 ILE 63 HG23 ILE 63 209.346 6.590 -3.580 514 HD11 ILE 63 HD11 ILE 63 207.845 4.668 0.134 515 HD12 ILE 63 HD12 ILE 63 209.382 4.776 -0.723 516 HD13 ILE 63 HD13 ILE 63 208.283 3.436 -1.049 517 H ASP 64 HN ASP 64 207.891 4.402 -6.407 518 HA ASP 64 HA ASP 64 208.888 1.648 -6.514 519 HB2 ASP 64 HB2 ASP 64 208.075 1.331 -8.744 520 HB3 ASP 64 HB1 ASP 64 206.732 1.857 -7.739 521 H ALA 65 HN ALA 65 210.877 1.424 -7.195 522 HA ALA 65 HA ALA 65 212.300 3.801 -8.168 523 HB1 ALA 65 HB1 ALA 65 213.613 2.991 -6.504 524 HB2 ALA 65 HB2 ALA 65 214.297 2.086 -7.853 525 HB3 ALA 65 HB3 ALA 65 213.127 1.319 -6.780 526 H SER 66 HN SER 66 210.578 2.649 -10.025 527 HA SER 66 HA SER 66 211.977 0.870 -11.772 528 HB2 SER 66 HB2 SER 66 209.531 2.578 -12.283 529 HB3 SER 66 HB1 SER 66 210.112 1.286 -13.333 530 HG SER 66 HG SER 66 209.656 -0.196 -11.738 531 H HIS 67 HN HIS 67 211.296 4.345 -11.805 532 HA HIS 67 HA HIS 67 212.975 4.683 -14.166 533 HB2 HIS 67 HB2 HIS 67 211.216 6.610 -12.644 534 HB3 HIS 67 HB1 HIS 67 212.176 7.048 -14.047 535 HD1 HIS 67 HD1 HIS 67 208.876 6.686 -13.477 536 HD2 HIS 67 HD2 HIS 67 211.400 4.657 -16.081 537 HE1 HIS 67 HE1 HIS 67 207.380 5.740 -15.263 538 HE2 HIS 67 HE2 HIS 67 208.939 4.588 -16.873 539 H GLU 68 HN GLU 68 214.424 6.706 -14.106 540 HA GLU 68 HA GLU 68 216.542 6.329 -12.411 541 HB2 GLU 68 HB2 GLU 68 215.759 9.036 -13.487 542 HB3 GLU 68 HB1 GLU 68 217.377 8.457 -13.117 543 HG2 GLU 68 HG2 GLU 68 216.991 6.710 -14.924 544 HG3 GLU 68 HG1 GLU 68 215.591 7.673 -15.394 545 H GLN 69 HN GLN 69 213.819 8.549 -11.973 546 HA GLN 69 HA GLN 69 214.740 9.096 -9.244 547 HB2 GLN 69 HB2 GLN 69 212.433 10.642 -9.893 548 HB3 GLN 69 HB1 GLN 69 214.071 11.196 -9.600 549 HG2 GLN 69 HG2 GLN 69 213.832 12.033 -11.671 550 HG3 GLN 69 HG1 GLN 69 214.347 10.417 -12.141 551 HE21 GLN 69 HE21 GLN 69 211.957 9.056 -11.525 552 HE22 GLN 69 HE22 GLN 69 210.753 9.546 -12.661 553 H ILE 70 HN ILE 70 213.390 8.699 -7.473 554 HA ILE 70 HA ILE 70 211.534 6.553 -7.878 555 HB ILE 70 HB ILE 70 211.682 7.914 -5.231 556 HG12 ILE 70 HG12 ILE 70 214.006 7.917 -5.929 557 HG13 ILE 70 HG11 ILE 70 213.761 6.665 -4.718 558 HG21 ILE 70 HG21 ILE 70 212.060 5.017 -5.532 559 HG22 ILE 70 HG22 ILE 70 210.519 5.634 -6.123 560 HG23 ILE 70 HG23 ILE 70 210.999 5.917 -4.450 561 HD11 ILE 70 HD11 ILE 70 214.926 6.391 -7.237 562 HD12 ILE 70 HD12 ILE 70 213.357 5.593 -7.347 563 HD13 ILE 70 HD13 ILE 70 214.507 5.110 -6.101 564 H GLU 71 HN GLU 71 209.387 6.488 -7.557 565 HA GLU 71 HA GLU 71 207.922 8.962 -7.031 566 HB2 GLU 71 HB2 GLU 71 206.386 8.329 -9.011 567 HB3 GLU 71 HB1 GLU 71 207.907 9.139 -9.355 568 HG2 GLU 71 HG2 GLU 71 207.893 6.175 -9.361 569 HG3 GLU 71 HG1 GLU 71 207.100 7.010 -10.697 570 H THR 72 HN THR 72 205.525 8.519 -6.866 571 HA THR 72 HA THR 72 205.142 5.952 -5.493 572 HB THR 72 HB THR 72 203.309 7.085 -4.286 573 HG1 THR 72 HG1 THR 72 204.207 9.418 -5.621 574 HG21 THR 72 HG21 THR 72 204.980 9.073 -3.441 575 HG22 THR 72 HG22 THR 72 206.101 7.883 -4.099 576 HG23 THR 72 HG23 THR 72 204.962 7.418 -2.836 577 H GLN 73 HN GLN 73 203.461 4.624 -5.985 578 HA GLN 73 HA GLN 73 201.289 5.408 -7.673 579 HB2 GLN 73 HB2 GLN 73 202.405 3.216 -9.116 580 HB3 GLN 73 HB1 GLN 73 202.066 4.841 -9.691 581 HG2 GLN 73 HG2 GLN 73 204.261 5.579 -9.117 582 HG3 GLN 73 HG1 GLN 73 204.608 4.064 -8.285 583 HE21 GLN 73 HE21 GLN 73 205.937 5.416 -10.556 584 HE22 GLN 73 HE22 GLN 73 205.986 4.242 -11.822 585 HA PRO 74 HA PRO 74 199.140 2.022 -5.855 586 HB2 PRO 74 HB2 PRO 74 198.667 0.870 -8.563 587 HB3 PRO 74 HB1 PRO 74 197.507 1.258 -7.287 588 HG2 PRO 74 HG2 PRO 74 197.734 2.818 -9.431 589 HG3 PRO 74 HG1 PRO 74 197.473 3.516 -7.821 590 HD2 PRO 74 HD2 PRO 74 199.972 3.385 -9.451 591 HD3 PRO 74 HD1 PRO 74 199.396 4.669 -8.370 592 H PHE 75 HN PHE 75 199.730 0.095 -4.984 593 HA PHE 75 HA PHE 75 202.204 -1.059 -5.601 594 HB2 PHE 75 HB2 PHE 75 200.940 -1.200 -3.411 595 HB3 PHE 75 HB1 PHE 75 199.942 -2.442 -4.158 596 HD1 PHE 75 HD1 PHE 75 203.341 -1.606 -3.026 597 HD2 PHE 75 HD2 PHE 75 200.741 -4.659 -4.449 598 HE1 PHE 75 HE1 PHE 75 205.004 -3.308 -2.399 599 HE2 PHE 75 HE2 PHE 75 202.398 -6.367 -3.824 600 HZ PHE 75 HZ PHE 75 204.533 -5.692 -2.798 601 H ASP 76 HN ASP 76 202.831 -2.655 -6.930 602 HA ASP 76 HA ASP 76 200.742 -4.137 -8.384 603 HB2 ASP 76 HB2 ASP 76 203.085 -2.624 -9.394 604 HB3 ASP 76 HB1 ASP 76 202.753 -4.168 -10.174 605 HA PRO 77 HA PRO 77 202.850 -7.695 -6.770 606 HB2 PRO 77 HB2 PRO 77 201.755 -9.586 -8.383 607 HB3 PRO 77 HB1 PRO 77 200.880 -8.838 -7.042 608 HG2 PRO 77 HG2 PRO 77 200.769 -8.202 -9.966 609 HG3 PRO 77 HG1 PRO 77 199.439 -8.343 -8.800 610 HD2 PRO 77 HD2 PRO 77 200.432 -5.953 -9.580 611 HD3 PRO 77 HD1 PRO 77 199.799 -6.230 -7.944 612 H ASN 78 HN ASN 78 202.776 -7.125 -10.262 613 HA ASN 78 HA ASN 78 205.072 -8.839 -10.693 614 HB2 ASN 78 HB2 ASN 78 203.180 -7.329 -12.434 615 HB3 ASN 78 HB1 ASN 78 204.763 -7.737 -13.086 616 HD21 ASN 78 HD21 ASN 78 201.839 -8.680 -13.417 617 HD22 ASN 78 HD22 ASN 78 201.990 -10.401 -13.440 618 H ASN 79 HN ASN 79 204.759 -5.788 -9.509 619 HA ASN 79 HA ASN 79 207.168 -4.795 -10.867 620 HB2 ASN 79 HB2 ASN 79 204.745 -3.531 -10.037 621 HB3 ASN 79 HB1 ASN 79 206.079 -2.812 -9.142 622 HD21 ASN 79 HD21 ASN 79 204.939 -3.609 -12.373 623 HD22 ASN 79 HD22 ASN 79 205.799 -2.351 -13.186 624 HA PRO 80 HA PRO 80 209.016 -5.976 -6.890 625 HB2 PRO 80 HB2 PRO 80 211.522 -6.290 -7.787 626 HB3 PRO 80 HB1 PRO 80 210.270 -7.507 -8.064 627 HG2 PRO 80 HG2 PRO 80 211.314 -5.409 -9.915 628 HG3 PRO 80 HG1 PRO 80 210.924 -7.104 -10.250 629 HD2 PRO 80 HD2 PRO 80 209.263 -5.009 -10.850 630 HD3 PRO 80 HD1 PRO 80 208.696 -6.661 -10.533 631 H LYS 81 HN LYS 81 208.728 -3.145 -8.153 632 HA LYS 81 HA LYS 81 210.989 -1.921 -6.748 633 HB2 LYS 81 HB2 LYS 81 209.438 -1.044 -9.175 634 HB3 LYS 81 HB1 LYS 81 210.491 0.036 -8.284 635 HG2 LYS 81 HG2 LYS 81 211.961 -0.658 -9.853 636 HG3 LYS 81 HG1 LYS 81 212.212 -1.941 -8.667 637 HD2 LYS 81 HD2 LYS 81 210.982 -3.482 -9.887 638 HD3 LYS 81 HD1 LYS 81 210.128 -2.232 -10.793 639 HE2 LYS 81 HE2 LYS 81 211.881 -1.896 -12.244 640 HE3 LYS 81 HE1 LYS 81 213.085 -2.469 -11.089 641 HZ1 LYS 81 HZ1 LYS 81 211.104 -4.214 -12.448 642 HZ2 LYS 81 HZ2 LYS 81 212.379 -4.714 -11.454 643 HZ3 LYS 81 HZ3 LYS 81 212.705 -4.008 -12.956 644 H ARG 82 HN ARG 82 207.569 -2.221 -6.989 645 HA ARG 82 HA ARG 82 206.980 0.212 -5.531 646 HB2 ARG 82 HB2 ARG 82 205.363 -1.927 -6.839 647 HB3 ARG 82 HB1 ARG 82 204.608 -0.890 -5.637 648 HG2 ARG 82 HG2 ARG 82 205.190 1.075 -6.934 649 HG3 ARG 82 HG1 ARG 82 205.995 0.060 -8.132 650 HD2 ARG 82 HD2 ARG 82 203.316 -0.870 -7.660 651 HD3 ARG 82 HD1 ARG 82 203.310 0.844 -8.072 652 HE ARG 82 HE ARG 82 204.914 -0.825 -9.802 653 HH11 ARG 82 HH11 ARG 82 201.779 0.610 -9.249 654 HH12 ARG 82 HH12 ARG 82 201.308 0.520 -10.912 655 HH21 ARG 82 HH21 ARG 82 204.293 -0.943 -11.988 656 HH22 ARG 82 HH22 ARG 82 202.733 -0.363 -12.466 657 H ALA 83 HN ALA 83 208.454 -2.185 -4.309 658 HA ALA 83 HA ALA 83 206.737 -2.351 -1.919 659 HB1 ALA 83 HB1 ALA 83 208.398 -4.668 -2.073 660 HB2 ALA 83 HB2 ALA 83 207.481 -4.508 -3.570 661 HB3 ALA 83 HB3 ALA 83 206.639 -4.563 -2.022 662 H TRP 84 HN TRP 84 207.794 -0.892 -0.673 663 HA TRP 84 HA TRP 84 210.690 -1.273 -0.331 664 HB2 TRP 84 HB2 TRP 84 208.952 1.143 0.182 665 HB3 TRP 84 HB1 TRP 84 210.677 1.058 0.534 666 HD1 TRP 84 HD1 TRP 84 208.309 0.778 -2.524 667 HE1 TRP 84 HE1 TRP 84 209.598 1.590 -4.599 668 HE3 TRP 84 HE3 TRP 84 212.862 1.593 -0.368 669 HZ2 TRP 84 HZ2 TRP 84 212.196 2.480 -5.223 670 HZ3 TRP 84 HZ3 TRP 84 214.696 2.425 -1.770 671 HH2 TRP 84 HH2 TRP 84 214.370 2.858 -4.150 672 H ILE 85 HN ILE 85 211.559 -1.728 1.574 673 HA ILE 85 HA ILE 85 209.735 -1.978 3.884 674 HB ILE 85 HB ILE 85 211.198 -3.741 4.744 675 HG12 ILE 85 HG12 ILE 85 212.740 -4.588 2.623 676 HG13 ILE 85 HG11 ILE 85 212.904 -2.837 2.536 677 HG21 ILE 85 HG21 ILE 85 210.865 -5.289 2.562 678 HG22 ILE 85 HG22 ILE 85 209.789 -3.948 2.168 679 HG23 ILE 85 HG23 ILE 85 209.562 -4.851 3.666 680 HD11 ILE 85 HD11 ILE 85 213.224 -3.450 5.228 681 HD12 ILE 85 HD12 ILE 85 214.483 -3.008 4.075 682 HD13 ILE 85 HD13 ILE 85 214.105 -4.707 4.359 683 H VAL 86 HN VAL 86 210.629 -1.490 5.998 684 HA VAL 86 HA VAL 86 212.700 0.574 5.817 685 HB VAL 86 HB VAL 86 211.002 0.044 8.239 686 HG11 VAL 86 HG11 VAL 86 211.826 2.760 7.446 687 HG12 VAL 86 HG12 VAL 86 213.125 1.665 7.921 688 HG13 VAL 86 HG13 VAL 86 211.800 1.997 9.036 689 HG21 VAL 86 HG21 VAL 86 209.224 0.464 6.903 690 HG22 VAL 86 HG22 VAL 86 210.203 1.256 5.667 691 HG23 VAL 86 HG23 VAL 86 209.739 2.136 7.123 692 H SER 87 HN SER 87 214.665 0.212 6.557 693 HA SER 87 HA SER 87 215.082 -2.023 8.432 694 HB2 SER 87 HB2 SER 87 216.121 -2.659 6.395 695 HB3 SER 87 HB1 SER 87 216.785 -1.046 6.140 696 HG SER 87 HG SER 87 217.515 -2.786 8.260 697 H GLY 88 HN GLY 88 215.008 -0.830 10.321 698 HA2 GLY 88 HA2 GLY 88 215.953 0.381 12.032 699 HA3 GLY 88 HA1 GLY 88 217.398 0.534 11.045 700 H ASN 89 HN ASN 89 217.792 2.391 9.981 701 HA ASN 89 HA ASN 89 215.772 4.520 10.225 702 HB2 ASN 89 HB2 ASN 89 217.588 6.098 10.552 703 HB3 ASN 89 HB1 ASN 89 217.731 4.799 11.732 704 HD21 ASN 89 HD21 ASN 89 218.877 5.749 8.504 705 HD22 ASN 89 HD22 ASN 89 220.455 5.073 8.681 706 H THR 90 HN THR 90 216.241 2.664 7.972 707 HA THR 90 HA THR 90 216.619 4.706 5.939 708 HB THR 90 HB THR 90 218.033 2.760 4.765 709 HG1 THR 90 HG1 THR 90 218.730 2.569 7.500 710 HG21 THR 90 HG21 THR 90 220.017 3.974 6.238 711 HG22 THR 90 HG22 THR 90 218.724 5.172 6.196 712 HG23 THR 90 HG23 THR 90 219.374 4.523 4.691 713 H ILE 91 HN ILE 91 215.677 4.288 3.984 714 HA ILE 91 HA ILE 91 213.660 2.164 3.991 715 HB ILE 91 HB ILE 91 213.983 4.296 1.879 716 HG12 ILE 91 HG12 ILE 91 213.846 5.481 3.991 717 HG13 ILE 91 HG11 ILE 91 212.303 5.622 3.153 718 HG21 ILE 91 HG21 ILE 91 212.434 2.827 1.067 719 HG22 ILE 91 HG22 ILE 91 211.376 3.884 2.001 720 HG23 ILE 91 HG23 ILE 91 211.891 2.336 2.671 721 HD11 ILE 91 HD11 ILE 91 212.990 4.038 5.589 722 HD12 ILE 91 HD12 ILE 91 211.602 3.602 4.593 723 HD13 ILE 91 HD13 ILE 91 211.685 5.198 5.337 724 H ALA 92 HN ALA 92 214.090 0.302 2.984 725 HA ALA 92 HA ALA 92 216.052 0.366 0.781 726 HB1 ALA 92 HB1 ALA 92 216.523 -0.824 3.130 727 HB2 ALA 92 HB2 ALA 92 217.171 -1.424 1.603 728 HB3 ALA 92 HB3 ALA 92 215.724 -2.155 2.295 729 H GLN 93 HN GLN 93 215.712 -0.897 -0.999 730 HA GLN 93 HA GLN 93 213.048 -1.443 -1.754 731 HB2 GLN 93 HB2 GLN 93 215.248 -0.939 -3.120 732 HB3 GLN 93 HB1 GLN 93 215.373 -2.690 -3.150 733 HG2 GLN 93 HG2 GLN 93 214.101 -2.621 -4.957 734 HG3 GLN 93 HG1 GLN 93 212.762 -2.236 -3.876 735 HE21 GLN 93 HE21 GLN 93 215.522 -0.217 -4.747 736 HE22 GLN 93 HE22 GLN 93 214.600 1.034 -5.497 737 H LEU 94 HN LEU 94 212.010 -3.394 -2.155 738 HA LEU 94 HA LEU 94 212.406 -5.445 -0.296 739 HB2 LEU 94 HB2 LEU 94 210.635 -6.616 -1.354 740 HB3 LEU 94 HB1 LEU 94 210.248 -4.914 -1.424 741 HG LEU 94 HG LEU 94 211.393 -6.462 -3.751 742 HD11 LEU 94 HD11 LEU 94 208.730 -6.466 -2.674 743 HD12 LEU 94 HD12 LEU 94 209.409 -7.395 -4.009 744 HD13 LEU 94 HD13 LEU 94 208.752 -5.785 -4.301 745 HD21 LEU 94 HD21 LEU 94 210.022 -4.366 -4.788 746 HD22 LEU 94 HD22 LEU 94 211.755 -4.352 -4.471 747 HD23 LEU 94 HD23 LEU 94 210.641 -3.656 -3.305 748 H SER 95 HN SER 95 212.967 -5.577 -3.831 749 HA SER 95 HA SER 95 214.295 -8.097 -3.635 750 HB2 SER 95 HB2 SER 95 212.993 -6.868 -5.643 751 HB3 SER 95 HB1 SER 95 214.653 -6.469 -6.083 752 HG SER 95 HG SER 95 214.041 -8.441 -7.008 753 H ASP 96 HN ASP 96 215.378 -5.059 -2.859 754 HA ASP 96 HA ASP 96 218.148 -5.925 -3.225 755 HB2 ASP 96 HB2 ASP 96 217.074 -3.194 -3.955 756 HB3 ASP 96 HB1 ASP 96 218.785 -3.597 -3.857 757 H ARG 97 HN ARG 97 218.145 -6.428 -1.002 758 HA ARG 97 HA ARG 97 217.444 -4.557 1.009 759 HB2 ARG 97 HB2 ARG 97 219.053 -7.100 0.987 760 HB3 ARG 97 HB1 ARG 97 218.910 -6.126 2.442 761 HG2 ARG 97 HG2 ARG 97 216.390 -6.809 1.067 762 HG3 ARG 97 HG1 ARG 97 217.253 -8.134 1.850 763 HD2 ARG 97 HD2 ARG 97 217.202 -7.014 3.959 764 HD3 ARG 97 HD1 ARG 97 216.580 -5.538 3.221 765 HE ARG 97 HE ARG 97 214.684 -7.366 2.620 766 HH11 ARG 97 HH11 ARG 97 216.229 -6.436 5.608 767 HH12 ARG 97 HH12 ARG 97 214.849 -6.813 6.584 768 HH21 ARG 97 HH21 ARG 97 212.868 -7.862 3.902 769 HH22 ARG 97 HH22 ARG 97 212.941 -7.622 5.616 770 H ASP 98 HN ASP 98 220.134 -4.894 -1.057 771 HA ASP 98 HA ASP 98 221.921 -3.373 0.681 772 HB2 ASP 98 HB2 ASP 98 222.360 -4.553 -2.072 773 HB3 ASP 98 HB1 ASP 98 223.589 -3.724 -1.121 774 H ILE 99 HN ILE 99 219.389 -2.503 -0.944 775 HA ILE 99 HA ILE 99 220.589 -0.038 -2.011 776 HB ILE 99 HB ILE 99 218.395 -1.748 -3.155 777 HG12 ILE 99 HG12 ILE 99 220.779 -1.976 -3.906 778 HG13 ILE 99 HG11 ILE 99 219.651 -1.563 -5.193 779 HG21 ILE 99 HG21 ILE 99 218.130 0.300 -4.765 780 HG22 ILE 99 HG22 ILE 99 218.681 1.210 -3.358 781 HG23 ILE 99 HG23 ILE 99 217.225 0.221 -3.254 782 HD11 ILE 99 HD11 ILE 99 220.355 0.773 -5.049 783 HD12 ILE 99 HD12 ILE 99 221.706 -0.303 -5.402 784 HD13 ILE 99 HD13 ILE 99 221.497 0.344 -3.775 785 H VAL 100 HN VAL 100 219.788 1.796 -1.144 786 HA VAL 100 HA VAL 100 217.141 1.785 0.070 787 HB VAL 100 HB VAL 100 217.938 2.821 2.150 788 HG11 VAL 100 HG11 VAL 100 218.391 0.050 1.402 789 HG12 VAL 100 HG12 VAL 100 217.609 0.728 2.825 790 HG13 VAL 100 HG13 VAL 100 219.363 0.563 2.776 791 HG21 VAL 100 HG21 VAL 100 220.352 2.582 2.738 792 HG22 VAL 100 HG22 VAL 100 220.028 3.749 1.455 793 HG23 VAL 100 HG23 VAL 100 220.662 2.152 1.055 794 H LEU 101 HN LEU 101 216.113 3.705 -0.067 795 HA LEU 101 HA LEU 101 216.878 5.662 -1.808 796 HB2 LEU 101 HB2 LEU 101 215.218 6.146 0.651 797 HB3 LEU 101 HB1 LEU 101 215.224 7.113 -0.799 798 HG LEU 101 HG LEU 101 214.494 4.240 -0.983 799 HD11 LEU 101 HD11 LEU 101 213.197 5.772 0.831 800 HD12 LEU 101 HD12 LEU 101 212.452 4.449 -0.066 801 HD13 LEU 101 HD13 LEU 101 212.260 6.110 -0.625 802 HD21 LEU 101 HD21 LEU 101 214.481 5.025 -3.101 803 HD22 LEU 101 HD22 LEU 101 214.211 6.693 -2.594 804 HD23 LEU 101 HD23 LEU 101 212.862 5.558 -2.646 805 H ASP 102 HN ASP 102 217.540 7.778 -1.632 806 HA ASP 102 HA ASP 102 218.918 8.685 0.731 807 HB2 ASP 102 HB2 ASP 102 220.489 7.083 -0.228 808 HB3 ASP 102 HB1 ASP 102 220.386 7.890 -1.784 809 H ILE 103 HN ILE 103 220.088 10.807 0.214 810 HA ILE 103 HA ILE 103 218.313 12.431 -1.416 811 HB ILE 103 HB ILE 103 220.677 13.315 0.241 812 HG12 ILE 103 HG12 ILE 103 218.445 14.144 1.581 813 HG13 ILE 103 HG11 ILE 103 217.911 12.590 0.949 814 HG21 ILE 103 HG21 ILE 103 219.854 15.522 0.022 815 HG22 ILE 103 HG22 ILE 103 218.342 14.965 -0.694 816 HG23 ILE 103 HG23 ILE 103 219.848 14.834 -1.602 817 HD11 ILE 103 HD11 ILE 103 219.372 13.036 3.249 818 HD12 ILE 103 HD12 ILE 103 220.552 12.416 2.095 819 HD13 ILE 103 HD13 ILE 103 219.097 11.488 2.454 820 H ILE 104 HN ILE 104 218.754 12.997 -3.478 821 HA ILE 104 HA ILE 104 221.073 12.097 -4.791 822 HB ILE 104 HB ILE 104 218.959 12.502 -5.962 823 HG12 ILE 104 HG12 ILE 104 220.554 14.391 -7.482 824 HG13 ILE 104 HG11 ILE 104 221.541 13.067 -6.872 825 HG21 ILE 104 HG21 ILE 104 217.917 14.506 -6.138 826 HG22 ILE 104 HG22 ILE 104 219.428 15.416 -6.132 827 HG23 ILE 104 HG23 ILE 104 218.763 14.801 -4.619 828 HD11 ILE 104 HD11 ILE 104 219.560 13.098 -8.993 829 HD12 ILE 104 HD12 ILE 104 219.328 11.777 -7.848 830 HD13 ILE 104 HD13 ILE 104 220.873 11.963 -8.679 831 H LYS 105 HN LYS 105 222.941 13.046 -5.356 832 HA LYS 105 HA LYS 105 224.762 14.397 -5.097 833 HB2 LYS 105 HB2 LYS 105 222.742 16.602 -5.518 834 HB3 LYS 105 HB1 LYS 105 224.465 16.668 -5.860 835 HG2 LYS 105 HG2 LYS 105 224.275 15.285 -7.722 836 HG3 LYS 105 HG1 LYS 105 222.701 14.667 -7.217 837 HD2 LYS 105 HD2 LYS 105 221.595 16.619 -7.856 838 HD3 LYS 105 HD1 LYS 105 223.082 17.570 -7.861 839 HE2 LYS 105 HE2 LYS 105 222.672 17.269 -10.119 840 HE3 LYS 105 HE1 LYS 105 223.811 15.971 -9.761 841 HZ1 LYS 105 HZ1 LYS 105 222.259 14.396 -10.100 842 HZ2 LYS 105 HZ2 LYS 105 221.518 15.591 -11.041 843 HZ3 LYS 105 HZ3 LYS 105 220.995 15.319 -9.455 844 H SER 106 HN SER 106 223.144 13.825 -2.639 845 HA SER 106 HA SER 106 222.917 14.516 -0.472 846 HB2 SER 106 HB2 SER 106 225.307 13.919 -0.622 847 HB3 SER 106 HB1 SER 106 225.691 15.585 -1.052 848 HG SER 106 HG SER 106 225.972 15.597 1.080 849 H ASP 107 HN ASP 107 224.893 17.153 -0.106 850 HA ASP 107 HA ASP 107 224.534 19.367 0.227 851 HB2 ASP 107 HB2 ASP 107 222.647 18.912 -2.085 852 HB3 ASP 107 HB1 ASP 107 222.960 20.504 -1.401 853 H LYS 108 HN LYS 108 223.187 20.830 1.321 854 HA LYS 108 HA LYS 108 221.077 19.558 2.837 855 HB2 LYS 108 HB2 LYS 108 222.910 21.685 3.256 856 HB3 LYS 108 HB1 LYS 108 221.293 22.359 3.395 857 HG2 LYS 108 HG2 LYS 108 221.949 21.693 5.563 858 HG3 LYS 108 HG1 LYS 108 220.768 20.506 5.006 859 HD2 LYS 108 HD2 LYS 108 222.239 18.853 5.246 860 HD3 LYS 108 HD1 LYS 108 223.416 19.695 4.237 861 HE2 LYS 108 HE2 LYS 108 223.962 21.080 6.296 862 HE3 LYS 108 HE1 LYS 108 223.024 19.901 7.212 863 HZ1 LYS 108 HZ1 LYS 108 225.328 19.183 5.487 864 HZ2 LYS 108 HZ2 LYS 108 224.516 18.181 6.581 865 HZ3 LYS 108 HZ3 LYS 108 225.456 19.468 7.150 866 H GLU 109 HN GLU 109 221.280 21.390 0.005 867 HA GLU 109 HA GLU 109 219.150 23.090 -0.046 868 HB2 GLU 109 HB2 GLU 109 218.956 22.601 -2.463 869 HB3 GLU 109 HB1 GLU 109 220.621 22.836 -1.950 870 HG2 GLU 109 HG2 GLU 109 220.837 20.344 -1.827 871 HG3 GLU 109 HG1 GLU 109 219.247 20.240 -2.583 872 H ALA 110 HN ALA 110 216.969 22.982 -0.140 873 HA ALA 110 HA ALA 110 215.748 20.397 0.400 874 HB1 ALA 110 HB1 ALA 110 213.694 21.778 0.809 875 HB2 ALA 110 HB2 ALA 110 214.676 23.210 0.498 876 HB3 ALA 110 HB3 ALA 110 215.064 22.152 1.855 877 H GLY 111 HN GLY 111 213.696 19.814 -0.683 878 HA2 GLY 111 HA2 GLY 111 212.379 19.486 -2.543 879 HA3 GLY 111 HA1 GLY 111 213.043 20.967 -3.219 880 H ALA 112 HN ALA 112 215.326 18.629 -2.190 881 HA ALA 112 HA ALA 112 216.157 18.210 -4.930 882 HB1 ALA 112 HB1 ALA 112 217.679 18.639 -2.891 883 HB2 ALA 112 HB2 ALA 112 218.171 17.428 -4.075 884 HB3 ALA 112 HB3 ALA 112 217.443 16.925 -2.550 885 H HIS 113 HN HIS 113 215.993 16.368 -6.078 886 HA HIS 113 HA HIS 113 214.030 14.479 -5.431 887 HB2 HIS 113 HB2 HIS 113 216.062 14.800 -7.561 888 HB3 HIS 113 HB1 HIS 113 215.466 13.163 -7.307 889 HD1 HIS 113 HD1 HIS 113 214.810 15.921 -9.358 890 HD2 HIS 113 HD2 HIS 113 212.381 13.359 -7.167 891 HE1 HIS 113 HE1 HIS 113 212.526 16.114 -10.391 892 HE2 HIS 113 HE2 HIS 113 211.094 14.487 -9.106 893 H ILE 114 HN ILE 114 214.511 12.053 -5.475 894 HA ILE 114 HA ILE 114 216.916 11.354 -3.987 895 HB ILE 114 HB ILE 114 215.282 9.843 -2.596 896 HG12 ILE 114 HG12 ILE 114 213.549 12.163 -3.436 897 HG13 ILE 114 HG11 ILE 114 213.207 10.445 -3.613 898 HG21 ILE 114 HG21 ILE 114 216.221 11.073 -1.003 899 HG22 ILE 114 HG22 ILE 114 215.057 12.361 -1.311 900 HG23 ILE 114 HG23 ILE 114 216.587 12.330 -2.184 901 HD11 ILE 114 HD11 ILE 114 212.047 10.602 -1.735 902 HD12 ILE 114 HD12 ILE 114 212.672 12.218 -1.406 903 HD13 ILE 114 HD13 ILE 114 213.583 10.798 -0.892 904 H CYS 115 HN CYS 115 217.246 8.970 -3.875 905 HA CYS 115 HA CYS 115 215.719 7.330 -5.655 906 HB2 CYS 115 HB2 CYS 115 217.687 6.744 -7.064 907 HB3 CYS 115 HB1 CYS 115 217.135 8.399 -7.294 908 HG CYS 115 HG CYS 115 219.324 8.518 -5.320 909 H ALA 116 HN ALA 116 216.919 5.082 -5.800 910 HA ALA 116 HA ALA 116 217.737 4.463 -3.061 911 HB1 ALA 116 HB1 ALA 116 216.723 2.485 -3.320 912 HB2 ALA 116 HB2 ALA 116 217.457 2.221 -4.903 913 HB3 ALA 116 HB3 ALA 116 215.999 3.195 -4.761 914 H TRP 117 HN TRP 117 219.789 3.982 -2.579 915 HA TRP 117 HA TRP 117 221.572 3.197 -4.768 916 HB2 TRP 117 HB2 TRP 117 221.913 5.575 -4.493 917 HB3 TRP 117 HB1 TRP 117 222.175 5.374 -2.768 918 HD1 TRP 117 HD1 TRP 117 224.597 4.843 -1.986 919 HE1 TRP 117 HE1 TRP 117 226.844 4.509 -3.198 920 HE3 TRP 117 HE3 TRP 117 222.894 4.582 -6.800 921 HZ2 TRP 117 HZ2 TRP 117 227.771 4.178 -5.844 922 HZ3 TRP 117 HZ3 TRP 117 224.525 4.255 -8.612 923 HH2 TRP 117 HH2 TRP 117 226.913 4.058 -8.142 924 H LYS 118 HN LYS 118 223.616 2.352 -4.064 925 HA LYS 118 HA LYS 118 223.333 0.268 -2.210 926 HB2 LYS 118 HB2 LYS 118 225.377 1.239 -4.004 927 HB3 LYS 118 HB1 LYS 118 226.093 0.738 -2.479 928 HG2 LYS 118 HG2 LYS 118 224.124 -1.141 -3.556 929 HG3 LYS 118 HG1 LYS 118 225.550 -0.910 -4.570 930 HD2 LYS 118 HD2 LYS 118 227.002 -1.472 -2.717 931 HD3 LYS 118 HD1 LYS 118 225.617 -1.590 -1.630 932 HE2 LYS 118 HE2 LYS 118 225.705 -3.780 -2.115 933 HE3 LYS 118 HE1 LYS 118 224.886 -3.305 -3.603 934 HZ1 LYS 118 HZ1 LYS 118 227.619 -4.191 -3.193 935 HZ2 LYS 118 HZ2 LYS 118 227.428 -2.913 -4.284 936 HZ3 LYS 118 HZ3 LYS 118 226.611 -4.372 -4.540 937 H GLN 119 HN GLN 119 223.310 0.327 -0.061 938 HA GLN 119 HA GLN 119 223.877 2.633 1.440 939 HB2 GLN 119 HB2 GLN 119 222.352 0.855 2.196 940 HB3 GLN 119 HB1 GLN 119 223.718 -0.238 2.373 941 HG2 GLN 119 HG2 GLN 119 224.660 1.494 3.997 942 HG3 GLN 119 HG1 GLN 119 223.040 2.188 3.993 943 HE21 GLN 119 HE21 GLN 119 225.071 -0.147 5.317 944 HE22 GLN 119 HE22 GLN 119 223.888 -1.033 6.211 945 H HIS 120 HN HIS 120 225.689 3.428 2.271 946 HA HIS 120 HA HIS 120 228.009 1.678 2.619 947 HB2 HIS 120 HB2 HIS 120 229.432 3.591 1.672 948 HB3 HIS 120 HB1 HIS 120 228.543 2.600 0.521 949 HD1 HIS 120 HD1 HIS 120 228.171 5.933 2.310 950 HD2 HIS 120 HD2 HIS 120 226.991 4.026 -1.189 951 HE1 HIS 120 HE1 HIS 120 226.979 7.687 0.958 952 HE2 HIS 120 HE2 HIS 120 226.333 6.528 -1.184 953 H GLY 121 HN GLY 121 225.940 3.434 4.198 954 HA2 GLY 121 HA2 GLY 121 226.077 4.282 6.352 955 HA3 GLY 121 HA1 GLY 121 227.827 4.163 6.255 956 H GLY 122 HN GLY 122 226.500 5.796 3.594 957 HA2 GLY 122 HA2 GLY 122 227.795 8.219 4.227 958 HA3 GLY 122 HA1 GLY 122 226.631 7.991 2.931 959 HA PRO 123 HA PRO 123 224.992 10.264 6.990 960 HB2 PRO 123 HB2 PRO 123 225.777 12.714 5.494 961 HB3 PRO 123 HB1 PRO 123 225.822 12.393 7.231 962 HG2 PRO 123 HG2 PRO 123 228.063 12.405 5.794 963 HG3 PRO 123 HG1 PRO 123 227.823 11.229 7.099 964 HD2 PRO 123 HD2 PRO 123 227.643 10.845 4.142 965 HD3 PRO 123 HD1 PRO 123 228.264 9.744 5.389 966 H ASN 124 HN ASN 124 224.912 10.815 3.527 967 HA ASN 124 HA ASN 124 222.370 12.124 3.506 968 HB2 ASN 124 HB2 ASN 124 222.486 11.726 1.039 969 HB3 ASN 124 HB1 ASN 124 223.894 12.554 1.698 970 HD21 ASN 124 HD21 ASN 124 223.564 10.946 -0.739 971 HD22 ASN 124 HD22 ASN 124 224.758 9.700 -0.639 972 H GLN 125 HN GLN 125 223.139 8.998 4.219 973 HA GLN 125 HA GLN 125 220.726 7.895 2.966 974 HB2 GLN 125 HB2 GLN 125 223.030 6.462 4.298 975 HB3 GLN 125 HB1 GLN 125 221.662 5.691 3.508 976 HG2 GLN 125 HG2 GLN 125 222.335 6.555 1.375 977 HG3 GLN 125 HG1 GLN 125 223.619 7.505 2.121 978 HE21 GLN 125 HE21 GLN 125 223.732 5.425 0.055 979 HE22 GLN 125 HE22 GLN 125 224.817 4.223 0.657 980 H LYS 126 HN LYS 126 221.933 9.007 5.964 981 HA LYS 126 HA LYS 126 220.336 7.312 7.637 982 HB2 LYS 126 HB2 LYS 126 221.452 9.965 8.493 983 HB3 LYS 126 HB1 LYS 126 221.205 8.514 9.452 984 HG2 LYS 126 HG2 LYS 126 223.245 8.738 7.251 985 HG3 LYS 126 HG1 LYS 126 223.584 9.057 8.952 986 HD2 LYS 126 HD2 LYS 126 222.231 6.509 8.496 987 HD3 LYS 126 HD1 LYS 126 223.804 6.620 7.703 988 HE2 LYS 126 HE2 LYS 126 223.947 5.686 9.983 989 HE3 LYS 126 HE1 LYS 126 224.866 7.179 9.797 990 HZ1 LYS 126 HZ1 LYS 126 222.103 7.234 10.826 991 HZ2 LYS 126 HZ2 LYS 126 223.338 8.369 11.040 992 HZ3 LYS 126 HZ3 LYS 126 223.398 6.891 11.860 993 H PHE 127 HN PHE 127 218.370 7.684 8.525 994 HA PHE 127 HA PHE 127 217.060 10.259 8.053 995 HB2 PHE 127 HB2 PHE 127 215.612 7.655 7.606 996 HB3 PHE 127 HB1 PHE 127 215.075 9.277 7.193 997 HD1 PHE 127 HD2 PHE 127 217.287 10.422 5.757 998 HD2 PHE 127 HD1 PHE 127 215.796 6.440 5.670 999 HE1 PHE 127 HE2 PHE 127 218.186 10.139 3.486 1000 HE2 PHE 127 HE1 PHE 127 216.693 6.148 3.397 1001 HZ PHE 127 HZ PHE 127 217.890 8.001 2.302 1002 H ILE 128 HN ILE 128 215.251 10.646 9.479 1003 HA ILE 128 HA ILE 128 215.418 9.038 11.938 1004 HB ILE 128 HB ILE 128 214.308 11.779 12.043 1005 HG12 ILE 128 HG12 ILE 128 217.285 11.239 11.930 1006 HG13 ILE 128 HG11 ILE 128 216.355 12.031 10.661 1007 HG21 ILE 128 HG21 ILE 128 215.941 11.525 14.160 1008 HG22 ILE 128 HG22 ILE 128 215.594 9.827 13.834 1009 HG23 ILE 128 HG23 ILE 128 214.272 10.954 14.142 1010 HD11 ILE 128 HD11 ILE 128 217.612 13.595 12.096 1011 HD12 ILE 128 HD12 ILE 128 216.638 13.072 13.470 1012 HD13 ILE 128 HD13 ILE 128 215.873 13.886 12.105 1013 H ILE 129 HN ILE 129 213.617 8.266 12.805 1014 HA ILE 129 HA ILE 129 211.100 8.767 11.371 1015 HB ILE 129 HB ILE 129 211.815 6.304 12.960 1016 HG12 ILE 129 HG12 ILE 129 213.292 6.441 11.043 1017 HG13 ILE 129 HG11 ILE 129 212.072 5.208 10.740 1018 HG21 ILE 129 HG21 ILE 129 209.886 5.518 11.304 1019 HG22 ILE 129 HG22 ILE 129 209.442 7.218 11.457 1020 HG23 ILE 129 HG23 ILE 129 209.557 6.203 12.895 1021 HD11 ILE 129 HD11 ILE 129 210.883 6.658 9.263 1022 HD12 ILE 129 HD12 ILE 129 212.583 6.659 8.792 1023 HD13 ILE 129 HD13 ILE 129 211.916 8.022 9.691 1024 H GLU 130 HN GLU 130 209.268 9.268 12.488 1025 HA GLU 130 HA GLU 130 209.349 9.234 15.415 1026 HB2 GLU 130 HB2 GLU 130 208.928 11.628 13.659 1027 HB3 GLU 130 HB1 GLU 130 208.136 11.543 15.227 1028 HG2 GLU 130 HG2 GLU 130 210.168 11.543 16.383 1029 HG3 GLU 130 HG1 GLU 130 211.090 11.141 14.935 1030 H SER 131 HN SER 131 207.715 7.914 15.909 1031 HA SER 131 HA SER 131 205.516 7.347 14.277 1032 HB2 SER 131 HB2 SER 131 206.384 6.691 16.993 1033 HB3 SER 131 HB1 SER 131 204.630 6.774 16.834 1034 HG SER 131 HG SER 131 206.280 5.311 15.055 1035 H GLU 132 HN GLU 132 204.043 8.772 13.643 1036 HA GLU 132 HA GLU 132 203.422 11.172 14.957 1037 HB2 GLU 132 HB2 GLU 132 202.977 10.389 12.501 1038 HB3 GLU 132 HB1 GLU 132 201.448 9.818 13.154 1039 HG2 GLU 132 HG2 GLU 132 201.336 12.259 14.127 1040 HG3 GLU 132 HG1 GLU 132 202.444 12.592 12.796 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 194.187 -1.825 9.911 2 H2 MET 1 HT2 MET 1 193.873 -3.431 9.392 3 H3 MET 1 HT3 MET 1 195.416 -2.729 9.129 4 HA MET 1 HA MET 1 194.186 -3.418 11.711 5 HB2 MET 1 HB2 MET 1 195.367 -5.066 9.932 6 HB3 MET 1 HB1 MET 1 196.791 -4.493 10.789 7 HG2 MET 1 HG2 MET 1 195.238 -5.096 12.880 8 HG3 MET 1 HG1 MET 1 194.598 -6.240 11.702 9 HE1 MET 1 HE1 MET 1 195.448 -7.068 14.168 10 HE2 MET 1 HE2 MET 1 197.139 -6.889 14.636 11 HE3 MET 1 HE3 MET 1 196.571 -8.409 13.945 12 H LYS 2 HN LYS 2 194.521 -1.495 12.783 13 HA LYS 2 HA LYS 2 195.647 0.102 13.945 14 HB2 LYS 2 HB2 LYS 2 197.733 -2.036 13.657 15 HB3 LYS 2 HB1 LYS 2 198.139 -0.500 14.411 16 HG2 LYS 2 HG2 LYS 2 196.236 -0.883 15.997 17 HG3 LYS 2 HG1 LYS 2 196.095 -2.508 15.322 18 HD2 LYS 2 HD2 LYS 2 198.814 -2.161 15.915 19 HD3 LYS 2 HD1 LYS 2 197.935 -1.498 17.294 20 HE2 LYS 2 HE2 LYS 2 197.976 -3.659 17.966 21 HE3 LYS 2 HE1 LYS 2 196.543 -3.754 16.944 22 HZ1 LYS 2 HZ1 LYS 2 199.208 -4.847 16.514 23 HZ2 LYS 2 HZ2 LYS 2 198.414 -4.246 15.146 24 HZ3 LYS 2 HZ3 LYS 2 197.698 -5.468 16.070 25 HA PRO 3 HA PRO 3 197.331 1.686 9.828 26 HB2 PRO 3 HB2 PRO 3 195.412 3.852 10.455 27 HB3 PRO 3 HB1 PRO 3 195.676 2.987 8.938 28 HG2 PRO 3 HG2 PRO 3 193.499 2.542 10.423 29 HG3 PRO 3 HG1 PRO 3 194.306 1.226 9.549 30 HD2 PRO 3 HD2 PRO 3 194.422 1.922 12.458 31 HD3 PRO 3 HD1 PRO 3 194.336 0.326 11.683 32 H LYS 4 HN LYS 4 199.201 1.921 11.322 33 HA LYS 4 HA LYS 4 199.346 4.499 12.687 34 HB2 LYS 4 HB2 LYS 4 200.431 1.934 13.194 35 HB3 LYS 4 HB1 LYS 4 201.787 3.001 12.858 36 HG2 LYS 4 HG2 LYS 4 201.671 3.686 14.959 37 HG3 LYS 4 HG1 LYS 4 200.134 4.456 14.565 38 HD2 LYS 4 HD2 LYS 4 199.218 3.112 16.095 39 HD3 LYS 4 HD1 LYS 4 199.456 1.801 14.938 40 HE2 LYS 4 HE2 LYS 4 200.791 0.818 16.417 41 HE3 LYS 4 HE1 LYS 4 201.927 2.149 16.210 42 HZ1 LYS 4 HZ1 LYS 4 200.188 3.223 17.921 43 HZ2 LYS 4 HZ2 LYS 4 201.586 2.402 18.401 44 HZ3 LYS 4 HZ3 LYS 4 200.097 1.600 18.389 45 H PHE 5 HN PHE 5 200.338 6.201 11.849 46 HA PHE 5 HA PHE 5 201.963 5.831 9.426 47 HB2 PHE 5 HB2 PHE 5 201.536 8.507 9.510 48 HB3 PHE 5 HB1 PHE 5 200.467 7.376 8.691 49 HD1 PHE 5 HD2 PHE 5 198.437 6.528 9.929 50 HD2 PHE 5 HD1 PHE 5 200.776 9.806 11.303 51 HE1 PHE 5 HE2 PHE 5 196.569 7.257 11.353 52 HE2 PHE 5 HE1 PHE 5 198.913 10.542 12.731 53 HZ PHE 5 HZ PHE 5 196.806 9.267 12.757 54 H PHE 6 HN PHE 6 203.656 7.768 9.207 55 HA PHE 6 HA PHE 6 204.786 8.540 11.768 56 HB2 PHE 6 HB2 PHE 6 206.966 7.346 10.316 57 HB3 PHE 6 HB1 PHE 6 206.456 7.085 11.972 58 HD1 PHE 6 HD2 PHE 6 204.712 5.329 12.435 59 HD2 PHE 6 HD1 PHE 6 206.607 5.760 8.650 60 HE1 PHE 6 HE2 PHE 6 204.044 3.036 11.843 61 HE2 PHE 6 HE1 PHE 6 205.947 3.469 8.050 62 HZ PHE 6 HZ PHE 6 204.662 2.101 9.649 63 H TYR 7 HN TYR 7 206.956 9.653 11.430 64 HA TYR 7 HA TYR 7 206.767 11.265 8.985 65 HB2 TYR 7 HB2 TYR 7 206.861 12.035 11.733 66 HB3 TYR 7 HB1 TYR 7 208.341 12.591 10.961 67 HD1 TYR 7 HD1 TYR 7 208.138 14.022 8.872 68 HD2 TYR 7 HD2 TYR 7 204.833 13.176 11.414 69 HE1 TYR 7 HE1 TYR 7 206.929 15.944 7.931 70 HE2 TYR 7 HE2 TYR 7 203.614 15.096 10.478 71 HH TYR 7 HH TYR 7 203.855 16.400 8.004 72 H ILE 8 HN ILE 8 208.408 11.090 7.600 73 HA ILE 8 HA ILE 8 210.899 9.868 8.567 74 HB ILE 8 HB ILE 8 210.887 10.038 5.717 75 HG12 ILE 8 HG12 ILE 8 208.408 10.156 5.926 76 HG13 ILE 8 HG11 ILE 8 208.957 8.684 5.133 77 HG21 ILE 8 HG21 ILE 8 212.020 8.423 7.325 78 HG22 ILE 8 HG22 ILE 8 211.357 7.742 5.839 79 HG23 ILE 8 HG23 ILE 8 210.484 7.557 7.360 80 HD11 ILE 8 HD11 ILE 8 208.660 8.392 8.013 81 HD12 ILE 8 HD12 ILE 8 208.060 7.383 6.697 82 HD13 ILE 8 HD13 ILE 8 207.163 8.820 7.186 83 H LYS 9 HN LYS 9 212.361 11.346 9.081 84 HA LYS 9 HA LYS 9 212.538 13.795 7.482 85 HB2 LYS 9 HB2 LYS 9 212.186 14.252 9.782 86 HB3 LYS 9 HB1 LYS 9 213.406 13.087 10.273 87 HG2 LYS 9 HG2 LYS 9 215.030 14.590 10.141 88 HG3 LYS 9 HG1 LYS 9 214.497 15.142 8.552 89 HD2 LYS 9 HD2 LYS 9 213.201 16.797 9.408 90 HD3 LYS 9 HD1 LYS 9 212.842 15.897 10.883 91 HE2 LYS 9 HE2 LYS 9 215.001 16.400 11.792 92 HE3 LYS 9 HE1 LYS 9 215.531 17.112 10.269 93 HZ1 LYS 9 HZ1 LYS 9 214.467 19.031 10.697 94 HZ2 LYS 9 HZ2 LYS 9 214.587 18.532 12.308 95 HZ3 LYS 9 HZ3 LYS 9 213.151 18.282 11.451 96 H SER 10 HN SER 10 214.345 14.337 6.376 97 HA SER 10 HA SER 10 216.356 12.344 5.938 98 HB2 SER 10 HB2 SER 10 216.177 15.224 5.009 99 HB3 SER 10 HB1 SER 10 217.380 14.061 4.453 100 HG SER 10 HG SER 10 215.818 13.888 2.970 101 H GLU 11 HN GLU 11 217.820 11.969 7.461 102 HA GLU 11 HA GLU 11 218.546 13.750 9.497 103 HB2 GLU 11 HB2 GLU 11 218.776 11.356 9.782 104 HB3 GLU 11 HB1 GLU 11 219.946 11.279 8.474 105 HG2 GLU 11 HG2 GLU 11 221.637 11.829 9.809 106 HG3 GLU 11 HG1 GLU 11 220.728 13.134 10.569 107 H LEU 12 HN LEU 12 219.478 13.698 6.264 108 HA LEU 12 HA LEU 12 222.109 14.827 6.698 109 HB2 LEU 12 HB2 LEU 12 221.725 13.375 4.777 110 HB3 LEU 12 HB1 LEU 12 220.491 14.466 4.176 111 HG LEU 12 HG LEU 12 222.287 16.231 3.982 112 HD11 LEU 12 HD11 LEU 12 224.102 15.657 5.220 113 HD12 LEU 12 HD12 LEU 12 224.598 14.957 3.680 114 HD13 LEU 12 HD13 LEU 12 223.896 13.930 4.930 115 HD21 LEU 12 HD21 LEU 12 222.026 13.774 2.356 116 HD22 LEU 12 HD22 LEU 12 223.412 14.811 2.018 117 HD23 LEU 12 HD23 LEU 12 221.776 15.462 1.913 118 H ASN 13 HN ASN 13 219.203 15.982 4.971 119 HA ASN 13 HA ASN 13 220.093 18.714 5.129 120 HB2 ASN 13 HB2 ASN 13 217.401 17.771 4.183 121 HB3 ASN 13 HB1 ASN 13 218.290 19.200 3.682 122 HD21 ASN 13 HD21 ASN 13 217.172 16.638 2.394 123 HD22 ASN 13 HD22 ASN 13 218.460 16.122 1.367 124 H GLY 14 HN GLY 14 218.238 16.697 7.153 125 HA2 GLY 14 HA2 GLY 14 217.171 17.220 9.140 126 HA3 GLY 14 HA1 GLY 14 217.569 18.911 8.861 127 H LYS 15 HN LYS 15 216.153 17.764 6.100 128 HA LYS 15 HA LYS 15 213.618 19.035 6.737 129 HB2 LYS 15 HB2 LYS 15 214.447 17.900 4.072 130 HB3 LYS 15 HB1 LYS 15 213.278 19.163 4.395 131 HG2 LYS 15 HG2 LYS 15 216.258 19.319 4.396 132 HG3 LYS 15 HG1 LYS 15 215.092 20.308 3.521 133 HD2 LYS 15 HD2 LYS 15 214.343 21.182 5.773 134 HD3 LYS 15 HD1 LYS 15 215.760 20.381 6.455 135 HE2 LYS 15 HE2 LYS 15 216.569 22.505 6.086 136 HE3 LYS 15 HE1 LYS 15 217.044 21.685 4.600 137 HZ1 LYS 15 HZ1 LYS 15 214.628 22.582 3.930 138 HZ2 LYS 15 HZ2 LYS 15 216.053 23.451 3.658 139 HZ3 LYS 15 HZ3 LYS 15 215.098 23.797 5.010 140 H VAL 16 HN VAL 16 211.752 17.809 5.296 141 HA VAL 16 HA VAL 16 211.852 14.985 6.131 142 HB VAL 16 HB VAL 16 209.318 15.194 6.311 143 HG11 VAL 16 HG11 VAL 16 211.374 16.161 8.178 144 HG12 VAL 16 HG12 VAL 16 210.130 14.930 8.394 145 HG13 VAL 16 HG13 VAL 16 209.720 16.637 8.561 146 HG21 VAL 16 HG21 VAL 16 209.524 17.548 5.155 147 HG22 VAL 16 HG22 VAL 16 209.741 18.097 6.816 148 HG23 VAL 16 HG23 VAL 16 208.274 17.232 6.358 149 H LEU 17 HN LEU 17 211.064 13.472 4.716 150 HA LEU 17 HA LEU 17 211.037 14.195 1.957 151 HB2 LEU 17 HB2 LEU 17 210.002 11.577 3.001 152 HB3 LEU 17 HB1 LEU 17 210.833 11.905 1.493 153 HG LEU 17 HG LEU 17 212.058 11.829 4.250 154 HD11 LEU 17 HD11 LEU 17 213.297 9.938 3.396 155 HD12 LEU 17 HD12 LEU 17 212.530 10.112 1.818 156 HD13 LEU 17 HD13 LEU 17 211.567 9.647 3.220 157 HD21 LEU 17 HD21 LEU 17 213.225 13.545 3.164 158 HD22 LEU 17 HD22 LEU 17 213.170 12.718 1.607 159 HD23 LEU 17 HD23 LEU 17 214.207 12.104 2.895 160 H ASP 18 HN ASP 18 209.336 14.571 0.600 161 HA ASP 18 HA ASP 18 206.623 14.028 1.546 162 HB2 ASP 18 HB2 ASP 18 207.246 16.374 2.187 163 HB3 ASP 18 HB1 ASP 18 207.467 16.729 0.478 164 H ILE 19 HN ILE 19 205.162 13.603 -0.064 165 HA ILE 19 HA ILE 19 206.280 13.094 -2.689 166 HB ILE 19 HB ILE 19 203.443 12.647 -1.758 167 HG12 ILE 19 HG12 ILE 19 205.836 10.794 -1.700 168 HG13 ILE 19 HG11 ILE 19 204.973 11.432 -0.305 169 HG21 ILE 19 HG21 ILE 19 203.473 10.947 -3.596 170 HG22 ILE 19 HG22 ILE 19 205.025 11.614 -4.102 171 HG23 ILE 19 HG23 ILE 19 203.579 12.622 -4.138 172 HD11 ILE 19 HD11 ILE 19 204.554 9.000 -1.414 173 HD12 ILE 19 HD12 ILE 19 203.296 9.957 -2.196 174 HD13 ILE 19 HD13 ILE 19 203.377 9.875 -0.437 175 H GLU 20 HN GLU 20 205.901 14.230 -4.512 176 HA GLU 20 HA GLU 20 205.362 16.852 -4.613 177 HB2 GLU 20 HB2 GLU 20 205.021 14.669 -6.600 178 HB3 GLU 20 HB1 GLU 20 204.361 16.247 -7.007 179 HG2 GLU 20 HG2 GLU 20 207.141 16.152 -5.991 180 HG3 GLU 20 HG1 GLU 20 206.840 15.533 -7.614 181 H GLY 21 HN GLY 21 203.755 17.873 -3.620 182 HA2 GLY 21 HA2 GLY 21 201.630 18.419 -2.906 183 HA3 GLY 21 HA1 GLY 21 201.295 18.309 -4.623 184 H GLN 22 HN GLN 22 202.125 15.568 -2.558 185 HA GLN 22 HA GLN 22 201.007 13.606 -2.195 186 HB2 GLN 22 HB2 GLN 22 199.898 15.318 -0.655 187 HB3 GLN 22 HB1 GLN 22 198.581 15.351 -1.817 188 HG2 GLN 22 HG2 GLN 22 198.158 13.003 -1.465 189 HG3 GLN 22 HG1 GLN 22 199.546 12.888 -0.384 190 HE21 GLN 22 HE21 GLN 22 196.973 15.306 -0.654 191 HE22 GLN 22 HE22 GLN 22 196.414 15.147 0.973 192 H ASN 23 HN ASN 23 201.120 14.408 -4.948 193 HA ASN 23 HA ASN 23 198.830 14.347 -6.427 194 HB2 ASN 23 HB2 ASN 23 201.498 14.148 -6.996 195 HB3 ASN 23 HB1 ASN 23 200.909 12.568 -7.500 196 HD21 ASN 23 HD21 ASN 23 201.872 13.939 -9.463 197 HD22 ASN 23 HD22 ASN 23 200.650 14.662 -10.447 198 HA PRO 24 HA PRO 24 197.164 10.401 -4.892 199 HB2 PRO 24 HB2 PRO 24 194.862 11.268 -6.532 200 HB3 PRO 24 HB1 PRO 24 194.919 10.807 -4.828 201 HG2 PRO 24 HG2 PRO 24 194.591 13.357 -5.563 202 HG3 PRO 24 HG1 PRO 24 195.556 12.922 -4.140 203 HD2 PRO 24 HD2 PRO 24 196.468 13.710 -6.882 204 HD3 PRO 24 HD1 PRO 24 197.128 14.174 -5.299 205 H ALA 25 HN ALA 25 197.715 11.558 -8.086 206 HA ALA 25 HA ALA 25 196.917 9.048 -9.328 207 HB1 ALA 25 HB1 ALA 25 197.986 10.421 -11.363 208 HB2 ALA 25 HB2 ALA 25 197.582 11.761 -10.290 209 HB3 ALA 25 HB3 ALA 25 196.324 10.644 -10.819 210 HA PRO 26 HA PRO 26 200.914 7.163 -9.248 211 HB2 PRO 26 HB2 PRO 26 200.385 6.198 -11.991 212 HB3 PRO 26 HB1 PRO 26 200.672 5.278 -10.514 213 HG2 PRO 26 HG2 PRO 26 198.241 5.408 -11.626 214 HG3 PRO 26 HG1 PRO 26 198.457 5.368 -9.866 215 HD2 PRO 26 HD2 PRO 26 197.843 7.690 -11.649 216 HD3 PRO 26 HD1 PRO 26 197.207 7.305 -10.036 217 H GLY 27 HN GLY 27 203.012 7.571 -9.937 218 HA2 GLY 27 HA2 GLY 27 204.572 8.230 -11.638 219 HA3 GLY 27 HA1 GLY 27 203.312 9.222 -12.353 220 H SER 28 HN SER 28 203.103 9.668 -9.070 221 HA SER 28 HA SER 28 204.153 12.301 -9.239 222 HB2 SER 28 HB2 SER 28 203.805 11.374 -6.515 223 HB3 SER 28 HB1 SER 28 202.909 12.610 -7.396 224 HG SER 28 HG SER 28 201.678 10.882 -8.329 225 H LYS 29 HN LYS 29 206.024 13.147 -8.469 226 HA LYS 29 HA LYS 29 208.152 11.245 -7.883 227 HB2 LYS 29 HB2 LYS 29 208.025 14.059 -8.842 228 HB3 LYS 29 HB1 LYS 29 209.449 13.582 -7.928 229 HG2 LYS 29 HG2 LYS 29 210.038 13.228 -10.153 230 HG3 LYS 29 HG1 LYS 29 209.622 11.622 -9.553 231 HD2 LYS 29 HD2 LYS 29 208.475 11.640 -11.542 232 HD3 LYS 29 HD1 LYS 29 207.235 12.257 -10.448 233 HE2 LYS 29 HE2 LYS 29 207.217 13.659 -12.360 234 HE3 LYS 29 HE1 LYS 29 207.992 14.573 -11.067 235 HZ1 LYS 29 HZ1 LYS 29 209.198 14.807 -13.138 236 HZ2 LYS 29 HZ2 LYS 29 209.393 13.131 -13.254 237 HZ3 LYS 29 HZ3 LYS 29 210.148 13.984 -12.004 238 H ILE 30 HN ILE 30 209.663 11.663 -6.133 239 HA ILE 30 HA ILE 30 208.331 12.969 -3.839 240 HB ILE 30 HB ILE 30 209.522 11.377 -2.370 241 HG12 ILE 30 HG12 ILE 30 210.212 9.968 -4.958 242 HG13 ILE 30 HG11 ILE 30 211.361 10.842 -3.950 243 HG21 ILE 30 HG21 ILE 30 208.046 9.517 -2.780 244 HG22 ILE 30 HG22 ILE 30 207.816 10.022 -4.455 245 HG23 ILE 30 HG23 ILE 30 207.193 11.019 -3.140 246 HD11 ILE 30 HD11 ILE 30 211.736 8.950 -2.871 247 HD12 ILE 30 HD12 ILE 30 210.425 8.147 -3.732 248 HD13 ILE 30 HD13 ILE 30 210.089 9.033 -2.246 249 H ILE 31 HN ILE 31 209.580 14.157 -2.378 250 HA ILE 31 HA ILE 31 212.419 14.495 -2.802 251 HB ILE 31 HB ILE 31 212.436 16.803 -3.323 252 HG12 ILE 31 HG12 ILE 31 210.391 17.351 -1.949 253 HG13 ILE 31 HG11 ILE 31 210.516 18.208 -3.479 254 HG21 ILE 31 HG21 ILE 31 211.452 16.858 -5.527 255 HG22 ILE 31 HG22 ILE 31 210.391 15.510 -5.118 256 HG23 ILE 31 HG23 ILE 31 212.134 15.262 -5.216 257 HD11 ILE 31 HD11 ILE 31 208.377 16.674 -2.507 258 HD12 ILE 31 HD12 ILE 31 209.053 15.804 -3.885 259 HD13 ILE 31 HD13 ILE 31 208.525 17.477 -4.070 260 H THR 32 HN THR 32 213.104 16.514 -1.339 261 HA THR 32 HA THR 32 211.833 15.990 1.261 262 HB THR 32 HB THR 32 213.858 16.397 2.307 263 HG1 THR 32 HG1 THR 32 215.538 17.585 1.348 264 HG21 THR 32 HG21 THR 32 214.220 14.397 1.081 265 HG22 THR 32 HG22 THR 32 215.694 15.360 0.987 266 HG23 THR 32 HG23 THR 32 214.592 15.298 -0.389 267 H TRP 33 HN TRP 33 211.345 17.725 2.692 268 HA TRP 33 HA TRP 33 211.608 20.449 1.788 269 HB2 TRP 33 HB2 TRP 33 209.575 19.450 0.584 270 HB3 TRP 33 HB1 TRP 33 208.801 19.413 2.165 271 HD1 TRP 33 HD1 TRP 33 207.306 21.439 2.545 272 HE1 TRP 33 HE1 TRP 33 207.300 23.904 1.807 273 HE3 TRP 33 HE3 TRP 33 211.592 21.461 -0.240 274 HZ2 TRP 33 HZ2 TRP 33 208.901 25.628 0.252 275 HZ3 TRP 33 HZ3 TRP 33 212.285 23.561 -1.321 276 HH2 TRP 33 HH2 TRP 33 210.965 25.601 -1.080 277 H ASP 34 HN ASP 34 210.316 21.939 3.373 278 HA ASP 34 HA ASP 34 211.222 21.327 5.995 279 HB2 ASP 34 HB2 ASP 34 209.232 23.481 5.283 280 HB3 ASP 34 HB1 ASP 34 210.367 23.458 6.629 281 H GLN 35 HN GLN 35 210.202 20.405 7.672 282 HA GLN 35 HA GLN 35 207.860 18.925 7.324 283 HB2 GLN 35 HB2 GLN 35 209.681 18.576 9.053 284 HB3 GLN 35 HB1 GLN 35 208.932 19.869 9.980 285 HG2 GLN 35 HG2 GLN 35 206.783 18.347 9.607 286 HG3 GLN 35 HG1 GLN 35 208.023 17.098 9.505 287 HE21 GLN 35 HE21 GLN 35 205.934 18.409 11.549 288 HE22 GLN 35 HE22 GLN 35 206.784 18.241 13.044 289 H LYS 36 HN LYS 36 205.747 19.232 7.863 290 HA LYS 36 HA LYS 36 204.974 21.990 8.534 291 HB2 LYS 36 HB2 LYS 36 203.963 20.033 6.628 292 HB3 LYS 36 HB1 LYS 36 202.688 20.666 7.659 293 HG2 LYS 36 HG2 LYS 36 202.570 22.335 6.191 294 HG3 LYS 36 HG1 LYS 36 204.041 22.936 6.957 295 HD2 LYS 36 HD2 LYS 36 204.573 22.916 4.686 296 HD3 LYS 36 HD1 LYS 36 205.279 21.416 5.290 297 HE2 LYS 36 HE2 LYS 36 202.670 20.745 4.580 298 HE3 LYS 36 HE1 LYS 36 203.224 21.819 3.297 299 HZ1 LYS 36 HZ1 LYS 36 205.182 20.403 3.033 300 HZ2 LYS 36 HZ2 LYS 36 203.753 19.536 2.778 301 HZ3 LYS 36 HZ3 LYS 36 204.601 19.358 4.230 302 H LYS 37 HN LYS 37 203.083 22.264 9.920 303 HA LYS 37 HA LYS 37 202.766 20.033 11.821 304 HB2 LYS 37 HB2 LYS 37 202.670 22.974 12.505 305 HB3 LYS 37 HB1 LYS 37 202.607 21.624 13.629 306 HG2 LYS 37 HG2 LYS 37 204.790 22.154 13.865 307 HG3 LYS 37 HG1 LYS 37 204.941 21.071 12.480 308 HD2 LYS 37 HD2 LYS 37 205.509 22.742 11.079 309 HD3 LYS 37 HD1 LYS 37 204.368 23.875 11.807 310 HE2 LYS 37 HE2 LYS 37 206.138 24.888 12.706 311 HE3 LYS 37 HE1 LYS 37 206.268 23.496 13.780 312 HZ1 LYS 37 HZ1 LYS 37 207.498 23.295 11.134 313 HZ2 LYS 37 HZ2 LYS 37 207.998 22.637 12.609 314 HZ3 LYS 37 HZ3 LYS 37 208.265 24.275 12.281 315 H GLY 38 HN GLY 38 200.806 19.194 11.506 316 HA2 GLY 38 HA2 GLY 38 198.462 19.437 12.071 317 HA3 GLY 38 HA1 GLY 38 198.529 21.066 11.418 318 HA PRO 39 HA PRO 39 196.259 18.855 8.136 319 HB2 PRO 39 HB2 PRO 39 196.554 21.618 7.036 320 HB3 PRO 39 HB1 PRO 39 195.136 20.562 7.058 321 HG2 PRO 39 HG2 PRO 39 195.341 22.588 8.771 322 HG3 PRO 39 HG1 PRO 39 194.653 21.035 9.277 323 HD2 PRO 39 HD2 PRO 39 197.318 22.215 9.883 324 HD3 PRO 39 HD1 PRO 39 196.302 21.148 10.872 325 H THR 40 HN THR 40 196.660 18.598 5.810 326 HA THR 40 HA THR 40 198.079 17.823 4.210 327 HB THR 40 HB THR 40 197.792 20.208 3.644 328 HG1 THR 40 HG1 THR 40 200.423 19.313 3.100 329 HG21 THR 40 HG21 THR 40 198.786 21.359 5.467 330 HG22 THR 40 HG22 THR 40 199.726 21.732 4.022 331 HG23 THR 40 HG23 THR 40 200.339 20.567 5.196 332 H ALA 41 HN ALA 41 199.055 17.422 7.060 333 HA ALA 41 HA ALA 41 201.937 17.540 6.742 334 HB1 ALA 41 HB1 ALA 41 201.953 16.500 9.009 335 HB2 ALA 41 HB2 ALA 41 200.190 16.520 8.977 336 HB3 ALA 41 HB3 ALA 41 201.090 18.036 8.929 337 H VAL 42 HN VAL 42 199.330 15.294 6.393 338 HA VAL 42 HA VAL 42 200.514 12.796 6.656 339 HB VAL 42 HB VAL 42 198.445 13.768 4.668 340 HG11 VAL 42 HG11 VAL 42 198.104 11.018 5.127 341 HG12 VAL 42 HG12 VAL 42 199.809 11.250 4.741 342 HG13 VAL 42 HG13 VAL 42 198.568 11.816 3.624 343 HG21 VAL 42 HG21 VAL 42 197.301 13.942 6.596 344 HG22 VAL 42 HG22 VAL 42 198.392 12.865 7.466 345 HG23 VAL 42 HG23 VAL 42 197.134 12.195 6.427 346 H ASN 43 HN ASN 43 200.905 15.194 4.151 347 HA ASN 43 HA ASN 43 201.907 13.637 2.089 348 HB2 ASN 43 HB2 ASN 43 201.567 16.368 2.609 349 HB3 ASN 43 HB1 ASN 43 203.278 16.179 2.240 350 HD21 ASN 43 HD21 ASN 43 201.499 17.604 0.644 351 HD22 ASN 43 HD22 ASN 43 201.342 16.791 -0.872 352 H GLN 44 HN GLN 44 203.315 14.199 5.132 353 HA GLN 44 HA GLN 44 205.929 13.312 4.105 354 HB2 GLN 44 HB2 GLN 44 205.192 15.327 6.180 355 HB3 GLN 44 HB1 GLN 44 206.660 14.392 6.406 356 HG2 GLN 44 HG2 GLN 44 207.737 15.786 5.077 357 HG3 GLN 44 HG1 GLN 44 206.690 15.300 3.745 358 HE21 GLN 44 HE21 GLN 44 205.915 17.097 6.690 359 HE22 GLN 44 HE22 GLN 44 205.374 18.527 5.886 360 H LEU 45 HN LEU 45 203.339 12.077 5.357 361 HA LEU 45 HA LEU 45 204.754 10.475 7.364 362 HB2 LEU 45 HB2 LEU 45 201.857 11.197 7.195 363 HB3 LEU 45 HB1 LEU 45 202.486 10.037 8.296 364 HG LEU 45 HG LEU 45 204.034 12.352 8.667 365 HD11 LEU 45 HD11 LEU 45 201.994 13.341 7.465 366 HD12 LEU 45 HD12 LEU 45 202.554 14.102 8.950 367 HD13 LEU 45 HD13 LEU 45 201.144 13.040 8.975 368 HD21 LEU 45 HD21 LEU 45 202.107 10.697 10.184 369 HD22 LEU 45 HD22 LEU 45 202.477 12.296 10.830 370 HD23 LEU 45 HD23 LEU 45 203.774 11.131 10.560 371 H TRP 46 HN TRP 46 204.672 8.306 7.288 372 HA TRP 46 HA TRP 46 203.081 7.061 5.164 373 HB2 TRP 46 HB2 TRP 46 205.991 6.571 5.784 374 HB3 TRP 46 HB1 TRP 46 205.021 5.599 4.688 375 HD1 TRP 46 HD1 TRP 46 205.743 9.414 5.020 376 HE1 TRP 46 HE1 TRP 46 206.210 10.328 2.657 377 HE3 TRP 46 HE3 TRP 46 205.171 5.093 2.342 378 HZ2 TRP 46 HZ2 TRP 46 206.317 9.349 0.011 379 HZ3 TRP 46 HZ3 TRP 46 205.468 5.169 -0.098 380 HH2 TRP 46 HH2 TRP 46 206.029 7.254 -1.239 381 H TYR 47 HN TYR 47 203.079 4.626 5.426 382 HA TYR 47 HA TYR 47 203.353 3.789 8.197 383 HB2 TYR 47 HB2 TYR 47 201.093 2.780 8.215 384 HB3 TYR 47 HB1 TYR 47 201.062 4.534 8.115 385 HD1 TYR 47 HD2 TYR 47 200.680 1.440 6.101 386 HD2 TYR 47 HD1 TYR 47 199.941 5.617 6.377 387 HE1 TYR 47 HE2 TYR 47 199.190 1.300 4.148 388 HE2 TYR 47 HE1 TYR 47 198.444 5.490 4.429 389 HH TYR 47 HH TYR 47 198.267 3.818 2.354 390 H THR 48 HN THR 48 203.021 1.359 8.398 391 HA THR 48 HA THR 48 204.165 0.083 6.010 392 HB THR 48 HB THR 48 205.004 -1.645 7.583 393 HG1 THR 48 HG1 THR 48 204.075 0.104 9.608 394 HG21 THR 48 HG21 THR 48 205.771 1.209 8.009 395 HG22 THR 48 HG22 THR 48 206.652 -0.077 7.184 396 HG23 THR 48 HG23 THR 48 206.527 -0.081 8.944 397 H ASP 49 HN ASP 49 203.133 -1.520 4.992 398 HA ASP 49 HA ASP 49 200.444 -2.139 5.789 399 HB2 ASP 49 HB2 ASP 49 201.222 -1.889 3.402 400 HB3 ASP 49 HB1 ASP 49 202.044 -3.437 3.576 401 H GLN 50 HN GLN 50 199.667 -4.435 5.823 402 HA GLN 50 HA GLN 50 200.928 -5.848 7.905 403 HB2 GLN 50 HB2 GLN 50 198.847 -6.818 5.936 404 HB3 GLN 50 HB1 GLN 50 199.275 -7.617 7.443 405 HG2 GLN 50 HG2 GLN 50 198.673 -5.148 8.350 406 HG3 GLN 50 HG1 GLN 50 197.595 -5.258 6.959 407 HE21 GLN 50 HE21 GLN 50 195.656 -5.936 7.483 408 HE22 GLN 50 HE22 GLN 50 195.269 -7.089 8.709 409 H GLN 51 HN GLN 51 201.265 -5.989 4.454 410 HA GLN 51 HA GLN 51 202.640 -8.540 4.497 411 HB2 GLN 51 HB2 GLN 51 202.147 -6.561 2.267 412 HB3 GLN 51 HB1 GLN 51 202.946 -8.114 2.059 413 HG2 GLN 51 HG2 GLN 51 200.779 -9.071 3.123 414 HG3 GLN 51 HG1 GLN 51 200.083 -7.522 2.648 415 HE21 GLN 51 HE21 GLN 51 198.807 -8.072 0.997 416 HE22 GLN 51 HE22 GLN 51 199.334 -8.871 -0.441 417 H GLY 52 HN GLY 52 203.505 -5.429 5.268 418 HA2 GLY 52 HA2 GLY 52 205.690 -4.868 5.984 419 HA3 GLY 52 HA1 GLY 52 206.334 -6.081 4.889 420 H VAL 53 HN VAL 53 203.935 -4.077 3.503 421 HA VAL 53 HA VAL 53 206.019 -2.610 2.048 422 HB VAL 53 HB VAL 53 203.134 -3.043 1.267 423 HG11 VAL 53 HG11 VAL 53 205.120 -1.275 0.299 424 HG12 VAL 53 HG12 VAL 53 203.501 -1.563 -0.338 425 HG13 VAL 53 HG13 VAL 53 204.862 -2.516 -0.927 426 HG21 VAL 53 HG21 VAL 53 203.901 -5.175 1.023 427 HG22 VAL 53 HG22 VAL 53 205.577 -4.668 0.814 428 HG23 VAL 53 HG23 VAL 53 204.435 -4.511 -0.520 429 H ILE 54 HN ILE 54 206.223 -0.493 2.446 430 HA ILE 54 HA ILE 54 204.389 0.828 4.199 431 HB ILE 54 HB ILE 54 205.875 2.881 3.540 432 HG12 ILE 54 HG12 ILE 54 208.051 0.937 3.126 433 HG13 ILE 54 HG11 ILE 54 206.949 1.125 1.764 434 HG21 ILE 54 HG21 ILE 54 207.348 0.828 5.097 435 HG22 ILE 54 HG22 ILE 54 205.764 1.356 5.666 436 HG23 ILE 54 HG23 ILE 54 207.061 2.532 5.452 437 HD11 ILE 54 HD11 ILE 54 207.992 2.975 1.174 438 HD12 ILE 54 HD12 ILE 54 209.099 2.782 2.534 439 HD13 ILE 54 HD13 ILE 54 207.610 3.706 2.733 440 H ARG 55 HN ARG 55 203.171 2.639 3.797 441 HA ARG 55 HA ARG 55 202.830 3.605 1.089 442 HB2 ARG 55 HB2 ARG 55 200.297 2.817 2.450 443 HB3 ARG 55 HB1 ARG 55 200.641 2.972 0.739 444 HG2 ARG 55 HG2 ARG 55 201.824 0.759 2.376 445 HG3 ARG 55 HG1 ARG 55 200.213 0.638 1.669 446 HD2 ARG 55 HD2 ARG 55 202.130 1.584 -0.271 447 HD3 ARG 55 HD1 ARG 55 202.646 0.054 0.436 448 HE ARG 55 HE ARG 55 200.414 0.489 -1.323 449 HH11 ARG 55 HH11 ARG 55 201.763 -1.597 1.128 450 HH12 ARG 55 HH12 ARG 55 200.863 -2.986 0.619 451 HH21 ARG 55 HH21 ARG 55 199.228 -1.336 -1.993 452 HH22 ARG 55 HH22 ARG 55 199.423 -2.838 -1.153 453 H SER 56 HN SER 56 202.349 5.733 1.099 454 HA SER 56 HA SER 56 202.576 7.238 3.417 455 HB2 SER 56 HB2 SER 56 201.156 8.103 0.889 456 HB3 SER 56 HB1 SER 56 201.894 9.154 2.097 457 HG SER 56 HG SER 56 203.051 7.748 0.044 458 H LYS 57 HN LYS 57 201.266 8.231 4.787 459 HA LYS 57 HA LYS 57 198.925 7.013 5.584 460 HB2 LYS 57 HB2 LYS 57 200.436 8.615 6.865 461 HB3 LYS 57 HB1 LYS 57 199.525 9.909 6.100 462 HG2 LYS 57 HG2 LYS 57 197.477 8.565 7.014 463 HG3 LYS 57 HG1 LYS 57 198.680 7.948 8.146 464 HD2 LYS 57 HD2 LYS 57 199.045 10.025 9.096 465 HD3 LYS 57 HD1 LYS 57 198.480 10.888 7.666 466 HE2 LYS 57 HE2 LYS 57 196.197 10.304 8.152 467 HE3 LYS 57 HE1 LYS 57 196.705 9.274 9.490 468 HZ1 LYS 57 HZ1 LYS 57 196.691 12.216 9.325 469 HZ2 LYS 57 HZ2 LYS 57 197.736 11.432 10.399 470 HZ3 LYS 57 HZ3 LYS 57 196.064 11.213 10.535 471 H LEU 58 HN LEU 58 199.415 9.357 3.105 472 HA LEU 58 HA LEU 58 196.913 10.571 2.974 473 HB2 LEU 58 HB2 LEU 58 197.452 11.096 0.679 474 HB3 LEU 58 HB1 LEU 58 198.870 11.296 1.690 475 HG LEU 58 HG LEU 58 199.275 8.768 0.852 476 HD11 LEU 58 HD11 LEU 58 197.592 8.372 -0.640 477 HD12 LEU 58 HD12 LEU 58 198.800 9.067 -1.721 478 HD13 LEU 58 HD13 LEU 58 197.472 10.063 -1.125 479 HD21 LEU 58 HD21 LEU 58 200.679 10.935 0.691 480 HD22 LEU 58 HD22 LEU 58 200.048 11.025 -0.953 481 HD23 LEU 58 HD23 LEU 58 200.992 9.624 -0.446 482 H ASN 59 HN ASN 59 198.033 7.490 1.672 483 HA ASN 59 HA ASN 59 195.538 6.257 1.737 484 HB2 ASN 59 HB2 ASN 59 195.471 8.049 -0.286 485 HB3 ASN 59 HB1 ASN 59 196.125 6.655 -1.140 486 HD21 ASN 59 HD21 ASN 59 193.388 7.987 0.503 487 HD22 ASN 59 HD22 ASN 59 192.256 6.765 0.045 488 H ASP 60 HN ASP 60 195.572 4.316 -0.016 489 HA ASP 60 HA ASP 60 197.913 2.814 0.660 490 HB2 ASP 60 HB2 ASP 60 195.519 2.184 -1.073 491 HB3 ASP 60 HB1 ASP 60 196.816 1.035 -0.761 492 H PHE 61 HN PHE 61 199.563 4.087 -0.354 493 HA PHE 61 HA PHE 61 199.965 3.329 -3.139 494 HB2 PHE 61 HB2 PHE 61 199.516 6.080 -2.182 495 HB3 PHE 61 HB1 PHE 61 200.928 5.882 -3.215 496 HD1 PHE 61 HD1 PHE 61 197.316 4.980 -3.075 497 HD2 PHE 61 HD2 PHE 61 200.664 5.996 -5.496 498 HE1 PHE 61 HE1 PHE 61 195.864 5.012 -5.060 499 HE2 PHE 61 HE2 PHE 61 199.218 6.033 -7.486 500 HZ PHE 61 HZ PHE 61 196.815 5.542 -7.270 501 H ALA 62 HN ALA 62 201.946 2.560 -3.411 502 HA ALA 62 HA ALA 62 203.996 3.235 -1.408 503 HB1 ALA 62 HB1 ALA 62 203.298 0.741 -2.829 504 HB2 ALA 62 HB2 ALA 62 203.897 0.985 -1.189 505 HB3 ALA 62 HB3 ALA 62 205.013 1.043 -2.553 506 H ILE 63 HN ILE 63 206.167 3.535 -2.096 507 HA ILE 63 HA ILE 63 206.386 4.950 -4.595 508 HB ILE 63 HB ILE 63 208.878 4.315 -3.140 509 HG12 ILE 63 HG12 ILE 63 207.875 6.492 -1.695 510 HG13 ILE 63 HG11 ILE 63 206.568 5.316 -1.690 511 HG21 ILE 63 HG21 ILE 63 207.641 6.819 -4.258 512 HG22 ILE 63 HG22 ILE 63 208.925 5.844 -4.969 513 HG23 ILE 63 HG23 ILE 63 209.224 6.750 -3.488 514 HD11 ILE 63 HD11 ILE 63 208.049 5.081 0.243 515 HD12 ILE 63 HD12 ILE 63 209.404 4.772 -0.843 516 HD13 ILE 63 HD13 ILE 63 208.055 3.638 -0.770 517 H ASP 64 HN ASP 64 207.843 4.437 -6.313 518 HA ASP 64 HA ASP 64 208.801 1.668 -6.316 519 HB2 ASP 64 HB2 ASP 64 207.954 1.239 -8.502 520 HB3 ASP 64 HB1 ASP 64 206.627 1.862 -7.528 521 H ALA 65 HN ALA 65 210.769 1.374 -7.012 522 HA ALA 65 HA ALA 65 212.259 3.681 -8.028 523 HB1 ALA 65 HB1 ALA 65 213.594 2.846 -6.414 524 HB2 ALA 65 HB2 ALA 65 214.161 1.814 -7.726 525 HB3 ALA 65 HB3 ALA 65 212.962 1.209 -6.584 526 H SER 66 HN SER 66 210.475 2.585 -9.871 527 HA SER 66 HA SER 66 211.797 0.751 -11.621 528 HB2 SER 66 HB2 SER 66 209.931 1.247 -13.174 529 HB3 SER 66 HB1 SER 66 209.364 0.843 -11.554 530 HG SER 66 HG SER 66 208.926 2.975 -11.179 531 H HIS 67 HN HIS 67 211.277 4.250 -11.631 532 HA HIS 67 HA HIS 67 212.946 4.502 -14.017 533 HB2 HIS 67 HB2 HIS 67 211.175 6.458 -12.556 534 HB3 HIS 67 HB1 HIS 67 212.216 6.914 -13.893 535 HD1 HIS 67 HD1 HIS 67 209.447 4.386 -13.246 536 HD2 HIS 67 HD2 HIS 67 210.968 6.775 -16.286 537 HE1 HIS 67 HE1 HIS 67 207.901 4.051 -15.201 538 HE2 HIS 67 HE2 HIS 67 208.897 5.432 -17.058 539 H GLU 68 HN GLU 68 214.424 6.498 -13.991 540 HA GLU 68 HA GLU 68 216.544 6.117 -12.311 541 HB2 GLU 68 HB2 GLU 68 215.766 8.816 -13.416 542 HB3 GLU 68 HB1 GLU 68 217.384 8.254 -13.019 543 HG2 GLU 68 HG2 GLU 68 217.035 6.475 -14.798 544 HG3 GLU 68 HG1 GLU 68 215.628 7.413 -15.299 545 H GLN 69 HN GLN 69 213.887 8.421 -11.866 546 HA GLN 69 HA GLN 69 214.841 8.939 -9.141 547 HB2 GLN 69 HB2 GLN 69 212.568 10.545 -9.775 548 HB3 GLN 69 HB1 GLN 69 214.223 11.054 -9.491 549 HG2 GLN 69 HG2 GLN 69 214.755 10.880 -11.809 550 HG3 GLN 69 HG1 GLN 69 213.201 10.124 -12.159 551 HE21 GLN 69 HE21 GLN 69 211.887 11.434 -13.159 552 HE22 GLN 69 HE22 GLN 69 211.729 13.133 -12.890 553 H ILE 70 HN ILE 70 213.525 8.578 -7.358 554 HA ILE 70 HA ILE 70 211.646 6.459 -7.656 555 HB ILE 70 HB ILE 70 211.783 8.006 -5.107 556 HG12 ILE 70 HG12 ILE 70 214.115 7.861 -5.838 557 HG13 ILE 70 HG11 ILE 70 213.825 6.791 -4.475 558 HG21 ILE 70 HG21 ILE 70 210.601 5.658 -5.885 559 HG22 ILE 70 HG22 ILE 70 210.957 6.122 -4.221 560 HG23 ILE 70 HG23 ILE 70 212.086 5.103 -5.113 561 HD11 ILE 70 HD11 ILE 70 214.786 6.178 -7.106 562 HD12 ILE 70 HD12 ILE 70 213.335 5.245 -6.739 563 HD13 ILE 70 HD13 ILE 70 214.731 5.164 -5.664 564 H GLU 71 HN GLU 71 209.521 6.427 -7.628 565 HA GLU 71 HA GLU 71 208.038 8.947 -7.286 566 HB2 GLU 71 HB2 GLU 71 207.675 6.960 -9.534 567 HB3 GLU 71 HB1 GLU 71 206.589 8.302 -9.204 568 HG2 GLU 71 HG2 GLU 71 208.101 9.879 -9.905 569 HG3 GLU 71 HG1 GLU 71 209.487 8.826 -9.627 570 H THR 72 HN THR 72 205.673 8.579 -7.054 571 HA THR 72 HA THR 72 205.205 6.173 -5.442 572 HB THR 72 HB THR 72 203.264 7.516 -4.526 573 HG1 THR 72 HG1 THR 72 202.964 9.498 -5.180 574 HG21 THR 72 HG21 THR 72 205.020 9.314 -3.517 575 HG22 THR 72 HG22 THR 72 206.106 8.035 -4.060 576 HG23 THR 72 HG23 THR 72 204.811 7.668 -2.920 577 H GLN 73 HN GLN 73 203.644 4.747 -5.991 578 HA GLN 73 HA GLN 73 201.498 5.411 -7.768 579 HB2 GLN 73 HB2 GLN 73 202.720 3.192 -9.080 580 HB3 GLN 73 HB1 GLN 73 202.352 4.778 -9.734 581 HG2 GLN 73 HG2 GLN 73 204.540 5.578 -8.883 582 HG3 GLN 73 HG1 GLN 73 204.902 3.927 -8.383 583 HE21 GLN 73 HE21 GLN 73 206.087 5.811 -10.406 584 HE22 GLN 73 HE22 GLN 73 206.148 4.892 -11.867 585 HA PRO 74 HA PRO 74 199.505 1.981 -5.872 586 HB2 PRO 74 HB2 PRO 74 198.511 0.496 -7.959 587 HB3 PRO 74 HB1 PRO 74 197.760 1.967 -7.334 588 HG2 PRO 74 HG2 PRO 74 199.534 1.605 -9.707 589 HG3 PRO 74 HG1 PRO 74 198.085 2.611 -9.531 590 HD2 PRO 74 HD2 PRO 74 200.554 3.660 -9.435 591 HD3 PRO 74 HD1 PRO 74 199.235 4.291 -8.429 592 H PHE 75 HN PHE 75 200.079 0.042 -5.034 593 HA PHE 75 HA PHE 75 202.528 -1.134 -5.693 594 HB2 PHE 75 HB2 PHE 75 201.465 -1.343 -3.484 595 HB3 PHE 75 HB1 PHE 75 200.199 -2.343 -4.188 596 HD1 PHE 75 HD2 PHE 75 203.870 -2.427 -4.767 597 HD2 PHE 75 HD1 PHE 75 200.454 -4.418 -3.193 598 HE1 PHE 75 HE2 PHE 75 205.234 -4.433 -4.356 599 HE2 PHE 75 HE1 PHE 75 201.812 -6.428 -2.778 600 HZ PHE 75 HZ PHE 75 204.205 -6.437 -3.360 601 H ASP 76 HN ASP 76 203.113 -2.876 -6.914 602 HA ASP 76 HA ASP 76 200.991 -4.238 -8.428 603 HB2 ASP 76 HB2 ASP 76 202.663 -2.412 -9.569 604 HB3 ASP 76 HB1 ASP 76 203.561 -3.903 -9.833 605 HA PRO 77 HA PRO 77 203.006 -7.871 -6.870 606 HB2 PRO 77 HB2 PRO 77 201.885 -9.704 -8.534 607 HB3 PRO 77 HB1 PRO 77 201.018 -8.970 -7.181 608 HG2 PRO 77 HG2 PRO 77 200.939 -8.260 -10.089 609 HG3 PRO 77 HG1 PRO 77 199.598 -8.405 -8.937 610 HD2 PRO 77 HD2 PRO 77 200.633 -6.015 -9.644 611 HD3 PRO 77 HD1 PRO 77 199.998 -6.325 -8.015 612 H ASN 78 HN ASN 78 202.961 -7.251 -10.357 613 HA ASN 78 HA ASN 78 205.259 -8.973 -10.773 614 HB2 ASN 78 HB2 ASN 78 203.360 -7.493 -12.537 615 HB3 ASN 78 HB1 ASN 78 204.941 -7.923 -13.181 616 HD21 ASN 78 HD21 ASN 78 205.472 -10.329 -12.234 617 HD22 ASN 78 HD22 ASN 78 204.276 -11.481 -12.708 618 H ASN 79 HN ASN 79 204.904 -5.896 -9.649 619 HA ASN 79 HA ASN 79 207.373 -4.960 -10.953 620 HB2 ASN 79 HB2 ASN 79 205.131 -3.608 -11.017 621 HB3 ASN 79 HB1 ASN 79 205.578 -3.154 -9.376 622 HD21 ASN 79 HD21 ASN 79 206.634 -3.116 -12.725 623 HD22 ASN 79 HD22 ASN 79 207.677 -1.747 -12.575 624 HA PRO 80 HA PRO 80 208.872 -5.881 -6.756 625 HB2 PRO 80 HB2 PRO 80 211.508 -5.991 -7.977 626 HB3 PRO 80 HB1 PRO 80 210.586 -7.283 -7.208 627 HG2 PRO 80 HG2 PRO 80 211.084 -7.200 -9.880 628 HG3 PRO 80 HG1 PRO 80 209.642 -7.962 -9.183 629 HD2 PRO 80 HD2 PRO 80 209.934 -5.265 -10.457 630 HD3 PRO 80 HD1 PRO 80 208.626 -6.455 -10.625 631 H LYS 81 HN LYS 81 208.595 -3.119 -8.028 632 HA LYS 81 HA LYS 81 210.850 -1.852 -6.651 633 HB2 LYS 81 HB2 LYS 81 209.260 -0.965 -9.058 634 HB3 LYS 81 HB1 LYS 81 210.404 0.058 -8.216 635 HG2 LYS 81 HG2 LYS 81 211.717 -0.729 -9.905 636 HG3 LYS 81 HG1 LYS 81 212.045 -1.934 -8.659 637 HD2 LYS 81 HD2 LYS 81 210.731 -3.544 -9.690 638 HD3 LYS 81 HD1 LYS 81 209.807 -2.348 -10.601 639 HE2 LYS 81 HE2 LYS 81 212.652 -2.308 -11.228 640 HE3 LYS 81 HE1 LYS 81 211.898 -3.866 -11.562 641 HZ1 LYS 81 HZ1 LYS 81 210.097 -2.333 -12.660 642 HZ2 LYS 81 HZ2 LYS 81 211.489 -2.784 -13.507 643 HZ3 LYS 81 HZ3 LYS 81 211.395 -1.256 -12.790 644 H ARG 82 HN ARG 82 207.411 -2.114 -6.983 645 HA ARG 82 HA ARG 82 206.822 0.301 -5.510 646 HB2 ARG 82 HB2 ARG 82 205.050 -1.908 -6.535 647 HB3 ARG 82 HB1 ARG 82 204.463 -0.463 -5.724 648 HG2 ARG 82 HG2 ARG 82 204.732 0.823 -7.541 649 HG3 ARG 82 HG1 ARG 82 206.244 0.036 -7.998 650 HD2 ARG 82 HD2 ARG 82 205.213 -1.265 -9.464 651 HD3 ARG 82 HD1 ARG 82 204.022 -1.771 -8.270 652 HE ARG 82 HE ARG 82 202.561 -0.171 -9.071 653 HH11 ARG 82 HH11 ARG 82 205.699 0.235 -10.551 654 HH12 ARG 82 HH12 ARG 82 205.123 1.333 -11.759 655 HH21 ARG 82 HH21 ARG 82 201.806 1.273 -10.661 656 HH22 ARG 82 HH22 ARG 82 202.916 1.923 -11.822 657 H ALA 83 HN ALA 83 208.307 -2.014 -4.225 658 HA ALA 83 HA ALA 83 206.568 -2.176 -1.862 659 HB1 ALA 83 HB1 ALA 83 208.000 -4.547 -1.812 660 HB2 ALA 83 HB2 ALA 83 207.484 -4.378 -3.490 661 HB3 ALA 83 HB3 ALA 83 206.290 -4.355 -2.194 662 H TRP 84 HN TRP 84 207.659 -0.777 -0.604 663 HA TRP 84 HA TRP 84 210.542 -1.231 -0.252 664 HB2 TRP 84 HB2 TRP 84 208.860 1.221 0.275 665 HB3 TRP 84 HB1 TRP 84 210.583 1.092 0.628 666 HD1 TRP 84 HD1 TRP 84 208.211 0.890 -2.432 667 HE1 TRP 84 HE1 TRP 84 209.523 1.678 -4.501 668 HE3 TRP 84 HE3 TRP 84 212.777 1.573 -0.266 669 HZ2 TRP 84 HZ2 TRP 84 212.146 2.504 -5.117 670 HZ3 TRP 84 HZ3 TRP 84 214.635 2.364 -1.658 671 HH2 TRP 84 HH2 TRP 84 214.328 2.819 -4.037 672 H ILE 85 HN ILE 85 211.397 -1.692 1.665 673 HA ILE 85 HA ILE 85 209.552 -1.964 3.953 674 HB ILE 85 HB ILE 85 211.225 -3.651 4.811 675 HG12 ILE 85 HG12 ILE 85 212.199 -3.624 1.948 676 HG13 ILE 85 HG11 ILE 85 213.072 -2.889 3.289 677 HG21 ILE 85 HG21 ILE 85 210.503 -5.310 2.816 678 HG22 ILE 85 HG22 ILE 85 209.383 -3.976 2.534 679 HG23 ILE 85 HG23 ILE 85 209.412 -4.788 4.100 680 HD11 ILE 85 HD11 ILE 85 213.898 -5.131 2.651 681 HD12 ILE 85 HD12 ILE 85 212.342 -5.802 3.138 682 HD13 ILE 85 HD13 ILE 85 213.378 -5.020 4.332 683 H VAL 86 HN VAL 86 210.427 -1.477 6.082 684 HA VAL 86 HA VAL 86 212.504 0.585 5.922 685 HB VAL 86 HB VAL 86 210.737 0.075 8.302 686 HG11 VAL 86 HG11 VAL 86 211.342 2.225 8.995 687 HG12 VAL 86 HG12 VAL 86 211.929 2.674 7.394 688 HG13 VAL 86 HG13 VAL 86 212.840 1.528 8.378 689 HG21 VAL 86 HG21 VAL 86 209.136 1.649 7.486 690 HG22 VAL 86 HG22 VAL 86 209.363 0.424 6.237 691 HG23 VAL 86 HG23 VAL 86 210.125 2.006 6.070 692 H SER 87 HN SER 87 214.448 0.234 6.722 693 HA SER 87 HA SER 87 214.819 -1.993 8.616 694 HB2 SER 87 HB2 SER 87 215.796 -2.317 6.293 695 HB3 SER 87 HB1 SER 87 216.902 -0.994 6.666 696 HG SER 87 HG SER 87 217.433 -2.319 8.598 697 H GLY 88 HN GLY 88 214.730 -0.784 10.493 698 HA2 GLY 88 HA2 GLY 88 215.664 0.438 12.204 699 HA3 GLY 88 HA1 GLY 88 217.117 0.586 11.227 700 H ASN 89 HN ASN 89 217.519 2.435 10.155 701 HA ASN 89 HA ASN 89 215.483 4.555 10.339 702 HB2 ASN 89 HB2 ASN 89 217.273 6.150 10.699 703 HB3 ASN 89 HB1 ASN 89 217.406 4.862 11.891 704 HD21 ASN 89 HD21 ASN 89 218.616 5.812 8.687 705 HD22 ASN 89 HD22 ASN 89 220.197 5.152 8.902 706 H THR 90 HN THR 90 216.004 2.681 8.120 707 HA THR 90 HA THR 90 216.446 4.700 6.072 708 HB THR 90 HB THR 90 217.852 2.714 4.951 709 HG1 THR 90 HG1 THR 90 219.224 1.857 6.576 710 HG21 THR 90 HG21 THR 90 219.740 3.969 5.217 711 HG22 THR 90 HG22 THR 90 219.358 4.381 6.889 712 HG23 THR 90 HG23 THR 90 218.495 5.168 5.568 713 H ILE 91 HN ILE 91 215.539 4.285 4.110 714 HA ILE 91 HA ILE 91 213.497 2.184 4.075 715 HB ILE 91 HB ILE 91 213.879 4.316 1.974 716 HG12 ILE 91 HG12 ILE 91 213.717 5.502 4.080 717 HG13 ILE 91 HG11 ILE 91 212.184 5.651 3.227 718 HG21 ILE 91 HG21 ILE 91 211.741 2.390 2.736 719 HG22 ILE 91 HG22 ILE 91 212.337 2.845 1.140 720 HG23 ILE 91 HG23 ILE 91 211.274 3.937 2.028 721 HD11 ILE 91 HD11 ILE 91 212.074 3.356 4.903 722 HD12 ILE 91 HD12 ILE 91 211.116 4.835 4.978 723 HD13 ILE 91 HD13 ILE 91 212.648 4.730 5.847 724 H ALA 92 HN ALA 92 213.934 0.315 3.089 725 HA ALA 92 HA ALA 92 215.896 0.349 0.885 726 HB1 ALA 92 HB1 ALA 92 216.569 -0.715 3.140 727 HB2 ALA 92 HB2 ALA 92 216.906 -1.594 1.648 728 HB3 ALA 92 HB3 ALA 92 215.522 -2.045 2.644 729 H GLN 93 HN GLN 93 215.577 -0.984 -0.860 730 HA GLN 93 HA GLN 93 212.919 -1.500 -1.640 731 HB2 GLN 93 HB2 GLN 93 215.204 -1.172 -2.968 732 HB3 GLN 93 HB1 GLN 93 215.178 -2.928 -2.955 733 HG2 GLN 93 HG2 GLN 93 214.015 -2.694 -4.842 734 HG3 GLN 93 HG1 GLN 93 212.657 -2.401 -3.757 735 HE21 GLN 93 HE21 GLN 93 215.396 -0.306 -4.543 736 HE22 GLN 93 HE22 GLN 93 214.451 0.978 -5.204 737 H LEU 94 HN LEU 94 211.828 -3.443 -1.999 738 HA LEU 94 HA LEU 94 212.159 -5.420 -0.019 739 HB2 LEU 94 HB2 LEU 94 210.293 -6.524 -0.952 740 HB3 LEU 94 HB1 LEU 94 210.000 -4.812 -1.144 741 HG LEU 94 HG LEU 94 211.030 -6.567 -3.372 742 HD11 LEU 94 HD11 LEU 94 208.357 -6.328 -2.279 743 HD12 LEU 94 HD12 LEU 94 209.017 -7.485 -3.432 744 HD13 LEU 94 HD13 LEU 94 208.440 -5.918 -3.992 745 HD21 LEU 94 HD21 LEU 94 211.464 -4.165 -3.648 746 HD22 LEU 94 HD22 LEU 94 209.749 -3.837 -3.409 747 HD23 LEU 94 HD23 LEU 94 210.279 -4.755 -4.808 748 H SER 95 HN SER 95 212.606 -5.718 -3.565 749 HA SER 95 HA SER 95 213.804 -8.291 -3.319 750 HB2 SER 95 HB2 SER 95 212.534 -7.686 -5.310 751 HB3 SER 95 HB1 SER 95 213.686 -6.403 -5.678 752 HG SER 95 HG SER 95 213.984 -9.183 -5.878 753 H ASP 96 HN ASP 96 215.077 -5.326 -2.596 754 HA ASP 96 HA ASP 96 217.775 -6.376 -2.873 755 HB2 ASP 96 HB2 ASP 96 216.947 -3.676 -3.957 756 HB3 ASP 96 HB1 ASP 96 218.608 -4.247 -3.823 757 H ARG 97 HN ARG 97 217.845 -6.563 -0.649 758 HA ARG 97 HA ARG 97 217.212 -4.391 1.097 759 HB2 ARG 97 HB2 ARG 97 218.227 -7.146 1.363 760 HB3 ARG 97 HB1 ARG 97 218.792 -6.032 2.599 761 HG2 ARG 97 HG2 ARG 97 215.883 -6.236 1.925 762 HG3 ARG 97 HG1 ARG 97 216.649 -7.376 3.033 763 HD2 ARG 97 HD2 ARG 97 217.236 -4.544 3.558 764 HD3 ARG 97 HD1 ARG 97 215.548 -5.004 3.767 765 HE ARG 97 HE ARG 97 216.162 -6.423 5.519 766 HH11 ARG 97 HH11 ARG 97 218.953 -4.834 4.136 767 HH12 ARG 97 HH12 ARG 97 219.984 -5.224 5.470 768 HH21 ARG 97 HH21 ARG 97 217.523 -6.930 7.267 769 HH22 ARG 97 HH22 ARG 97 219.176 -6.412 7.244 770 H ASP 98 HN ASP 98 219.861 -5.114 -0.887 771 HA ASP 98 HA ASP 98 221.839 -3.778 0.756 772 HB2 ASP 98 HB2 ASP 98 222.182 -5.762 -0.926 773 HB3 ASP 98 HB1 ASP 98 222.287 -4.474 -2.122 774 H ILE 99 HN ILE 99 219.336 -2.521 -0.716 775 HA ILE 99 HA ILE 99 220.800 -0.108 -1.509 776 HB ILE 99 HB ILE 99 220.139 -1.261 -3.583 777 HG12 ILE 99 HG12 ILE 99 218.233 1.000 -3.506 778 HG13 ILE 99 HG11 ILE 99 219.882 1.365 -3.022 779 HG21 ILE 99 HG21 ILE 99 217.384 -1.064 -2.396 780 HG22 ILE 99 HG22 ILE 99 218.250 -2.509 -2.912 781 HG23 ILE 99 HG23 ILE 99 217.680 -1.351 -4.111 782 HD11 ILE 99 HD11 ILE 99 220.414 1.559 -5.157 783 HD12 ILE 99 HD12 ILE 99 218.799 1.042 -5.640 784 HD13 ILE 99 HD13 ILE 99 220.066 -0.156 -5.373 785 H VAL 100 HN VAL 100 219.801 1.800 -0.944 786 HA VAL 100 HA VAL 100 217.115 1.738 0.166 787 HB VAL 100 HB VAL 100 217.746 2.742 2.284 788 HG11 VAL 100 HG11 VAL 100 217.970 0.101 1.636 789 HG12 VAL 100 HG12 VAL 100 217.994 0.749 3.271 790 HG13 VAL 100 HG13 VAL 100 219.508 0.418 2.430 791 HG21 VAL 100 HG21 VAL 100 220.110 2.787 2.998 792 HG22 VAL 100 HG22 VAL 100 219.786 3.864 1.640 793 HG23 VAL 100 HG23 VAL 100 220.585 2.316 1.367 794 H LEU 101 HN LEU 101 216.064 3.660 0.026 795 HA LEU 101 HA LEU 101 216.809 5.592 -1.742 796 HB2 LEU 101 HB2 LEU 101 215.168 6.116 0.722 797 HB3 LEU 101 HB1 LEU 101 215.160 7.057 -0.745 798 HG LEU 101 HG LEU 101 214.412 4.176 -0.833 799 HD11 LEU 101 HD11 LEU 101 212.228 6.135 -0.576 800 HD12 LEU 101 HD12 LEU 101 213.120 5.771 0.901 801 HD13 LEU 101 HD13 LEU 101 212.336 4.473 0.001 802 HD21 LEU 101 HD21 LEU 101 214.692 5.153 -2.962 803 HD22 LEU 101 HD22 LEU 101 213.819 6.610 -2.487 804 HD23 LEU 101 HD23 LEU 101 212.952 5.087 -2.681 805 H ASP 102 HN ASP 102 217.467 7.694 -1.625 806 HA ASP 102 HA ASP 102 218.892 8.650 0.701 807 HB2 ASP 102 HB2 ASP 102 220.466 7.094 -0.322 808 HB3 ASP 102 HB1 ASP 102 220.268 7.891 -1.873 809 H ILE 103 HN ILE 103 219.936 10.796 0.187 810 HA ILE 103 HA ILE 103 218.105 12.348 -1.471 811 HB ILE 103 HB ILE 103 220.332 13.364 0.297 812 HG12 ILE 103 HG12 ILE 103 218.143 13.989 1.687 813 HG13 ILE 103 HG11 ILE 103 217.527 12.547 0.885 814 HG21 ILE 103 HG21 ILE 103 219.675 15.460 -0.197 815 HG22 ILE 103 HG22 ILE 103 217.969 15.020 -0.275 816 HG23 ILE 103 HG23 ILE 103 219.025 14.704 -1.652 817 HD11 ILE 103 HD11 ILE 103 218.972 11.154 1.989 818 HD12 ILE 103 HD12 ILE 103 218.667 12.383 3.217 819 HD13 ILE 103 HD13 ILE 103 220.156 12.429 2.274 820 H ILE 104 HN ILE 104 218.607 12.925 -3.510 821 HA ILE 104 HA ILE 104 221.112 12.270 -4.656 822 HB ILE 104 HB ILE 104 219.037 12.333 -5.964 823 HG12 ILE 104 HG12 ILE 104 220.789 14.434 -7.181 824 HG13 ILE 104 HG11 ILE 104 221.451 12.830 -6.881 825 HG21 ILE 104 HG21 ILE 104 218.449 14.627 -4.719 826 HG22 ILE 104 HG22 ILE 104 217.730 14.154 -6.258 827 HG23 ILE 104 HG23 ILE 104 219.093 15.273 -6.229 828 HD11 ILE 104 HD11 ILE 104 220.536 13.239 -9.183 829 HD12 ILE 104 HD12 ILE 104 218.933 13.289 -8.449 830 HD13 ILE 104 HD13 ILE 104 219.903 11.820 -8.348 831 H LYS 105 HN LYS 105 222.840 13.501 -5.215 832 HA LYS 105 HA LYS 105 224.261 15.281 -5.355 833 HB2 LYS 105 HB2 LYS 105 221.778 16.504 -5.581 834 HB3 LYS 105 HB1 LYS 105 222.564 17.385 -4.279 835 HG2 LYS 105 HG2 LYS 105 224.188 18.232 -5.643 836 HG3 LYS 105 HG1 LYS 105 224.108 16.873 -6.766 837 HD2 LYS 105 HD2 LYS 105 223.209 18.820 -7.851 838 HD3 LYS 105 HD1 LYS 105 221.886 17.700 -7.517 839 HE2 LYS 105 HE2 LYS 105 221.387 19.011 -5.458 840 HE3 LYS 105 HE1 LYS 105 222.610 20.178 -5.958 841 HZ1 LYS 105 HZ1 LYS 105 220.688 21.102 -6.775 842 HZ2 LYS 105 HZ2 LYS 105 219.987 19.612 -7.163 843 HZ3 LYS 105 HZ3 LYS 105 221.227 20.239 -8.127 844 H SER 106 HN SER 106 222.750 14.214 -2.565 845 HA SER 106 HA SER 106 223.164 14.411 -0.329 846 HB2 SER 106 HB2 SER 106 225.977 14.760 -1.390 847 HB3 SER 106 HB1 SER 106 225.556 14.307 0.261 848 HG SER 106 HG SER 106 224.713 12.817 -1.992 849 H ASP 107 HN ASP 107 222.521 16.918 -1.728 850 HA ASP 107 HA ASP 107 224.058 18.880 -0.188 851 HB2 ASP 107 HB2 ASP 107 223.381 18.981 -2.776 852 HB3 ASP 107 HB1 ASP 107 221.945 19.741 -2.097 853 H LYS 108 HN LYS 108 222.892 20.633 0.878 854 HA LYS 108 HA LYS 108 220.720 19.595 2.463 855 HB2 LYS 108 HB2 LYS 108 222.730 21.575 2.769 856 HB3 LYS 108 HB1 LYS 108 221.178 22.382 2.944 857 HG2 LYS 108 HG2 LYS 108 221.784 21.730 5.107 858 HG3 LYS 108 HG1 LYS 108 220.579 20.548 4.593 859 HD2 LYS 108 HD2 LYS 108 222.074 19.011 5.243 860 HD3 LYS 108 HD1 LYS 108 222.920 19.404 3.745 861 HE2 LYS 108 HE2 LYS 108 223.659 21.339 5.677 862 HE3 LYS 108 HE1 LYS 108 223.788 19.754 6.439 863 HZ1 LYS 108 HZ1 LYS 108 225.804 19.815 5.463 864 HZ2 LYS 108 HZ2 LYS 108 225.328 20.891 4.248 865 HZ3 LYS 108 HZ3 LYS 108 224.950 19.247 4.117 866 H GLU 109 HN GLU 109 220.975 21.366 -0.416 867 HA GLU 109 HA GLU 109 218.945 23.201 -0.399 868 HB2 GLU 109 HB2 GLU 109 220.314 21.620 -2.423 869 HB3 GLU 109 HB1 GLU 109 218.652 21.971 -2.877 870 HG2 GLU 109 HG2 GLU 109 219.004 24.265 -2.882 871 HG3 GLU 109 HG1 GLU 109 220.458 24.141 -1.893 872 H ALA 110 HN ALA 110 216.819 23.156 -0.101 873 HA ALA 110 HA ALA 110 215.455 20.723 0.467 874 HB1 ALA 110 HB1 ALA 110 213.915 23.202 -0.073 875 HB2 ALA 110 HB2 ALA 110 215.053 23.215 1.274 876 HB3 ALA 110 HB3 ALA 110 213.751 22.027 1.231 877 H GLY 111 HN GLY 111 213.500 19.961 -0.602 878 HA2 GLY 111 HA2 GLY 111 212.211 19.417 -2.430 879 HA3 GLY 111 HA1 GLY 111 212.875 20.816 -3.261 880 H ALA 112 HN ALA 112 215.235 18.716 -1.967 881 HA ALA 112 HA ALA 112 216.140 18.022 -4.598 882 HB1 ALA 112 HB1 ALA 112 217.156 17.742 -1.838 883 HB2 ALA 112 HB2 ALA 112 217.975 18.290 -3.300 884 HB3 ALA 112 HB3 ALA 112 217.736 16.566 -3.016 885 H HIS 113 HN HIS 113 215.840 16.184 -5.694 886 HA HIS 113 HA HIS 113 213.862 14.344 -4.893 887 HB2 HIS 113 HB2 HIS 113 215.940 13.848 -7.024 888 HB3 HIS 113 HB1 HIS 113 214.310 13.192 -6.931 889 HD1 HIS 113 HD1 HIS 113 215.057 14.568 -9.485 890 HD2 HIS 113 HD2 HIS 113 213.431 16.600 -6.245 891 HE1 HIS 113 HE1 HIS 113 214.038 16.657 -10.444 892 HE2 HIS 113 HE2 HIS 113 212.988 17.829 -8.477 893 H ILE 114 HN ILE 114 214.353 11.904 -5.056 894 HA ILE 114 HA ILE 114 216.803 11.218 -3.609 895 HB ILE 114 HB ILE 114 215.256 9.528 -2.366 896 HG12 ILE 114 HG12 ILE 114 213.259 10.371 -3.727 897 HG13 ILE 114 HG11 ILE 114 213.030 10.141 -1.999 898 HG21 ILE 114 HG21 ILE 114 216.148 10.756 -0.742 899 HG22 ILE 114 HG22 ILE 114 214.721 11.786 -0.843 900 HG23 ILE 114 HG23 ILE 114 216.171 12.196 -1.760 901 HD11 ILE 114 HD11 ILE 114 213.214 12.679 -3.557 902 HD12 ILE 114 HD12 ILE 114 213.577 12.660 -1.832 903 HD13 ILE 114 HD13 ILE 114 211.988 12.157 -2.404 904 H CYS 115 HN CYS 115 217.260 8.858 -3.666 905 HA CYS 115 HA CYS 115 215.876 7.301 -5.657 906 HB2 CYS 115 HB2 CYS 115 217.671 8.758 -6.810 907 HB3 CYS 115 HB1 CYS 115 218.836 7.722 -5.992 908 HG CYS 115 HG CYS 115 218.031 6.988 -8.532 909 H ALA 116 HN ALA 116 216.912 5.027 -5.721 910 HA ALA 116 HA ALA 116 217.682 4.365 -2.978 911 HB1 ALA 116 HB1 ALA 116 215.958 3.143 -4.770 912 HB2 ALA 116 HB2 ALA 116 216.545 2.469 -3.250 913 HB3 ALA 116 HB3 ALA 116 217.379 2.103 -4.761 914 H TRP 117 HN TRP 117 219.733 3.944 -2.487 915 HA TRP 117 HA TRP 117 221.530 3.125 -4.665 916 HB2 TRP 117 HB2 TRP 117 221.906 5.485 -4.291 917 HB3 TRP 117 HB1 TRP 117 222.148 5.208 -2.573 918 HD1 TRP 117 HD1 TRP 117 224.528 4.420 -1.794 919 HE1 TRP 117 HE1 TRP 117 226.787 4.158 -3.000 920 HE3 TRP 117 HE3 TRP 117 222.917 4.814 -6.630 921 HZ2 TRP 117 HZ2 TRP 117 227.757 4.124 -5.651 922 HZ3 TRP 117 HZ3 TRP 117 224.574 4.657 -8.442 923 HH2 TRP 117 HH2 TRP 117 226.944 4.320 -7.961 924 H LYS 118 HN LYS 118 223.529 2.202 -3.980 925 HA LYS 118 HA LYS 118 223.167 0.086 -2.152 926 HB2 LYS 118 HB2 LYS 118 224.956 0.657 -4.167 927 HB3 LYS 118 HB1 LYS 118 225.962 0.749 -2.728 928 HG2 LYS 118 HG2 LYS 118 226.139 -1.466 -3.435 929 HG3 LYS 118 HG1 LYS 118 224.984 -1.520 -2.102 930 HD2 LYS 118 HD2 LYS 118 224.036 -2.864 -3.780 931 HD3 LYS 118 HD1 LYS 118 223.171 -1.330 -3.886 932 HE2 LYS 118 HE2 LYS 118 225.605 -1.706 -5.556 933 HE3 LYS 118 HE1 LYS 118 224.124 -2.535 -6.035 934 HZ1 LYS 118 HZ1 LYS 118 223.209 -0.073 -5.560 935 HZ2 LYS 118 HZ2 LYS 118 223.719 -0.607 -7.082 936 HZ3 LYS 118 HZ3 LYS 118 224.770 0.289 -6.106 937 H GLN 119 HN GLN 119 223.277 0.090 -0.009 938 HA GLN 119 HA GLN 119 223.968 2.338 1.512 939 HB2 GLN 119 HB2 GLN 119 222.492 0.489 2.280 940 HB3 GLN 119 HB1 GLN 119 223.909 -0.543 2.425 941 HG2 GLN 119 HG2 GLN 119 224.747 1.455 3.946 942 HG3 GLN 119 HG1 GLN 119 223.012 1.707 4.130 943 HE21 GLN 119 HE21 GLN 119 221.950 0.504 5.556 944 HE22 GLN 119 HE22 GLN 119 222.587 -0.879 6.372 945 H HIS 120 HN HIS 120 225.869 3.153 2.083 946 HA HIS 120 HA HIS 120 228.181 1.362 2.304 947 HB2 HIS 120 HB2 HIS 120 229.595 3.091 1.187 948 HB3 HIS 120 HB1 HIS 120 228.415 2.338 0.121 949 HD1 HIS 120 HD1 HIS 120 226.845 4.824 2.272 950 HD2 HIS 120 HD2 HIS 120 228.852 4.823 -1.367 951 HE1 HIS 120 HE1 HIS 120 226.271 7.016 1.188 952 HE2 HIS 120 HE2 HIS 120 227.575 7.036 -0.967 953 H GLY 121 HN GLY 121 226.262 3.293 3.973 954 HA2 GLY 121 HA2 GLY 121 226.561 4.178 6.093 955 HA3 GLY 121 HA1 GLY 121 228.286 3.885 5.936 956 H GLY 122 HN GLY 122 225.871 5.907 4.252 957 HA2 GLY 122 HA2 GLY 122 227.765 8.159 4.529 958 HA3 GLY 122 HA1 GLY 122 226.696 7.950 3.152 959 HA PRO 123 HA PRO 123 224.852 10.368 7.017 960 HB2 PRO 123 HB2 PRO 123 225.675 12.739 5.421 961 HB3 PRO 123 HB1 PRO 123 225.661 12.512 7.173 962 HG2 PRO 123 HG2 PRO 123 227.951 12.465 5.815 963 HG3 PRO 123 HG1 PRO 123 227.672 11.356 7.172 964 HD2 PRO 123 HD2 PRO 123 227.595 10.817 4.235 965 HD3 PRO 123 HD1 PRO 123 228.181 9.788 5.557 966 H ASN 124 HN ASN 124 224.914 10.877 3.530 967 HA ASN 124 HA ASN 124 222.333 12.088 3.395 968 HB2 ASN 124 HB2 ASN 124 222.565 11.722 0.944 969 HB3 ASN 124 HB1 ASN 124 223.951 12.541 1.658 970 HD21 ASN 124 HD21 ASN 124 223.766 11.012 -0.808 971 HD22 ASN 124 HD22 ASN 124 224.928 9.741 -0.675 972 H GLN 125 HN GLN 125 223.222 8.950 4.069 973 HA GLN 125 HA GLN 125 220.811 7.827 2.819 974 HB2 GLN 125 HB2 GLN 125 223.294 6.484 3.893 975 HB3 GLN 125 HB1 GLN 125 221.872 5.612 3.340 976 HG2 GLN 125 HG2 GLN 125 222.155 6.584 1.110 977 HG3 GLN 125 HG1 GLN 125 223.600 7.424 1.671 978 HE21 GLN 125 HE21 GLN 125 222.797 5.043 -0.216 979 HE22 GLN 125 HE22 GLN 125 224.053 3.898 0.093 980 H LYS 126 HN LYS 126 221.426 9.311 5.560 981 HA LYS 126 HA LYS 126 220.128 7.320 7.291 982 HB2 LYS 126 HB2 LYS 126 221.228 9.862 8.392 983 HB3 LYS 126 HB1 LYS 126 221.151 8.267 9.122 984 HG2 LYS 126 HG2 LYS 126 223.044 9.110 6.937 985 HG3 LYS 126 HG1 LYS 126 223.445 8.937 8.647 986 HD2 LYS 126 HD2 LYS 126 222.178 6.577 7.448 987 HD3 LYS 126 HD1 LYS 126 223.753 6.987 6.766 988 HE2 LYS 126 HE2 LYS 126 224.177 5.505 8.558 989 HE3 LYS 126 HE1 LYS 126 224.611 7.113 9.137 990 HZ1 LYS 126 HZ1 LYS 126 222.017 5.774 9.684 991 HZ2 LYS 126 HZ2 LYS 126 222.550 7.245 10.327 992 HZ3 LYS 126 HZ3 LYS 126 223.325 5.804 10.758 993 H PHE 127 HN PHE 127 218.211 7.742 8.316 994 HA PHE 127 HA PHE 127 216.959 10.357 7.921 995 HB2 PHE 127 HB2 PHE 127 215.417 7.816 7.437 996 HB3 PHE 127 HB1 PHE 127 214.949 9.466 7.043 997 HD1 PHE 127 HD2 PHE 127 217.043 6.619 6.067 998 HD2 PHE 127 HD1 PHE 127 215.711 10.527 5.038 999 HE1 PHE 127 HE2 PHE 127 217.924 6.315 3.790 1000 HE2 PHE 127 HE1 PHE 127 216.588 10.230 2.759 1001 HZ PHE 127 HZ PHE 127 217.697 8.122 2.133 1002 H ILE 128 HN ILE 128 215.167 10.749 9.374 1003 HA ILE 128 HA ILE 128 215.337 9.090 11.800 1004 HB ILE 128 HB ILE 128 214.271 11.852 11.953 1005 HG12 ILE 128 HG12 ILE 128 217.236 11.245 11.840 1006 HG13 ILE 128 HG11 ILE 128 216.328 12.076 10.581 1007 HG21 ILE 128 HG21 ILE 128 215.489 9.838 13.717 1008 HG22 ILE 128 HG22 ILE 128 214.214 11.012 14.042 1009 HG23 ILE 128 HG23 ILE 128 215.904 11.516 14.068 1010 HD11 ILE 128 HD11 ILE 128 216.997 13.935 11.612 1011 HD12 ILE 128 HD12 ILE 128 217.393 13.079 13.103 1012 HD13 ILE 128 HD13 ILE 128 215.729 13.567 12.782 1013 H ILE 129 HN ILE 129 213.521 8.375 12.725 1014 HA ILE 129 HA ILE 129 211.001 8.901 11.305 1015 HB ILE 129 HB ILE 129 211.664 6.433 12.905 1016 HG12 ILE 129 HG12 ILE 129 213.190 6.501 11.036 1017 HG13 ILE 129 HG11 ILE 129 211.931 5.323 10.682 1018 HG21 ILE 129 HG21 ILE 129 209.245 7.330 12.267 1019 HG22 ILE 129 HG22 ILE 129 209.645 5.613 12.303 1020 HG23 ILE 129 HG23 ILE 129 209.624 6.482 10.768 1021 HD11 ILE 129 HD11 ILE 129 210.833 6.882 9.210 1022 HD12 ILE 129 HD12 ILE 129 212.527 6.717 8.748 1023 HD13 ILE 129 HD13 ILE 129 211.990 8.143 9.635 1024 H GLU 130 HN GLU 130 209.185 9.412 12.435 1025 HA GLU 130 HA GLU 130 209.304 9.415 15.364 1026 HB2 GLU 130 HB2 GLU 130 208.366 11.779 13.728 1027 HB3 GLU 130 HB1 GLU 130 208.418 11.675 15.482 1028 HG2 GLU 130 HG2 GLU 130 210.798 11.659 15.488 1029 HG3 GLU 130 HG1 GLU 130 210.856 11.486 13.735 1030 H SER 131 HN SER 131 207.823 7.768 15.525 1031 HA SER 131 HA SER 131 205.544 7.340 14.044 1032 HB2 SER 131 HB2 SER 131 205.864 6.812 17.008 1033 HB3 SER 131 HB1 SER 131 204.710 6.028 15.929 1034 HG SER 131 HG SER 131 206.453 4.677 16.103 1035 H GLU 132 HN GLU 132 204.033 8.797 13.576 1036 HA GLU 132 HA GLU 132 202.538 10.510 13.770 1037 HB2 GLU 132 HB2 GLU 132 201.531 8.532 15.065 1038 HB3 GLU 132 HB1 GLU 132 201.971 9.421 16.517 1039 HG2 GLU 132 HG2 GLU 132 200.574 11.281 15.829 1040 HG3 GLU 132 HG1 GLU 132 200.172 10.443 14.331 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 192.335 3.438 11.706 2 H2 MET 1 HT2 MET 1 192.452 1.811 11.172 3 H3 MET 1 HT3 MET 1 193.864 2.779 11.301 4 HA MET 1 HA MET 1 193.306 2.996 13.712 5 HB2 MET 1 HB2 MET 1 191.309 1.028 12.719 6 HB3 MET 1 HB1 MET 1 192.041 0.702 14.284 7 HG2 MET 1 HG2 MET 1 191.390 3.294 14.596 8 HG3 MET 1 HG1 MET 1 190.123 2.781 13.483 9 HE1 MET 1 HE1 MET 1 189.721 3.870 16.562 10 HE2 MET 1 HE2 MET 1 188.386 2.816 17.028 11 HE3 MET 1 HE3 MET 1 188.420 3.536 15.419 12 H LYS 2 HN LYS 2 193.383 -0.095 11.924 13 HA LYS 2 HA LYS 2 195.314 -1.319 13.539 14 HB2 LYS 2 HB2 LYS 2 193.984 -1.876 11.014 15 HB3 LYS 2 HB1 LYS 2 195.652 -2.430 11.007 16 HG2 LYS 2 HG2 LYS 2 193.806 -3.094 13.270 17 HG3 LYS 2 HG1 LYS 2 193.830 -4.051 11.788 18 HD2 LYS 2 HD2 LYS 2 195.756 -5.050 12.341 19 HD3 LYS 2 HD1 LYS 2 196.495 -3.530 12.850 20 HE2 LYS 2 HE2 LYS 2 194.463 -4.299 14.723 21 HE3 LYS 2 HE1 LYS 2 195.580 -5.640 14.472 22 HZ1 LYS 2 HZ1 LYS 2 196.019 -3.660 16.190 23 HZ2 LYS 2 HZ2 LYS 2 196.802 -3.032 14.829 24 HZ3 LYS 2 HZ3 LYS 2 197.261 -4.537 15.447 25 HA PRO 3 HA PRO 3 198.679 -0.031 10.334 26 HB2 PRO 3 HB2 PRO 3 197.994 1.777 8.423 27 HB3 PRO 3 HB1 PRO 3 197.845 0.031 8.196 28 HG2 PRO 3 HG2 PRO 3 195.744 2.033 8.929 29 HG3 PRO 3 HG1 PRO 3 195.651 0.682 7.784 30 HD2 PRO 3 HD2 PRO 3 194.621 0.541 10.280 31 HD3 PRO 3 HD1 PRO 3 195.304 -0.873 9.452 32 H LYS 4 HN LYS 4 200.161 1.486 10.872 33 HA LYS 4 HA LYS 4 199.155 4.022 11.990 34 HB2 LYS 4 HB2 LYS 4 201.363 3.910 13.342 35 HB3 LYS 4 HB1 LYS 4 200.005 2.916 13.851 36 HG2 LYS 4 HG2 LYS 4 200.993 0.978 12.764 37 HG3 LYS 4 HG1 LYS 4 202.341 1.969 12.203 38 HD2 LYS 4 HD2 LYS 4 202.717 2.515 14.681 39 HD3 LYS 4 HD1 LYS 4 201.651 1.147 15.008 40 HE2 LYS 4 HE2 LYS 4 203.544 -0.057 14.948 41 HE3 LYS 4 HE1 LYS 4 203.358 0.061 13.199 42 HZ1 LYS 4 HZ1 LYS 4 205.067 1.497 13.024 43 HZ2 LYS 4 HZ2 LYS 4 205.561 0.788 14.478 44 HZ3 LYS 4 HZ3 LYS 4 204.740 2.267 14.496 45 H PHE 5 HN PHE 5 200.113 5.897 11.370 46 HA PHE 5 HA PHE 5 201.964 5.720 9.123 47 HB2 PHE 5 HB2 PHE 5 200.666 8.230 10.175 48 HB3 PHE 5 HB1 PHE 5 201.320 7.936 8.566 49 HD1 PHE 5 HD2 PHE 5 200.152 6.158 7.135 50 HD2 PHE 5 HD1 PHE 5 198.407 7.909 10.598 51 HE1 PHE 5 HE2 PHE 5 197.923 5.468 6.354 52 HE2 PHE 5 HE1 PHE 5 196.174 7.223 9.824 53 HZ PHE 5 HZ PHE 5 195.930 6.001 7.700 54 H PHE 6 HN PHE 6 203.574 7.724 9.067 55 HA PHE 6 HA PHE 6 204.596 8.464 11.671 56 HB2 PHE 6 HB2 PHE 6 206.860 7.296 10.331 57 HB3 PHE 6 HB1 PHE 6 206.269 7.024 11.958 58 HD1 PHE 6 HD2 PHE 6 204.647 5.198 12.385 59 HD2 PHE 6 HD1 PHE 6 206.479 5.759 8.586 60 HE1 PHE 6 HE2 PHE 6 204.034 2.901 11.754 61 HE2 PHE 6 HE1 PHE 6 205.872 3.462 7.949 62 HZ PHE 6 HZ PHE 6 204.647 2.029 9.534 63 H TYR 7 HN TYR 7 206.850 9.528 11.385 64 HA TYR 7 HA TYR 7 206.719 11.172 8.956 65 HB2 TYR 7 HB2 TYR 7 206.686 11.955 11.681 66 HB3 TYR 7 HB1 TYR 7 208.239 12.457 11.022 67 HD1 TYR 7 HD2 TYR 7 208.219 13.844 8.874 68 HD2 TYR 7 HD1 TYR 7 204.754 13.210 11.259 69 HE1 TYR 7 HE2 TYR 7 207.156 15.803 7.838 70 HE2 TYR 7 HE1 TYR 7 203.680 15.168 10.229 71 HH TYR 7 HH TYR 7 205.364 17.443 8.410 72 H ILE 8 HN ILE 8 208.392 11.018 7.618 73 HA ILE 8 HA ILE 8 210.864 9.792 8.631 74 HB ILE 8 HB ILE 8 210.909 9.977 5.783 75 HG12 ILE 8 HG12 ILE 8 208.427 10.083 5.945 76 HG13 ILE 8 HG11 ILE 8 208.999 8.622 5.149 77 HG21 ILE 8 HG21 ILE 8 212.016 8.357 7.409 78 HG22 ILE 8 HG22 ILE 8 211.399 7.689 5.898 79 HG23 ILE 8 HG23 ILE 8 210.486 7.479 7.392 80 HD11 ILE 8 HD11 ILE 8 208.824 7.805 7.738 81 HD12 ILE 8 HD12 ILE 8 207.578 7.578 6.511 82 HD13 ILE 8 HD13 ILE 8 207.484 8.945 7.621 83 H LYS 9 HN LYS 9 212.323 11.274 9.171 84 HA LYS 9 HA LYS 9 212.519 13.719 7.564 85 HB2 LYS 9 HB2 LYS 9 212.140 14.212 9.846 86 HB3 LYS 9 HB1 LYS 9 213.327 13.029 10.377 87 HG2 LYS 9 HG2 LYS 9 214.976 14.507 10.280 88 HG3 LYS 9 HG1 LYS 9 214.506 15.038 8.664 89 HD2 LYS 9 HD2 LYS 9 213.198 16.723 9.446 90 HD3 LYS 9 HD1 LYS 9 212.805 15.868 10.939 91 HE2 LYS 9 HE2 LYS 9 215.545 16.971 10.369 92 HE3 LYS 9 HE1 LYS 9 214.289 17.917 11.164 93 HZ1 LYS 9 HZ1 LYS 9 216.052 16.297 12.416 94 HZ2 LYS 9 HZ2 LYS 9 214.678 15.314 12.326 95 HZ3 LYS 9 HZ3 LYS 9 214.586 16.829 13.072 96 H SER 10 HN SER 10 214.348 14.261 6.495 97 HA SER 10 HA SER 10 216.371 12.255 6.126 98 HB2 SER 10 HB2 SER 10 217.301 13.744 4.473 99 HB3 SER 10 HB1 SER 10 215.546 13.787 4.299 100 HG SER 10 HG SER 10 215.701 15.699 5.743 101 H GLU 11 HN GLU 11 217.794 11.956 7.710 102 HA GLU 11 HA GLU 11 218.504 13.845 9.652 103 HB2 GLU 11 HB2 GLU 11 218.723 11.472 10.079 104 HB3 GLU 11 HB1 GLU 11 219.911 11.316 8.794 105 HG2 GLU 11 HG2 GLU 11 221.589 11.989 10.099 106 HG3 GLU 11 HG1 GLU 11 220.636 13.286 10.818 107 H LEU 12 HN LEU 12 219.441 13.667 6.437 108 HA LEU 12 HA LEU 12 222.101 14.733 6.816 109 HB2 LEU 12 HB2 LEU 12 221.614 13.272 4.913 110 HB3 LEU 12 HB1 LEU 12 220.429 14.421 4.321 111 HG LEU 12 HG LEU 12 222.353 16.091 4.149 112 HD11 LEU 12 HD11 LEU 12 224.522 14.613 3.682 113 HD12 LEU 12 HD12 LEU 12 223.788 13.629 4.948 114 HD13 LEU 12 HD13 LEU 12 224.173 15.322 5.259 115 HD21 LEU 12 HD21 LEU 12 222.100 13.643 2.428 116 HD22 LEU 12 HD22 LEU 12 223.195 14.964 2.021 117 HD23 LEU 12 HD23 LEU 12 221.461 15.263 2.145 118 H ASN 13 HN ASN 13 219.207 15.966 5.118 119 HA ASN 13 HA ASN 13 220.173 18.679 5.305 120 HB2 ASN 13 HB2 ASN 13 217.470 17.844 4.291 121 HB3 ASN 13 HB1 ASN 13 218.444 19.220 3.803 122 HD21 ASN 13 HD21 ASN 13 217.248 16.594 2.596 123 HD22 ASN 13 HD22 ASN 13 218.521 16.055 1.560 124 H GLY 14 HN GLY 14 218.285 16.673 7.288 125 HA2 GLY 14 HA2 GLY 14 217.191 17.186 9.262 126 HA3 GLY 14 HA1 GLY 14 217.581 18.881 8.991 127 H LYS 15 HN LYS 15 216.222 17.701 6.217 128 HA LYS 15 HA LYS 15 213.673 18.974 6.778 129 HB2 LYS 15 HB2 LYS 15 214.663 17.821 4.169 130 HB3 LYS 15 HB1 LYS 15 213.389 19.001 4.398 131 HG2 LYS 15 HG2 LYS 15 216.329 19.428 4.859 132 HG3 LYS 15 HG1 LYS 15 215.360 20.079 3.536 133 HD2 LYS 15 HD2 LYS 15 214.616 20.661 6.376 134 HD3 LYS 15 HD1 LYS 15 215.902 21.577 5.590 135 HE2 LYS 15 HE2 LYS 15 213.384 21.269 4.074 136 HE3 LYS 15 HE1 LYS 15 213.316 22.290 5.509 137 HZ1 LYS 15 HZ1 LYS 15 215.485 22.675 3.562 138 HZ2 LYS 15 HZ2 LYS 15 214.784 23.793 4.619 139 HZ3 LYS 15 HZ3 LYS 15 213.952 23.307 3.230 140 H VAL 16 HN VAL 16 211.836 17.745 5.326 141 HA VAL 16 HA VAL 16 211.900 14.925 6.181 142 HB VAL 16 HB VAL 16 209.366 15.150 6.301 143 HG11 VAL 16 HG11 VAL 16 209.408 15.956 8.578 144 HG12 VAL 16 HG12 VAL 16 210.964 16.739 8.304 145 HG13 VAL 16 HG13 VAL 16 210.845 14.979 8.271 146 HG21 VAL 16 HG21 VAL 16 209.867 18.075 6.695 147 HG22 VAL 16 HG22 VAL 16 208.345 17.233 6.407 148 HG23 VAL 16 HG23 VAL 16 209.505 17.430 5.094 149 H LEU 17 HN LEU 17 211.183 13.408 4.738 150 HA LEU 17 HA LEU 17 211.203 14.135 1.979 151 HB2 LEU 17 HB2 LEU 17 210.162 11.497 2.946 152 HB3 LEU 17 HB1 LEU 17 211.096 11.856 1.507 153 HG LEU 17 HG LEU 17 212.110 11.717 4.344 154 HD11 LEU 17 HD11 LEU 17 211.688 9.681 2.655 155 HD12 LEU 17 HD12 LEU 17 213.013 9.716 3.818 156 HD13 LEU 17 HD13 LEU 17 213.303 10.163 2.137 157 HD21 LEU 17 HD21 LEU 17 214.340 11.981 2.888 158 HD22 LEU 17 HD22 LEU 17 213.507 13.349 3.627 159 HD23 LEU 17 HD23 LEU 17 213.249 12.975 1.923 160 H ASP 18 HN ASP 18 209.518 14.443 0.571 161 HA ASP 18 HA ASP 18 206.796 13.910 1.509 162 HB2 ASP 18 HB2 ASP 18 207.582 16.335 1.943 163 HB3 ASP 18 HB1 ASP 18 207.471 16.533 0.196 164 H ILE 19 HN ILE 19 205.223 13.792 -0.173 165 HA ILE 19 HA ILE 19 206.402 13.073 -2.765 166 HB ILE 19 HB ILE 19 203.533 12.551 -2.139 167 HG12 ILE 19 HG12 ILE 19 205.854 10.955 -1.031 168 HG13 ILE 19 HG11 ILE 19 204.618 11.799 -0.104 169 HG21 ILE 19 HG21 ILE 19 204.075 10.472 -3.440 170 HG22 ILE 19 HG22 ILE 19 205.678 11.152 -3.715 171 HG23 ILE 19 HG23 ILE 19 204.251 11.986 -4.328 172 HD11 ILE 19 HD11 ILE 19 204.604 9.138 -1.185 173 HD12 ILE 19 HD12 ILE 19 203.214 10.057 -1.758 174 HD13 ILE 19 HD13 ILE 19 203.508 9.888 -0.027 175 H GLU 20 HN GLU 20 206.277 14.522 -4.359 176 HA GLU 20 HA GLU 20 204.756 16.891 -4.178 177 HB2 GLU 20 HB2 GLU 20 206.668 15.715 -6.008 178 HB3 GLU 20 HB1 GLU 20 205.363 16.502 -6.886 179 HG2 GLU 20 HG2 GLU 20 205.787 18.580 -5.771 180 HG3 GLU 20 HG1 GLU 20 206.975 17.819 -4.715 181 H GLY 21 HN GLY 21 202.592 16.540 -3.942 182 HA2 GLY 21 HA2 GLY 21 200.870 16.463 -5.999 183 HA3 GLY 21 HA1 GLY 21 201.185 14.753 -5.741 184 H GLN 22 HN GLN 22 201.405 14.761 -2.927 185 HA GLN 22 HA GLN 22 200.074 14.439 -1.118 186 HB2 GLN 22 HB2 GLN 22 200.290 16.985 -1.267 187 HB3 GLN 22 HB1 GLN 22 198.660 16.973 -1.926 188 HG2 GLN 22 HG2 GLN 22 197.792 16.004 0.088 189 HG3 GLN 22 HG1 GLN 22 199.418 15.808 0.742 190 HE21 GLN 22 HE21 GLN 22 196.728 17.823 0.501 191 HE22 GLN 22 HE22 GLN 22 197.407 19.237 1.224 192 H ASN 23 HN ASN 23 199.227 12.896 -3.151 193 HA ASN 23 HA ASN 23 196.562 12.336 -2.489 194 HB2 ASN 23 HB2 ASN 23 196.860 14.347 -4.508 195 HB3 ASN 23 HB1 ASN 23 196.164 12.905 -5.242 196 HD21 ASN 23 HD21 ASN 23 194.054 13.069 -5.341 197 HD22 ASN 23 HD22 ASN 23 193.019 13.717 -4.119 198 HA PRO 24 HA PRO 24 197.379 8.468 -4.418 199 HB2 PRO 24 HB2 PRO 24 194.896 8.561 -6.013 200 HB3 PRO 24 HB1 PRO 24 195.379 7.426 -4.749 201 HG2 PRO 24 HG2 PRO 24 193.477 9.260 -4.321 202 HG3 PRO 24 HG1 PRO 24 194.616 8.791 -3.046 203 HD2 PRO 24 HD2 PRO 24 194.616 11.229 -4.786 204 HD3 PRO 24 HD1 PRO 24 194.973 11.082 -3.051 205 H ALA 25 HN ALA 25 196.858 11.198 -6.408 206 HA ALA 25 HA ALA 25 196.943 10.432 -8.991 207 HB1 ALA 25 HB1 ALA 25 197.619 12.527 -9.464 208 HB2 ALA 25 HB2 ALA 25 198.987 12.453 -8.354 209 HB3 ALA 25 HB3 ALA 25 197.367 12.775 -7.736 210 HA PRO 26 HA PRO 26 200.551 7.622 -8.755 211 HB2 PRO 26 HB2 PRO 26 199.541 6.951 -11.459 212 HB3 PRO 26 HB1 PRO 26 199.920 5.885 -10.104 213 HG2 PRO 26 HG2 PRO 26 197.391 6.370 -10.796 214 HG3 PRO 26 HG1 PRO 26 197.860 6.221 -9.092 215 HD2 PRO 26 HD2 PRO 26 197.311 8.689 -10.698 216 HD3 PRO 26 HD1 PRO 26 196.844 8.306 -9.027 217 H GLY 27 HN GLY 27 202.588 7.863 -9.591 218 HA2 GLY 27 HA2 GLY 27 204.120 8.420 -11.324 219 HA3 GLY 27 HA1 GLY 27 202.898 9.468 -12.028 220 H SER 28 HN SER 28 202.876 9.989 -8.747 221 HA SER 28 HA SER 28 204.042 12.568 -9.017 222 HB2 SER 28 HB2 SER 28 203.239 11.078 -6.507 223 HB3 SER 28 HB1 SER 28 203.564 12.807 -6.625 224 HG SER 28 HG SER 28 201.774 13.013 -7.970 225 H LYS 29 HN LYS 29 205.990 13.320 -8.415 226 HA LYS 29 HA LYS 29 208.067 11.364 -7.882 227 HB2 LYS 29 HB2 LYS 29 207.964 14.161 -8.850 228 HB3 LYS 29 HB1 LYS 29 209.384 13.727 -7.909 229 HG2 LYS 29 HG2 LYS 29 209.928 13.380 -10.182 230 HG3 LYS 29 HG1 LYS 29 209.701 11.784 -9.463 231 HD2 LYS 29 HD2 LYS 29 207.239 12.095 -10.311 232 HD3 LYS 29 HD1 LYS 29 207.985 13.255 -11.412 233 HE2 LYS 29 HE2 LYS 29 209.672 11.137 -11.643 234 HE3 LYS 29 HE1 LYS 29 208.133 10.322 -11.365 235 HZ1 LYS 29 HZ1 LYS 29 207.198 11.649 -13.201 236 HZ2 LYS 29 HZ2 LYS 29 208.453 10.633 -13.703 237 HZ3 LYS 29 HZ3 LYS 29 208.734 12.289 -13.506 238 H ILE 30 HN ILE 30 209.626 11.654 -6.160 239 HA ILE 30 HA ILE 30 208.419 12.971 -3.808 240 HB ILE 30 HB ILE 30 209.558 11.307 -2.404 241 HG12 ILE 30 HG12 ILE 30 210.219 9.927 -5.014 242 HG13 ILE 30 HG11 ILE 30 211.387 10.792 -4.020 243 HG21 ILE 30 HG21 ILE 30 208.186 9.292 -3.359 244 HG22 ILE 30 HG22 ILE 30 207.570 10.508 -4.478 245 HG23 ILE 30 HG23 ILE 30 207.360 10.722 -2.740 246 HD11 ILE 30 HD11 ILE 30 210.098 8.969 -2.322 247 HD12 ILE 30 HD12 ILE 30 211.758 8.917 -2.916 248 HD13 ILE 30 HD13 ILE 30 210.476 8.101 -3.808 249 H ILE 31 HN ILE 31 209.718 14.122 -2.399 250 HA ILE 31 HA ILE 31 212.565 14.345 -2.831 251 HB ILE 31 HB ILE 31 212.674 16.646 -3.374 252 HG12 ILE 31 HG12 ILE 31 210.627 17.258 -1.993 253 HG13 ILE 31 HG11 ILE 31 210.842 18.144 -3.495 254 HG21 ILE 31 HG21 ILE 31 210.566 15.440 -5.156 255 HG22 ILE 31 HG22 ILE 31 212.293 15.098 -5.253 256 HG23 ILE 31 HG23 ILE 31 211.697 16.725 -5.576 257 HD11 ILE 31 HD11 ILE 31 208.562 16.838 -2.643 258 HD12 ILE 31 HD12 ILE 31 209.233 15.786 -3.889 259 HD13 ILE 31 HD13 ILE 31 208.878 17.473 -4.257 260 H THR 32 HN THR 32 213.314 16.372 -1.386 261 HA THR 32 HA THR 32 212.046 15.876 1.222 262 HB THR 32 HB THR 32 214.066 16.293 2.258 263 HG1 THR 32 HG1 THR 32 214.976 18.094 1.718 264 HG21 THR 32 HG21 THR 32 215.930 15.327 0.913 265 HG22 THR 32 HG22 THR 32 214.818 15.247 -0.455 266 HG23 THR 32 HG23 THR 32 214.483 14.322 1.009 267 H TRP 33 HN TRP 33 211.491 17.602 2.623 268 HA TRP 33 HA TRP 33 211.719 20.327 1.690 269 HB2 TRP 33 HB2 TRP 33 209.687 19.266 0.530 270 HB3 TRP 33 HB1 TRP 33 208.936 19.252 2.122 271 HD1 TRP 33 HD1 TRP 33 207.312 21.207 2.307 272 HE1 TRP 33 HE1 TRP 33 207.291 23.674 1.575 273 HE3 TRP 33 HE3 TRP 33 211.803 21.370 -0.130 274 HZ2 TRP 33 HZ2 TRP 33 208.958 25.453 0.154 275 HZ3 TRP 33 HZ3 TRP 33 212.516 23.494 -1.148 276 HH2 TRP 33 HH2 TRP 33 211.121 25.492 -1.009 277 H ASP 34 HN ASP 34 210.482 21.829 3.265 278 HA ASP 34 HA ASP 34 211.381 21.224 5.897 279 HB2 ASP 34 HB2 ASP 34 209.484 23.444 5.124 280 HB3 ASP 34 HB1 ASP 34 210.578 23.393 6.503 281 H GLN 35 HN GLN 35 210.301 20.451 7.630 282 HA GLN 35 HA GLN 35 207.972 18.963 7.333 283 HB2 GLN 35 HB2 GLN 35 209.833 19.209 9.284 284 HB3 GLN 35 HB1 GLN 35 208.485 20.054 10.032 285 HG2 GLN 35 HG2 GLN 35 207.182 18.169 10.142 286 HG3 GLN 35 HG1 GLN 35 208.024 17.379 8.809 287 HE21 GLN 35 HE21 GLN 35 207.567 15.879 10.938 288 HE22 GLN 35 HE22 GLN 35 209.005 15.622 11.860 289 H LYS 36 HN LYS 36 205.885 19.465 7.246 290 HA LYS 36 HA LYS 36 205.082 22.228 7.718 291 HB2 LYS 36 HB2 LYS 36 203.389 19.975 6.638 292 HB3 LYS 36 HB1 LYS 36 203.079 21.701 6.513 293 HG2 LYS 36 HG2 LYS 36 205.639 20.914 5.369 294 HG3 LYS 36 HG1 LYS 36 204.256 20.133 4.599 295 HD2 LYS 36 HD2 LYS 36 203.973 23.021 5.125 296 HD3 LYS 36 HD1 LYS 36 205.180 22.577 3.917 297 HE2 LYS 36 HE2 LYS 36 203.623 21.742 2.469 298 HE3 LYS 36 HE1 LYS 36 202.512 21.282 3.758 299 HZ1 LYS 36 HZ1 LYS 36 202.466 23.925 4.000 300 HZ2 LYS 36 HZ2 LYS 36 201.395 23.069 3.009 301 HZ3 LYS 36 HZ3 LYS 36 202.762 23.803 2.338 302 H LYS 37 HN LYS 37 203.044 22.667 8.860 303 HA LYS 37 HA LYS 37 202.529 20.730 11.019 304 HB2 LYS 37 HB2 LYS 37 202.496 23.731 11.353 305 HB3 LYS 37 HB1 LYS 37 202.345 22.516 12.615 306 HG2 LYS 37 HG2 LYS 37 204.801 22.299 11.043 307 HG3 LYS 37 HG1 LYS 37 204.643 23.811 11.937 308 HD2 LYS 37 HD2 LYS 37 205.279 22.752 13.785 309 HD3 LYS 37 HD1 LYS 37 203.834 21.745 13.681 310 HE2 LYS 37 HE2 LYS 37 205.741 20.304 13.793 311 HE3 LYS 37 HE1 LYS 37 205.086 20.223 12.158 312 HZ1 LYS 37 HZ1 LYS 37 206.910 21.182 11.285 313 HZ2 LYS 37 HZ2 LYS 37 207.659 20.599 12.685 314 HZ3 LYS 37 HZ3 LYS 37 207.157 22.212 12.604 315 H GLY 38 HN GLY 38 200.592 19.917 10.429 316 HA2 GLY 38 HA2 GLY 38 198.202 20.952 10.951 317 HA3 GLY 38 HA1 GLY 38 198.525 21.692 9.390 318 HA PRO 39 HA PRO 39 196.427 17.656 8.566 319 HB2 PRO 39 HB2 PRO 39 194.898 19.137 6.580 320 HB3 PRO 39 HB1 PRO 39 194.322 18.259 7.998 321 HG2 PRO 39 HG2 PRO 39 194.229 20.965 7.797 322 HG3 PRO 39 HG1 PRO 39 194.404 20.115 9.343 323 HD2 PRO 39 HD2 PRO 39 196.497 21.454 7.666 324 HD3 PRO 39 HD1 PRO 39 196.285 21.472 9.431 325 H THR 40 HN THR 40 198.500 19.680 6.919 326 HA THR 40 HA THR 40 198.408 18.082 4.459 327 HB THR 40 HB THR 40 198.307 20.468 4.071 328 HG1 THR 40 HG1 THR 40 200.925 19.563 3.476 329 HG21 THR 40 HG21 THR 40 200.468 20.569 6.048 330 HG22 THR 40 HG22 THR 40 199.239 21.765 5.637 331 HG23 THR 40 HG23 THR 40 200.683 21.606 4.638 332 H ALA 41 HN ALA 41 199.594 17.334 7.134 333 HA ALA 41 HA ALA 41 202.435 17.165 6.534 334 HB1 ALA 41 HB1 ALA 41 200.861 17.161 8.904 335 HB2 ALA 41 HB2 ALA 41 202.615 17.220 8.744 336 HB3 ALA 41 HB3 ALA 41 201.792 15.664 8.849 337 H VAL 42 HN VAL 42 199.591 15.274 6.227 338 HA VAL 42 HA VAL 42 200.414 12.642 6.412 339 HB VAL 42 HB VAL 42 198.548 13.915 4.390 340 HG11 VAL 42 HG11 VAL 42 199.527 11.370 4.208 341 HG12 VAL 42 HG12 VAL 42 197.991 11.923 3.549 342 HG13 VAL 42 HG13 VAL 42 198.041 11.137 5.124 343 HG21 VAL 42 HG21 VAL 42 198.313 13.197 7.214 344 HG22 VAL 42 HG22 VAL 42 197.002 12.589 6.203 345 HG23 VAL 42 HG23 VAL 42 197.359 14.316 6.240 346 H ASN 43 HN ASN 43 201.062 14.984 3.869 347 HA ASN 43 HA ASN 43 202.005 13.161 1.944 348 HB2 ASN 43 HB2 ASN 43 201.481 15.847 1.972 349 HB3 ASN 43 HB1 ASN 43 203.239 15.825 1.883 350 HD21 ASN 43 HD21 ASN 43 202.543 16.889 -0.207 351 HD22 ASN 43 HD22 ASN 43 202.353 15.846 -1.571 352 H GLN 44 HN GLN 44 203.351 13.995 4.892 353 HA GLN 44 HA GLN 44 206.031 13.193 3.977 354 HB2 GLN 44 HB2 GLN 44 205.131 15.184 6.024 355 HB3 GLN 44 HB1 GLN 44 206.658 14.351 6.252 356 HG2 GLN 44 HG2 GLN 44 207.693 15.545 4.672 357 HG3 GLN 44 HG1 GLN 44 206.312 15.476 3.579 358 HE21 GLN 44 HE21 GLN 44 207.823 17.758 3.851 359 HE22 GLN 44 HE22 GLN 44 206.880 18.984 4.620 360 H LEU 45 HN LEU 45 203.396 11.976 5.235 361 HA LEU 45 HA LEU 45 204.790 10.392 7.268 362 HB2 LEU 45 HB2 LEU 45 201.923 11.206 7.066 363 HB3 LEU 45 HB1 LEU 45 202.457 9.977 8.142 364 HG LEU 45 HG LEU 45 204.112 12.223 8.600 365 HD11 LEU 45 HD11 LEU 45 201.528 13.251 9.338 366 HD12 LEU 45 HD12 LEU 45 201.662 13.064 7.593 367 HD13 LEU 45 HD13 LEU 45 202.847 14.031 8.465 368 HD21 LEU 45 HD21 LEU 45 203.847 11.026 10.486 369 HD22 LEU 45 HD22 LEU 45 202.218 10.506 10.054 370 HD23 LEU 45 HD23 LEU 45 202.477 12.106 10.749 371 H TRP 46 HN TRP 46 204.690 8.214 7.209 372 HA TRP 46 HA TRP 46 203.112 6.974 5.071 373 HB2 TRP 46 HB2 TRP 46 206.008 6.442 5.725 374 HB3 TRP 46 HB1 TRP 46 205.041 5.526 4.580 375 HD1 TRP 46 HD1 TRP 46 205.860 9.306 5.052 376 HE1 TRP 46 HE1 TRP 46 206.386 10.286 2.730 377 HE3 TRP 46 HE3 TRP 46 205.187 5.102 2.220 378 HZ2 TRP 46 HZ2 TRP 46 206.496 9.397 0.054 379 HZ3 TRP 46 HZ3 TRP 46 205.516 5.252 -0.211 380 HH2 TRP 46 HH2 TRP 46 206.157 7.358 -1.272 381 H TYR 47 HN TYR 47 203.084 4.547 5.311 382 HA TYR 47 HA TYR 47 203.261 3.712 8.108 383 HB2 TYR 47 HB2 TYR 47 201.074 2.810 8.175 384 HB3 TYR 47 HB1 TYR 47 200.893 4.421 7.497 385 HD1 TYR 47 HD2 TYR 47 201.180 0.840 6.509 386 HD2 TYR 47 HD1 TYR 47 199.751 4.715 5.488 387 HE1 TYR 47 HE2 TYR 47 199.971 -0.117 4.594 388 HE2 TYR 47 HE1 TYR 47 198.535 3.768 3.573 389 HH TYR 47 HH TYR 47 197.621 1.618 2.852 390 H THR 48 HN THR 48 203.235 1.312 8.336 391 HA THR 48 HA THR 48 204.485 0.076 5.981 392 HB THR 48 HB THR 48 205.360 -1.593 7.671 393 HG1 THR 48 HG1 THR 48 205.312 -0.861 9.849 394 HG21 THR 48 HG21 THR 48 206.132 1.294 7.828 395 HG22 THR 48 HG22 THR 48 206.956 -0.033 7.010 396 HG23 THR 48 HG23 THR 48 206.959 0.054 8.771 397 H ASP 49 HN ASP 49 203.631 -1.702 5.036 398 HA ASP 49 HA ASP 49 200.965 -2.447 5.794 399 HB2 ASP 49 HB2 ASP 49 201.698 -2.299 3.427 400 HB3 ASP 49 HB1 ASP 49 202.762 -3.676 3.691 401 H GLN 50 HN GLN 50 200.335 -4.781 5.952 402 HA GLN 50 HA GLN 50 201.467 -5.971 8.192 403 HB2 GLN 50 HB2 GLN 50 199.533 -6.813 6.109 404 HB3 GLN 50 HB1 GLN 50 200.266 -8.097 7.060 405 HG2 GLN 50 HG2 GLN 50 199.003 -5.717 8.366 406 HG3 GLN 50 HG1 GLN 50 198.047 -7.108 7.858 407 HE21 GLN 50 HE21 GLN 50 197.477 -7.624 9.963 408 HE22 GLN 50 HE22 GLN 50 198.597 -8.313 11.083 409 H GLN 51 HN GLN 51 202.476 -6.118 4.899 410 HA GLN 51 HA GLN 51 204.223 -8.408 5.464 411 HB2 GLN 51 HB2 GLN 51 203.369 -7.129 2.868 412 HB3 GLN 51 HB1 GLN 51 204.604 -8.376 2.970 413 HG2 GLN 51 HG2 GLN 51 202.079 -9.042 4.299 414 HG3 GLN 51 HG1 GLN 51 201.968 -8.834 2.552 415 HE21 GLN 51 HE21 GLN 51 201.880 -10.810 1.736 416 HE22 GLN 51 HE22 GLN 51 202.980 -12.095 2.086 417 H GLY 52 HN GLY 52 204.344 -5.126 5.649 418 HA2 GLY 52 HA2 GLY 52 206.376 -4.044 6.298 419 HA3 GLY 52 HA1 GLY 52 207.256 -5.154 5.259 420 H VAL 53 HN VAL 53 204.616 -4.231 3.514 421 HA VAL 53 HA VAL 53 206.185 -2.486 1.858 422 HB VAL 53 HB VAL 53 203.247 -3.117 1.575 423 HG11 VAL 53 HG11 VAL 53 203.643 -1.435 0.071 424 HG12 VAL 53 HG12 VAL 53 204.050 -2.842 -0.911 425 HG13 VAL 53 HG13 VAL 53 205.331 -1.889 -0.161 426 HG21 VAL 53 HG21 VAL 53 205.661 -4.684 0.701 427 HG22 VAL 53 HG22 VAL 53 204.081 -4.869 -0.061 428 HG23 VAL 53 HG23 VAL 53 204.281 -5.235 1.653 429 H ILE 54 HN ILE 54 206.432 -0.405 2.335 430 HA ILE 54 HA ILE 54 204.587 0.954 4.050 431 HB ILE 54 HB ILE 54 206.086 2.983 3.407 432 HG12 ILE 54 HG12 ILE 54 208.262 1.046 2.976 433 HG13 ILE 54 HG11 ILE 54 207.152 1.227 1.620 434 HG21 ILE 54 HG21 ILE 54 207.434 0.814 4.966 435 HG22 ILE 54 HG22 ILE 54 205.967 1.598 5.553 436 HG23 ILE 54 HG23 ILE 54 207.420 2.553 5.261 437 HD11 ILE 54 HD11 ILE 54 209.245 2.977 2.529 438 HD12 ILE 54 HD12 ILE 54 207.701 3.823 2.432 439 HD13 ILE 54 HD13 ILE 54 208.341 2.989 1.015 440 H ARG 55 HN ARG 55 203.362 2.717 3.615 441 HA ARG 55 HA ARG 55 203.052 3.719 0.914 442 HB2 ARG 55 HB2 ARG 55 200.493 2.878 2.196 443 HB3 ARG 55 HB1 ARG 55 200.882 3.060 0.495 444 HG2 ARG 55 HG2 ARG 55 202.085 0.832 2.089 445 HG3 ARG 55 HG1 ARG 55 200.445 0.706 1.456 446 HD2 ARG 55 HD2 ARG 55 201.968 1.643 -0.683 447 HD3 ARG 55 HD1 ARG 55 202.974 0.423 0.089 448 HE ARG 55 HE ARG 55 201.406 -1.207 -0.457 449 HH11 ARG 55 HH11 ARG 55 200.291 1.956 -1.423 450 HH12 ARG 55 HH12 ARG 55 199.055 1.339 -2.464 451 HH21 ARG 55 HH21 ARG 55 199.781 -2.018 -1.825 452 HH22 ARG 55 HH22 ARG 55 198.763 -0.916 -2.691 453 H SER 56 HN SER 56 202.565 5.833 0.966 454 HA SER 56 HA SER 56 202.699 7.284 3.323 455 HB2 SER 56 HB2 SER 56 201.965 9.213 2.046 456 HB3 SER 56 HB1 SER 56 203.090 8.255 1.087 457 HG SER 56 HG SER 56 201.574 7.981 -0.331 458 H LYS 57 HN LYS 57 201.261 8.527 4.437 459 HA LYS 57 HA LYS 57 198.996 7.179 5.321 460 HB2 LYS 57 HB2 LYS 57 200.228 8.761 6.690 461 HB3 LYS 57 HB1 LYS 57 199.778 10.078 5.618 462 HG2 LYS 57 HG2 LYS 57 197.417 9.646 6.177 463 HG3 LYS 57 HG1 LYS 57 197.963 8.452 7.351 464 HD2 LYS 57 HD2 LYS 57 199.025 10.094 8.678 465 HD3 LYS 57 HD1 LYS 57 198.906 11.306 7.401 466 HE2 LYS 57 HE2 LYS 57 196.446 11.255 7.633 467 HE3 LYS 57 HE1 LYS 57 196.620 10.120 8.971 468 HZ1 LYS 57 HZ1 LYS 57 197.228 12.983 8.871 469 HZ2 LYS 57 HZ2 LYS 57 198.174 12.006 9.876 470 HZ3 LYS 57 HZ3 LYS 57 196.499 12.077 10.100 471 H LEU 58 HN LEU 58 199.404 8.960 2.489 472 HA LEU 58 HA LEU 58 197.166 10.420 2.015 473 HB2 LEU 58 HB2 LEU 58 198.642 8.508 0.222 474 HB3 LEU 58 HB1 LEU 58 197.304 9.470 -0.368 475 HG LEU 58 HG LEU 58 198.502 11.441 -0.296 476 HD11 LEU 58 HD11 LEU 58 200.526 10.238 1.577 477 HD12 LEU 58 HD12 LEU 58 199.142 11.189 2.108 478 HD13 LEU 58 HD13 LEU 58 200.381 11.925 1.092 479 HD21 LEU 58 HD21 LEU 58 201.038 10.493 -0.786 480 HD22 LEU 58 HD22 LEU 58 199.748 10.663 -1.976 481 HD23 LEU 58 HD23 LEU 58 200.011 9.113 -1.179 482 H ASN 59 HN ASN 59 197.441 6.902 1.587 483 HA ASN 59 HA ASN 59 194.948 6.225 2.579 484 HB2 ASN 59 HB2 ASN 59 194.594 7.544 0.175 485 HB3 ASN 59 HB1 ASN 59 194.551 5.849 -0.298 486 HD21 ASN 59 HD21 ASN 59 193.267 4.529 1.504 487 HD22 ASN 59 HD22 ASN 59 191.693 5.166 1.820 488 H ASP 60 HN ASP 60 196.922 5.432 -0.283 489 HA ASP 60 HA ASP 60 198.055 3.112 0.766 490 HB2 ASP 60 HB2 ASP 60 196.783 1.371 -0.469 491 HB3 ASP 60 HB1 ASP 60 195.823 2.160 0.778 492 H PHE 61 HN PHE 61 199.689 4.391 -0.371 493 HA PHE 61 HA PHE 61 199.956 3.474 -3.132 494 HB2 PHE 61 HB2 PHE 61 199.591 6.259 -2.298 495 HB3 PHE 61 HB1 PHE 61 201.023 6.011 -3.292 496 HD1 PHE 61 HD1 PHE 61 197.411 5.088 -3.210 497 HD2 PHE 61 HD2 PHE 61 200.797 6.117 -5.573 498 HE1 PHE 61 HE1 PHE 61 196.003 5.068 -5.227 499 HE2 PHE 61 HE2 PHE 61 199.395 6.103 -7.594 500 HZ PHE 61 HZ PHE 61 196.995 5.577 -7.423 501 H ALA 62 HN ALA 62 201.900 2.606 -3.454 502 HA ALA 62 HA ALA 62 204.022 3.205 -1.509 503 HB1 ALA 62 HB1 ALA 62 204.585 1.041 -1.544 504 HB2 ALA 62 HB2 ALA 62 204.458 0.938 -3.300 505 HB3 ALA 62 HB3 ALA 62 203.012 0.792 -2.301 506 H ILE 63 HN ILE 63 206.165 3.535 -2.199 507 HA ILE 63 HA ILE 63 206.378 4.980 -4.686 508 HB ILE 63 HB ILE 63 208.877 4.355 -3.245 509 HG12 ILE 63 HG12 ILE 63 207.876 6.505 -1.772 510 HG13 ILE 63 HG11 ILE 63 206.562 5.337 -1.785 511 HG21 ILE 63 HG21 ILE 63 208.870 5.903 -5.076 512 HG22 ILE 63 HG22 ILE 63 209.222 6.778 -3.589 513 HG23 ILE 63 HG23 ILE 63 207.616 6.874 -4.308 514 HD11 ILE 63 HD11 ILE 63 209.260 5.155 -0.572 515 HD12 ILE 63 HD12 ILE 63 208.509 3.671 -1.160 516 HD13 ILE 63 HD13 ILE 63 207.696 4.647 0.063 517 H ASP 64 HN ASP 64 207.841 4.488 -6.399 518 HA ASP 64 HA ASP 64 208.808 1.724 -6.431 519 HB2 ASP 64 HB2 ASP 64 207.960 1.306 -8.614 520 HB3 ASP 64 HB1 ASP 64 206.630 1.932 -7.646 521 H ALA 65 HN ALA 65 210.770 1.444 -7.131 522 HA ALA 65 HA ALA 65 212.257 3.766 -8.125 523 HB1 ALA 65 HB1 ALA 65 214.169 1.911 -7.855 524 HB2 ALA 65 HB2 ALA 65 212.978 1.273 -6.722 525 HB3 ALA 65 HB3 ALA 65 213.596 2.912 -6.521 526 H SER 66 HN SER 66 210.490 2.761 -9.987 527 HA SER 66 HA SER 66 211.761 0.914 -11.764 528 HB2 SER 66 HB2 SER 66 209.518 2.782 -12.512 529 HB3 SER 66 HB1 SER 66 209.873 1.182 -13.163 530 HG SER 66 HG SER 66 208.111 1.245 -11.633 531 H HIS 67 HN HIS 67 211.262 4.422 -11.784 532 HA HIS 67 HA HIS 67 212.965 4.666 -14.143 533 HB2 HIS 67 HB2 HIS 67 211.221 6.638 -12.672 534 HB3 HIS 67 HB1 HIS 67 212.282 7.094 -13.993 535 HD1 HIS 67 HD1 HIS 67 210.684 3.826 -14.448 536 HD2 HIS 67 HD2 HIS 67 209.828 7.790 -15.355 537 HE1 HIS 67 HE1 HIS 67 208.842 3.742 -16.158 538 HE2 HIS 67 HE2 HIS 67 208.410 6.148 -16.764 539 H GLU 68 HN GLU 68 214.474 6.659 -14.084 540 HA GLU 68 HA GLU 68 216.573 6.204 -12.383 541 HB2 GLU 68 HB2 GLU 68 215.877 8.926 -13.487 542 HB3 GLU 68 HB1 GLU 68 217.475 8.319 -13.076 543 HG2 GLU 68 HG2 GLU 68 217.094 6.558 -14.869 544 HG3 GLU 68 HG1 GLU 68 215.722 7.539 -15.379 545 H GLN 69 HN GLN 69 213.881 8.441 -11.940 546 HA GLN 69 HA GLN 69 214.826 9.007 -9.220 547 HB2 GLN 69 HB2 GLN 69 212.555 10.597 -9.887 548 HB3 GLN 69 HB1 GLN 69 214.208 11.117 -9.607 549 HG2 GLN 69 HG2 GLN 69 213.784 11.954 -11.703 550 HG3 GLN 69 HG1 GLN 69 214.589 10.431 -12.073 551 HE21 GLN 69 HE21 GLN 69 212.313 12.293 -13.204 552 HE22 GLN 69 HE22 GLN 69 211.159 11.140 -13.772 553 H ILE 70 HN ILE 70 213.478 8.639 -7.450 554 HA ILE 70 HA ILE 70 211.579 6.533 -7.820 555 HB ILE 70 HB ILE 70 211.742 7.978 -5.216 556 HG12 ILE 70 HG12 ILE 70 214.065 7.863 -5.872 557 HG13 ILE 70 HG11 ILE 70 213.759 6.642 -4.645 558 HG21 ILE 70 HG21 ILE 70 210.516 5.690 -6.065 559 HG22 ILE 70 HG22 ILE 70 210.918 6.063 -4.388 560 HG23 ILE 70 HG23 ILE 70 212.006 5.068 -5.355 561 HD11 ILE 70 HD11 ILE 70 214.508 6.340 -7.473 562 HD12 ILE 70 HD12 ILE 70 213.328 5.185 -6.852 563 HD13 ILE 70 HD13 ILE 70 214.904 5.342 -6.074 564 H GLU 71 HN GLU 71 209.445 6.528 -7.670 565 HA GLU 71 HA GLU 71 208.009 9.043 -7.205 566 HB2 GLU 71 HB2 GLU 71 206.555 8.593 -9.176 567 HB3 GLU 71 HB1 GLU 71 208.221 8.961 -9.602 568 HG2 GLU 71 HG2 GLU 71 208.158 6.196 -9.348 569 HG3 GLU 71 HG1 GLU 71 206.648 6.609 -10.158 570 H THR 72 HN THR 72 205.609 8.653 -7.028 571 HA THR 72 HA THR 72 205.183 6.147 -5.562 572 HB THR 72 HB THR 72 203.272 7.363 -4.505 573 HG1 THR 72 HG1 THR 72 203.011 9.506 -4.885 574 HG21 THR 72 HG21 THR 72 205.584 9.150 -4.061 575 HG22 THR 72 HG22 THR 72 205.805 7.431 -3.733 576 HG23 THR 72 HG23 THR 72 204.537 8.331 -2.903 577 H GLN 73 HN GLN 73 203.547 4.776 -6.051 578 HA GLN 73 HA GLN 73 201.393 5.460 -7.795 579 HB2 GLN 73 HB2 GLN 73 202.575 3.261 -9.171 580 HB3 GLN 73 HB1 GLN 73 202.207 4.863 -9.789 581 HG2 GLN 73 HG2 GLN 73 204.390 5.659 -9.135 582 HG3 GLN 73 HG1 GLN 73 204.760 4.107 -8.384 583 HE21 GLN 73 HE21 GLN 73 204.596 5.902 -11.303 584 HE22 GLN 73 HE22 GLN 73 205.219 4.679 -12.352 585 HA PRO 74 HA PRO 74 199.410 1.985 -5.961 586 HB2 PRO 74 HB2 PRO 74 198.805 0.767 -8.589 587 HB3 PRO 74 HB1 PRO 74 197.702 1.315 -7.322 588 HG2 PRO 74 HG2 PRO 74 197.984 2.686 -9.601 589 HG3 PRO 74 HG1 PRO 74 197.746 3.511 -8.049 590 HD2 PRO 74 HD2 PRO 74 200.262 3.121 -9.624 591 HD3 PRO 74 HD1 PRO 74 199.707 4.544 -8.719 592 H PHE 75 HN PHE 75 200.048 0.082 -5.109 593 HA PHE 75 HA PHE 75 202.489 -1.086 -5.720 594 HB2 PHE 75 HB2 PHE 75 201.362 -1.390 -3.571 595 HB3 PHE 75 HB1 PHE 75 200.093 -2.329 -4.350 596 HD1 PHE 75 HD2 PHE 75 200.829 -4.485 -5.561 597 HD2 PHE 75 HD1 PHE 75 203.212 -2.452 -2.681 598 HE1 PHE 75 HE2 PHE 75 202.119 -6.545 -5.179 599 HE2 PHE 75 HE1 PHE 75 204.504 -4.508 -2.294 600 HZ PHE 75 HZ PHE 75 203.959 -6.559 -3.543 601 H ASP 76 HN ASP 76 203.166 -2.471 -7.232 602 HA ASP 76 HA ASP 76 201.131 -3.901 -8.813 603 HB2 ASP 76 HB2 ASP 76 202.475 -2.067 -9.977 604 HB3 ASP 76 HB1 ASP 76 203.867 -3.133 -9.818 605 HA PRO 77 HA PRO 77 203.101 -7.555 -7.203 606 HB2 PRO 77 HB2 PRO 77 201.897 -9.372 -8.826 607 HB3 PRO 77 HB1 PRO 77 201.083 -8.615 -7.452 608 HG2 PRO 77 HG2 PRO 77 200.937 -7.916 -10.360 609 HG3 PRO 77 HG1 PRO 77 199.627 -8.028 -9.170 610 HD2 PRO 77 HD2 PRO 77 200.691 -5.663 -9.920 611 HD3 PRO 77 HD1 PRO 77 200.095 -5.952 -8.272 612 H ASN 78 HN ASN 78 202.992 -6.951 -10.697 613 HA ASN 78 HA ASN 78 205.202 -8.757 -11.171 614 HB2 ASN 78 HB2 ASN 78 203.379 -7.123 -12.885 615 HB3 ASN 78 HB1 ASN 78 204.912 -7.671 -13.553 616 HD21 ASN 78 HD21 ASN 78 202.068 -8.378 -14.118 617 HD22 ASN 78 HD22 ASN 78 202.013 -10.101 -14.012 618 H ASN 79 HN ASN 79 205.027 -5.683 -9.990 619 HA ASN 79 HA ASN 79 207.578 -4.932 -11.253 620 HB2 ASN 79 HB2 ASN 79 205.211 -3.464 -11.140 621 HB3 ASN 79 HB1 ASN 79 206.238 -2.737 -9.908 622 HD21 ASN 79 HD21 ASN 79 205.328 -1.675 -12.469 623 HD22 ASN 79 HD22 ASN 79 206.757 -1.269 -13.351 624 HA PRO 80 HA PRO 80 208.805 -5.761 -6.949 625 HB2 PRO 80 HB2 PRO 80 211.499 -5.938 -8.054 626 HB3 PRO 80 HB1 PRO 80 210.539 -7.180 -7.249 627 HG2 PRO 80 HG2 PRO 80 211.116 -7.263 -9.893 628 HG3 PRO 80 HG1 PRO 80 209.622 -7.933 -9.215 629 HD2 PRO 80 HD2 PRO 80 210.064 -5.324 -10.621 630 HD3 PRO 80 HD1 PRO 80 208.720 -6.477 -10.779 631 H LYS 81 HN LYS 81 208.577 -3.015 -8.151 632 HA LYS 81 HA LYS 81 210.855 -1.776 -6.790 633 HB2 LYS 81 HB2 LYS 81 209.264 -0.925 -9.200 634 HB3 LYS 81 HB1 LYS 81 210.308 0.176 -8.325 635 HG2 LYS 81 HG2 LYS 81 211.793 -0.503 -9.880 636 HG3 LYS 81 HG1 LYS 81 212.045 -1.801 -8.712 637 HD2 LYS 81 HD2 LYS 81 210.984 -3.352 -9.997 638 HD3 LYS 81 HD1 LYS 81 209.895 -2.166 -10.720 639 HE2 LYS 81 HE2 LYS 81 212.131 -1.281 -11.800 640 HE3 LYS 81 HE1 LYS 81 212.666 -2.933 -11.498 641 HZ1 LYS 81 HZ1 LYS 81 211.743 -3.279 -13.503 642 HZ2 LYS 81 HZ2 LYS 81 210.721 -1.935 -13.407 643 HZ3 LYS 81 HZ3 LYS 81 210.298 -3.375 -12.627 644 H ARG 82 HN ARG 82 207.407 -2.009 -7.071 645 HA ARG 82 HA ARG 82 206.854 0.387 -5.564 646 HB2 ARG 82 HB2 ARG 82 205.031 -1.822 -6.489 647 HB3 ARG 82 HB1 ARG 82 204.503 -0.325 -5.735 648 HG2 ARG 82 HG2 ARG 82 204.672 0.822 -7.636 649 HG3 ARG 82 HG1 ARG 82 206.238 0.106 -8.029 650 HD2 ARG 82 HD2 ARG 82 204.959 -1.988 -8.642 651 HD3 ARG 82 HD1 ARG 82 203.501 -1.004 -8.556 652 HE ARG 82 HE ARG 82 205.557 -0.914 -10.595 653 HH11 ARG 82 HH11 ARG 82 202.801 0.684 -9.162 654 HH12 ARG 82 HH12 ARG 82 202.458 1.625 -10.574 655 HH21 ARG 82 HH21 ARG 82 205.105 0.326 -12.449 656 HH22 ARG 82 HH22 ARG 82 203.765 1.422 -12.439 657 H ALA 83 HN ALA 83 208.323 -2.059 -4.364 658 HA ALA 83 HA ALA 83 206.623 -2.199 -1.961 659 HB1 ALA 83 HB1 ALA 83 207.467 -4.361 -3.620 660 HB2 ALA 83 HB2 ALA 83 206.449 -4.394 -2.181 661 HB3 ALA 83 HB3 ALA 83 208.199 -4.529 -2.025 662 H TRP 84 HN TRP 84 207.688 -0.760 -0.719 663 HA TRP 84 HA TRP 84 210.574 -1.175 -0.340 664 HB2 TRP 84 HB2 TRP 84 208.869 1.266 0.166 665 HB3 TRP 84 HB1 TRP 84 210.593 1.152 0.520 666 HD1 TRP 84 HD1 TRP 84 208.222 0.933 -2.538 667 HE1 TRP 84 HE1 TRP 84 209.523 1.738 -4.607 668 HE3 TRP 84 HE3 TRP 84 212.791 1.646 -0.382 669 HZ2 TRP 84 HZ2 TRP 84 212.137 2.583 -5.230 670 HZ3 TRP 84 HZ3 TRP 84 214.640 2.451 -1.779 671 HH2 TRP 84 HH2 TRP 84 214.321 2.912 -4.158 672 H ILE 85 HN ILE 85 211.408 -1.641 1.576 673 HA ILE 85 HA ILE 85 209.557 -1.871 3.865 674 HB ILE 85 HB ILE 85 211.171 -3.605 4.725 675 HG12 ILE 85 HG12 ILE 85 212.147 -4.150 1.997 676 HG13 ILE 85 HG11 ILE 85 212.819 -2.705 2.744 677 HG21 ILE 85 HG21 ILE 85 209.338 -4.696 3.995 678 HG22 ILE 85 HG22 ILE 85 210.425 -5.241 2.718 679 HG23 ILE 85 HG23 ILE 85 209.342 -3.878 2.432 680 HD11 ILE 85 HD11 ILE 85 214.256 -4.576 3.167 681 HD12 ILE 85 HD12 ILE 85 212.914 -5.504 3.836 682 HD13 ILE 85 HD13 ILE 85 213.502 -4.071 4.679 683 H VAL 86 HN VAL 86 210.473 -1.432 5.996 684 HA VAL 86 HA VAL 86 212.601 0.579 5.827 685 HB VAL 86 HB VAL 86 210.733 0.112 8.146 686 HG11 VAL 86 HG11 VAL 86 212.064 2.699 7.506 687 HG12 VAL 86 HG12 VAL 86 213.000 1.417 8.274 688 HG13 VAL 86 HG13 VAL 86 211.554 2.048 9.064 689 HG21 VAL 86 HG21 VAL 86 209.088 1.232 7.141 690 HG22 VAL 86 HG22 VAL 86 209.975 1.015 5.633 691 HG23 VAL 86 HG23 VAL 86 210.191 2.488 6.578 692 H SER 87 HN SER 87 214.511 0.261 6.749 693 HA SER 87 HA SER 87 214.813 -1.992 8.622 694 HB2 SER 87 HB2 SER 87 215.840 -2.633 6.531 695 HB3 SER 87 HB1 SER 87 216.700 -1.097 6.431 696 HG SER 87 HG SER 87 217.060 -2.904 8.578 697 H GLY 88 HN GLY 88 214.769 -0.786 10.495 698 HA2 GLY 88 HA2 GLY 88 215.727 0.429 12.196 699 HA3 GLY 88 HA1 GLY 88 217.180 0.546 11.215 700 H ASN 89 HN ASN 89 217.609 2.381 10.125 701 HA ASN 89 HA ASN 89 215.616 4.541 10.317 702 HB2 ASN 89 HB2 ASN 89 217.444 6.101 10.648 703 HB3 ASN 89 HB1 ASN 89 217.562 4.817 11.845 704 HD21 ASN 89 HD21 ASN 89 218.756 5.732 8.627 705 HD22 ASN 89 HD22 ASN 89 220.324 5.038 8.823 706 H THR 90 HN THR 90 216.079 2.646 8.099 707 HA THR 90 HA THR 90 216.533 4.650 6.038 708 HB THR 90 HB THR 90 217.898 2.639 4.912 709 HG1 THR 90 HG1 THR 90 219.272 1.767 6.527 710 HG21 THR 90 HG21 THR 90 219.966 3.754 6.192 711 HG22 THR 90 HG22 THR 90 218.732 4.982 6.475 712 HG23 THR 90 HG23 THR 90 219.142 4.506 4.827 713 H ILE 91 HN ILE 91 215.596 4.246 4.090 714 HA ILE 91 HA ILE 91 213.539 2.159 4.072 715 HB ILE 91 HB ILE 91 213.919 4.303 1.980 716 HG12 ILE 91 HG12 ILE 91 213.756 5.451 4.118 717 HG13 ILE 91 HG11 ILE 91 212.244 5.641 3.235 718 HG21 ILE 91 HG21 ILE 91 212.374 2.853 1.124 719 HG22 ILE 91 HG22 ILE 91 211.307 3.914 2.045 720 HG23 ILE 91 HG23 ILE 91 211.793 2.355 2.713 721 HD11 ILE 91 HD11 ILE 91 211.397 3.669 4.604 722 HD12 ILE 91 HD12 ILE 91 211.611 5.209 5.437 723 HD13 ILE 91 HD13 ILE 91 212.811 3.930 5.625 724 H ALA 92 HN ALA 92 213.951 0.293 3.056 725 HA ALA 92 HA ALA 92 215.928 0.342 0.865 726 HB1 ALA 92 HB1 ALA 92 216.332 -0.886 3.229 727 HB2 ALA 92 HB2 ALA 92 217.047 -1.423 1.708 728 HB3 ALA 92 HB3 ALA 92 215.587 -2.200 2.319 729 H GLN 93 HN GLN 93 215.580 -0.902 -0.929 730 HA GLN 93 HA GLN 93 212.924 -1.418 -1.717 731 HB2 GLN 93 HB2 GLN 93 215.169 -0.990 -3.053 732 HB3 GLN 93 HB1 GLN 93 215.228 -2.744 -3.073 733 HG2 GLN 93 HG2 GLN 93 214.021 -2.580 -4.929 734 HG3 GLN 93 HG1 GLN 93 212.664 -2.270 -3.847 735 HE21 GLN 93 HE21 GLN 93 215.395 -0.173 -4.638 736 HE22 GLN 93 HE22 GLN 93 214.451 1.093 -5.333 737 H LEU 94 HN LEU 94 211.833 -3.355 -2.093 738 HA LEU 94 HA LEU 94 212.221 -5.399 -0.205 739 HB2 LEU 94 HB2 LEU 94 210.371 -6.505 -1.162 740 HB3 LEU 94 HB1 LEU 94 210.048 -4.793 -1.312 741 HG LEU 94 HG LEU 94 211.125 -6.457 -3.585 742 HD11 LEU 94 HD11 LEU 94 208.447 -6.358 -2.481 743 HD12 LEU 94 HD12 LEU 94 209.148 -7.451 -3.673 744 HD13 LEU 94 HD13 LEU 94 208.508 -5.889 -4.181 745 HD21 LEU 94 HD21 LEU 94 211.461 -4.028 -3.775 746 HD22 LEU 94 HD22 LEU 94 209.730 -3.783 -3.545 747 HD23 LEU 94 HD23 LEU 94 210.316 -4.633 -4.965 748 H SER 95 HN SER 95 212.676 -5.559 -3.761 749 HA SER 95 HA SER 95 213.913 -8.119 -3.615 750 HB2 SER 95 HB2 SER 95 214.405 -7.720 -6.042 751 HB3 SER 95 HB1 SER 95 212.705 -7.537 -5.608 752 HG SER 95 HG SER 95 212.862 -5.383 -5.834 753 H ASP 96 HN ASP 96 215.120 -5.131 -2.801 754 HA ASP 96 HA ASP 96 217.851 -6.118 -3.112 755 HB2 ASP 96 HB2 ASP 96 216.748 -3.558 -4.195 756 HB3 ASP 96 HB1 ASP 96 218.408 -3.589 -3.606 757 H ARG 97 HN ARG 97 217.868 -6.543 -0.888 758 HA ARG 97 HA ARG 97 217.180 -4.570 1.049 759 HB2 ARG 97 HB2 ARG 97 218.424 -7.269 1.074 760 HB3 ARG 97 HB1 ARG 97 218.757 -6.230 2.453 761 HG2 ARG 97 HG2 ARG 97 215.933 -6.397 1.644 762 HG3 ARG 97 HG1 ARG 97 216.641 -7.883 2.282 763 HD2 ARG 97 HD2 ARG 97 217.117 -5.331 3.740 764 HD3 ARG 97 HD1 ARG 97 215.532 -6.092 3.871 765 HE ARG 97 HE ARG 97 217.892 -6.906 5.181 766 HH11 ARG 97 HH11 ARG 97 215.110 -8.229 3.541 767 HH12 ARG 97 HH12 ARG 97 215.137 -9.715 4.429 768 HH21 ARG 97 HH21 ARG 97 217.929 -8.860 6.351 769 HH22 ARG 97 HH22 ARG 97 216.737 -10.074 6.025 770 H ASP 98 HN ASP 98 219.867 -5.057 -0.971 771 HA ASP 98 HA ASP 98 221.734 -3.663 0.776 772 HB2 ASP 98 HB2 ASP 98 222.050 -4.849 -1.987 773 HB3 ASP 98 HB1 ASP 98 223.340 -4.028 -1.113 774 H ILE 99 HN ILE 99 219.253 -2.543 -0.796 775 HA ILE 99 HA ILE 99 220.642 -0.126 -1.683 776 HB ILE 99 HB ILE 99 219.681 -1.670 -3.561 777 HG12 ILE 99 HG12 ILE 99 218.734 0.630 -4.596 778 HG13 ILE 99 HG11 ILE 99 219.630 1.261 -3.217 779 HG21 ILE 99 HG21 ILE 99 217.392 -1.573 -2.218 780 HG22 ILE 99 HG22 ILE 99 217.446 -1.709 -3.974 781 HG23 ILE 99 HG23 ILE 99 217.165 -0.141 -3.219 782 HD11 ILE 99 HD11 ILE 99 221.656 0.277 -4.007 783 HD12 ILE 99 HD12 ILE 99 220.922 1.176 -5.335 784 HD13 ILE 99 HD13 ILE 99 220.797 -0.583 -5.285 785 H VAL 100 HN VAL 100 219.742 1.763 -0.978 786 HA VAL 100 HA VAL 100 217.065 1.734 0.168 787 HB VAL 100 HB VAL 100 217.817 2.814 2.261 788 HG11 VAL 100 HG11 VAL 100 218.342 0.014 1.573 789 HG12 VAL 100 HG12 VAL 100 217.375 0.708 2.869 790 HG13 VAL 100 HG13 VAL 100 219.123 0.586 3.042 791 HG21 VAL 100 HG21 VAL 100 219.930 3.703 1.659 792 HG22 VAL 100 HG22 VAL 100 220.543 2.113 1.206 793 HG23 VAL 100 HG23 VAL 100 220.228 2.486 2.900 794 H LEU 101 HN LEU 101 216.034 3.664 0.032 795 HA LEU 101 HA LEU 101 216.807 5.603 -1.721 796 HB2 LEU 101 HB2 LEU 101 215.158 6.123 0.737 797 HB3 LEU 101 HB1 LEU 101 215.167 7.075 -0.723 798 HG LEU 101 HG LEU 101 214.400 4.204 -0.855 799 HD11 LEU 101 HD11 LEU 101 212.328 4.486 -0.005 800 HD12 LEU 101 HD12 LEU 101 212.223 6.163 -0.540 801 HD13 LEU 101 HD13 LEU 101 213.122 5.759 0.922 802 HD21 LEU 101 HD21 LEU 101 214.748 5.398 -2.936 803 HD22 LEU 101 HD22 LEU 101 213.616 6.650 -2.426 804 HD23 LEU 101 HD23 LEU 101 213.040 5.012 -2.730 805 H ASP 102 HN ASP 102 217.500 7.695 -1.578 806 HA ASP 102 HA ASP 102 218.912 8.592 0.777 807 HB2 ASP 102 HB2 ASP 102 220.464 7.012 -0.247 808 HB3 ASP 102 HB1 ASP 102 220.318 7.847 -1.785 809 H ILE 103 HN ILE 103 220.015 10.721 0.313 810 HA ILE 103 HA ILE 103 218.231 12.346 -1.318 811 HB ILE 103 HB ILE 103 220.498 13.269 0.449 812 HG12 ILE 103 HG12 ILE 103 218.269 13.931 1.818 813 HG13 ILE 103 HG11 ILE 103 217.713 12.447 1.051 814 HG21 ILE 103 HG21 ILE 103 218.170 14.990 -0.093 815 HG22 ILE 103 HG22 ILE 103 219.234 14.683 -1.465 816 HG23 ILE 103 HG23 ILE 103 219.883 15.394 0.012 817 HD11 ILE 103 HD11 ILE 103 219.097 12.625 3.405 818 HD12 ILE 103 HD12 ILE 103 220.350 12.188 2.245 819 HD13 ILE 103 HD13 ILE 103 218.917 11.174 2.419 820 H ILE 104 HN ILE 104 218.725 12.882 -3.371 821 HA ILE 104 HA ILE 104 221.248 12.232 -4.502 822 HB ILE 104 HB ILE 104 219.079 13.994 -5.653 823 HG12 ILE 104 HG12 ILE 104 218.174 11.815 -5.096 824 HG13 ILE 104 HG11 ILE 104 218.366 11.933 -6.841 825 HG21 ILE 104 HG21 ILE 104 221.572 12.792 -6.762 826 HG22 ILE 104 HG22 ILE 104 220.876 14.390 -7.028 827 HG23 ILE 104 HG23 ILE 104 220.166 12.978 -7.810 828 HD11 ILE 104 HD11 ILE 104 220.625 10.757 -6.435 829 HD12 ILE 104 HD12 ILE 104 219.138 9.811 -6.367 830 HD13 ILE 104 HD13 ILE 104 219.928 10.320 -4.875 831 H LYS 105 HN LYS 105 222.928 13.529 -5.148 832 HA LYS 105 HA LYS 105 224.258 15.377 -5.353 833 HB2 LYS 105 HB2 LYS 105 221.737 16.528 -5.370 834 HB3 LYS 105 HB1 LYS 105 222.563 17.369 -4.066 835 HG2 LYS 105 HG2 LYS 105 224.258 18.149 -5.510 836 HG3 LYS 105 HG1 LYS 105 223.759 17.056 -6.802 837 HD2 LYS 105 HD2 LYS 105 221.465 18.452 -6.363 838 HD3 LYS 105 HD1 LYS 105 222.688 19.678 -6.023 839 HE2 LYS 105 HE2 LYS 105 223.536 19.615 -8.175 840 HE3 LYS 105 HE1 LYS 105 222.910 17.996 -8.483 841 HZ1 LYS 105 HZ1 LYS 105 221.735 19.877 -9.636 842 HZ2 LYS 105 HZ2 LYS 105 221.143 20.346 -8.123 843 HZ3 LYS 105 HZ3 LYS 105 220.741 18.829 -8.754 844 H SER 106 HN SER 106 222.918 14.198 -2.497 845 HA SER 106 HA SER 106 223.486 14.320 -0.289 846 HB2 SER 106 HB2 SER 106 226.316 14.919 -0.921 847 HB3 SER 106 HB1 SER 106 225.624 13.612 0.041 848 HG SER 106 HG SER 106 226.024 12.439 -1.651 849 H ASP 107 HN ASP 107 222.751 16.867 -1.548 850 HA ASP 107 HA ASP 107 224.365 18.753 0.024 851 HB2 ASP 107 HB2 ASP 107 223.382 20.510 -1.392 852 HB3 ASP 107 HB1 ASP 107 224.199 19.285 -2.357 853 H LYS 108 HN LYS 108 223.167 20.569 1.032 854 HA LYS 108 HA LYS 108 220.990 19.529 2.610 855 HB2 LYS 108 HB2 LYS 108 222.978 21.530 2.915 856 HB3 LYS 108 HB1 LYS 108 221.417 22.324 3.062 857 HG2 LYS 108 HG2 LYS 108 221.956 21.713 5.239 858 HG3 LYS 108 HG1 LYS 108 220.829 20.462 4.712 859 HD2 LYS 108 HD2 LYS 108 222.520 18.872 4.470 860 HD3 LYS 108 HD1 LYS 108 223.790 20.097 4.413 861 HE2 LYS 108 HE2 LYS 108 222.139 19.351 6.825 862 HE3 LYS 108 HE1 LYS 108 223.821 18.908 6.540 863 HZ1 LYS 108 HZ1 LYS 108 223.975 21.544 6.297 864 HZ2 LYS 108 HZ2 LYS 108 224.181 20.742 7.772 865 HZ3 LYS 108 HZ3 LYS 108 222.690 21.446 7.394 866 H GLU 109 HN GLU 109 221.262 21.265 -0.288 867 HA GLU 109 HA GLU 109 219.193 23.070 -0.298 868 HB2 GLU 109 HB2 GLU 109 220.449 21.353 -2.373 869 HB3 GLU 109 HB1 GLU 109 218.924 22.124 -2.786 870 HG2 GLU 109 HG2 GLU 109 219.829 24.292 -2.433 871 HG3 GLU 109 HG1 GLU 109 221.298 23.626 -1.721 872 H ALA 110 HN ALA 110 217.100 22.921 0.122 873 HA ALA 110 HA ALA 110 215.797 20.418 0.496 874 HB1 ALA 110 HB1 ALA 110 214.234 22.936 0.222 875 HB2 ALA 110 HB2 ALA 110 215.361 22.781 1.569 876 HB3 ALA 110 HB3 ALA 110 214.054 21.613 1.375 877 H GLY 111 HN GLY 111 213.747 19.810 -0.573 878 HA2 GLY 111 HA2 GLY 111 212.445 19.397 -2.423 879 HA3 GLY 111 HA1 GLY 111 213.098 20.860 -3.147 880 H ALA 112 HN ALA 112 215.392 18.558 -2.042 881 HA ALA 112 HA ALA 112 216.263 18.094 -4.754 882 HB1 ALA 112 HB1 ALA 112 217.559 16.626 -2.549 883 HB2 ALA 112 HB2 ALA 112 217.618 18.386 -2.449 884 HB3 ALA 112 HB3 ALA 112 218.268 17.561 -3.866 885 H HIS 113 HN HIS 113 216.096 16.263 -5.909 886 HA HIS 113 HA HIS 113 214.101 14.387 -5.298 887 HB2 HIS 113 HB2 HIS 113 216.219 14.613 -7.389 888 HB3 HIS 113 HB1 HIS 113 215.389 13.071 -7.202 889 HD1 HIS 113 HD1 HIS 113 213.941 13.071 -9.245 890 HD2 HIS 113 HD2 HIS 113 213.617 16.594 -7.065 891 HE1 HIS 113 HE1 HIS 113 212.056 14.350 -10.310 892 HE2 HIS 113 HE2 HIS 113 211.817 16.435 -8.916 893 H ILE 114 HN ILE 114 214.506 11.978 -5.303 894 HA ILE 114 HA ILE 114 216.912 11.235 -3.823 895 HB ILE 114 HB ILE 114 215.269 9.713 -2.477 896 HG12 ILE 114 HG12 ILE 114 213.512 11.991 -3.376 897 HG13 ILE 114 HG11 ILE 114 213.202 10.263 -3.520 898 HG21 ILE 114 HG21 ILE 114 216.161 10.958 -0.867 899 HG22 ILE 114 HG22 ILE 114 214.964 12.213 -1.182 900 HG23 ILE 114 HG23 ILE 114 216.506 12.234 -2.033 901 HD11 ILE 114 HD11 ILE 114 212.583 12.073 -1.373 902 HD12 ILE 114 HD12 ILE 114 213.527 10.698 -0.800 903 HD13 ILE 114 HD13 ILE 114 212.013 10.430 -1.663 904 H CYS 115 HN CYS 115 217.247 8.854 -3.754 905 HA CYS 115 HA CYS 115 215.763 7.248 -5.617 906 HB2 CYS 115 HB2 CYS 115 217.572 8.613 -6.893 907 HB3 CYS 115 HB1 CYS 115 218.710 7.519 -6.115 908 HG CYS 115 HG CYS 115 216.528 6.544 -8.110 909 H ALA 116 HN ALA 116 216.824 4.957 -5.671 910 HA ALA 116 HA ALA 116 217.618 4.354 -2.922 911 HB1 ALA 116 HB1 ALA 116 217.378 1.934 -4.150 912 HB2 ALA 116 HB2 ALA 116 216.199 2.901 -5.035 913 HB3 ALA 116 HB3 ALA 116 216.083 2.755 -3.281 914 H TRP 117 HN TRP 117 219.663 3.912 -2.437 915 HA TRP 117 HA TRP 117 221.436 3.036 -4.609 916 HB2 TRP 117 HB2 TRP 117 221.827 5.408 -4.316 917 HB3 TRP 117 HB1 TRP 117 222.090 5.184 -2.593 918 HD1 TRP 117 HD1 TRP 117 224.533 4.863 -1.869 919 HE1 TRP 117 HE1 TRP 117 226.752 4.369 -3.077 920 HE3 TRP 117 HE3 TRP 117 222.725 4.023 -6.577 921 HZ2 TRP 117 HZ2 TRP 117 227.620 3.710 -5.681 922 HZ3 TRP 117 HZ3 TRP 117 224.316 3.466 -8.370 923 HH2 TRP 117 HH2 TRP 117 226.713 3.314 -7.929 924 H LYS 118 HN LYS 118 223.450 2.138 -3.905 925 HA LYS 118 HA LYS 118 223.109 0.061 -2.048 926 HB2 LYS 118 HB2 LYS 118 224.869 0.521 -4.040 927 HB3 LYS 118 HB1 LYS 118 225.883 0.907 -2.656 928 HG2 LYS 118 HG2 LYS 118 226.217 -1.385 -3.221 929 HG3 LYS 118 HG1 LYS 118 225.326 -1.317 -1.700 930 HD2 LYS 118 HD2 LYS 118 223.956 -2.796 -2.695 931 HD3 LYS 118 HD1 LYS 118 223.294 -1.374 -3.505 932 HE2 LYS 118 HE2 LYS 118 225.442 -3.208 -4.564 933 HE3 LYS 118 HE1 LYS 118 223.772 -3.121 -5.121 934 HZ1 LYS 118 HZ1 LYS 118 225.944 -1.159 -5.488 935 HZ2 LYS 118 HZ2 LYS 118 224.325 -0.679 -5.592 936 HZ3 LYS 118 HZ3 LYS 118 224.929 -1.851 -6.652 937 H GLN 119 HN GLN 119 223.131 0.114 0.103 938 HA GLN 119 HA GLN 119 223.719 2.394 1.607 939 HB2 GLN 119 HB2 GLN 119 222.274 0.573 2.404 940 HB3 GLN 119 HB1 GLN 119 223.671 -0.490 2.512 941 HG2 GLN 119 HG2 GLN 119 223.784 0.148 4.637 942 HG3 GLN 119 HG1 GLN 119 224.451 1.658 4.016 943 HE21 GLN 119 HE21 GLN 119 223.492 3.431 4.683 944 HE22 GLN 119 HE22 GLN 119 221.863 3.563 5.243 945 H HIS 120 HN HIS 120 225.553 3.260 2.307 946 HA HIS 120 HA HIS 120 227.935 1.562 2.539 947 HB2 HIS 120 HB2 HIS 120 229.250 3.571 1.631 948 HB3 HIS 120 HB1 HIS 120 228.351 2.600 0.470 949 HD1 HIS 120 HD1 HIS 120 228.053 5.875 2.354 950 HD2 HIS 120 HD2 HIS 120 226.562 4.001 -1.041 951 HE1 HIS 120 HE1 HIS 120 226.719 7.632 1.147 952 HE2 HIS 120 HE2 HIS 120 225.889 6.496 -0.943 953 H GLY 121 HN GLY 121 225.865 3.254 4.248 954 HA2 GLY 121 HA2 GLY 121 226.038 4.034 6.420 955 HA3 GLY 121 HA1 GLY 121 227.782 3.860 6.309 956 H GLY 122 HN GLY 122 226.596 5.628 3.696 957 HA2 GLY 122 HA2 GLY 122 227.934 7.985 4.445 958 HA3 GLY 122 HA1 GLY 122 226.783 7.841 3.125 959 HA PRO 123 HA PRO 123 225.098 10.180 7.008 960 HB2 PRO 123 HB2 PRO 123 225.522 12.749 6.171 961 HB3 PRO 123 HB1 PRO 123 226.629 11.868 7.230 962 HG2 PRO 123 HG2 PRO 123 226.785 12.313 4.274 963 HG3 PRO 123 HG1 PRO 123 228.075 12.393 5.488 964 HD2 PRO 123 HD2 PRO 123 227.752 10.248 3.894 965 HD3 PRO 123 HD1 PRO 123 228.311 10.093 5.572 966 H ASN 124 HN ASN 124 225.003 10.656 3.541 967 HA ASN 124 HA ASN 124 222.474 12.005 3.522 968 HB2 ASN 124 HB2 ASN 124 222.582 11.541 1.045 969 HB3 ASN 124 HB1 ASN 124 223.947 12.443 1.696 970 HD21 ASN 124 HD21 ASN 124 224.476 11.421 -0.605 971 HD22 ASN 124 HD22 ASN 124 225.423 9.979 -0.510 972 H GLN 125 HN GLN 125 223.229 8.881 4.262 973 HA GLN 125 HA GLN 125 220.756 7.813 3.083 974 HB2 GLN 125 HB2 GLN 125 222.705 5.985 4.379 975 HB3 GLN 125 HB1 GLN 125 221.709 5.736 2.954 976 HG2 GLN 125 HG2 GLN 125 223.467 7.685 2.140 977 HG3 GLN 125 HG1 GLN 125 224.454 6.664 3.183 978 HE21 GLN 125 HE21 GLN 125 222.333 6.660 0.381 979 HE22 GLN 125 HE22 GLN 125 222.998 5.244 -0.353 980 H LYS 126 HN LYS 126 221.416 9.378 5.725 981 HA LYS 126 HA LYS 126 220.217 7.455 7.595 982 HB2 LYS 126 HB2 LYS 126 221.380 10.127 8.345 983 HB3 LYS 126 HB1 LYS 126 221.110 8.728 9.373 984 HG2 LYS 126 HG2 LYS 126 222.981 8.397 7.102 985 HG3 LYS 126 HG1 LYS 126 223.509 9.396 8.457 986 HD2 LYS 126 HD2 LYS 126 222.252 6.857 9.226 987 HD3 LYS 126 HD1 LYS 126 223.761 6.686 8.327 988 HE2 LYS 126 HE2 LYS 126 224.825 8.259 9.931 989 HE3 LYS 126 HE1 LYS 126 223.329 8.255 10.866 990 HZ1 LYS 126 HZ1 LYS 126 224.450 5.646 10.255 991 HZ2 LYS 126 HZ2 LYS 126 223.742 6.214 11.682 992 HZ3 LYS 126 HZ3 LYS 126 225.351 6.596 11.327 993 H PHE 127 HN PHE 127 218.212 7.734 8.394 994 HA PHE 127 HA PHE 127 216.897 10.331 8.053 995 HB2 PHE 127 HB2 PHE 127 215.428 7.762 7.516 996 HB3 PHE 127 HB1 PHE 127 214.946 9.403 7.106 997 HD1 PHE 127 HD1 PHE 127 217.551 6.860 6.342 998 HD2 PHE 127 HD2 PHE 127 215.299 10.198 4.967 999 HE1 PHE 127 HE1 PHE 127 218.496 6.564 4.091 1000 HE2 PHE 127 HE2 PHE 127 216.240 9.909 2.713 1001 HZ PHE 127 HZ PHE 127 217.839 8.088 2.273 1002 H ILE 128 HN ILE 128 215.111 10.674 9.498 1003 HA ILE 128 HA ILE 128 215.248 8.953 11.882 1004 HB ILE 128 HB ILE 128 214.192 11.717 12.092 1005 HG12 ILE 128 HG12 ILE 128 217.154 11.093 12.023 1006 HG13 ILE 128 HG11 ILE 128 216.279 11.959 10.765 1007 HG21 ILE 128 HG21 ILE 128 215.330 11.554 14.300 1008 HG22 ILE 128 HG22 ILE 128 215.807 9.910 13.876 1009 HG23 ILE 128 HG23 ILE 128 214.099 10.320 14.031 1010 HD11 ILE 128 HD11 ILE 128 215.653 13.383 13.020 1011 HD12 ILE 128 HD12 ILE 128 216.902 13.799 11.847 1012 HD13 ILE 128 HD13 ILE 128 217.326 12.903 13.306 1013 H ILE 129 HN ILE 129 213.415 8.235 12.777 1014 HA ILE 129 HA ILE 129 210.917 8.796 11.330 1015 HB ILE 129 HB ILE 129 211.546 6.299 12.900 1016 HG12 ILE 129 HG12 ILE 129 213.095 6.368 11.059 1017 HG13 ILE 129 HG11 ILE 129 211.818 5.229 10.648 1018 HG21 ILE 129 HG21 ILE 129 209.634 5.383 11.681 1019 HG22 ILE 129 HG22 ILE 129 209.383 6.950 10.910 1020 HG23 ILE 129 HG23 ILE 129 209.186 6.783 12.655 1021 HD11 ILE 129 HD11 ILE 129 210.739 7.068 9.334 1022 HD12 ILE 129 HD12 ILE 129 212.288 6.500 8.710 1023 HD13 ILE 129 HD13 ILE 129 212.200 8.018 9.603 1024 H GLU 130 HN GLU 130 209.073 9.271 12.442 1025 HA GLU 130 HA GLU 130 209.142 9.220 15.369 1026 HB2 GLU 130 HB2 GLU 130 209.816 11.501 14.518 1027 HB3 GLU 130 HB1 GLU 130 208.209 11.639 13.819 1028 HG2 GLU 130 HG2 GLU 130 207.743 10.916 16.451 1029 HG3 GLU 130 HG1 GLU 130 209.090 12.051 16.541 1030 H SER 131 HN SER 131 207.628 7.606 15.477 1031 HA SER 131 HA SER 131 205.385 7.219 13.939 1032 HB2 SER 131 HB2 SER 131 206.110 6.503 16.743 1033 HB3 SER 131 HB1 SER 131 204.440 6.261 16.231 1034 HG SER 131 HG SER 131 205.065 4.758 14.826 1035 H GLU 132 HN GLU 132 203.811 8.583 13.463 1036 HA GLU 132 HA GLU 132 203.144 10.848 15.034 1037 HB2 GLU 132 HB2 GLU 132 202.852 10.654 12.547 1038 HB3 GLU 132 HB1 GLU 132 201.484 9.589 12.846 1039 HG2 GLU 132 HG2 GLU 132 200.497 11.650 12.490 1040 HG3 GLU 132 HG1 GLU 132 200.545 11.521 14.248 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 189.769 0.834 13.836 2 H2 MET 1 HT2 MET 1 189.491 -0.857 13.741 3 H3 MET 1 HT3 MET 1 189.896 0.029 12.328 4 HA MET 1 HA MET 1 191.577 -0.696 14.612 5 HB2 MET 1 HB2 MET 1 191.203 -2.093 12.473 6 HB3 MET 1 HB1 MET 1 192.146 -0.852 11.660 7 HG2 MET 1 HG2 MET 1 194.088 -1.514 12.596 8 HG3 MET 1 HG1 MET 1 193.324 -1.993 14.110 9 HE1 MET 1 HE1 MET 1 191.359 -5.094 12.797 10 HE2 MET 1 HE2 MET 1 191.302 -3.635 13.785 11 HE3 MET 1 HE3 MET 1 192.305 -4.998 14.282 12 H LYS 2 HN LYS 2 193.337 0.504 15.120 13 HA LYS 2 HA LYS 2 193.453 3.197 14.091 14 HB2 LYS 2 HB2 LYS 2 194.960 1.724 16.242 15 HB3 LYS 2 HB1 LYS 2 195.398 3.354 15.752 16 HG2 LYS 2 HG2 LYS 2 193.863 4.181 17.110 17 HG3 LYS 2 HG1 LYS 2 192.604 3.318 16.223 18 HD2 LYS 2 HD2 LYS 2 194.194 1.707 18.118 19 HD3 LYS 2 HD1 LYS 2 193.132 2.921 18.834 20 HE2 LYS 2 HE2 LYS 2 191.342 1.936 17.243 21 HE3 LYS 2 HE1 LYS 2 192.430 0.552 17.141 22 HZ1 LYS 2 HZ1 LYS 2 191.978 -0.070 19.243 23 HZ2 LYS 2 HZ2 LYS 2 190.547 0.795 18.993 24 HZ3 LYS 2 HZ3 LYS 2 191.836 1.515 19.818 25 HA PRO 3 HA PRO 3 196.472 2.202 10.954 26 HB2 PRO 3 HB2 PRO 3 197.195 4.764 10.354 27 HB3 PRO 3 HB1 PRO 3 195.711 4.008 9.764 28 HG2 PRO 3 HG2 PRO 3 196.100 5.867 12.079 29 HG3 PRO 3 HG1 PRO 3 194.819 5.861 10.851 30 HD2 PRO 3 HD2 PRO 3 194.435 4.854 13.320 31 HD3 PRO 3 HD1 PRO 3 193.663 4.147 11.886 32 H LYS 4 HN LYS 4 198.790 2.915 10.442 33 HA LYS 4 HA LYS 4 200.273 3.698 12.842 34 HB2 LYS 4 HB2 LYS 4 201.122 1.315 11.205 35 HB3 LYS 4 HB1 LYS 4 201.752 1.843 12.759 36 HG2 LYS 4 HG2 LYS 4 198.906 0.962 12.441 37 HG3 LYS 4 HG1 LYS 4 200.212 -0.191 12.717 38 HD2 LYS 4 HD2 LYS 4 200.697 1.696 14.636 39 HD3 LYS 4 HD1 LYS 4 198.934 1.687 14.565 40 HE2 LYS 4 HE2 LYS 4 198.893 -0.698 14.952 41 HE3 LYS 4 HE1 LYS 4 200.654 -0.768 14.892 42 HZ1 LYS 4 HZ1 LYS 4 199.372 -0.641 17.159 43 HZ2 LYS 4 HZ2 LYS 4 199.412 1.021 16.848 44 HZ3 LYS 4 HZ3 LYS 4 200.855 0.146 16.951 45 H PHE 5 HN PHE 5 200.426 5.663 11.515 46 HA PHE 5 HA PHE 5 202.260 5.438 9.246 47 HB2 PHE 5 HB2 PHE 5 201.706 8.028 9.182 48 HB3 PHE 5 HB1 PHE 5 200.604 6.836 8.505 49 HD1 PHE 5 HD2 PHE 5 201.226 9.048 11.381 50 HD2 PHE 5 HD1 PHE 5 198.447 6.492 9.420 51 HE1 PHE 5 HE2 PHE 5 199.429 9.895 12.832 52 HE2 PHE 5 HE1 PHE 5 196.645 7.335 10.865 53 HZ PHE 5 HZ PHE 5 197.134 9.038 12.576 54 H PHE 6 HN PHE 6 203.796 7.519 9.125 55 HA PHE 6 HA PHE 6 204.793 8.341 11.715 56 HB2 PHE 6 HB2 PHE 6 207.090 7.203 10.410 57 HB3 PHE 6 HB1 PHE 6 206.489 6.935 12.034 58 HD1 PHE 6 HD2 PHE 6 204.951 5.061 12.487 59 HD2 PHE 6 HD1 PHE 6 206.701 5.661 8.655 60 HE1 PHE 6 HE2 PHE 6 204.380 2.749 11.868 61 HE2 PHE 6 HE1 PHE 6 206.136 3.351 8.029 62 HZ PHE 6 HZ PHE 6 204.973 1.890 9.637 63 H TYR 7 HN TYR 7 207.021 9.457 11.407 64 HA TYR 7 HA TYR 7 206.835 11.058 8.954 65 HB2 TYR 7 HB2 TYR 7 206.846 11.861 11.678 66 HB3 TYR 7 HB1 TYR 7 208.369 12.393 10.974 67 HD1 TYR 7 HD2 TYR 7 208.352 13.930 9.020 68 HD2 TYR 7 HD1 TYR 7 204.785 12.906 11.101 69 HE1 TYR 7 HE2 TYR 7 207.214 15.861 8.008 70 HE2 TYR 7 HE1 TYR 7 203.638 14.834 10.094 71 HH TYR 7 HH TYR 7 204.237 17.022 9.103 72 H ILE 8 HN ILE 8 208.492 10.903 7.588 73 HA ILE 8 HA ILE 8 210.990 9.717 8.581 74 HB ILE 8 HB ILE 8 211.014 9.886 5.736 75 HG12 ILE 8 HG12 ILE 8 208.532 9.984 5.905 76 HG13 ILE 8 HG11 ILE 8 209.106 8.520 5.115 77 HG21 ILE 8 HG21 ILE 8 210.615 7.405 7.381 78 HG22 ILE 8 HG22 ILE 8 212.145 8.282 7.345 79 HG23 ILE 8 HG23 ILE 8 211.491 7.588 5.861 80 HD11 ILE 8 HD11 ILE 8 208.174 7.210 6.648 81 HD12 ILE 8 HD12 ILE 8 207.284 8.646 7.156 82 HD13 ILE 8 HD13 ILE 8 208.775 8.194 7.982 83 H LYS 9 HN LYS 9 212.439 11.207 9.099 84 HA LYS 9 HA LYS 9 212.616 13.644 7.479 85 HB2 LYS 9 HB2 LYS 9 212.197 14.078 9.795 86 HB3 LYS 9 HB1 LYS 9 213.494 12.999 10.288 87 HG2 LYS 9 HG2 LYS 9 214.961 14.648 10.218 88 HG3 LYS 9 HG1 LYS 9 214.530 15.018 8.547 89 HD2 LYS 9 HD2 LYS 9 213.214 16.731 9.137 90 HD3 LYS 9 HD1 LYS 9 212.561 15.876 10.535 91 HE2 LYS 9 HE2 LYS 9 214.481 16.428 11.853 92 HE3 LYS 9 HE1 LYS 9 215.319 17.088 10.449 93 HZ1 LYS 9 HZ1 LYS 9 214.534 19.011 11.284 94 HZ2 LYS 9 HZ2 LYS 9 213.248 18.281 12.104 95 HZ3 LYS 9 HZ3 LYS 9 213.129 18.583 10.444 96 H SER 10 HN SER 10 214.468 14.238 6.468 97 HA SER 10 HA SER 10 216.514 12.249 6.099 98 HB2 SER 10 HB2 SER 10 217.557 14.264 4.762 99 HB3 SER 10 HB1 SER 10 216.142 13.424 4.126 100 HG SER 10 HG SER 10 215.009 15.176 4.379 101 H GLU 11 HN GLU 11 217.954 11.957 7.660 102 HA GLU 11 HA GLU 11 218.606 13.833 9.643 103 HB2 GLU 11 HB2 GLU 11 218.845 11.463 10.055 104 HB3 GLU 11 HB1 GLU 11 220.042 11.323 8.777 105 HG2 GLU 11 HG2 GLU 11 221.711 12.051 10.081 106 HG3 GLU 11 HG1 GLU 11 220.705 13.269 10.865 107 H LEU 12 HN LEU 12 219.585 13.709 6.439 108 HA LEU 12 HA LEU 12 222.226 14.811 6.877 109 HB2 LEU 12 HB2 LEU 12 221.834 13.365 4.954 110 HB3 LEU 12 HB1 LEU 12 220.606 14.464 4.353 111 HG LEU 12 HG LEU 12 222.337 16.202 4.046 112 HD11 LEU 12 HD11 LEU 12 223.882 15.385 5.787 113 HD12 LEU 12 HD12 LEU 12 224.677 15.657 4.237 114 HD13 LEU 12 HD13 LEU 12 224.287 14.016 4.751 115 HD21 LEU 12 HD21 LEU 12 222.711 15.458 1.973 116 HD22 LEU 12 HD22 LEU 12 221.791 14.033 2.456 117 HD23 LEU 12 HD23 LEU 12 223.553 14.018 2.545 118 H ASN 13 HN ASN 13 219.350 15.994 5.122 119 HA ASN 13 HA ASN 13 220.259 18.721 5.321 120 HB2 ASN 13 HB2 ASN 13 217.580 17.841 4.288 121 HB3 ASN 13 HB1 ASN 13 218.543 19.222 3.792 122 HD21 ASN 13 HD21 ASN 13 217.369 16.616 2.570 123 HD22 ASN 13 HD22 ASN 13 218.657 16.057 1.565 124 H GLY 14 HN GLY 14 218.340 16.684 7.262 125 HA2 GLY 14 HA2 GLY 14 217.225 17.195 9.230 126 HA3 GLY 14 HA1 GLY 14 217.591 18.894 8.952 127 H LYS 15 HN LYS 15 216.318 17.734 6.150 128 HA LYS 15 HA LYS 15 213.728 18.936 6.667 129 HB2 LYS 15 HB2 LYS 15 214.752 17.797 4.068 130 HB3 LYS 15 HB1 LYS 15 213.490 18.989 4.291 131 HG2 LYS 15 HG2 LYS 15 216.442 19.365 4.698 132 HG3 LYS 15 HG1 LYS 15 215.428 20.092 3.451 133 HD2 LYS 15 HD2 LYS 15 214.392 20.674 6.079 134 HD3 LYS 15 HD1 LYS 15 216.083 21.160 5.953 135 HE2 LYS 15 HE2 LYS 15 215.439 22.288 3.771 136 HE3 LYS 15 HE1 LYS 15 213.762 22.031 4.251 137 HZ1 LYS 15 HZ1 LYS 15 215.806 23.619 5.703 138 HZ2 LYS 15 HZ2 LYS 15 214.270 23.268 6.317 139 HZ3 LYS 15 HZ3 LYS 15 214.427 24.208 4.919 140 H VAL 16 HN VAL 16 211.920 17.692 5.252 141 HA VAL 16 HA VAL 16 212.058 14.850 6.031 142 HB VAL 16 HB VAL 16 209.518 15.016 6.185 143 HG11 VAL 16 HG11 VAL 16 211.526 16.005 8.101 144 HG12 VAL 16 HG12 VAL 16 210.339 14.711 8.264 145 HG13 VAL 16 HG13 VAL 16 209.847 16.392 8.474 146 HG21 VAL 16 HG21 VAL 16 210.047 17.952 6.567 147 HG22 VAL 16 HG22 VAL 16 208.492 17.122 6.500 148 HG23 VAL 16 HG23 VAL 16 209.474 17.273 5.043 149 H LEU 17 HN LEU 17 211.322 13.361 4.559 150 HA LEU 17 HA LEU 17 211.277 14.203 1.826 151 HB2 LEU 17 HB2 LEU 17 210.492 11.707 1.534 152 HB3 LEU 17 HB1 LEU 17 212.155 12.098 1.924 153 HG LEU 17 HG LEU 17 210.474 11.706 4.282 154 HD11 LEU 17 HD11 LEU 17 210.849 9.098 3.757 155 HD12 LEU 17 HD12 LEU 17 210.506 9.692 2.132 156 HD13 LEU 17 HD13 LEU 17 209.342 9.953 3.430 157 HD21 LEU 17 HD21 LEU 17 212.535 9.959 4.449 158 HD22 LEU 17 HD22 LEU 17 212.632 11.656 4.918 159 HD23 LEU 17 HD23 LEU 17 213.197 11.148 3.327 160 H ASP 18 HN ASP 18 209.555 14.499 0.467 161 HA ASP 18 HA ASP 18 206.875 13.857 1.448 162 HB2 ASP 18 HB2 ASP 18 207.502 16.232 2.071 163 HB3 ASP 18 HB1 ASP 18 207.558 16.586 0.346 164 H ILE 19 HN ILE 19 205.291 13.678 -0.165 165 HA ILE 19 HA ILE 19 206.372 13.074 -2.801 166 HB ILE 19 HB ILE 19 203.526 12.713 -1.864 167 HG12 ILE 19 HG12 ILE 19 205.824 10.746 -1.734 168 HG13 ILE 19 HG11 ILE 19 205.062 11.524 -0.351 169 HG21 ILE 19 HG21 ILE 19 204.993 11.156 -3.971 170 HG22 ILE 19 HG22 ILE 19 204.141 12.656 -4.337 171 HG23 ILE 19 HG23 ILE 19 203.255 11.272 -3.695 172 HD11 ILE 19 HD11 ILE 19 203.211 10.203 -0.456 173 HD12 ILE 19 HD12 ILE 19 204.420 9.089 -1.094 174 HD13 ILE 19 HD13 ILE 19 203.350 9.953 -2.197 175 H GLU 20 HN GLU 20 205.956 14.219 -4.620 176 HA GLU 20 HA GLU 20 205.437 16.864 -4.672 177 HB2 GLU 20 HB2 GLU 20 205.160 14.700 -6.667 178 HB3 GLU 20 HB1 GLU 20 204.350 16.210 -7.058 179 HG2 GLU 20 HG2 GLU 20 207.041 16.655 -6.097 180 HG3 GLU 20 HG1 GLU 20 207.009 15.585 -7.497 181 H GLY 21 HN GLY 21 203.825 17.661 -3.398 182 HA2 GLY 21 HA2 GLY 21 201.697 18.135 -2.655 183 HA3 GLY 21 HA1 GLY 21 201.351 18.208 -4.374 184 H GLN 22 HN GLN 22 202.253 15.294 -2.603 185 HA GLN 22 HA GLN 22 201.230 13.233 -2.643 186 HB2 GLN 22 HB2 GLN 22 199.284 13.178 -1.202 187 HB3 GLN 22 HB1 GLN 22 200.455 14.330 -0.576 188 HG2 GLN 22 HG2 GLN 22 199.119 16.121 -0.975 189 HG3 GLN 22 HG1 GLN 22 198.338 15.371 -2.367 190 HE21 GLN 22 HE21 GLN 22 197.521 16.631 0.358 191 HE22 GLN 22 HE22 GLN 22 196.297 15.549 0.920 192 H ASN 23 HN ASN 23 201.031 14.135 -5.182 193 HA ASN 23 HA ASN 23 198.593 14.535 -6.362 194 HB2 ASN 23 HB2 ASN 23 200.898 14.421 -7.457 195 HB3 ASN 23 HB1 ASN 23 200.650 12.680 -7.552 196 HD21 ASN 23 HD21 ASN 23 198.575 15.509 -8.100 197 HD22 ASN 23 HD22 ASN 23 198.072 15.043 -9.686 198 HA PRO 24 HA PRO 24 196.398 10.856 -4.853 199 HB2 PRO 24 HB2 PRO 24 194.466 11.988 -6.829 200 HB3 PRO 24 HB1 PRO 24 194.183 11.410 -5.183 201 HG2 PRO 24 HG2 PRO 24 194.271 14.016 -5.701 202 HG3 PRO 24 HG1 PRO 24 194.989 13.361 -4.218 203 HD2 PRO 24 HD2 PRO 24 196.320 14.323 -6.706 204 HD3 PRO 24 HD1 PRO 24 196.865 14.427 -5.020 205 H ALA 25 HN ALA 25 197.107 11.821 -8.136 206 HA ALA 25 HA ALA 25 196.398 9.199 -9.189 207 HB1 ALA 25 HB1 ALA 25 196.979 11.853 -10.348 208 HB2 ALA 25 HB2 ALA 25 195.775 10.649 -10.810 209 HB3 ALA 25 HB3 ALA 25 197.454 10.454 -11.311 210 HA PRO 26 HA PRO 26 200.459 7.483 -8.919 211 HB2 PRO 26 HB2 PRO 26 200.019 6.257 -11.567 212 HB3 PRO 26 HB1 PRO 26 200.297 5.485 -10.004 213 HG2 PRO 26 HG2 PRO 26 197.890 5.442 -11.189 214 HG3 PRO 26 HG1 PRO 26 198.063 5.544 -9.428 215 HD2 PRO 26 HD2 PRO 26 197.413 7.697 -11.398 216 HD3 PRO 26 HD1 PRO 26 196.758 7.419 -9.770 217 H GLY 27 HN GLY 27 202.538 7.923 -9.607 218 HA2 GLY 27 HA2 GLY 27 204.055 8.458 -11.438 219 HA3 GLY 27 HA1 GLY 27 202.789 9.476 -12.105 220 H SER 28 HN SER 28 202.806 9.889 -8.789 221 HA SER 28 HA SER 28 203.902 12.517 -9.029 222 HB2 SER 28 HB2 SER 28 203.613 11.762 -6.284 223 HB3 SER 28 HB1 SER 28 202.607 12.855 -7.235 224 HG SER 28 HG SER 28 202.309 10.070 -6.856 225 H LYS 29 HN LYS 29 205.898 13.205 -8.627 226 HA LYS 29 HA LYS 29 207.958 11.302 -7.974 227 HB2 LYS 29 HB2 LYS 29 208.284 14.279 -8.313 228 HB3 LYS 29 HB1 LYS 29 209.496 13.028 -8.527 229 HG2 LYS 29 HG2 LYS 29 207.252 12.590 -10.279 230 HG3 LYS 29 HG1 LYS 29 207.927 14.206 -10.496 231 HD2 LYS 29 HD2 LYS 29 210.196 12.757 -10.393 232 HD3 LYS 29 HD1 LYS 29 209.099 11.560 -11.084 233 HE2 LYS 29 HE2 LYS 29 208.666 12.867 -12.965 234 HE3 LYS 29 HE1 LYS 29 209.232 14.343 -12.186 235 HZ1 LYS 29 HZ1 LYS 29 211.198 12.225 -12.493 236 HZ2 LYS 29 HZ2 LYS 29 211.366 13.896 -12.691 237 HZ3 LYS 29 HZ3 LYS 29 210.682 12.964 -13.925 238 H ILE 30 HN ILE 30 209.561 11.713 -6.280 239 HA ILE 30 HA ILE 30 208.340 13.054 -3.948 240 HB ILE 30 HB ILE 30 209.436 11.421 -2.497 241 HG12 ILE 30 HG12 ILE 30 210.187 9.982 -5.050 242 HG13 ILE 30 HG11 ILE 30 211.317 10.898 -4.056 243 HG21 ILE 30 HG21 ILE 30 208.021 9.490 -3.074 244 HG22 ILE 30 HG22 ILE 30 207.721 10.204 -4.659 245 HG23 ILE 30 HG23 ILE 30 207.152 11.019 -3.203 246 HD11 ILE 30 HD11 ILE 30 210.434 8.199 -3.777 247 HD12 ILE 30 HD12 ILE 30 210.028 9.112 -2.326 248 HD13 ILE 30 HD13 ILE 30 211.696 9.057 -2.897 249 H ILE 31 HN ILE 31 209.675 14.178 -2.520 250 HA ILE 31 HA ILE 31 212.513 14.404 -3.018 251 HB ILE 31 HB ILE 31 212.577 16.748 -3.484 252 HG12 ILE 31 HG12 ILE 31 210.400 17.175 -2.159 253 HG13 ILE 31 HG11 ILE 31 210.734 18.190 -3.555 254 HG21 ILE 31 HG21 ILE 31 210.573 15.480 -5.343 255 HG22 ILE 31 HG22 ILE 31 212.311 15.188 -5.381 256 HG23 ILE 31 HG23 ILE 31 211.681 16.800 -5.717 257 HD11 ILE 31 HD11 ILE 31 208.889 17.529 -4.591 258 HD12 ILE 31 HD12 ILE 31 208.400 16.853 -3.038 259 HD13 ILE 31 HD13 ILE 31 209.194 15.830 -4.235 260 H THR 32 HN THR 32 213.306 16.405 -1.563 261 HA THR 32 HA THR 32 212.105 15.879 1.068 262 HB THR 32 HB THR 32 214.160 16.352 2.052 263 HG1 THR 32 HG1 THR 32 215.007 17.600 -0.348 264 HG21 THR 32 HG21 THR 32 215.327 14.651 1.266 265 HG22 THR 32 HG22 THR 32 215.686 15.518 -0.227 266 HG23 THR 32 HG23 THR 32 214.204 14.573 -0.091 267 H TRP 33 HN TRP 33 211.572 17.586 2.499 268 HA TRP 33 HA TRP 33 211.795 20.323 1.602 269 HB2 TRP 33 HB2 TRP 33 209.756 19.343 0.439 270 HB3 TRP 33 HB1 TRP 33 209.028 19.193 2.035 271 HD1 TRP 33 HD1 TRP 33 207.581 21.181 2.717 272 HE1 TRP 33 HE1 TRP 33 207.405 23.658 2.042 273 HE3 TRP 33 HE3 TRP 33 211.505 21.413 -0.553 274 HZ2 TRP 33 HZ2 TRP 33 208.750 25.470 0.349 275 HZ3 TRP 33 HZ3 TRP 33 211.993 23.557 -1.658 276 HH2 TRP 33 HH2 TRP 33 210.642 25.542 -1.216 277 H ASP 34 HN ASP 34 210.619 21.810 3.230 278 HA ASP 34 HA ASP 34 211.555 21.136 5.833 279 HB2 ASP 34 HB2 ASP 34 209.712 23.411 5.082 280 HB3 ASP 34 HB1 ASP 34 210.748 23.306 6.502 281 H GLN 35 HN GLN 35 210.485 20.378 7.581 282 HA GLN 35 HA GLN 35 208.128 18.927 7.299 283 HB2 GLN 35 HB2 GLN 35 209.965 18.886 9.155 284 HB3 GLN 35 HB1 GLN 35 208.929 20.059 9.956 285 HG2 GLN 35 HG2 GLN 35 207.065 18.441 9.826 286 HG3 GLN 35 HG1 GLN 35 208.182 17.261 9.141 287 HE21 GLN 35 HE21 GLN 35 209.288 16.010 10.487 288 HE22 GLN 35 HE22 GLN 35 209.409 16.233 12.196 289 H LYS 36 HN LYS 36 206.010 19.378 7.492 290 HA LYS 36 HA LYS 36 205.281 22.163 8.104 291 HB2 LYS 36 HB2 LYS 36 204.419 20.266 6.055 292 HB3 LYS 36 HB1 LYS 36 203.070 21.010 6.903 293 HG2 LYS 36 HG2 LYS 36 203.283 22.725 5.516 294 HG3 LYS 36 HG1 LYS 36 204.777 23.125 6.366 295 HD2 LYS 36 HD2 LYS 36 205.395 23.027 4.108 296 HD3 LYS 36 HD1 LYS 36 205.912 21.476 4.773 297 HE2 LYS 36 HE2 LYS 36 203.172 21.496 3.731 298 HE3 LYS 36 HE1 LYS 36 204.414 21.795 2.516 299 HZ1 LYS 36 HZ1 LYS 36 205.536 19.750 3.605 300 HZ2 LYS 36 HZ2 LYS 36 204.267 19.517 2.512 301 HZ3 LYS 36 HZ3 LYS 36 203.981 19.406 4.175 302 H LYS 37 HN LYS 37 203.009 22.388 9.000 303 HA LYS 37 HA LYS 37 202.417 20.218 10.900 304 HB2 LYS 37 HB2 LYS 37 202.677 23.168 11.423 305 HB3 LYS 37 HB1 LYS 37 201.704 22.143 12.468 306 HG2 LYS 37 HG2 LYS 37 203.839 20.689 12.623 307 HG3 LYS 37 HG1 LYS 37 204.659 22.139 12.039 308 HD2 LYS 37 HD2 LYS 37 203.634 23.407 13.913 309 HD3 LYS 37 HD1 LYS 37 202.962 21.892 14.522 310 HE2 LYS 37 HE2 LYS 37 204.859 21.819 15.729 311 HE3 LYS 37 HE1 LYS 37 205.562 21.207 14.233 312 HZ1 LYS 37 HZ1 LYS 37 206.843 23.033 15.245 313 HZ2 LYS 37 HZ2 LYS 37 205.526 24.070 15.018 314 HZ3 LYS 37 HZ3 LYS 37 206.313 23.399 13.680 315 H GLY 38 HN GLY 38 200.565 19.399 10.121 316 HA2 GLY 38 HA2 GLY 38 198.117 20.605 10.447 317 HA3 GLY 38 HA1 GLY 38 198.588 20.989 8.798 318 HA PRO 39 HA PRO 39 196.409 16.703 9.372 319 HB2 PRO 39 HB2 PRO 39 194.606 18.065 7.427 320 HB3 PRO 39 HB1 PRO 39 194.209 16.955 8.744 321 HG2 PRO 39 HG2 PRO 39 193.763 19.566 8.995 322 HG3 PRO 39 HG1 PRO 39 194.363 18.610 10.363 323 HD2 PRO 39 HD2 PRO 39 195.827 20.515 8.593 324 HD3 PRO 39 HD1 PRO 39 196.033 20.198 10.327 325 H THR 40 HN THR 40 197.281 18.855 6.744 326 HA THR 40 HA THR 40 197.338 16.763 4.766 327 HB THR 40 HB THR 40 196.780 19.076 4.156 328 HG1 THR 40 HG1 THR 40 197.680 17.789 2.546 329 HG21 THR 40 HG21 THR 40 199.636 19.876 4.373 330 HG22 THR 40 HG22 THR 40 198.582 20.028 5.778 331 HG23 THR 40 HG23 THR 40 198.185 20.875 4.283 332 H ALA 41 HN ALA 41 199.218 16.938 7.285 333 HA ALA 41 HA ALA 41 201.848 17.063 6.187 334 HB1 ALA 41 HB1 ALA 41 201.900 17.534 8.424 335 HB2 ALA 41 HB2 ALA 41 202.325 15.822 8.462 336 HB3 ALA 41 HB3 ALA 41 200.674 16.329 8.820 337 H VAL 42 HN VAL 42 199.427 14.742 6.007 338 HA VAL 42 HA VAL 42 200.608 12.262 6.273 339 HB VAL 42 HB VAL 42 198.713 13.133 4.077 340 HG11 VAL 42 HG11 VAL 42 199.692 10.486 5.000 341 HG12 VAL 42 HG12 VAL 42 199.296 11.045 3.374 342 HG13 VAL 42 HG13 VAL 42 198.006 10.627 4.502 343 HG21 VAL 42 HG21 VAL 42 198.351 12.644 6.956 344 HG22 VAL 42 HG22 VAL 42 197.164 11.880 5.898 345 HG23 VAL 42 HG23 VAL 42 197.403 13.627 5.840 346 H ASN 43 HN ASN 43 201.154 14.684 3.825 347 HA ASN 43 HA ASN 43 202.271 13.040 1.846 348 HB2 ASN 43 HB2 ASN 43 203.009 15.920 2.356 349 HB3 ASN 43 HB1 ASN 43 203.076 15.051 0.826 350 HD21 ASN 43 HD21 ASN 43 201.809 17.289 0.635 351 HD22 ASN 43 HD22 ASN 43 200.092 17.098 0.624 352 H GLN 44 HN GLN 44 203.465 13.802 4.904 353 HA GLN 44 HA GLN 44 206.190 13.070 4.061 354 HB2 GLN 44 HB2 GLN 44 205.197 15.084 6.023 355 HB3 GLN 44 HB1 GLN 44 206.675 14.221 6.411 356 HG2 GLN 44 HG2 GLN 44 207.881 15.349 4.906 357 HG3 GLN 44 HG1 GLN 44 206.605 15.282 3.691 358 HE21 GLN 44 HE21 GLN 44 207.948 17.540 3.769 359 HE22 GLN 44 HE22 GLN 44 207.045 18.807 4.521 360 H LEU 45 HN LEU 45 203.533 11.816 5.266 361 HA LEU 45 HA LEU 45 204.923 10.225 7.297 362 HB2 LEU 45 HB2 LEU 45 202.022 10.927 7.082 363 HB3 LEU 45 HB1 LEU 45 202.655 9.797 8.214 364 HG LEU 45 HG LEU 45 204.173 12.128 8.570 365 HD11 LEU 45 HD11 LEU 45 201.779 12.852 7.408 366 HD12 LEU 45 HD12 LEU 45 202.852 13.895 8.332 367 HD13 LEU 45 HD13 LEU 45 201.501 13.088 9.129 368 HD21 LEU 45 HD21 LEU 45 202.899 12.155 10.755 369 HD22 LEU 45 HD22 LEU 45 203.737 10.654 10.359 370 HD23 LEU 45 HD23 LEU 45 201.992 10.775 10.134 371 H TRP 46 HN TRP 46 204.835 8.051 7.225 372 HA TRP 46 HA TRP 46 203.240 6.807 5.106 373 HB2 TRP 46 HB2 TRP 46 206.155 6.295 5.692 374 HB3 TRP 46 HB1 TRP 46 205.168 5.388 4.557 375 HD1 TRP 46 HD1 TRP 46 206.042 9.147 5.072 376 HE1 TRP 46 HE1 TRP 46 206.481 10.174 2.750 377 HE3 TRP 46 HE3 TRP 46 205.159 5.025 2.174 378 HZ2 TRP 46 HZ2 TRP 46 206.450 9.348 0.051 379 HZ3 TRP 46 HZ3 TRP 46 205.377 5.231 -0.266 380 HH2 TRP 46 HH2 TRP 46 206.009 7.348 -1.306 381 H TYR 47 HN TYR 47 203.284 4.356 5.367 382 HA TYR 47 HA TYR 47 203.589 3.541 8.145 383 HB2 TYR 47 HB2 TYR 47 201.371 2.514 8.232 384 HB3 TYR 47 HB1 TYR 47 201.259 4.249 7.984 385 HD1 TYR 47 HD2 TYR 47 201.360 1.101 5.955 386 HD2 TYR 47 HD1 TYR 47 199.751 5.005 6.447 387 HE1 TYR 47 HE2 TYR 47 199.879 0.728 4.027 388 HE2 TYR 47 HE1 TYR 47 198.262 4.645 4.524 389 HH TYR 47 HH TYR 47 198.310 3.131 2.419 390 H THR 48 HN THR 48 203.339 1.102 8.356 391 HA THR 48 HA THR 48 204.544 -0.136 5.979 392 HB THR 48 HB THR 48 205.057 -1.949 7.863 393 HG1 THR 48 HG1 THR 48 203.933 -0.732 9.471 394 HG21 THR 48 HG21 THR 48 206.633 0.607 7.748 395 HG22 THR 48 HG22 THR 48 206.745 -0.689 6.558 396 HG23 THR 48 HG23 THR 48 207.208 -0.988 8.233 397 H ASP 49 HN ASP 49 203.571 -1.756 4.935 398 HA ASP 49 HA ASP 49 200.887 -2.449 5.683 399 HB2 ASP 49 HB2 ASP 49 201.645 -2.157 3.316 400 HB3 ASP 49 HB1 ASP 49 202.582 -3.638 3.477 401 H GLN 50 HN GLN 50 200.167 -4.763 5.689 402 HA GLN 50 HA GLN 50 201.371 -6.158 7.795 403 HB2 GLN 50 HB2 GLN 50 199.297 -6.866 5.751 404 HB3 GLN 50 HB1 GLN 50 199.910 -8.103 6.840 405 HG2 GLN 50 HG2 GLN 50 198.857 -7.241 8.639 406 HG3 GLN 50 HG1 GLN 50 199.047 -5.576 8.091 407 HE21 GLN 50 HE21 GLN 50 197.434 -4.618 6.963 408 HE22 GLN 50 HE22 GLN 50 195.921 -5.372 6.608 409 H GLN 51 HN GLN 51 201.985 -6.214 4.386 410 HA GLN 51 HA GLN 51 203.514 -8.688 4.555 411 HB2 GLN 51 HB2 GLN 51 201.987 -7.935 2.585 412 HB3 GLN 51 HB1 GLN 51 203.367 -6.952 2.114 413 HG2 GLN 51 HG2 GLN 51 204.499 -8.705 1.331 414 HG3 GLN 51 HG1 GLN 51 204.065 -9.718 2.707 415 HE21 GLN 51 HE21 GLN 51 201.383 -9.842 2.580 416 HE22 GLN 51 HE22 GLN 51 200.874 -10.596 1.111 417 H GLY 52 HN GLY 52 204.094 -5.503 5.243 418 HA2 GLY 52 HA2 GLY 52 206.216 -4.757 5.996 419 HA3 GLY 52 HA1 GLY 52 206.977 -5.914 4.917 420 H VAL 53 HN VAL 53 204.468 -4.243 3.377 421 HA VAL 53 HA VAL 53 206.424 -2.611 1.944 422 HB VAL 53 HB VAL 53 203.542 -3.015 1.169 423 HG11 VAL 53 HG11 VAL 53 204.840 -2.778 -1.129 424 HG12 VAL 53 HG12 VAL 53 205.985 -1.916 -0.100 425 HG13 VAL 53 HG13 VAL 53 204.310 -1.374 -0.203 426 HG21 VAL 53 HG21 VAL 53 205.853 -4.718 0.250 427 HG22 VAL 53 HG22 VAL 53 204.149 -4.904 -0.166 428 HG23 VAL 53 HG23 VAL 53 204.693 -5.213 1.483 429 H ILE 54 HN ILE 54 206.575 -0.510 2.399 430 HA ILE 54 HA ILE 54 204.717 0.746 4.159 431 HB ILE 54 HB ILE 54 206.111 2.848 3.522 432 HG12 ILE 54 HG12 ILE 54 208.367 1.057 2.956 433 HG13 ILE 54 HG11 ILE 54 207.182 1.151 1.656 434 HG21 ILE 54 HG21 ILE 54 207.450 0.597 4.999 435 HG22 ILE 54 HG22 ILE 54 206.152 1.591 5.660 436 HG23 ILE 54 HG23 ILE 54 207.695 2.328 5.230 437 HD11 ILE 54 HD11 ILE 54 209.110 2.769 1.549 438 HD12 ILE 54 HD12 ILE 54 208.379 3.588 2.929 439 HD13 ILE 54 HD13 ILE 54 207.497 3.467 1.407 440 H ARG 55 HN ARG 55 203.389 2.484 3.783 441 HA ARG 55 HA ARG 55 202.992 3.483 1.099 442 HB2 ARG 55 HB2 ARG 55 200.450 2.605 2.318 443 HB3 ARG 55 HB1 ARG 55 200.944 2.617 0.636 444 HG2 ARG 55 HG2 ARG 55 202.095 0.607 2.526 445 HG3 ARG 55 HG1 ARG 55 200.498 0.366 1.817 446 HD2 ARG 55 HD2 ARG 55 202.557 1.161 -0.106 447 HD3 ARG 55 HD1 ARG 55 202.860 -0.389 0.674 448 HE ARG 55 HE ARG 55 200.769 0.234 -1.211 449 HH11 ARG 55 HH11 ARG 55 201.830 -1.948 1.300 450 HH12 ARG 55 HH12 ARG 55 200.847 -3.260 0.746 451 HH21 ARG 55 HH21 ARG 55 199.475 -1.492 -1.937 452 HH22 ARG 55 HH22 ARG 55 199.511 -3.003 -1.092 453 H SER 56 HN SER 56 202.287 5.553 1.126 454 HA SER 56 HA SER 56 202.475 7.106 3.382 455 HB2 SER 56 HB2 SER 56 200.857 7.626 0.882 456 HB3 SER 56 HB1 SER 56 201.218 8.848 2.101 457 HG SER 56 HG SER 56 203.228 7.350 0.787 458 H LYS 57 HN LYS 57 201.052 8.146 4.750 459 HA LYS 57 HA LYS 57 198.995 6.589 5.811 460 HB2 LYS 57 HB2 LYS 57 199.503 7.968 7.484 461 HB3 LYS 57 HB1 LYS 57 200.298 9.083 6.392 462 HG2 LYS 57 HG2 LYS 57 198.726 10.560 6.836 463 HG3 LYS 57 HG1 LYS 57 197.538 9.513 6.069 464 HD2 LYS 57 HD2 LYS 57 197.124 8.396 8.188 465 HD3 LYS 57 HD1 LYS 57 198.369 9.376 8.964 466 HE2 LYS 57 HE2 LYS 57 196.224 10.836 7.548 467 HE3 LYS 57 HE1 LYS 57 195.760 9.991 9.025 468 HZ1 LYS 57 HZ1 LYS 57 197.962 11.973 8.800 469 HZ2 LYS 57 HZ2 LYS 57 197.480 11.183 10.216 470 HZ3 LYS 57 HZ3 LYS 57 196.434 12.276 9.461 471 H LEU 58 HN LEU 58 198.982 8.766 3.162 472 HA LEU 58 HA LEU 58 196.321 9.642 3.200 473 HB2 LEU 58 HB2 LEU 58 196.646 9.834 0.682 474 HB3 LEU 58 HB1 LEU 58 197.732 10.750 1.708 475 HG LEU 58 HG LEU 58 199.031 8.304 1.272 476 HD11 LEU 58 HD11 LEU 58 198.675 9.201 -1.460 477 HD12 LEU 58 HD12 LEU 58 197.180 8.577 -0.764 478 HD13 LEU 58 HD13 LEU 58 198.629 7.572 -0.788 479 HD21 LEU 58 HD21 LEU 58 199.427 10.999 -0.022 480 HD22 LEU 58 HD22 LEU 58 200.613 9.694 0.008 481 HD23 LEU 58 HD23 LEU 58 200.111 10.464 1.513 482 H ASN 59 HN ASN 59 197.768 6.821 1.574 483 HA ASN 59 HA ASN 59 195.552 5.159 2.016 484 HB2 ASN 59 HB2 ASN 59 194.638 5.004 -0.268 485 HB3 ASN 59 HB1 ASN 59 194.407 6.609 0.417 486 HD21 ASN 59 HD21 ASN 59 194.236 7.622 -1.546 487 HD22 ASN 59 HD22 ASN 59 195.573 7.821 -2.622 488 H ASP 60 HN ASP 60 195.630 3.342 0.065 489 HA ASP 60 HA ASP 60 198.133 2.074 0.456 490 HB2 ASP 60 HB2 ASP 60 197.224 0.400 -1.205 491 HB3 ASP 60 HB1 ASP 60 196.208 0.687 0.205 492 H PHE 61 HN PHE 61 199.633 3.637 -0.364 493 HA PHE 61 HA PHE 61 200.062 3.327 -3.237 494 HB2 PHE 61 HB2 PHE 61 199.430 5.849 -1.869 495 HB3 PHE 61 HB1 PHE 61 200.876 5.922 -2.870 496 HD1 PHE 61 HD1 PHE 61 197.366 4.669 -3.040 497 HD2 PHE 61 HD2 PHE 61 200.629 6.489 -5.077 498 HE1 PHE 61 HE1 PHE 61 195.963 4.933 -5.043 499 HE2 PHE 61 HE2 PHE 61 199.232 6.757 -7.084 500 HZ PHE 61 HZ PHE 61 196.895 5.980 -7.069 501 H ALA 62 HN ALA 62 202.002 2.473 -3.456 502 HA ALA 62 HA ALA 62 204.092 3.154 -1.497 503 HB1 ALA 62 HB1 ALA 62 203.327 0.667 -2.852 504 HB2 ALA 62 HB2 ALA 62 204.125 0.918 -1.300 505 HB3 ALA 62 HB3 ALA 62 205.063 0.974 -2.792 506 H ILE 63 HN ILE 63 206.209 3.559 -2.207 507 HA ILE 63 HA ILE 63 206.362 4.960 -4.717 508 HB ILE 63 HB ILE 63 208.874 4.394 -3.258 509 HG12 ILE 63 HG12 ILE 63 207.840 6.592 -1.877 510 HG13 ILE 63 HG11 ILE 63 206.536 5.411 -1.860 511 HG21 ILE 63 HG21 ILE 63 207.621 6.879 -4.410 512 HG22 ILE 63 HG22 ILE 63 208.858 5.872 -5.158 513 HG23 ILE 63 HG23 ILE 63 209.231 6.790 -3.701 514 HD11 ILE 63 HD11 ILE 63 208.358 3.754 -1.102 515 HD12 ILE 63 HD12 ILE 63 207.731 4.924 0.059 516 HD13 ILE 63 HD13 ILE 63 209.288 5.203 -0.720 517 H ASP 64 HN ASP 64 207.875 4.502 -6.416 518 HA ASP 64 HA ASP 64 208.866 1.748 -6.442 519 HB2 ASP 64 HB2 ASP 64 208.029 1.297 -8.603 520 HB3 ASP 64 HB1 ASP 64 206.695 2.001 -7.700 521 H ALA 65 HN ALA 65 210.850 1.499 -7.102 522 HA ALA 65 HA ALA 65 212.317 3.836 -8.089 523 HB1 ALA 65 HB1 ALA 65 213.056 1.351 -6.670 524 HB2 ALA 65 HB2 ALA 65 213.615 3.006 -6.430 525 HB3 ALA 65 HB3 ALA 65 214.260 2.041 -7.758 526 H SER 66 HN SER 66 210.569 2.660 -9.952 527 HA SER 66 HA SER 66 211.982 0.874 -11.679 528 HB2 SER 66 HB2 SER 66 209.386 1.384 -11.424 529 HB3 SER 66 HB1 SER 66 209.733 2.538 -12.713 530 HG SER 66 HG SER 66 210.527 -0.174 -12.849 531 H HIS 67 HN HIS 67 211.285 4.343 -11.741 532 HA HIS 67 HA HIS 67 212.962 4.678 -14.102 533 HB2 HIS 67 HB2 HIS 67 211.262 6.651 -12.566 534 HB3 HIS 67 HB1 HIS 67 212.154 7.017 -14.033 535 HD1 HIS 67 HD1 HIS 67 209.063 7.301 -13.839 536 HD2 HIS 67 HD2 HIS 67 211.057 3.989 -15.362 537 HE1 HIS 67 HE1 HIS 67 207.414 6.165 -15.360 538 HE2 HIS 67 HE2 HIS 67 208.613 4.113 -16.198 539 H GLU 68 HN GLU 68 214.442 6.660 -14.059 540 HA GLU 68 HA GLU 68 216.558 6.289 -12.374 541 HB2 GLU 68 HB2 GLU 68 215.759 8.992 -13.455 542 HB3 GLU 68 HB1 GLU 68 217.382 8.439 -13.063 543 HG2 GLU 68 HG2 GLU 68 216.996 6.653 -14.858 544 HG3 GLU 68 HG1 GLU 68 215.639 7.656 -15.367 545 H GLN 69 HN GLN 69 213.902 8.596 -11.931 546 HA GLN 69 HA GLN 69 214.812 9.084 -9.192 547 HB2 GLN 69 HB2 GLN 69 212.489 10.627 -10.000 548 HB3 GLN 69 HB1 GLN 69 214.046 11.177 -9.413 549 HG2 GLN 69 HG2 GLN 69 214.504 10.367 -12.047 550 HG3 GLN 69 HG1 GLN 69 212.971 11.234 -12.073 551 HE21 GLN 69 HE21 GLN 69 216.331 11.443 -11.058 552 HE22 GLN 69 HE22 GLN 69 216.451 13.163 -11.171 553 H ILE 70 HN ILE 70 213.439 8.708 -7.427 554 HA ILE 70 HA ILE 70 211.596 6.563 -7.820 555 HB ILE 70 HB ILE 70 211.641 8.017 -5.219 556 HG12 ILE 70 HG12 ILE 70 213.990 7.999 -5.847 557 HG13 ILE 70 HG11 ILE 70 213.704 6.805 -4.588 558 HG21 ILE 70 HG21 ILE 70 210.524 5.695 -6.077 559 HG22 ILE 70 HG22 ILE 70 210.929 6.045 -4.396 560 HG23 ILE 70 HG23 ILE 70 212.042 5.114 -5.397 561 HD11 ILE 70 HD11 ILE 70 213.355 5.510 -7.072 562 HD12 ILE 70 HD12 ILE 70 214.619 5.258 -5.869 563 HD13 ILE 70 HD13 ILE 70 214.850 6.441 -7.157 564 H GLU 71 HN GLU 71 209.468 6.500 -7.784 565 HA GLU 71 HA GLU 71 207.957 9.006 -7.460 566 HB2 GLU 71 HB2 GLU 71 208.454 7.983 -9.910 567 HB3 GLU 71 HB1 GLU 71 206.982 7.108 -9.514 568 HG2 GLU 71 HG2 GLU 71 205.699 9.023 -9.456 569 HG3 GLU 71 HG1 GLU 71 207.089 10.069 -9.173 570 H THR 72 HN THR 72 205.621 8.648 -7.107 571 HA THR 72 HA THR 72 205.196 6.204 -5.539 572 HB THR 72 HB THR 72 203.280 7.522 -4.540 573 HG1 THR 72 HG1 THR 72 203.110 9.636 -4.984 574 HG21 THR 72 HG21 THR 72 205.879 7.497 -3.796 575 HG22 THR 72 HG22 THR 72 204.582 8.276 -2.892 576 HG23 THR 72 HG23 THR 72 205.592 9.227 -3.981 577 H GLN 73 HN GLN 73 203.514 4.838 -5.960 578 HA GLN 73 HA GLN 73 201.352 5.522 -7.700 579 HB2 GLN 73 HB2 GLN 73 202.481 3.279 -9.045 580 HB3 GLN 73 HB1 GLN 73 202.152 4.880 -9.686 581 HG2 GLN 73 HG2 GLN 73 204.345 5.634 -9.126 582 HG3 GLN 73 HG1 GLN 73 204.681 4.152 -8.232 583 HE21 GLN 73 HE21 GLN 73 205.098 5.731 -11.111 584 HE22 GLN 73 HE22 GLN 73 205.513 4.384 -12.110 585 HA PRO 74 HA PRO 74 199.238 2.232 -5.678 586 HB2 PRO 74 HB2 PRO 74 198.561 1.098 -8.347 587 HB3 PRO 74 HB1 PRO 74 197.494 1.539 -7.009 588 HG2 PRO 74 HG2 PRO 74 197.662 3.074 -9.180 589 HG3 PRO 74 HG1 PRO 74 197.508 3.789 -7.564 590 HD2 PRO 74 HD2 PRO 74 199.912 3.568 -9.319 591 HD3 PRO 74 HD1 PRO 74 199.436 4.873 -8.214 592 H PHE 75 HN PHE 75 199.724 0.223 -4.904 593 HA PHE 75 HA PHE 75 202.153 -0.978 -5.490 594 HB2 PHE 75 HB2 PHE 75 200.809 -1.299 -3.405 595 HB3 PHE 75 HB1 PHE 75 199.740 -2.364 -4.312 596 HD1 PHE 75 HD2 PHE 75 203.452 -2.019 -4.161 597 HD2 PHE 75 HD1 PHE 75 200.060 -4.535 -3.642 598 HE1 PHE 75 HE2 PHE 75 204.940 -3.916 -3.673 599 HE2 PHE 75 HE1 PHE 75 201.542 -6.438 -3.152 600 HZ PHE 75 HZ PHE 75 203.985 -6.130 -3.168 601 H ASP 76 HN ASP 76 202.844 -2.497 -6.880 602 HA ASP 76 HA ASP 76 200.850 -3.801 -8.608 603 HB2 ASP 76 HB2 ASP 76 201.977 -2.005 -9.845 604 HB3 ASP 76 HB1 ASP 76 203.541 -2.711 -9.455 605 HA PRO 77 HA PRO 77 202.804 -7.440 -6.858 606 HB2 PRO 77 HB2 PRO 77 201.361 -8.767 -9.084 607 HB3 PRO 77 HB1 PRO 77 201.329 -9.117 -7.353 608 HG2 PRO 77 HG2 PRO 77 199.270 -7.911 -8.540 609 HG3 PRO 77 HG1 PRO 77 199.787 -7.445 -6.909 610 HD2 PRO 77 HD2 PRO 77 200.266 -6.064 -9.518 611 HD3 PRO 77 HD1 PRO 77 199.897 -5.371 -7.925 612 H ASN 78 HN ASN 78 202.719 -6.833 -10.355 613 HA ASN 78 HA ASN 78 204.973 -8.590 -10.808 614 HB2 ASN 78 HB2 ASN 78 203.107 -7.025 -12.525 615 HB3 ASN 78 HB1 ASN 78 204.680 -7.453 -13.190 616 HD21 ASN 78 HD21 ASN 78 201.670 -8.355 -13.356 617 HD22 ASN 78 HD22 ASN 78 201.818 -10.073 -13.460 618 H ASN 79 HN ASN 79 204.759 -5.538 -9.605 619 HA ASN 79 HA ASN 79 207.194 -4.623 -10.969 620 HB2 ASN 79 HB2 ASN 79 204.968 -3.215 -10.706 621 HB3 ASN 79 HB1 ASN 79 205.661 -2.844 -9.130 622 HD21 ASN 79 HD21 ASN 79 207.068 -1.242 -9.009 623 HD22 ASN 79 HD22 ASN 79 207.858 -0.491 -10.349 624 HA PRO 80 HA PRO 80 209.023 -5.826 -6.998 625 HB2 PRO 80 HB2 PRO 80 211.533 -6.138 -7.881 626 HB3 PRO 80 HB1 PRO 80 210.278 -7.344 -8.190 627 HG2 PRO 80 HG2 PRO 80 211.341 -5.212 -9.994 628 HG3 PRO 80 HG1 PRO 80 210.957 -6.902 -10.363 629 HD2 PRO 80 HD2 PRO 80 209.298 -4.802 -10.942 630 HD3 PRO 80 HD1 PRO 80 208.729 -6.458 -10.652 631 H LYS 81 HN LYS 81 208.724 -2.981 -8.175 632 HA LYS 81 HA LYS 81 210.981 -1.783 -6.741 633 HB2 LYS 81 HB2 LYS 81 209.445 -0.832 -9.157 634 HB3 LYS 81 HB1 LYS 81 210.555 0.181 -8.261 635 HG2 LYS 81 HG2 LYS 81 211.912 -0.557 -9.940 636 HG3 LYS 81 HG1 LYS 81 212.232 -1.772 -8.700 637 HD2 LYS 81 HD2 LYS 81 210.770 -3.335 -9.745 638 HD3 LYS 81 HD1 LYS 81 210.158 -2.108 -10.856 639 HE2 LYS 81 HE2 LYS 81 211.662 -3.329 -12.154 640 HE3 LYS 81 HE1 LYS 81 212.587 -1.911 -11.662 641 HZ1 LYS 81 HZ1 LYS 81 213.112 -3.647 -9.677 642 HZ2 LYS 81 HZ2 LYS 81 214.097 -3.416 -11.032 643 HZ3 LYS 81 HZ3 LYS 81 212.987 -4.692 -11.002 644 H ARG 82 HN ARG 82 207.559 -2.053 -7.073 645 HA ARG 82 HA ARG 82 206.938 0.348 -5.587 646 HB2 ARG 82 HB2 ARG 82 205.363 -1.799 -6.928 647 HB3 ARG 82 HB1 ARG 82 204.578 -0.787 -5.724 648 HG2 ARG 82 HG2 ARG 82 205.148 1.200 -6.991 649 HG3 ARG 82 HG1 ARG 82 205.985 0.212 -8.189 650 HD2 ARG 82 HD2 ARG 82 203.347 -0.809 -7.815 651 HD3 ARG 82 HD1 ARG 82 203.257 0.930 -8.094 652 HE ARG 82 HE ARG 82 204.949 -0.508 -9.939 653 HH11 ARG 82 HH11 ARG 82 201.731 0.679 -9.286 654 HH12 ARG 82 HH12 ARG 82 201.264 0.691 -10.953 655 HH21 ARG 82 HH21 ARG 82 204.334 -0.492 -12.131 656 HH22 ARG 82 HH22 ARG 82 202.740 0.025 -12.568 657 H ALA 83 HN ALA 83 208.429 -2.018 -4.343 658 HA ALA 83 HA ALA 83 206.678 -2.213 -1.986 659 HB1 ALA 83 HB1 ALA 83 207.611 -4.365 -3.624 660 HB2 ALA 83 HB2 ALA 83 206.523 -4.407 -2.238 661 HB3 ALA 83 HB3 ALA 83 208.265 -4.524 -1.994 662 H TRP 84 HN TRP 84 207.685 -0.777 -0.709 663 HA TRP 84 HA TRP 84 210.576 -1.120 -0.293 664 HB2 TRP 84 HB2 TRP 84 208.801 1.279 0.174 665 HB3 TRP 84 HB1 TRP 84 210.517 1.210 0.572 666 HD1 TRP 84 HD1 TRP 84 208.222 0.956 -2.540 667 HE1 TRP 84 HE1 TRP 84 209.562 1.766 -4.582 668 HE3 TRP 84 HE3 TRP 84 212.735 1.710 -0.283 669 HZ2 TRP 84 HZ2 TRP 84 212.182 2.632 -5.146 670 HZ3 TRP 84 HZ3 TRP 84 214.608 2.531 -1.640 671 HH2 TRP 84 HH2 TRP 84 214.336 2.982 -4.025 672 H ILE 85 HN ILE 85 211.401 -1.526 1.646 673 HA ILE 85 HA ILE 85 209.522 -1.789 3.909 674 HB ILE 85 HB ILE 85 210.995 -3.557 4.794 675 HG12 ILE 85 HG12 ILE 85 212.407 -4.306 2.443 676 HG13 ILE 85 HG11 ILE 85 212.747 -2.604 2.737 677 HG21 ILE 85 HG21 ILE 85 209.373 -4.729 3.797 678 HG22 ILE 85 HG22 ILE 85 210.579 -5.074 2.557 679 HG23 ILE 85 HG23 ILE 85 209.436 -3.749 2.332 680 HD11 ILE 85 HD11 ILE 85 213.083 -3.565 5.215 681 HD12 ILE 85 HD12 ILE 85 214.377 -3.458 4.022 682 HD13 ILE 85 HD13 ILE 85 213.532 -4.986 4.271 683 H VAL 86 HN VAL 86 210.411 -1.337 6.047 684 HA VAL 86 HA VAL 86 212.505 0.707 5.894 685 HB VAL 86 HB VAL 86 210.766 0.176 8.289 686 HG11 VAL 86 HG11 VAL 86 211.204 2.760 8.401 687 HG12 VAL 86 HG12 VAL 86 212.575 2.355 7.369 688 HG13 VAL 86 HG13 VAL 86 212.421 1.614 8.962 689 HG21 VAL 86 HG21 VAL 86 209.325 2.048 7.427 690 HG22 VAL 86 HG22 VAL 86 209.187 0.528 6.543 691 HG23 VAL 86 HG23 VAL 86 210.132 1.857 5.871 692 H SER 87 HN SER 87 214.458 0.332 6.667 693 HA SER 87 HA SER 87 214.832 -1.927 8.523 694 HB2 SER 87 HB2 SER 87 215.878 -2.571 6.494 695 HB3 SER 87 HB1 SER 87 216.560 -0.964 6.244 696 HG SER 87 HG SER 87 218.050 -2.596 7.054 697 H GLY 88 HN GLY 88 214.764 -0.746 10.419 698 HA2 GLY 88 HA2 GLY 88 215.718 0.436 12.144 699 HA3 GLY 88 HA1 GLY 88 217.170 0.579 11.165 700 H ASN 89 HN ASN 89 217.598 2.441 10.129 701 HA ASN 89 HA ASN 89 215.602 4.593 10.370 702 HB2 ASN 89 HB2 ASN 89 217.429 6.145 10.743 703 HB3 ASN 89 HB1 ASN 89 217.549 4.829 11.905 704 HD21 ASN 89 HD21 ASN 89 218.737 5.816 8.704 705 HD22 ASN 89 HD22 ASN 89 220.307 5.123 8.886 706 H THR 90 HN THR 90 216.081 2.751 8.108 707 HA THR 90 HA THR 90 216.513 4.802 6.092 708 HB THR 90 HB THR 90 217.912 2.838 4.927 709 HG1 THR 90 HG1 THR 90 218.575 2.623 7.668 710 HG21 THR 90 HG21 THR 90 218.560 5.280 5.608 711 HG22 THR 90 HG22 THR 90 219.795 4.090 5.199 712 HG23 THR 90 HG23 THR 90 219.442 4.450 6.889 713 H ILE 91 HN ILE 91 215.598 4.405 4.117 714 HA ILE 91 HA ILE 91 213.543 2.319 4.081 715 HB ILE 91 HB ILE 91 213.952 4.458 1.987 716 HG12 ILE 91 HG12 ILE 91 213.777 5.621 4.109 717 HG13 ILE 91 HG11 ILE 91 212.261 5.798 3.230 718 HG21 ILE 91 HG21 ILE 91 211.335 4.082 2.042 719 HG22 ILE 91 HG22 ILE 91 211.815 2.518 2.701 720 HG23 ILE 91 HG23 ILE 91 212.402 3.025 1.118 721 HD11 ILE 91 HD11 ILE 91 212.694 3.736 5.371 722 HD12 ILE 91 HD12 ILE 91 211.171 4.231 4.632 723 HD13 ILE 91 HD13 ILE 91 212.046 5.346 5.681 724 H ALA 92 HN ALA 92 213.948 0.448 3.074 725 HA ALA 92 HA ALA 92 215.931 0.471 0.890 726 HB1 ALA 92 HB1 ALA 92 216.395 -0.692 3.246 727 HB2 ALA 92 HB2 ALA 92 217.022 -1.332 1.727 728 HB3 ALA 92 HB3 ALA 92 215.568 -2.024 2.441 729 H GLN 93 HN GLN 93 215.595 -0.806 -0.876 730 HA GLN 93 HA GLN 93 212.936 -1.338 -1.658 731 HB2 GLN 93 HB2 GLN 93 215.164 -0.875 -3.000 732 HB3 GLN 93 HB1 GLN 93 215.259 -2.628 -3.015 733 HG2 GLN 93 HG2 GLN 93 214.025 -2.527 -4.851 734 HG3 GLN 93 HG1 GLN 93 212.672 -2.166 -3.779 735 HE21 GLN 93 HE21 GLN 93 215.437 -0.149 -4.648 736 HE22 GLN 93 HE22 GLN 93 214.514 1.119 -5.365 737 H LEU 94 HN LEU 94 211.860 -3.275 -2.014 738 HA LEU 94 HA LEU 94 212.257 -5.323 -0.147 739 HB2 LEU 94 HB2 LEU 94 210.443 -6.455 -1.144 740 HB3 LEU 94 HB1 LEU 94 210.095 -4.748 -1.291 741 HG LEU 94 HG LEU 94 211.243 -6.374 -3.555 742 HD11 LEU 94 HD11 LEU 94 209.293 -7.419 -3.671 743 HD12 LEU 94 HD12 LEU 94 208.633 -5.875 -4.205 744 HD13 LEU 94 HD13 LEU 94 208.540 -6.333 -2.504 745 HD21 LEU 94 HD21 LEU 94 209.780 -3.738 -3.530 746 HD22 LEU 94 HD22 LEU 94 210.428 -4.560 -4.940 747 HD23 LEU 94 HD23 LEU 94 211.523 -3.932 -3.713 748 H SER 95 HN SER 95 212.776 -5.459 -3.692 749 HA SER 95 HA SER 95 214.052 -8.004 -3.526 750 HB2 SER 95 HB2 SER 95 213.439 -6.055 -5.693 751 HB3 SER 95 HB1 SER 95 214.680 -7.271 -6.000 752 HG SER 95 HG SER 95 212.889 -8.316 -6.563 753 H ASP 96 HN ASP 96 215.214 -4.998 -2.721 754 HA ASP 96 HA ASP 96 217.958 -5.942 -3.078 755 HB2 ASP 96 HB2 ASP 96 216.913 -3.233 -3.903 756 HB3 ASP 96 HB1 ASP 96 218.625 -3.573 -3.670 757 H ARG 97 HN ARG 97 217.983 -6.418 -0.862 758 HA ARG 97 HA ARG 97 217.301 -4.544 1.149 759 HB2 ARG 97 HB2 ARG 97 218.829 -7.119 1.078 760 HB3 ARG 97 HB1 ARG 97 218.898 -6.117 2.520 761 HG2 ARG 97 HG2 ARG 97 217.100 -7.286 3.148 762 HG3 ARG 97 HG1 ARG 97 216.225 -6.196 2.071 763 HD2 ARG 97 HD2 ARG 97 215.521 -8.042 1.030 764 HD3 ARG 97 HD1 ARG 97 217.148 -8.136 0.358 765 HE ARG 97 HE ARG 97 216.871 -9.393 2.932 766 HH11 ARG 97 HH11 ARG 97 216.582 -9.827 -0.519 767 HH12 ARG 97 HH12 ARG 97 216.783 -11.546 -0.445 768 HH21 ARG 97 HH21 ARG 97 217.134 -11.652 3.031 769 HH22 ARG 97 HH22 ARG 97 217.095 -12.582 1.570 770 H ASP 98 HN ASP 98 219.974 -4.873 -0.940 771 HA ASP 98 HA ASP 98 221.764 -3.326 0.774 772 HB2 ASP 98 HB2 ASP 98 222.219 -4.483 -1.987 773 HB3 ASP 98 HB1 ASP 98 223.442 -3.712 -0.981 774 H ILE 99 HN ILE 99 219.221 -2.502 -0.876 775 HA ILE 99 HA ILE 99 220.406 -0.053 -1.996 776 HB ILE 99 HB ILE 99 218.146 -1.751 -3.028 777 HG12 ILE 99 HG12 ILE 99 220.498 -2.087 -3.830 778 HG13 ILE 99 HG11 ILE 99 219.353 -1.676 -5.102 779 HG21 ILE 99 HG21 ILE 99 217.087 0.319 -3.073 780 HG22 ILE 99 HG22 ILE 99 217.796 0.181 -4.682 781 HG23 ILE 99 HG23 ILE 99 218.577 1.181 -3.456 782 HD11 ILE 99 HD11 ILE 99 220.137 0.677 -4.955 783 HD12 ILE 99 HD12 ILE 99 221.374 -0.468 -5.474 784 HD13 ILE 99 HD13 ILE 99 221.374 0.141 -3.819 785 H VAL 100 HN VAL 100 219.702 1.780 -1.064 786 HA VAL 100 HA VAL 100 217.064 1.847 0.174 787 HB VAL 100 HB VAL 100 217.906 2.845 2.245 788 HG11 VAL 100 HG11 VAL 100 218.267 0.082 1.477 789 HG12 VAL 100 HG12 VAL 100 217.603 0.765 2.956 790 HG13 VAL 100 HG13 VAL 100 219.344 0.548 2.789 791 HG21 VAL 100 HG21 VAL 100 220.394 2.406 2.735 792 HG22 VAL 100 HG22 VAL 100 219.970 3.789 1.727 793 HG23 VAL 100 HG23 VAL 100 220.567 2.305 0.983 794 H LEU 101 HN LEU 101 216.080 3.780 0.003 795 HA LEU 101 HA LEU 101 216.886 5.718 -1.735 796 HB2 LEU 101 HB2 LEU 101 215.251 6.254 0.729 797 HB3 LEU 101 HB1 LEU 101 215.267 7.206 -0.730 798 HG LEU 101 HG LEU 101 214.457 4.346 -0.853 799 HD11 LEU 101 HD11 LEU 101 213.206 5.939 0.916 800 HD12 LEU 101 HD12 LEU 101 212.395 4.664 0.005 801 HD13 LEU 101 HD13 LEU 101 212.309 6.336 -0.549 802 HD21 LEU 101 HD21 LEU 101 214.854 5.624 -2.921 803 HD22 LEU 101 HD22 LEU 101 213.611 6.772 -2.424 804 HD23 LEU 101 HD23 LEU 101 213.179 5.096 -2.761 805 H ASP 102 HN ASP 102 217.612 7.805 -1.577 806 HA ASP 102 HA ASP 102 219.033 8.665 0.786 807 HB2 ASP 102 HB2 ASP 102 220.558 7.059 -0.241 808 HB3 ASP 102 HB1 ASP 102 220.436 7.907 -1.774 809 H ILE 103 HN ILE 103 220.195 10.778 0.318 810 HA ILE 103 HA ILE 103 218.434 12.445 -1.292 811 HB ILE 103 HB ILE 103 220.757 13.339 0.412 812 HG12 ILE 103 HG12 ILE 103 219.163 12.113 1.799 813 HG13 ILE 103 HG11 ILE 103 219.068 13.837 2.146 814 HG21 ILE 103 HG21 ILE 103 219.515 14.772 -1.453 815 HG22 ILE 103 HG22 ILE 103 220.075 15.479 0.062 816 HG23 ILE 103 HG23 ILE 103 218.381 15.027 -0.127 817 HD11 ILE 103 HD11 ILE 103 217.052 12.020 1.084 818 HD12 ILE 103 HD12 ILE 103 217.173 13.547 0.210 819 HD13 ILE 103 HD13 ILE 103 216.869 13.546 1.947 820 H ILE 104 HN ILE 104 218.929 13.176 -3.279 821 HA ILE 104 HA ILE 104 221.258 12.317 -4.608 822 HB ILE 104 HB ILE 104 219.191 12.815 -5.803 823 HG12 ILE 104 HG12 ILE 104 220.581 14.734 -7.315 824 HG13 ILE 104 HG11 ILE 104 221.821 13.749 -6.546 825 HG21 ILE 104 HG21 ILE 104 219.704 15.745 -5.602 826 HG22 ILE 104 HG22 ILE 104 218.822 14.927 -4.312 827 HG23 ILE 104 HG23 ILE 104 218.206 14.887 -5.964 828 HD11 ILE 104 HD11 ILE 104 221.473 12.109 -7.984 829 HD12 ILE 104 HD12 ILE 104 220.361 13.168 -8.851 830 HD13 ILE 104 HD13 ILE 104 219.751 12.075 -7.608 831 H LYS 105 HN LYS 105 223.178 13.205 -4.946 832 HA LYS 105 HA LYS 105 224.974 14.584 -4.769 833 HB2 LYS 105 HB2 LYS 105 222.961 16.141 -5.778 834 HB3 LYS 105 HB1 LYS 105 223.465 17.070 -4.373 835 HG2 LYS 105 HG2 LYS 105 225.747 17.117 -5.188 836 HG3 LYS 105 HG1 LYS 105 225.292 16.115 -6.568 837 HD2 LYS 105 HD2 LYS 105 223.591 17.975 -7.088 838 HD3 LYS 105 HD1 LYS 105 224.543 18.960 -5.975 839 HE2 LYS 105 HE2 LYS 105 225.595 17.562 -8.432 840 HE3 LYS 105 HE1 LYS 105 225.232 19.283 -8.307 841 HZ1 LYS 105 HZ1 LYS 105 227.047 18.194 -6.310 842 HZ2 LYS 105 HZ2 LYS 105 227.090 19.680 -7.117 843 HZ3 LYS 105 HZ3 LYS 105 227.644 18.282 -7.891 844 H SER 106 HN SER 106 223.142 13.835 -2.281 845 HA SER 106 HA SER 106 223.067 14.280 -0.030 846 HB2 SER 106 HB2 SER 106 225.350 14.273 0.987 847 HB3 SER 106 HB1 SER 106 225.106 12.994 -0.203 848 HG SER 106 HG SER 106 226.270 15.485 -0.868 849 H ASP 107 HN ASP 107 222.651 16.659 -1.622 850 HA ASP 107 HA ASP 107 224.075 18.759 -0.189 851 HB2 ASP 107 HB2 ASP 107 223.163 18.565 -2.780 852 HB3 ASP 107 HB1 ASP 107 221.952 19.597 -2.027 853 H LYS 108 HN LYS 108 222.975 20.480 0.887 854 HA LYS 108 HA LYS 108 220.781 19.547 2.500 855 HB2 LYS 108 HB2 LYS 108 222.839 21.484 2.740 856 HB3 LYS 108 HB1 LYS 108 221.309 22.336 2.897 857 HG2 LYS 108 HG2 LYS 108 221.793 21.758 5.074 858 HG3 LYS 108 HG1 LYS 108 220.708 20.461 4.570 859 HD2 LYS 108 HD2 LYS 108 222.320 19.121 5.394 860 HD3 LYS 108 HD1 LYS 108 223.107 19.431 3.845 861 HE2 LYS 108 HE2 LYS 108 224.471 21.136 4.787 862 HE3 LYS 108 HE1 LYS 108 223.541 21.140 6.284 863 HZ1 LYS 108 HZ1 LYS 108 225.645 19.340 5.415 864 HZ2 LYS 108 HZ2 LYS 108 224.341 18.604 6.201 865 HZ3 LYS 108 HZ3 LYS 108 225.213 19.829 6.976 866 H GLU 109 HN GLU 109 221.069 21.289 -0.415 867 HA GLU 109 HA GLU 109 219.034 23.131 -0.380 868 HB2 GLU 109 HB2 GLU 109 218.887 22.873 -2.778 869 HB3 GLU 109 HB1 GLU 109 220.569 22.740 -2.285 870 HG2 GLU 109 HG2 GLU 109 220.074 20.184 -2.273 871 HG3 GLU 109 HG1 GLU 109 218.724 20.637 -3.312 872 H ALA 110 HN ALA 110 216.902 23.071 -0.129 873 HA ALA 110 HA ALA 110 215.547 20.599 0.329 874 HB1 ALA 110 HB1 ALA 110 213.903 21.856 1.230 875 HB2 ALA 110 HB2 ALA 110 213.931 23.029 -0.086 876 HB3 ALA 110 HB3 ALA 110 215.138 23.113 1.196 877 H GLY 111 HN GLY 111 213.610 19.885 -0.805 878 HA2 GLY 111 HA2 GLY 111 212.347 19.443 -2.678 879 HA3 GLY 111 HA1 GLY 111 213.008 20.896 -3.415 880 H ALA 112 HN ALA 112 215.383 18.767 -2.219 881 HA ALA 112 HA ALA 112 216.315 18.225 -4.875 882 HB1 ALA 112 HB1 ALA 112 218.287 17.674 -3.908 883 HB2 ALA 112 HB2 ALA 112 217.519 16.802 -2.581 884 HB3 ALA 112 HB3 ALA 112 217.595 18.564 -2.552 885 H HIS 113 HN HIS 113 216.132 16.419 -6.042 886 HA HIS 113 HA HIS 113 214.150 14.527 -5.474 887 HB2 HIS 113 HB2 HIS 113 216.120 14.989 -7.581 888 HB3 HIS 113 HB1 HIS 113 215.797 13.279 -7.316 889 HD1 HIS 113 HD1 HIS 113 214.870 15.356 -9.723 890 HD2 HIS 113 HD2 HIS 113 212.547 13.506 -6.817 891 HE1 HIS 113 HE1 HIS 113 212.537 15.307 -10.658 892 HE2 HIS 113 HE2 HIS 113 211.133 14.265 -8.845 893 H ILE 114 HN ILE 114 214.548 12.129 -5.435 894 HA ILE 114 HA ILE 114 216.942 11.386 -3.938 895 HB ILE 114 HB ILE 114 215.226 9.886 -2.593 896 HG12 ILE 114 HG12 ILE 114 213.625 12.268 -3.488 897 HG13 ILE 114 HG11 ILE 114 213.167 10.569 -3.497 898 HG21 ILE 114 HG21 ILE 114 216.024 11.053 -0.868 899 HG22 ILE 114 HG22 ILE 114 215.229 12.534 -1.405 900 HG23 ILE 114 HG23 ILE 114 216.800 12.088 -2.065 901 HD11 ILE 114 HD11 ILE 114 213.361 12.423 -1.148 902 HD12 ILE 114 HD12 ILE 114 213.216 10.673 -0.982 903 HD13 ILE 114 HD13 ILE 114 211.936 11.593 -1.774 904 H CYS 115 HN CYS 115 217.239 9.006 -3.818 905 HA CYS 115 HA CYS 115 215.717 7.375 -5.607 906 HB2 CYS 115 HB2 CYS 115 217.800 6.758 -6.929 907 HB3 CYS 115 HB1 CYS 115 217.087 8.325 -7.295 908 HG CYS 115 HG CYS 115 219.070 9.197 -5.540 909 H ALA 116 HN ALA 116 216.894 5.116 -5.732 910 HA ALA 116 HA ALA 116 217.710 4.511 -2.989 911 HB1 ALA 116 HB1 ALA 116 217.410 2.266 -4.831 912 HB2 ALA 116 HB2 ALA 116 215.957 3.244 -4.663 913 HB3 ALA 116 HB3 ALA 116 216.703 2.526 -3.236 914 H TRP 117 HN TRP 117 219.753 4.000 -2.502 915 HA TRP 117 HA TRP 117 221.535 3.215 -4.693 916 HB2 TRP 117 HB2 TRP 117 221.893 5.590 -4.376 917 HB3 TRP 117 HB1 TRP 117 222.169 5.351 -2.657 918 HD1 TRP 117 HD1 TRP 117 224.625 5.088 -1.960 919 HE1 TRP 117 HE1 TRP 117 226.841 4.629 -3.185 920 HE3 TRP 117 HE3 TRP 117 222.792 4.198 -6.649 921 HZ2 TRP 117 HZ2 TRP 117 227.699 3.975 -5.794 922 HZ3 TRP 117 HZ3 TRP 117 224.377 3.663 -8.453 923 HH2 TRP 117 HH2 TRP 117 226.780 3.555 -8.033 924 H LYS 118 HN LYS 118 223.568 2.337 -3.990 925 HA LYS 118 HA LYS 118 223.240 0.243 -2.146 926 HB2 LYS 118 HB2 LYS 118 225.083 0.890 -4.106 927 HB3 LYS 118 HB1 LYS 118 226.030 0.968 -2.627 928 HG2 LYS 118 HG2 LYS 118 224.331 -1.388 -3.412 929 HG3 LYS 118 HG1 LYS 118 226.054 -1.246 -3.762 930 HD2 LYS 118 HD2 LYS 118 225.382 -0.726 -0.965 931 HD3 LYS 118 HD1 LYS 118 224.967 -2.356 -1.499 932 HE2 LYS 118 HE2 LYS 118 227.289 -2.565 -2.398 933 HE3 LYS 118 HE1 LYS 118 227.662 -1.014 -1.646 934 HZ1 LYS 118 HZ1 LYS 118 228.343 -2.509 -0.058 935 HZ2 LYS 118 HZ2 LYS 118 227.092 -3.603 -0.371 936 HZ3 LYS 118 HZ3 LYS 118 226.771 -2.172 0.472 937 H GLN 119 HN GLN 119 223.224 0.310 -0.001 938 HA GLN 119 HA GLN 119 223.830 2.574 1.521 939 HB2 GLN 119 HB2 GLN 119 222.357 0.761 2.293 940 HB3 GLN 119 HB1 GLN 119 223.742 -0.315 2.410 941 HG2 GLN 119 HG2 GLN 119 224.283 0.452 4.419 942 HG3 GLN 119 HG1 GLN 119 224.165 2.130 3.892 943 HE21 GLN 119 HE21 GLN 119 221.935 -0.586 4.420 944 HE22 GLN 119 HE22 GLN 119 220.784 0.316 5.340 945 H HIS 120 HN HIS 120 225.666 3.407 2.254 946 HA HIS 120 HA HIS 120 228.032 1.682 2.466 947 HB2 HIS 120 HB2 HIS 120 229.367 3.699 1.612 948 HB3 HIS 120 HB1 HIS 120 228.462 2.768 0.424 949 HD1 HIS 120 HD1 HIS 120 228.214 6.003 2.377 950 HD2 HIS 120 HD2 HIS 120 226.667 4.216 -1.041 951 HE1 HIS 120 HE1 HIS 120 226.893 7.802 1.217 952 HE2 HIS 120 HE2 HIS 120 226.040 6.721 -0.893 953 H GLY 121 HN GLY 121 225.968 3.308 4.218 954 HA2 GLY 121 HA2 GLY 121 226.124 4.052 6.400 955 HA3 GLY 121 HA1 GLY 121 227.867 3.859 6.303 956 H GLY 122 HN GLY 122 226.772 5.701 3.715 957 HA2 GLY 122 HA2 GLY 122 228.109 8.026 4.561 958 HA3 GLY 122 HA1 GLY 122 227.001 7.926 3.201 959 HA PRO 123 HA PRO 123 225.218 10.231 7.047 960 HB2 PRO 123 HB2 PRO 123 225.635 12.801 6.220 961 HB3 PRO 123 HB1 PRO 123 226.740 11.926 7.286 962 HG2 PRO 123 HG2 PRO 123 226.914 12.375 4.331 963 HG3 PRO 123 HG1 PRO 123 228.194 12.468 5.555 964 HD2 PRO 123 HD2 PRO 123 227.903 10.319 3.959 965 HD3 PRO 123 HD1 PRO 123 228.452 10.171 5.642 966 H ASN 124 HN ASN 124 225.176 10.752 3.578 967 HA ASN 124 HA ASN 124 222.647 12.080 3.521 968 HB2 ASN 124 HB2 ASN 124 222.786 11.798 1.094 969 HB3 ASN 124 HB1 ASN 124 224.315 12.385 1.742 970 HD21 ASN 124 HD21 ASN 124 223.810 11.004 -0.748 971 HD22 ASN 124 HD22 ASN 124 224.765 9.565 -0.712 972 H GLN 125 HN GLN 125 223.409 8.926 4.225 973 HA GLN 125 HA GLN 125 220.919 7.892 3.051 974 HB2 GLN 125 HB2 GLN 125 222.821 6.006 4.314 975 HB3 GLN 125 HB1 GLN 125 221.872 5.833 2.846 976 HG2 GLN 125 HG2 GLN 125 223.662 7.757 2.124 977 HG3 GLN 125 HG1 GLN 125 224.617 6.762 3.220 978 HE21 GLN 125 HE21 GLN 125 222.723 6.770 0.277 979 HE22 GLN 125 HE22 GLN 125 223.406 5.333 -0.395 980 H LYS 126 HN LYS 126 221.518 9.443 5.678 981 HA LYS 126 HA LYS 126 220.336 7.497 7.539 982 HB2 LYS 126 HB2 LYS 126 221.512 10.152 8.325 983 HB3 LYS 126 HB1 LYS 126 221.245 8.734 9.330 984 HG2 LYS 126 HG2 LYS 126 223.186 8.724 7.042 985 HG3 LYS 126 HG1 LYS 126 223.637 9.259 8.662 986 HD2 LYS 126 HD2 LYS 126 222.553 6.962 9.359 987 HD3 LYS 126 HD1 LYS 126 222.917 6.536 7.686 988 HE2 LYS 126 HE2 LYS 126 225.173 6.610 8.012 989 HE3 LYS 126 HE1 LYS 126 225.060 7.836 9.275 990 HZ1 LYS 126 HZ1 LYS 126 225.751 5.621 10.086 991 HZ2 LYS 126 HZ2 LYS 126 224.244 5.004 9.629 992 HZ3 LYS 126 HZ3 LYS 126 224.341 6.191 10.829 993 H PHE 127 HN PHE 127 218.350 7.798 8.388 994 HA PHE 127 HA PHE 127 217.039 10.398 8.056 995 HB2 PHE 127 HB2 PHE 127 215.544 7.846 7.512 996 HB3 PHE 127 HB1 PHE 127 215.088 9.493 7.097 997 HD1 PHE 127 HD1 PHE 127 217.242 6.656 6.207 998 HD2 PHE 127 HD2 PHE 127 215.869 10.526 5.093 999 HE1 PHE 127 HE1 PHE 127 218.184 6.337 3.958 1000 HE2 PHE 127 HE2 PHE 127 216.809 10.215 2.840 1001 HZ PHE 127 HZ PHE 127 217.966 8.117 2.271 1002 H ILE 128 HN ILE 128 215.252 10.733 9.513 1003 HA ILE 128 HA ILE 128 215.411 8.996 11.885 1004 HB ILE 128 HB ILE 128 214.319 11.743 12.115 1005 HG12 ILE 128 HG12 ILE 128 217.289 11.164 12.015 1006 HG13 ILE 128 HG11 ILE 128 216.389 12.028 10.773 1007 HG21 ILE 128 HG21 ILE 128 214.247 10.839 14.176 1008 HG22 ILE 128 HG22 ILE 128 215.934 11.351 14.234 1009 HG23 ILE 128 HG23 ILE 128 215.533 9.683 13.827 1010 HD11 ILE 128 HD11 ILE 128 217.740 13.253 12.712 1011 HD12 ILE 128 HD12 ILE 128 216.185 13.076 13.526 1012 HD13 ILE 128 HD13 ILE 128 216.282 13.929 11.985 1013 H ILE 129 HN ILE 129 213.594 8.235 12.765 1014 HA ILE 129 HA ILE 129 211.087 8.774 11.327 1015 HB ILE 129 HB ILE 129 211.750 6.278 12.882 1016 HG12 ILE 129 HG12 ILE 129 213.304 6.379 11.048 1017 HG13 ILE 129 HG11 ILE 129 212.044 5.226 10.624 1018 HG21 ILE 129 HG21 ILE 129 209.697 6.533 10.732 1019 HG22 ILE 129 HG22 ILE 129 209.339 7.061 12.377 1020 HG23 ILE 129 HG23 ILE 129 209.787 5.384 12.067 1021 HD11 ILE 129 HD11 ILE 129 212.506 7.979 9.549 1022 HD12 ILE 129 HD12 ILE 129 210.945 7.175 9.385 1023 HD13 ILE 129 HD13 ILE 129 212.389 6.450 8.679 1024 H GLU 130 HN GLU 130 209.249 9.247 12.440 1025 HA GLU 130 HA GLU 130 209.335 9.192 15.370 1026 HB2 GLU 130 HB2 GLU 130 208.998 11.567 13.614 1027 HB3 GLU 130 HB1 GLU 130 207.980 11.478 15.045 1028 HG2 GLU 130 HG2 GLU 130 210.424 10.867 16.072 1029 HG3 GLU 130 HG1 GLU 130 210.842 12.013 14.798 1030 H SER 131 HN SER 131 207.883 7.519 15.490 1031 HA SER 131 HA SER 131 205.617 7.098 13.972 1032 HB2 SER 131 HB2 SER 131 204.750 5.946 16.141 1033 HB3 SER 131 HB1 SER 131 206.205 5.320 15.366 1034 HG SER 131 HG SER 131 207.052 5.606 17.269 1035 H GLU 132 HN GLU 132 204.038 8.490 13.574 1036 HA GLU 132 HA GLU 132 203.355 10.716 15.100 1037 HB2 GLU 132 HB2 GLU 132 202.724 10.077 12.662 1038 HB3 GLU 132 HB1 GLU 132 201.331 9.296 13.398 1039 HG2 GLU 132 HG2 GLU 132 200.798 11.539 12.622 1040 HG3 GLU 132 HG1 GLU 132 200.632 11.404 14.372 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 192.529 -5.072 12.346 2 H2 MET 1 HT2 MET 1 192.464 -4.069 10.954 3 H3 MET 1 HT3 MET 1 191.594 -3.635 12.369 4 HA MET 1 HA MET 1 193.492 -3.136 13.538 5 HB2 MET 1 HB2 MET 1 195.724 -3.684 12.719 6 HB3 MET 1 HB1 MET 1 194.736 -5.136 12.814 7 HG2 MET 1 HG2 MET 1 194.835 -5.502 10.611 8 HG3 MET 1 HG1 MET 1 194.662 -3.794 10.215 9 HE1 MET 1 HE1 MET 1 197.127 -6.203 12.023 10 HE2 MET 1 HE2 MET 1 198.575 -6.055 11.028 11 HE3 MET 1 HE3 MET 1 197.116 -6.786 10.358 12 H LYS 2 HN LYS 2 194.552 -1.152 13.372 13 HA LYS 2 HA LYS 2 193.891 0.363 10.949 14 HB2 LYS 2 HB2 LYS 2 194.621 1.309 13.726 15 HB3 LYS 2 HB1 LYS 2 194.262 2.367 12.369 16 HG2 LYS 2 HG2 LYS 2 192.233 2.344 13.393 17 HG3 LYS 2 HG1 LYS 2 192.031 0.969 12.305 18 HD2 LYS 2 HD2 LYS 2 191.418 -0.128 14.170 19 HD3 LYS 2 HD1 LYS 2 193.154 -0.230 14.470 20 HE2 LYS 2 HE2 LYS 2 192.224 0.574 16.475 21 HE3 LYS 2 HE1 LYS 2 192.923 1.987 15.686 22 HZ1 LYS 2 HZ1 LYS 2 190.893 2.808 16.228 23 HZ2 LYS 2 HZ2 LYS 2 190.116 1.309 16.139 24 HZ3 LYS 2 HZ3 LYS 2 190.494 2.150 14.721 25 HA PRO 3 HA PRO 3 198.175 0.575 9.860 26 HB2 PRO 3 HB2 PRO 3 198.127 2.666 8.163 27 HB3 PRO 3 HB1 PRO 3 197.399 1.108 7.753 28 HG2 PRO 3 HG2 PRO 3 196.086 3.610 8.744 29 HG3 PRO 3 HG1 PRO 3 195.563 2.506 7.458 30 HD2 PRO 3 HD2 PRO 3 194.538 2.455 9.984 31 HD3 PRO 3 HD1 PRO 3 194.631 1.022 8.942 32 H LYS 4 HN LYS 4 199.927 1.425 10.798 33 HA LYS 4 HA LYS 4 199.624 3.891 12.345 34 HB2 LYS 4 HB2 LYS 4 200.705 1.515 13.059 35 HB3 LYS 4 HB1 LYS 4 202.147 2.354 12.504 36 HG2 LYS 4 HG2 LYS 4 201.583 4.218 14.048 37 HG3 LYS 4 HG1 LYS 4 200.255 3.237 14.671 38 HD2 LYS 4 HD2 LYS 4 201.938 1.466 15.223 39 HD3 LYS 4 HD1 LYS 4 203.203 2.614 14.782 40 HE2 LYS 4 HE2 LYS 4 201.499 3.977 16.547 41 HE3 LYS 4 HE1 LYS 4 201.734 2.373 17.240 42 HZ1 LYS 4 HZ1 LYS 4 204.052 3.900 16.262 43 HZ2 LYS 4 HZ2 LYS 4 203.989 2.697 17.449 44 HZ3 LYS 4 HZ3 LYS 4 203.399 4.246 17.785 45 H PHE 5 HN PHE 5 200.272 5.735 11.452 46 HA PHE 5 HA PHE 5 202.165 5.682 9.243 47 HB2 PHE 5 HB2 PHE 5 201.591 8.247 9.312 48 HB3 PHE 5 HB1 PHE 5 200.443 7.095 8.643 49 HD1 PHE 5 HD1 PHE 5 198.437 6.464 9.912 50 HD2 PHE 5 HD2 PHE 5 201.123 9.451 11.317 51 HE1 PHE 5 HE1 PHE 5 196.720 7.263 11.481 52 HE2 PHE 5 HE2 PHE 5 199.410 10.255 12.890 53 HZ PHE 5 HZ PHE 5 197.205 9.161 12.973 54 H PHE 6 HN PHE 6 203.704 7.726 9.222 55 HA PHE 6 HA PHE 6 204.701 8.474 11.827 56 HB2 PHE 6 HB2 PHE 6 207.005 7.355 10.534 57 HB3 PHE 6 HB1 PHE 6 206.373 7.042 12.138 58 HD1 PHE 6 HD2 PHE 6 204.842 5.150 12.512 59 HD2 PHE 6 HD1 PHE 6 206.641 5.868 8.724 60 HE1 PHE 6 HE2 PHE 6 204.293 2.855 11.820 61 HE2 PHE 6 HE1 PHE 6 206.099 3.575 8.025 62 HZ PHE 6 HZ PHE 6 204.922 2.062 9.575 63 H TYR 7 HN TYR 7 206.970 9.533 11.528 64 HA TYR 7 HA TYR 7 206.776 11.231 9.143 65 HB2 TYR 7 HB2 TYR 7 207.182 11.836 11.975 66 HB3 TYR 7 HB1 TYR 7 208.376 12.604 10.935 67 HD1 TYR 7 HD2 TYR 7 207.280 13.730 8.750 68 HD2 TYR 7 HD1 TYR 7 205.277 13.032 12.438 69 HE1 TYR 7 HE2 TYR 7 205.666 15.503 8.203 70 HE2 TYR 7 HE1 TYR 7 203.658 14.802 11.901 71 HH TYR 7 HH TYR 7 202.782 15.978 9.993 72 H ILE 8 HN ILE 8 208.385 11.081 7.717 73 HA ILE 8 HA ILE 8 210.875 9.786 8.588 74 HB ILE 8 HB ILE 8 210.851 10.085 5.753 75 HG12 ILE 8 HG12 ILE 8 208.375 10.268 5.974 76 HG13 ILE 8 HG11 ILE 8 208.882 8.825 5.103 77 HG21 ILE 8 HG21 ILE 8 210.382 7.553 7.299 78 HG22 ILE 8 HG22 ILE 8 211.946 8.366 7.259 79 HG23 ILE 8 HG23 ILE 8 211.228 7.761 5.766 80 HD11 ILE 8 HD11 ILE 8 207.086 8.894 7.150 81 HD12 ILE 8 HD12 ILE 8 208.568 8.404 7.970 82 HD13 ILE 8 HD13 ILE 8 207.963 7.464 6.605 83 H LYS 9 HN LYS 9 212.352 11.196 9.149 84 HA LYS 9 HA LYS 9 212.503 13.783 7.784 85 HB2 LYS 9 HB2 LYS 9 212.271 13.681 10.263 86 HB3 LYS 9 HB1 LYS 9 213.835 12.884 10.338 87 HG2 LYS 9 HG2 LYS 9 213.499 15.559 9.049 88 HG3 LYS 9 HG1 LYS 9 213.741 15.383 10.786 89 HD2 LYS 9 HD2 LYS 9 215.711 13.789 9.726 90 HD3 LYS 9 HD1 LYS 9 215.644 15.140 8.594 91 HE2 LYS 9 HE2 LYS 9 216.111 15.247 11.565 92 HE3 LYS 9 HE1 LYS 9 217.232 15.696 10.282 93 HZ1 LYS 9 HZ1 LYS 9 216.474 17.752 10.585 94 HZ2 LYS 9 HZ2 LYS 9 215.150 17.238 11.502 95 HZ3 LYS 9 HZ3 LYS 9 215.052 17.255 9.814 96 H SER 10 HN SER 10 214.164 14.336 6.507 97 HA SER 10 HA SER 10 216.227 12.411 5.942 98 HB2 SER 10 HB2 SER 10 217.026 14.621 4.588 99 HB3 SER 10 HB1 SER 10 215.811 13.500 3.976 100 HG SER 10 HG SER 10 215.518 16.071 4.982 101 H GLU 11 HN GLU 11 217.692 12.171 7.503 102 HA GLU 11 HA GLU 11 218.534 14.167 9.289 103 HB2 GLU 11 HB2 GLU 11 218.684 11.805 9.853 104 HB3 GLU 11 HB1 GLU 11 219.851 11.548 8.565 105 HG2 GLU 11 HG2 GLU 11 221.557 12.285 9.794 106 HG3 GLU 11 HG1 GLU 11 220.627 13.629 10.455 107 H LEU 12 HN LEU 12 219.289 13.796 6.055 108 HA LEU 12 HA LEU 12 222.016 14.736 6.258 109 HB2 LEU 12 HB2 LEU 12 221.249 13.214 4.441 110 HB3 LEU 12 HB1 LEU 12 220.244 14.510 3.823 111 HG LEU 12 HG LEU 12 222.306 15.871 3.471 112 HD11 LEU 12 HD11 LEU 12 223.513 13.473 4.695 113 HD12 LEU 12 HD12 LEU 12 224.031 15.158 4.741 114 HD13 LEU 12 HD13 LEU 12 224.369 14.170 3.320 115 HD21 LEU 12 HD21 LEU 12 223.197 14.137 1.654 116 HD22 LEU 12 HD22 LEU 12 221.672 15.004 1.473 117 HD23 LEU 12 HD23 LEU 12 221.677 13.343 2.065 118 H ASN 13 HN ASN 13 219.106 16.039 4.636 119 HA ASN 13 HA ASN 13 220.178 18.712 4.684 120 HB2 ASN 13 HB2 ASN 13 217.379 17.919 3.903 121 HB3 ASN 13 HB1 ASN 13 218.313 19.295 3.343 122 HD21 ASN 13 HD21 ASN 13 217.864 15.852 3.118 123 HD22 ASN 13 HD22 ASN 13 218.725 15.635 1.638 124 H GLY 14 HN GLY 14 218.475 16.840 6.904 125 HA2 GLY 14 HA2 GLY 14 217.563 17.443 8.946 126 HA3 GLY 14 HA1 GLY 14 217.921 19.124 8.564 127 H LYS 15 HN LYS 15 216.325 17.782 5.992 128 HA LYS 15 HA LYS 15 213.817 19.071 6.713 129 HB2 LYS 15 HB2 LYS 15 214.654 17.872 4.068 130 HB3 LYS 15 HB1 LYS 15 213.341 18.994 4.351 131 HG2 LYS 15 HG2 LYS 15 216.285 19.559 4.531 132 HG3 LYS 15 HG1 LYS 15 215.144 20.179 3.338 133 HD2 LYS 15 HD2 LYS 15 214.834 20.722 6.278 134 HD3 LYS 15 HD1 LYS 15 215.824 21.745 5.236 135 HE2 LYS 15 HE2 LYS 15 213.149 21.174 4.183 136 HE3 LYS 15 HE1 LYS 15 213.155 22.084 5.693 137 HZ1 LYS 15 HZ1 LYS 15 214.065 23.880 4.712 138 HZ2 LYS 15 HZ2 LYS 15 213.374 23.224 3.315 139 HZ3 LYS 15 HZ3 LYS 15 215.015 22.977 3.642 140 H VAL 16 HN VAL 16 212.058 17.654 5.101 141 HA VAL 16 HA VAL 16 212.167 14.908 6.138 142 HB VAL 16 HB VAL 16 209.650 15.061 6.377 143 HG11 VAL 16 HG11 VAL 16 211.653 16.341 8.151 144 HG12 VAL 16 HG12 VAL 16 210.636 14.927 8.425 145 HG13 VAL 16 HG13 VAL 16 209.948 16.546 8.552 146 HG21 VAL 16 HG21 VAL 16 209.668 17.300 5.066 147 HG22 VAL 16 HG22 VAL 16 210.022 18.014 6.640 148 HG23 VAL 16 HG23 VAL 16 208.540 17.088 6.405 149 H LEU 17 HN LEU 17 211.321 13.335 4.776 150 HA LEU 17 HA LEU 17 211.295 13.979 2.000 151 HB2 LEU 17 HB2 LEU 17 210.175 11.409 3.054 152 HB3 LEU 17 HB1 LEU 17 211.112 11.695 1.601 153 HG LEU 17 HG LEU 17 212.141 11.595 4.434 154 HD11 LEU 17 HD11 LEU 17 213.620 9.847 3.056 155 HD12 LEU 17 HD12 LEU 17 212.127 9.755 2.122 156 HD13 LEU 17 HD13 LEU 17 212.108 9.411 3.852 157 HD21 LEU 17 HD21 LEU 17 213.591 13.153 3.662 158 HD22 LEU 17 HD22 LEU 17 213.307 12.741 1.971 159 HD23 LEU 17 HD23 LEU 17 214.367 11.735 2.957 160 H ASP 18 HN ASP 18 209.590 14.344 0.634 161 HA ASP 18 HA ASP 18 206.879 13.851 1.589 162 HB2 ASP 18 HB2 ASP 18 207.600 16.202 2.224 163 HB3 ASP 18 HB1 ASP 18 207.678 16.551 0.498 164 H ILE 19 HN ILE 19 205.276 13.933 -0.088 165 HA ILE 19 HA ILE 19 206.412 13.285 -2.709 166 HB ILE 19 HB ILE 19 203.556 12.899 -1.822 167 HG12 ILE 19 HG12 ILE 19 205.891 10.977 -1.689 168 HG13 ILE 19 HG11 ILE 19 205.016 11.651 -0.319 169 HG21 ILE 19 HG21 ILE 19 204.151 10.987 -3.686 170 HG22 ILE 19 HG22 ILE 19 205.068 12.376 -4.266 171 HG23 ILE 19 HG23 ILE 19 203.328 12.511 -4.014 172 HD11 ILE 19 HD11 ILE 19 203.568 10.033 -2.365 173 HD12 ILE 19 HD12 ILE 19 203.181 10.303 -0.666 174 HD13 ILE 19 HD13 ILE 19 204.518 9.242 -1.108 175 H GLU 20 HN GLU 20 206.156 14.556 -4.428 176 HA GLU 20 HA GLU 20 205.542 17.196 -4.339 177 HB2 GLU 20 HB2 GLU 20 205.060 17.010 -6.827 178 HB3 GLU 20 HB1 GLU 20 206.613 16.397 -6.276 179 HG2 GLU 20 HG2 GLU 20 206.175 14.462 -7.235 180 HG3 GLU 20 HG1 GLU 20 204.794 14.248 -6.160 181 H GLY 21 HN GLY 21 203.774 18.030 -3.437 182 HA2 GLY 21 HA2 GLY 21 201.558 18.439 -2.964 183 HA3 GLY 21 HA1 GLY 21 201.396 18.365 -4.710 184 H GLN 22 HN GLN 22 202.312 15.574 -2.804 185 HA GLN 22 HA GLN 22 201.268 13.602 -2.364 186 HB2 GLN 22 HB2 GLN 22 199.400 15.536 -1.725 187 HB3 GLN 22 HB1 GLN 22 198.514 14.476 -2.812 188 HG2 GLN 22 HG2 GLN 22 199.406 12.570 -1.335 189 HG3 GLN 22 HG1 GLN 22 199.760 13.844 -0.169 190 HE21 GLN 22 HE21 GLN 22 198.254 14.014 1.312 191 HE22 GLN 22 HE22 GLN 22 196.556 13.796 1.079 192 H ASN 23 HN ASN 23 198.971 15.064 -4.662 193 HA ASN 23 HA ASN 23 198.315 14.462 -6.755 194 HB2 ASN 23 HB2 ASN 23 200.868 14.355 -7.080 195 HB3 ASN 23 HB1 ASN 23 200.680 12.610 -6.942 196 HD21 ASN 23 HD21 ASN 23 201.522 12.546 -9.104 197 HD22 ASN 23 HD22 ASN 23 200.467 12.822 -10.444 198 HA PRO 24 HA PRO 24 196.184 10.819 -4.930 199 HB2 PRO 24 HB2 PRO 24 194.232 11.752 -6.974 200 HB3 PRO 24 HB1 PRO 24 193.965 11.297 -5.288 201 HG2 PRO 24 HG2 PRO 24 193.944 13.856 -6.020 202 HG3 PRO 24 HG1 PRO 24 194.672 13.354 -4.482 203 HD2 PRO 24 HD2 PRO 24 195.997 14.129 -7.045 204 HD3 PRO 24 HD1 PRO 24 196.495 14.456 -5.373 205 H ALA 25 HN ALA 25 197.055 11.672 -8.186 206 HA ALA 25 HA ALA 25 196.410 9.007 -9.185 207 HB1 ALA 25 HB1 ALA 25 197.603 11.311 -10.714 208 HB2 ALA 25 HB2 ALA 25 195.869 11.056 -10.515 209 HB3 ALA 25 HB3 ALA 25 196.844 9.861 -11.370 210 HA PRO 26 HA PRO 26 200.507 7.407 -8.831 211 HB2 PRO 26 HB2 PRO 26 200.255 6.172 -11.487 212 HB3 PRO 26 HB1 PRO 26 200.396 5.405 -9.906 213 HG2 PRO 26 HG2 PRO 26 198.100 5.367 -11.308 214 HG3 PRO 26 HG1 PRO 26 198.121 5.440 -9.536 215 HD2 PRO 26 HD2 PRO 26 197.656 7.634 -11.520 216 HD3 PRO 26 HD1 PRO 26 196.838 7.317 -9.975 217 H GLY 27 HN GLY 27 202.646 7.713 -9.558 218 HA2 GLY 27 HA2 GLY 27 204.196 8.328 -11.296 219 HA3 GLY 27 HA1 GLY 27 202.947 9.348 -11.988 220 H SER 28 HN SER 28 202.826 9.788 -8.688 221 HA SER 28 HA SER 28 203.932 12.403 -8.885 222 HB2 SER 28 HB2 SER 28 202.078 11.277 -7.270 223 HB3 SER 28 HB1 SER 28 203.476 11.251 -6.196 224 HG SER 28 HG SER 28 202.814 13.236 -5.841 225 H LYS 29 HN LYS 29 205.955 13.038 -8.583 226 HA LYS 29 HA LYS 29 207.993 11.160 -7.843 227 HB2 LYS 29 HB2 LYS 29 208.138 14.129 -8.398 228 HB3 LYS 29 HB1 LYS 29 209.523 13.067 -8.203 229 HG2 LYS 29 HG2 LYS 29 207.530 12.309 -10.250 230 HG3 LYS 29 HG1 LYS 29 208.534 13.722 -10.580 231 HD2 LYS 29 HD2 LYS 29 209.950 11.347 -9.553 232 HD3 LYS 29 HD1 LYS 29 209.260 11.191 -11.170 233 HE2 LYS 29 HE2 LYS 29 211.642 12.037 -11.041 234 HE3 LYS 29 HE1 LYS 29 210.518 13.007 -11.991 235 HZ1 LYS 29 HZ1 LYS 29 211.190 13.595 -9.163 236 HZ2 LYS 29 HZ2 LYS 29 210.349 14.583 -10.248 237 HZ3 LYS 29 HZ3 LYS 29 212.000 14.291 -10.475 238 H ILE 30 HN ILE 30 209.584 11.599 -6.131 239 HA ILE 30 HA ILE 30 208.337 12.978 -3.835 240 HB ILE 30 HB ILE 30 209.380 11.350 -2.339 241 HG12 ILE 30 HG12 ILE 30 210.147 9.853 -4.855 242 HG13 ILE 30 HG11 ILE 30 211.277 10.761 -3.855 243 HG21 ILE 30 HG21 ILE 30 207.079 11.054 -3.312 244 HG22 ILE 30 HG22 ILE 30 207.847 9.578 -2.726 245 HG23 ILE 30 HG23 ILE 30 207.792 9.916 -4.456 246 HD11 ILE 30 HD11 ILE 30 211.466 9.096 -2.397 247 HD12 ILE 30 HD12 ILE 30 210.661 8.098 -3.607 248 HD13 ILE 30 HD13 ILE 30 209.721 8.854 -2.321 249 H ILE 31 HN ILE 31 209.671 14.091 -2.387 250 HA ILE 31 HA ILE 31 212.519 14.274 -2.843 251 HB ILE 31 HB ILE 31 212.660 16.569 -3.391 252 HG12 ILE 31 HG12 ILE 31 210.578 17.151 -1.976 253 HG13 ILE 31 HG11 ILE 31 210.907 18.125 -3.401 254 HG21 ILE 31 HG21 ILE 31 211.642 16.674 -5.579 255 HG22 ILE 31 HG22 ILE 31 210.508 15.395 -5.142 256 HG23 ILE 31 HG23 ILE 31 212.230 15.041 -5.268 257 HD11 ILE 31 HD11 ILE 31 208.559 17.639 -3.244 258 HD12 ILE 31 HD12 ILE 31 208.891 15.908 -3.178 259 HD13 ILE 31 HD13 ILE 31 209.245 16.819 -4.646 260 H THR 32 HN THR 32 213.296 16.309 -1.412 261 HA THR 32 HA THR 32 212.057 15.818 1.211 262 HB THR 32 HB THR 32 214.083 16.264 2.226 263 HG1 THR 32 HG1 THR 32 215.717 17.502 1.263 264 HG21 THR 32 HG21 THR 32 214.506 14.277 1.024 265 HG22 THR 32 HG22 THR 32 215.938 15.293 0.851 266 HG23 THR 32 HG23 THR 32 214.783 15.161 -0.476 267 H TRP 33 HN TRP 33 211.480 17.530 2.601 268 HA TRP 33 HA TRP 33 211.714 20.265 1.722 269 HB2 TRP 33 HB2 TRP 33 209.737 19.235 0.453 270 HB3 TRP 33 HB1 TRP 33 208.921 19.164 2.011 271 HD1 TRP 33 HD1 TRP 33 207.312 21.117 2.274 272 HE1 TRP 33 HE1 TRP 33 207.276 23.598 1.590 273 HE3 TRP 33 HE3 TRP 33 211.797 21.351 -0.170 274 HZ2 TRP 33 HZ2 TRP 33 208.930 25.412 0.200 275 HZ3 TRP 33 HZ3 TRP 33 212.495 23.498 -1.149 276 HH2 TRP 33 HH2 TRP 33 211.089 25.486 -0.968 277 H ASP 34 HN ASP 34 210.343 21.712 3.284 278 HA ASP 34 HA ASP 34 211.183 21.086 5.927 279 HB2 ASP 34 HB2 ASP 34 209.223 23.237 5.115 280 HB3 ASP 34 HB1 ASP 34 210.231 23.199 6.558 281 H GLN 35 HN GLN 35 210.093 20.231 7.610 282 HA GLN 35 HA GLN 35 207.771 18.711 7.164 283 HB2 GLN 35 HB2 GLN 35 209.642 18.566 9.014 284 HB3 GLN 35 HB1 GLN 35 208.527 19.577 9.923 285 HG2 GLN 35 HG2 GLN 35 206.767 17.866 9.554 286 HG3 GLN 35 HG1 GLN 35 207.985 16.840 8.797 287 HE21 GLN 35 HE21 GLN 35 210.141 17.228 10.413 288 HE22 GLN 35 HE22 GLN 35 209.807 16.632 11.999 289 H LYS 36 HN LYS 36 205.645 19.066 7.525 290 HA LYS 36 HA LYS 36 204.862 21.822 8.138 291 HB2 LYS 36 HB2 LYS 36 203.290 19.559 6.892 292 HB3 LYS 36 HB1 LYS 36 202.672 21.181 7.171 293 HG2 LYS 36 HG2 LYS 36 205.102 20.664 5.489 294 HG3 LYS 36 HG1 LYS 36 203.466 20.633 4.828 295 HD2 LYS 36 HD2 LYS 36 204.387 22.983 6.433 296 HD3 LYS 36 HD1 LYS 36 204.860 22.834 4.740 297 HE2 LYS 36 HE2 LYS 36 202.115 22.278 4.814 298 HE3 LYS 36 HE1 LYS 36 202.348 23.667 5.874 299 HZ1 LYS 36 HZ1 LYS 36 202.208 24.786 3.946 300 HZ2 LYS 36 HZ2 LYS 36 202.659 23.460 2.997 301 HZ3 LYS 36 HZ3 LYS 36 203.842 24.374 3.789 302 H LYS 37 HN LYS 37 203.013 22.206 9.527 303 HA LYS 37 HA LYS 37 202.672 20.105 11.567 304 HB2 LYS 37 HB2 LYS 37 202.337 22.021 13.185 305 HB3 LYS 37 HB1 LYS 37 203.975 21.804 12.584 306 HG2 LYS 37 HG2 LYS 37 204.019 23.851 11.734 307 HG3 LYS 37 HG1 LYS 37 202.486 23.607 10.896 308 HD2 LYS 37 HD2 LYS 37 201.635 23.870 13.457 309 HD3 LYS 37 HD1 LYS 37 203.053 24.920 13.468 310 HE2 LYS 37 HE2 LYS 37 202.188 26.269 11.734 311 HE3 LYS 37 HE1 LYS 37 200.939 25.090 11.338 312 HZ1 LYS 37 HZ1 LYS 37 201.033 27.037 13.521 313 HZ2 LYS 37 HZ2 LYS 37 200.246 25.568 13.809 314 HZ3 LYS 37 HZ3 LYS 37 199.730 26.569 12.547 315 H GLY 38 HN GLY 38 200.698 19.279 11.233 316 HA2 GLY 38 HA2 GLY 38 198.359 19.636 11.851 317 HA3 GLY 38 HA1 GLY 38 198.457 21.192 11.044 318 HA PRO 39 HA PRO 39 196.431 18.820 7.804 319 HB2 PRO 39 HB2 PRO 39 196.544 21.352 6.310 320 HB3 PRO 39 HB1 PRO 39 195.139 20.400 6.797 321 HG2 PRO 39 HG2 PRO 39 195.722 22.761 7.945 322 HG3 PRO 39 HG1 PRO 39 194.989 21.427 8.855 323 HD2 PRO 39 HD2 PRO 39 197.839 22.343 8.799 324 HD3 PRO 39 HD1 PRO 39 196.853 21.807 10.176 325 H THR 40 HN THR 40 196.815 18.492 5.455 326 HA THR 40 HA THR 40 198.245 17.655 3.895 327 HB THR 40 HB THR 40 199.873 19.591 3.120 328 HG1 THR 40 HG1 THR 40 199.738 21.125 4.575 329 HG21 THR 40 HG21 THR 40 198.119 20.606 1.834 330 HG22 THR 40 HG22 THR 40 196.893 19.929 2.906 331 HG23 THR 40 HG23 THR 40 197.866 18.862 1.894 332 H ALA 41 HN ALA 41 199.224 17.353 6.747 333 HA ALA 41 HA ALA 41 202.106 17.493 6.409 334 HB1 ALA 41 HB1 ALA 41 202.196 17.497 8.638 335 HB2 ALA 41 HB2 ALA 41 201.177 16.063 8.761 336 HB3 ALA 41 HB3 ALA 41 200.442 17.657 8.606 337 H VAL 42 HN VAL 42 199.518 15.210 6.173 338 HA VAL 42 HA VAL 42 200.726 12.741 6.539 339 HB VAL 42 HB VAL 42 198.600 13.647 4.595 340 HG11 VAL 42 HG11 VAL 42 199.069 11.797 3.407 341 HG12 VAL 42 HG12 VAL 42 198.218 10.974 4.714 342 HG13 VAL 42 HG13 VAL 42 199.980 11.054 4.721 343 HG21 VAL 42 HG21 VAL 42 197.204 13.356 6.295 344 HG22 VAL 42 HG22 VAL 42 198.601 13.091 7.338 345 HG23 VAL 42 HG23 VAL 42 197.802 11.720 6.571 346 H ASN 43 HN ASN 43 201.200 15.048 3.974 347 HA ASN 43 HA ASN 43 202.212 13.353 1.992 348 HB2 ASN 43 HB2 ASN 43 202.822 16.254 2.576 349 HB3 ASN 43 HB1 ASN 43 203.329 15.412 1.114 350 HD21 ASN 43 HD21 ASN 43 202.154 16.565 -0.326 351 HD22 ASN 43 HD22 ASN 43 200.427 16.575 -0.373 352 H GLN 44 HN GLN 44 203.515 14.062 5.024 353 HA GLN 44 HA GLN 44 206.189 13.223 4.123 354 HB2 GLN 44 HB2 GLN 44 205.312 15.225 6.165 355 HB3 GLN 44 HB1 GLN 44 206.811 14.350 6.422 356 HG2 GLN 44 HG2 GLN 44 207.910 15.568 4.920 357 HG3 GLN 44 HG1 GLN 44 206.609 15.430 3.738 358 HE21 GLN 44 HE21 GLN 44 207.862 17.743 3.758 359 HE22 GLN 44 HE22 GLN 44 206.923 18.982 4.512 360 H LEU 45 HN LEU 45 203.528 12.027 5.358 361 HA LEU 45 HA LEU 45 204.899 10.424 7.394 362 HB2 LEU 45 HB2 LEU 45 202.004 11.149 7.153 363 HB3 LEU 45 HB1 LEU 45 202.612 10.005 8.283 364 HG LEU 45 HG LEU 45 204.151 12.300 8.698 365 HD11 LEU 45 HD11 LEU 45 202.223 13.325 7.352 366 HD12 LEU 45 HD12 LEU 45 202.697 14.094 8.863 367 HD13 LEU 45 HD13 LEU 45 201.264 13.066 8.804 368 HD21 LEU 45 HD21 LEU 45 202.449 12.329 10.757 369 HD22 LEU 45 HD22 LEU 45 203.746 11.144 10.603 370 HD23 LEU 45 HD23 LEU 45 202.101 10.720 10.126 371 H TRP 46 HN TRP 46 204.810 8.252 7.313 372 HA TRP 46 HA TRP 46 203.228 7.016 5.178 373 HB2 TRP 46 HB2 TRP 46 206.124 6.468 5.819 374 HB3 TRP 46 HB1 TRP 46 205.148 5.587 4.655 375 HD1 TRP 46 HD1 TRP 46 206.058 9.328 5.224 376 HE1 TRP 46 HE1 TRP 46 206.568 10.370 2.923 377 HE3 TRP 46 HE3 TRP 46 205.202 5.243 2.268 378 HZ2 TRP 46 HZ2 TRP 46 206.596 9.568 0.215 379 HZ3 TRP 46 HZ3 TRP 46 205.484 5.466 -0.162 380 HH2 TRP 46 HH2 TRP 46 206.168 7.584 -1.169 381 H TYR 47 HN TYR 47 203.187 4.587 5.446 382 HA TYR 47 HA TYR 47 203.491 3.753 8.217 383 HB2 TYR 47 HB2 TYR 47 201.249 2.725 8.265 384 HB3 TYR 47 HB1 TYR 47 201.187 4.474 8.130 385 HD1 TYR 47 HD1 TYR 47 200.884 1.347 6.140 386 HD2 TYR 47 HD2 TYR 47 199.979 5.492 6.428 387 HE1 TYR 47 HE1 TYR 47 199.360 1.144 4.220 388 HE2 TYR 47 HE2 TYR 47 198.454 5.303 4.509 389 HH TYR 47 HH TYR 47 198.145 3.803 2.546 390 H THR 48 HN THR 48 203.239 1.325 8.429 391 HA THR 48 HA THR 48 204.382 0.077 6.027 392 HB THR 48 HB THR 48 204.930 -1.724 7.935 393 HG1 THR 48 HG1 THR 48 203.875 -0.325 9.510 394 HG21 THR 48 HG21 THR 48 207.108 -0.663 8.280 395 HG22 THR 48 HG22 THR 48 206.507 0.801 7.500 396 HG23 THR 48 HG23 THR 48 206.643 -0.698 6.579 397 H ASP 49 HN ASP 49 203.422 -1.602 5.051 398 HA ASP 49 HA ASP 49 200.744 -2.269 5.842 399 HB2 ASP 49 HB2 ASP 49 201.502 -2.051 3.458 400 HB3 ASP 49 HB1 ASP 49 202.410 -3.545 3.663 401 H GLN 50 HN GLN 50 200.030 -4.591 5.914 402 HA GLN 50 HA GLN 50 201.234 -5.912 8.063 403 HB2 GLN 50 HB2 GLN 50 198.883 -6.178 6.592 404 HB3 GLN 50 HB1 GLN 50 199.712 -7.711 6.361 405 HG2 GLN 50 HG2 GLN 50 200.009 -7.418 9.015 406 HG3 GLN 50 HG1 GLN 50 198.487 -6.561 8.776 407 HE21 GLN 50 HE21 GLN 50 197.270 -7.963 6.831 408 HE22 GLN 50 HE22 GLN 50 196.960 -9.582 7.346 409 H GLN 51 HN GLN 51 201.912 -6.040 4.675 410 HA GLN 51 HA GLN 51 203.474 -8.492 4.950 411 HB2 GLN 51 HB2 GLN 51 201.944 -8.007 2.965 412 HB3 GLN 51 HB1 GLN 51 203.154 -6.839 2.452 413 HG2 GLN 51 HG2 GLN 51 204.828 -8.704 2.485 414 HG3 GLN 51 HG1 GLN 51 203.482 -9.812 2.747 415 HE21 GLN 51 HE21 GLN 51 205.148 -10.037 0.565 416 HE22 GLN 51 HE22 GLN 51 204.267 -9.654 -0.870 417 H GLY 52 HN GLY 52 203.977 -5.266 5.481 418 HA2 GLY 52 HA2 GLY 52 206.095 -4.450 6.191 419 HA3 GLY 52 HA1 GLY 52 206.868 -5.614 5.128 420 H VAL 53 HN VAL 53 204.308 -4.122 3.534 421 HA VAL 53 HA VAL 53 206.173 -2.493 2.001 422 HB VAL 53 HB VAL 53 203.251 -3.001 1.436 423 HG11 VAL 53 HG11 VAL 53 203.534 -1.645 -0.292 424 HG12 VAL 53 HG12 VAL 53 204.864 -2.641 -0.882 425 HG13 VAL 53 HG13 VAL 53 205.183 -1.318 0.241 426 HG21 VAL 53 HG21 VAL 53 203.937 -4.789 -0.046 427 HG22 VAL 53 HG22 VAL 53 204.500 -5.122 1.592 428 HG23 VAL 53 HG23 VAL 53 205.629 -4.525 0.375 429 H ILE 54 HN ILE 54 206.395 -0.401 2.467 430 HA ILE 54 HA ILE 54 204.579 0.921 4.226 431 HB ILE 54 HB ILE 54 206.023 2.980 3.561 432 HG12 ILE 54 HG12 ILE 54 208.234 1.131 3.017 433 HG13 ILE 54 HG11 ILE 54 207.051 1.232 1.717 434 HG21 ILE 54 HG21 ILE 54 207.175 0.667 5.102 435 HG22 ILE 54 HG22 ILE 54 206.068 1.890 5.727 436 HG23 ILE 54 HG23 ILE 54 207.694 2.348 5.221 437 HD11 ILE 54 HD11 ILE 54 209.168 2.915 2.092 438 HD12 ILE 54 HD12 ILE 54 207.822 3.830 2.772 439 HD13 ILE 54 HD13 ILE 54 207.745 3.253 1.107 440 H ARG 55 HN ARG 55 203.292 2.673 3.838 441 HA ARG 55 HA ARG 55 202.892 3.641 1.137 442 HB2 ARG 55 HB2 ARG 55 200.452 2.660 2.576 443 HB3 ARG 55 HB1 ARG 55 200.656 3.017 0.874 444 HG2 ARG 55 HG2 ARG 55 202.056 0.719 2.198 445 HG3 ARG 55 HG1 ARG 55 200.430 0.582 1.530 446 HD2 ARG 55 HD2 ARG 55 202.490 1.788 -0.216 447 HD3 ARG 55 HD1 ARG 55 202.642 0.063 0.114 448 HE ARG 55 HE ARG 55 200.709 1.324 -1.561 449 HH11 ARG 55 HH11 ARG 55 201.225 -1.399 0.559 450 HH12 ARG 55 HH12 ARG 55 200.029 -2.386 -0.212 451 HH21 ARG 55 HH21 ARG 55 199.136 0.028 -2.576 452 HH22 ARG 55 HH22 ARG 55 198.844 -1.576 -1.993 453 H SER 56 HN SER 56 202.271 5.739 1.136 454 HA SER 56 HA SER 56 202.489 7.268 3.445 455 HB2 SER 56 HB2 SER 56 200.967 8.058 0.954 456 HB3 SER 56 HB1 SER 56 201.713 9.142 2.129 457 HG SER 56 HG SER 56 203.741 8.266 1.510 458 H LYS 57 HN LYS 57 201.137 8.263 4.802 459 HA LYS 57 HA LYS 57 198.910 6.920 5.705 460 HB2 LYS 57 HB2 LYS 57 200.343 8.697 6.864 461 HB3 LYS 57 HB1 LYS 57 199.270 9.867 6.109 462 HG2 LYS 57 HG2 LYS 57 197.395 8.427 7.150 463 HG3 LYS 57 HG1 LYS 57 198.684 7.844 8.200 464 HD2 LYS 57 HD2 LYS 57 198.613 9.709 9.425 465 HD3 LYS 57 HD1 LYS 57 198.779 10.715 7.986 466 HE2 LYS 57 HE2 LYS 57 196.435 10.757 7.637 467 HE3 LYS 57 HE1 LYS 57 196.167 9.475 8.816 468 HZ1 LYS 57 HZ1 LYS 57 196.800 12.311 9.276 469 HZ2 LYS 57 HZ2 LYS 57 197.219 11.163 10.444 470 HZ3 LYS 57 HZ3 LYS 57 195.602 11.353 9.989 471 H LEU 58 HN LEU 58 199.131 9.275 3.170 472 HA LEU 58 HA LEU 58 196.534 10.262 3.126 473 HB2 LEU 58 HB2 LEU 58 196.920 10.605 0.685 474 HB3 LEU 58 HB1 LEU 58 198.164 11.259 1.732 475 HG LEU 58 HG LEU 58 199.191 8.798 1.174 476 HD11 LEU 58 HD11 LEU 58 197.921 7.941 -0.481 477 HD12 LEU 58 HD12 LEU 58 198.908 8.998 -1.490 478 HD13 LEU 58 HD13 LEU 58 197.305 9.518 -0.973 479 HD21 LEU 58 HD21 LEU 58 199.643 11.548 0.362 480 HD22 LEU 58 HD22 LEU 58 200.193 10.392 -0.850 481 HD23 LEU 58 HD23 LEU 58 200.801 10.295 0.802 482 H ASN 59 HN ASN 59 197.836 7.382 1.491 483 HA ASN 59 HA ASN 59 195.431 5.930 1.783 484 HB2 ASN 59 HB2 ASN 59 195.387 7.730 -0.366 485 HB3 ASN 59 HB1 ASN 59 195.695 6.156 -1.092 486 HD21 ASN 59 HD21 ASN 59 194.094 4.681 -1.192 487 HD22 ASN 59 HD22 ASN 59 192.483 4.957 -0.631 488 H ASP 60 HN ASP 60 195.499 3.987 0.068 489 HA ASP 60 HA ASP 60 197.919 2.609 0.627 490 HB2 ASP 60 HB2 ASP 60 195.316 1.986 -0.526 491 HB3 ASP 60 HB1 ASP 60 196.625 1.141 -1.346 492 H PHE 61 HN PHE 61 199.539 3.923 -0.327 493 HA PHE 61 HA PHE 61 199.965 3.309 -3.139 494 HB2 PHE 61 HB2 PHE 61 199.662 6.070 -2.023 495 HB3 PHE 61 HB1 PHE 61 200.790 5.798 -3.348 496 HD1 PHE 61 HD2 PHE 61 197.249 5.426 -2.339 497 HD2 PHE 61 HD1 PHE 61 200.032 5.596 -5.553 498 HE1 PHE 61 HE2 PHE 61 195.386 5.540 -3.941 499 HE2 PHE 61 HE1 PHE 61 198.174 5.711 -7.162 500 HZ PHE 61 HZ PHE 61 195.846 5.684 -6.356 501 H ALA 62 HN ALA 62 201.962 2.607 -3.426 502 HA ALA 62 HA ALA 62 204.002 3.320 -1.419 503 HB1 ALA 62 HB1 ALA 62 203.221 0.782 -2.612 504 HB2 ALA 62 HB2 ALA 62 204.128 1.110 -1.135 505 HB3 ALA 62 HB3 ALA 62 204.959 1.077 -2.690 506 H ILE 63 HN ILE 63 206.174 3.606 -2.131 507 HA ILE 63 HA ILE 63 206.351 4.980 -4.659 508 HB ILE 63 HB ILE 63 208.855 4.402 -3.197 509 HG12 ILE 63 HG12 ILE 63 207.855 6.622 -1.830 510 HG13 ILE 63 HG11 ILE 63 206.533 5.461 -1.802 511 HG21 ILE 63 HG21 ILE 63 209.266 6.767 -3.680 512 HG22 ILE 63 HG22 ILE 63 207.634 6.913 -4.331 513 HG23 ILE 63 HG23 ILE 63 208.811 5.868 -5.125 514 HD11 ILE 63 HD11 ILE 63 209.308 5.164 -0.718 515 HD12 ILE 63 HD12 ILE 63 208.260 3.773 -0.997 516 HD13 ILE 63 HD13 ILE 63 207.769 5.034 0.134 517 H ASP 64 HN ASP 64 207.835 4.473 -6.352 518 HA ASP 64 HA ASP 64 208.786 1.701 -6.351 519 HB2 ASP 64 HB2 ASP 64 207.965 1.275 -8.535 520 HB3 ASP 64 HB1 ASP 64 206.631 1.964 -7.619 521 H ALA 65 HN ALA 65 210.760 1.382 -7.082 522 HA ALA 65 HA ALA 65 212.244 3.717 -8.075 523 HB1 ALA 65 HB1 ALA 65 214.151 1.824 -7.696 524 HB2 ALA 65 HB2 ALA 65 212.949 1.352 -6.495 525 HB3 ALA 65 HB3 ALA 65 213.626 2.980 -6.473 526 H SER 66 HN SER 66 210.500 2.498 -9.899 527 HA SER 66 HA SER 66 211.891 0.662 -11.585 528 HB2 SER 66 HB2 SER 66 209.276 1.949 -11.524 529 HB3 SER 66 HB1 SER 66 209.927 1.837 -13.159 530 HG SER 66 HG SER 66 209.872 -0.362 -11.377 531 H HIS 67 HN HIS 67 211.283 4.146 -11.706 532 HA HIS 67 HA HIS 67 212.975 4.380 -14.076 533 HB2 HIS 67 HB2 HIS 67 211.176 6.335 -12.647 534 HB3 HIS 67 HB1 HIS 67 212.220 6.788 -13.984 535 HD1 HIS 67 HD1 HIS 67 209.342 4.429 -13.258 536 HD2 HIS 67 HD2 HIS 67 211.121 6.412 -16.447 537 HE1 HIS 67 HE1 HIS 67 207.845 4.003 -15.233 538 HE2 HIS 67 HE2 HIS 67 208.901 5.275 -17.134 539 H GLU 68 HN GLU 68 214.418 6.418 -14.064 540 HA GLU 68 HA GLU 68 216.546 6.074 -12.386 541 HB2 GLU 68 HB2 GLU 68 215.738 8.769 -13.473 542 HB3 GLU 68 HB1 GLU 68 217.363 8.202 -13.114 543 HG2 GLU 68 HG2 GLU 68 216.430 6.353 -14.929 544 HG3 GLU 68 HG1 GLU 68 215.758 7.876 -15.509 545 H GLN 69 HN GLN 69 213.895 8.399 -11.964 546 HA GLN 69 HA GLN 69 214.808 8.879 -9.219 547 HB2 GLN 69 HB2 GLN 69 212.571 10.524 -9.873 548 HB3 GLN 69 HB1 GLN 69 214.229 11.008 -9.562 549 HG2 GLN 69 HG2 GLN 69 214.449 10.197 -12.121 550 HG3 GLN 69 HG1 GLN 69 212.776 10.751 -12.104 551 HE21 GLN 69 HE21 GLN 69 215.881 11.648 -12.631 552 HE22 GLN 69 HE22 GLN 69 215.736 13.355 -12.409 553 H ILE 70 HN ILE 70 213.372 8.617 -7.462 554 HA ILE 70 HA ILE 70 211.471 6.505 -7.878 555 HB ILE 70 HB ILE 70 211.612 7.870 -5.240 556 HG12 ILE 70 HG12 ILE 70 213.943 7.854 -5.876 557 HG13 ILE 70 HG11 ILE 70 213.668 6.578 -4.699 558 HG21 ILE 70 HG21 ILE 70 210.885 5.888 -4.464 559 HG22 ILE 70 HG22 ILE 70 211.961 4.969 -5.516 560 HG23 ILE 70 HG23 ILE 70 210.439 5.598 -6.145 561 HD11 ILE 70 HD11 ILE 70 214.812 5.314 -6.142 562 HD12 ILE 70 HD12 ILE 70 214.519 6.412 -7.491 563 HD13 ILE 70 HD13 ILE 70 213.287 5.239 -7.025 564 H GLU 71 HN GLU 71 209.329 6.496 -7.577 565 HA GLU 71 HA GLU 71 207.909 9.008 -7.093 566 HB2 GLU 71 HB2 GLU 71 206.412 8.546 -9.059 567 HB3 GLU 71 HB1 GLU 71 208.051 9.027 -9.477 568 HG2 GLU 71 HG2 GLU 71 208.139 6.250 -9.328 569 HG3 GLU 71 HG1 GLU 71 206.614 6.618 -10.131 570 H THR 72 HN THR 72 205.518 8.623 -6.871 571 HA THR 72 HA THR 72 205.103 6.100 -5.443 572 HB THR 72 HB THR 72 203.206 7.272 -4.362 573 HG1 THR 72 HG1 THR 72 202.779 9.357 -4.815 574 HG21 THR 72 HG21 THR 72 205.854 7.622 -3.794 575 HG22 THR 72 HG22 THR 72 204.508 8.154 -2.787 576 HG23 THR 72 HG23 THR 72 205.265 9.280 -3.913 577 H GLN 73 HN GLN 73 203.486 4.708 -5.950 578 HA GLN 73 HA GLN 73 201.356 5.385 -7.738 579 HB2 GLN 73 HB2 GLN 73 202.560 3.157 -9.049 580 HB3 GLN 73 HB1 GLN 73 202.213 4.749 -9.702 581 HG2 GLN 73 HG2 GLN 73 204.378 5.552 -9.027 582 HG3 GLN 73 HG1 GLN 73 204.725 4.028 -8.211 583 HE21 GLN 73 HE21 GLN 73 204.518 2.071 -9.684 584 HE22 GLN 73 HE22 GLN 73 205.218 2.221 -11.256 585 HA PRO 74 HA PRO 74 199.206 2.094 -5.766 586 HB2 PRO 74 HB2 PRO 74 198.648 0.931 -8.453 587 HB3 PRO 74 HB1 PRO 74 197.526 1.347 -7.152 588 HG2 PRO 74 HG2 PRO 74 197.730 2.891 -9.310 589 HG3 PRO 74 HG1 PRO 74 197.519 3.602 -7.699 590 HD2 PRO 74 HD2 PRO 74 199.974 3.423 -9.388 591 HD3 PRO 74 HD1 PRO 74 199.448 4.717 -8.294 592 H PHE 75 HN PHE 75 199.819 0.201 -4.870 593 HA PHE 75 HA PHE 75 202.238 -1.021 -5.499 594 HB2 PHE 75 HB2 PHE 75 201.166 -1.199 -3.303 595 HB3 PHE 75 HB1 PHE 75 199.875 -2.172 -4.000 596 HD1 PHE 75 HD1 PHE 75 200.544 -4.395 -5.088 597 HD2 PHE 75 HD2 PHE 75 203.073 -2.207 -2.457 598 HE1 PHE 75 HE1 PHE 75 201.846 -6.436 -4.649 599 HE2 PHE 75 HE2 PHE 75 204.381 -4.244 -2.014 600 HZ PHE 75 HZ PHE 75 203.768 -6.362 -3.111 601 H ASP 76 HN ASP 76 202.847 -2.590 -6.858 602 HA ASP 76 HA ASP 76 200.745 -4.032 -8.334 603 HB2 ASP 76 HB2 ASP 76 202.937 -2.401 -9.313 604 HB3 ASP 76 HB1 ASP 76 203.018 -4.036 -9.961 605 HA PRO 77 HA PRO 77 202.741 -7.647 -6.698 606 HB2 PRO 77 HB2 PRO 77 201.604 -9.508 -8.314 607 HB3 PRO 77 HB1 PRO 77 200.739 -8.733 -6.983 608 HG2 PRO 77 HG2 PRO 77 200.670 -8.102 -9.909 609 HG3 PRO 77 HG1 PRO 77 199.327 -8.201 -8.754 610 HD2 PRO 77 HD2 PRO 77 200.398 -5.843 -9.532 611 HD3 PRO 77 HD1 PRO 77 199.736 -6.095 -7.904 612 H ASN 78 HN ASN 78 202.692 -7.072 -10.188 613 HA ASN 78 HA ASN 78 204.958 -8.829 -10.610 614 HB2 ASN 78 HB2 ASN 78 203.087 -7.304 -12.359 615 HB3 ASN 78 HB1 ASN 78 204.668 -7.726 -13.008 616 HD21 ASN 78 HD21 ASN 78 204.251 -9.316 -14.388 617 HD22 ASN 78 HD22 ASN 78 203.414 -10.778 -14.005 618 H ASN 79 HN ASN 79 204.678 -5.765 -9.447 619 HA ASN 79 HA ASN 79 207.141 -4.842 -10.764 620 HB2 ASN 79 HB2 ASN 79 204.828 -3.485 -10.558 621 HB3 ASN 79 HB1 ASN 79 205.591 -2.979 -9.054 622 HD21 ASN 79 HD21 ASN 79 207.121 -1.460 -9.113 623 HD22 ASN 79 HD22 ASN 79 207.778 -0.772 -10.556 624 HA PRO 80 HA PRO 80 208.764 -5.901 -6.646 625 HB2 PRO 80 HB2 PRO 80 211.360 -6.056 -7.918 626 HB3 PRO 80 HB1 PRO 80 210.396 -7.354 -7.214 627 HG2 PRO 80 HG2 PRO 80 210.886 -7.114 -9.890 628 HG3 PRO 80 HG1 PRO 80 209.454 -7.915 -9.219 629 HD2 PRO 80 HD2 PRO 80 209.730 -5.154 -10.348 630 HD3 PRO 80 HD1 PRO 80 208.410 -6.327 -10.543 631 H LYS 81 HN LYS 81 208.548 -3.120 -7.938 632 HA LYS 81 HA LYS 81 210.826 -1.911 -6.534 633 HB2 LYS 81 HB2 LYS 81 209.448 -1.205 -9.096 634 HB3 LYS 81 HB1 LYS 81 210.220 0.054 -8.157 635 HG2 LYS 81 HG2 LYS 81 211.514 -2.370 -9.371 636 HG3 LYS 81 HG1 LYS 81 211.758 -0.681 -9.819 637 HD2 LYS 81 HD2 LYS 81 212.582 -0.346 -7.427 638 HD3 LYS 81 HD1 LYS 81 212.648 -2.106 -7.327 639 HE2 LYS 81 HE2 LYS 81 214.252 -2.230 -9.072 640 HE3 LYS 81 HE1 LYS 81 214.022 -0.534 -9.494 641 HZ1 LYS 81 HZ1 LYS 81 214.917 -1.180 -6.781 642 HZ2 LYS 81 HZ2 LYS 81 215.269 0.169 -7.739 643 HZ3 LYS 81 HZ3 LYS 81 216.040 -1.306 -8.041 644 H ARG 82 HN ARG 82 207.406 -2.121 -6.875 645 HA ARG 82 HA ARG 82 206.833 0.342 -5.472 646 HB2 ARG 82 HB2 ARG 82 205.205 -1.816 -6.739 647 HB3 ARG 82 HB1 ARG 82 204.447 -0.722 -5.590 648 HG2 ARG 82 HG2 ARG 82 205.027 1.178 -6.939 649 HG3 ARG 82 HG1 ARG 82 205.937 0.154 -8.051 650 HD2 ARG 82 HD2 ARG 82 203.265 -0.846 -7.735 651 HD3 ARG 82 HD1 ARG 82 203.230 0.860 -8.179 652 HE ARG 82 HE ARG 82 205.008 -0.745 -9.778 653 HH11 ARG 82 HH11 ARG 82 201.749 0.453 -9.423 654 HH12 ARG 82 HH12 ARG 82 201.373 0.288 -11.104 655 HH21 ARG 82 HH21 ARG 82 204.513 -0.964 -11.990 656 HH22 ARG 82 HH22 ARG 82 202.939 -0.520 -12.561 657 H ALA 83 HN ALA 83 208.238 -2.099 -4.213 658 HA ALA 83 HA ALA 83 206.522 -2.174 -1.820 659 HB1 ALA 83 HB1 ALA 83 208.119 -4.521 -1.882 660 HB2 ALA 83 HB2 ALA 83 207.287 -4.376 -3.431 661 HB3 ALA 83 HB3 ALA 83 206.362 -4.382 -1.930 662 H TRP 84 HN TRP 84 207.596 -0.715 -0.601 663 HA TRP 84 HA TRP 84 210.486 -1.124 -0.239 664 HB2 TRP 84 HB2 TRP 84 208.761 1.314 0.210 665 HB3 TRP 84 HB1 TRP 84 210.472 1.220 0.626 666 HD1 TRP 84 HD1 TRP 84 208.208 0.958 -2.508 667 HE1 TRP 84 HE1 TRP 84 209.577 1.742 -4.542 668 HE3 TRP 84 HE3 TRP 84 212.699 1.703 -0.204 669 HZ2 TRP 84 HZ2 TRP 84 212.211 2.589 -5.082 670 HZ3 TRP 84 HZ3 TRP 84 214.593 2.499 -1.546 671 HH2 TRP 84 HH2 TRP 84 214.356 2.934 -3.938 672 H ILE 85 HN ILE 85 211.342 -1.541 1.688 673 HA ILE 85 HA ILE 85 209.498 -1.718 3.988 674 HB ILE 85 HB ILE 85 210.883 -3.516 4.884 675 HG12 ILE 85 HG12 ILE 85 212.515 -4.539 3.076 676 HG13 ILE 85 HG11 ILE 85 212.565 -2.879 2.494 677 HG21 ILE 85 HG21 ILE 85 210.475 -4.604 2.199 678 HG22 ILE 85 HG22 ILE 85 209.092 -3.714 2.836 679 HG23 ILE 85 HG23 ILE 85 209.756 -5.075 3.739 680 HD11 ILE 85 HD11 ILE 85 213.912 -2.246 4.141 681 HD12 ILE 85 HD12 ILE 85 214.147 -3.965 4.458 682 HD13 ILE 85 HD13 ILE 85 212.935 -3.058 5.364 683 H VAL 86 HN VAL 86 210.409 -1.218 6.099 684 HA VAL 86 HA VAL 86 212.549 0.772 5.874 685 HB VAL 86 HB VAL 86 210.717 0.368 8.232 686 HG11 VAL 86 HG11 VAL 86 212.286 1.748 9.078 687 HG12 VAL 86 HG12 VAL 86 211.376 2.981 8.206 688 HG13 VAL 86 HG13 VAL 86 212.827 2.283 7.487 689 HG21 VAL 86 HG21 VAL 86 209.022 1.283 7.125 690 HG22 VAL 86 HG22 VAL 86 209.991 1.284 5.652 691 HG23 VAL 86 HG23 VAL 86 210.016 2.683 6.724 692 H SER 87 HN SER 87 214.467 0.472 6.784 693 HA SER 87 HA SER 87 214.780 -1.741 8.704 694 HB2 SER 87 HB2 SER 87 215.766 -2.320 6.518 695 HB3 SER 87 HB1 SER 87 216.762 -0.866 6.586 696 HG SER 87 HG SER 87 217.228 -3.268 7.668 697 H GLY 88 HN GLY 88 214.750 -0.504 10.554 698 HA2 GLY 88 HA2 GLY 88 215.723 0.735 12.229 699 HA3 GLY 88 HA1 GLY 88 217.166 0.841 11.233 700 H ASN 89 HN ASN 89 217.586 2.664 10.123 701 HA ASN 89 HA ASN 89 215.593 4.825 10.301 702 HB2 ASN 89 HB2 ASN 89 217.428 6.389 10.598 703 HB3 ASN 89 HB1 ASN 89 217.548 5.122 11.814 704 HD21 ASN 89 HD21 ASN 89 218.729 5.982 8.576 705 HD22 ASN 89 HD22 ASN 89 220.296 5.289 8.777 706 H THR 90 HN THR 90 216.045 2.899 8.111 707 HA THR 90 HA THR 90 216.484 4.865 6.013 708 HB THR 90 HB THR 90 217.854 2.835 4.922 709 HG1 THR 90 HG1 THR 90 218.545 2.751 7.664 710 HG21 THR 90 HG21 THR 90 219.706 4.122 5.058 711 HG22 THR 90 HG22 THR 90 219.466 4.479 6.769 712 HG23 THR 90 HG23 THR 90 218.509 5.320 5.550 713 H ILE 91 HN ILE 91 215.556 4.417 4.073 714 HA ILE 91 HA ILE 91 213.493 2.333 4.088 715 HB ILE 91 HB ILE 91 213.912 4.483 2.004 716 HG12 ILE 91 HG12 ILE 91 213.617 5.576 4.160 717 HG13 ILE 91 HG11 ILE 91 212.155 5.761 3.197 718 HG21 ILE 91 HG21 ILE 91 212.370 2.291 1.847 719 HG22 ILE 91 HG22 ILE 91 211.954 3.825 1.085 720 HG23 ILE 91 HG23 ILE 91 211.242 3.391 2.639 721 HD11 ILE 91 HD11 ILE 91 211.922 3.401 4.768 722 HD12 ILE 91 HD12 ILE 91 210.955 4.875 4.823 723 HD13 ILE 91 HD13 ILE 91 212.413 4.740 5.806 724 H ALA 92 HN ALA 92 213.890 0.449 3.097 725 HA ALA 92 HA ALA 92 215.856 0.449 0.897 726 HB1 ALA 92 HB1 ALA 92 215.468 -1.905 2.712 727 HB2 ALA 92 HB2 ALA 92 216.561 -0.587 3.134 728 HB3 ALA 92 HB3 ALA 92 216.833 -1.522 1.664 729 H GLN 93 HN GLN 93 215.527 -0.883 -0.840 730 HA GLN 93 HA GLN 93 212.867 -1.412 -1.606 731 HB2 GLN 93 HB2 GLN 93 215.145 -1.061 -2.942 732 HB3 GLN 93 HB1 GLN 93 215.129 -2.817 -2.941 733 HG2 GLN 93 HG2 GLN 93 213.951 -2.583 -4.818 734 HG3 GLN 93 HG1 GLN 93 212.598 -2.288 -3.726 735 HE21 GLN 93 HE21 GLN 93 215.338 -0.193 -4.505 736 HE22 GLN 93 HE22 GLN 93 214.394 1.092 -5.164 737 H LEU 94 HN LEU 94 211.809 -3.364 -1.994 738 HA LEU 94 HA LEU 94 212.101 -5.342 -0.023 739 HB2 LEU 94 HB2 LEU 94 210.298 -6.487 -1.045 740 HB3 LEU 94 HB1 LEU 94 209.976 -4.778 -1.209 741 HG LEU 94 HG LEU 94 211.094 -6.483 -3.437 742 HD11 LEU 94 HD11 LEU 94 209.083 -7.364 -3.671 743 HD12 LEU 94 HD12 LEU 94 208.486 -5.753 -4.063 744 HD13 LEU 94 HD13 LEU 94 208.418 -6.339 -2.401 745 HD21 LEU 94 HD21 LEU 94 211.532 -4.430 -4.266 746 HD22 LEU 94 HD22 LEU 94 210.440 -3.635 -3.143 747 HD23 LEU 94 HD23 LEU 94 209.802 -4.395 -4.593 748 H SER 95 HN SER 95 212.685 -5.651 -3.545 749 HA SER 95 HA SER 95 213.960 -8.190 -3.199 750 HB2 SER 95 HB2 SER 95 213.220 -6.454 -5.487 751 HB3 SER 95 HB1 SER 95 214.551 -7.581 -5.747 752 HG SER 95 HG SER 95 211.855 -8.100 -5.181 753 H ASP 96 HN ASP 96 215.087 -5.147 -2.604 754 HA ASP 96 HA ASP 96 217.843 -6.046 -2.995 755 HB2 ASP 96 HB2 ASP 96 216.560 -3.661 -4.183 756 HB3 ASP 96 HB1 ASP 96 218.142 -3.393 -3.456 757 H ARG 97 HN ARG 97 217.855 -6.479 -0.747 758 HA ARG 97 HA ARG 97 217.230 -4.492 1.186 759 HB2 ARG 97 HB2 ARG 97 218.646 -7.135 1.242 760 HB3 ARG 97 HB1 ARG 97 218.719 -6.078 2.644 761 HG2 ARG 97 HG2 ARG 97 216.151 -6.996 1.376 762 HG3 ARG 97 HG1 ARG 97 216.934 -7.814 2.730 763 HD2 ARG 97 HD2 ARG 97 216.583 -6.004 4.173 764 HD3 ARG 97 HD1 ARG 97 216.264 -4.893 2.843 765 HE ARG 97 HE ARG 97 214.086 -5.651 2.746 766 HH11 ARG 97 HH11 ARG 97 215.935 -7.634 4.947 767 HH12 ARG 97 HH12 ARG 97 214.539 -8.410 5.614 768 HH21 ARG 97 HH21 ARG 97 212.253 -6.673 3.622 769 HH22 ARG 97 HH22 ARG 97 212.450 -7.868 4.860 770 H ASP 98 HN ASP 98 219.871 -5.008 -0.895 771 HA ASP 98 HA ASP 98 221.778 -3.586 0.779 772 HB2 ASP 98 HB2 ASP 98 221.906 -5.263 -1.635 773 HB3 ASP 98 HB1 ASP 98 223.012 -3.893 -1.645 774 H ILE 99 HN ILE 99 219.245 -2.492 -0.747 775 HA ILE 99 HA ILE 99 220.614 -0.074 -1.680 776 HB ILE 99 HB ILE 99 219.596 -1.640 -3.527 777 HG12 ILE 99 HG12 ILE 99 219.066 1.334 -3.434 778 HG13 ILE 99 HG11 ILE 99 220.579 0.569 -3.909 779 HG21 ILE 99 HG21 ILE 99 217.351 -1.591 -3.928 780 HG22 ILE 99 HG22 ILE 99 217.127 -0.034 -3.132 781 HG23 ILE 99 HG23 ILE 99 217.336 -1.495 -2.168 782 HD11 ILE 99 HD11 ILE 99 219.780 -0.058 -5.945 783 HD12 ILE 99 HD12 ILE 99 218.831 1.405 -5.686 784 HD13 ILE 99 HD13 ILE 99 218.114 -0.177 -5.381 785 H VAL 100 HN VAL 100 219.741 1.812 -0.972 786 HA VAL 100 HA VAL 100 217.085 1.817 0.214 787 HB VAL 100 HB VAL 100 217.789 2.745 2.331 788 HG11 VAL 100 HG11 VAL 100 218.007 0.133 1.640 789 HG12 VAL 100 HG12 VAL 100 218.167 0.747 3.281 790 HG13 VAL 100 HG13 VAL 100 219.606 0.444 2.308 791 HG21 VAL 100 HG21 VAL 100 220.417 2.414 2.727 792 HG22 VAL 100 HG22 VAL 100 219.712 3.932 2.170 793 HG23 VAL 100 HG23 VAL 100 220.431 2.815 1.009 794 H LEU 101 HN LEU 101 216.069 3.759 0.045 795 HA LEU 101 HA LEU 101 216.861 5.661 -1.733 796 HB2 LEU 101 HB2 LEU 101 215.219 6.193 0.727 797 HB3 LEU 101 HB1 LEU 101 215.277 7.199 -0.695 798 HG LEU 101 HG LEU 101 214.368 4.355 -0.835 799 HD11 LEU 101 HD11 LEU 101 213.029 5.753 0.816 800 HD12 LEU 101 HD12 LEU 101 212.131 4.989 -0.496 801 HD13 LEU 101 HD13 LEU 101 212.522 6.706 -0.578 802 HD21 LEU 101 HD21 LEU 101 213.256 5.129 -2.865 803 HD22 LEU 101 HD22 LEU 101 214.994 5.418 -2.932 804 HD23 LEU 101 HD23 LEU 101 213.891 6.751 -2.593 805 H ASP 102 HN ASP 102 217.590 7.750 -1.621 806 HA ASP 102 HA ASP 102 219.054 8.633 0.712 807 HB2 ASP 102 HB2 ASP 102 220.559 7.019 -0.328 808 HB3 ASP 102 HB1 ASP 102 220.398 7.839 -1.870 809 H ILE 103 HN ILE 103 220.196 10.734 0.221 810 HA ILE 103 HA ILE 103 218.431 12.417 -1.362 811 HB ILE 103 HB ILE 103 220.837 13.252 0.259 812 HG12 ILE 103 HG12 ILE 103 219.184 12.070 1.660 813 HG13 ILE 103 HG11 ILE 103 219.275 13.782 2.061 814 HG21 ILE 103 HG21 ILE 103 220.212 15.419 -0.066 815 HG22 ILE 103 HG22 ILE 103 218.505 15.017 -0.251 816 HG23 ILE 103 HG23 ILE 103 219.628 14.726 -1.579 817 HD11 ILE 103 HD11 ILE 103 217.279 13.574 0.121 818 HD12 ILE 103 HD12 ILE 103 217.079 13.872 1.848 819 HD13 ILE 103 HD13 ILE 103 217.023 12.223 1.225 820 H ILE 104 HN ILE 104 218.866 12.993 -3.431 821 HA ILE 104 HA ILE 104 221.240 12.126 -4.708 822 HB ILE 104 HB ILE 104 219.110 12.359 -5.901 823 HG12 ILE 104 HG12 ILE 104 220.529 14.255 -7.534 824 HG13 ILE 104 HG11 ILE 104 221.674 13.132 -6.807 825 HG21 ILE 104 HG21 ILE 104 218.821 14.723 -4.645 826 HG22 ILE 104 HG22 ILE 104 217.930 14.269 -6.098 827 HG23 ILE 104 HG23 ILE 104 219.374 15.273 -6.227 828 HD11 ILE 104 HD11 ILE 104 220.456 11.256 -7.723 829 HD12 ILE 104 HD12 ILE 104 220.889 12.390 -9.003 830 HD13 ILE 104 HD13 ILE 104 219.237 12.344 -8.387 831 H LYS 105 HN LYS 105 223.038 13.180 -5.322 832 HA LYS 105 HA LYS 105 224.740 14.682 -5.239 833 HB2 LYS 105 HB2 LYS 105 222.328 16.238 -5.889 834 HB3 LYS 105 HB1 LYS 105 223.672 17.190 -5.274 835 HG2 LYS 105 HG2 LYS 105 224.164 17.252 -7.485 836 HG3 LYS 105 HG1 LYS 105 225.019 15.770 -7.054 837 HD2 LYS 105 HD2 LYS 105 222.383 14.994 -7.615 838 HD3 LYS 105 HD1 LYS 105 222.820 16.151 -8.874 839 HE2 LYS 105 HE2 LYS 105 223.469 14.045 -9.702 840 HE3 LYS 105 HE1 LYS 105 224.957 14.817 -9.158 841 HZ1 LYS 105 HZ1 LYS 105 223.485 12.574 -7.953 842 HZ2 LYS 105 HZ2 LYS 105 224.453 13.556 -6.973 843 HZ3 LYS 105 HZ3 LYS 105 225.140 12.720 -8.273 844 H SER 106 HN SER 106 223.210 13.942 -2.662 845 HA SER 106 HA SER 106 223.161 14.539 -0.454 846 HB2 SER 106 HB2 SER 106 225.906 15.638 -1.102 847 HB3 SER 106 HB1 SER 106 225.344 15.027 0.454 848 HG SER 106 HG SER 106 225.494 13.463 -1.908 849 H ASP 107 HN ASP 107 225.083 16.999 0.245 850 HA ASP 107 HA ASP 107 224.827 19.210 0.694 851 HB2 ASP 107 HB2 ASP 107 223.525 18.869 -1.916 852 HB3 ASP 107 HB1 ASP 107 222.942 20.259 -1.004 853 H LYS 108 HN LYS 108 223.264 20.821 1.524 854 HA LYS 108 HA LYS 108 221.167 19.463 3.012 855 HB2 LYS 108 HB2 LYS 108 222.934 21.622 3.517 856 HB3 LYS 108 HB1 LYS 108 221.300 22.264 3.585 857 HG2 LYS 108 HG2 LYS 108 220.750 21.052 5.431 858 HG3 LYS 108 HG1 LYS 108 221.848 19.731 5.026 859 HD2 LYS 108 HD2 LYS 108 223.731 21.397 5.516 860 HD3 LYS 108 HD1 LYS 108 222.483 22.382 6.284 861 HE2 LYS 108 HE2 LYS 108 221.911 20.180 7.550 862 HE3 LYS 108 HE1 LYS 108 223.541 19.700 7.079 863 HZ1 LYS 108 HZ1 LYS 108 224.295 21.849 8.105 864 HZ2 LYS 108 HZ2 LYS 108 223.717 20.690 9.192 865 HZ3 LYS 108 HZ3 LYS 108 222.743 22.004 8.762 866 H GLU 109 HN GLU 109 221.428 21.281 0.180 867 HA GLU 109 HA GLU 109 219.286 22.954 0.046 868 HB2 GLU 109 HB2 GLU 109 220.627 21.198 -1.940 869 HB3 GLU 109 HB1 GLU 109 219.086 21.904 -2.406 870 HG2 GLU 109 HG2 GLU 109 220.029 23.862 -2.812 871 HG3 GLU 109 HG1 GLU 109 220.772 23.898 -1.214 872 H ALA 110 HN ALA 110 217.121 22.825 0.050 873 HA ALA 110 HA ALA 110 215.909 20.223 0.520 874 HB1 ALA 110 HB1 ALA 110 215.462 22.615 1.671 875 HB2 ALA 110 HB2 ALA 110 214.272 21.314 1.624 876 HB3 ALA 110 HB3 ALA 110 214.197 22.622 0.443 877 H GLY 111 HN GLY 111 213.787 19.730 -0.534 878 HA2 GLY 111 HA2 GLY 111 212.462 19.439 -2.392 879 HA3 GLY 111 HA1 GLY 111 213.134 20.928 -3.041 880 H ALA 112 HN ALA 112 215.377 18.520 -2.079 881 HA ALA 112 HA ALA 112 216.186 18.158 -4.837 882 HB1 ALA 112 HB1 ALA 112 218.226 17.625 -4.031 883 HB2 ALA 112 HB2 ALA 112 217.572 16.657 -2.711 884 HB3 ALA 112 HB3 ALA 112 217.621 18.415 -2.575 885 H HIS 113 HN HIS 113 216.048 16.320 -6.004 886 HA HIS 113 HA HIS 113 214.059 14.438 -5.395 887 HB2 HIS 113 HB2 HIS 113 216.291 14.407 -7.427 888 HB3 HIS 113 HB1 HIS 113 215.061 13.151 -7.336 889 HD1 HIS 113 HD1 HIS 113 215.771 16.036 -9.197 890 HD2 HIS 113 HD2 HIS 113 212.323 14.574 -7.397 891 HE1 HIS 113 HE1 HIS 113 213.864 17.189 -10.362 892 HE2 HIS 113 HE2 HIS 113 211.786 16.205 -9.331 893 H ILE 114 HN ILE 114 214.524 12.006 -5.459 894 HA ILE 114 HA ILE 114 216.937 11.278 -4.004 895 HB ILE 114 HB ILE 114 215.298 9.809 -2.566 896 HG12 ILE 114 HG12 ILE 114 213.611 12.167 -3.390 897 HG13 ILE 114 HG11 ILE 114 213.212 10.457 -3.518 898 HG21 ILE 114 HG21 ILE 114 215.194 12.377 -1.329 899 HG22 ILE 114 HG22 ILE 114 216.722 12.215 -2.192 900 HG23 ILE 114 HG23 ILE 114 216.265 11.021 -0.976 901 HD11 ILE 114 HD11 ILE 114 213.431 10.503 -0.927 902 HD12 ILE 114 HD12 ILE 114 211.967 11.103 -1.707 903 HD13 ILE 114 HD13 ILE 114 213.190 12.237 -1.134 904 H CYS 115 HN CYS 115 217.224 8.897 -3.863 905 HA CYS 115 HA CYS 115 215.640 7.250 -5.589 906 HB2 CYS 115 HB2 CYS 115 217.681 6.586 -6.946 907 HB3 CYS 115 HB1 CYS 115 216.990 8.162 -7.317 908 HG CYS 115 HG CYS 115 218.989 9.154 -5.791 909 H ALA 116 HN ALA 116 216.796 4.967 -5.698 910 HA ALA 116 HA ALA 116 217.668 4.420 -2.957 911 HB1 ALA 116 HB1 ALA 116 216.243 2.721 -3.172 912 HB2 ALA 116 HB2 ALA 116 217.408 1.987 -4.273 913 HB3 ALA 116 HB3 ALA 116 216.094 2.976 -4.911 914 H TRP 117 HN TRP 117 219.706 3.909 -2.510 915 HA TRP 117 HA TRP 117 221.431 3.037 -4.717 916 HB2 TRP 117 HB2 TRP 117 221.824 5.417 -4.445 917 HB3 TRP 117 HB1 TRP 117 222.152 5.196 -2.734 918 HD1 TRP 117 HD1 TRP 117 224.630 4.962 -2.128 919 HE1 TRP 117 HE1 TRP 117 226.796 4.428 -3.412 920 HE3 TRP 117 HE3 TRP 117 222.619 3.900 -6.707 921 HZ2 TRP 117 HZ2 TRP 117 227.552 3.658 -6.021 922 HZ3 TRP 117 HZ3 TRP 117 224.132 3.274 -8.543 923 HH2 TRP 117 HH2 TRP 117 226.547 3.157 -8.206 924 H LYS 118 HN LYS 118 223.467 2.143 -4.031 925 HA LYS 118 HA LYS 118 223.132 0.096 -2.132 926 HB2 LYS 118 HB2 LYS 118 224.738 0.221 -4.154 927 HB3 LYS 118 HB1 LYS 118 225.831 1.048 -3.053 928 HG2 LYS 118 HG2 LYS 118 226.571 -1.067 -2.745 929 HG3 LYS 118 HG1 LYS 118 225.282 -1.064 -1.539 930 HD2 LYS 118 HD2 LYS 118 224.612 -2.934 -2.598 931 HD3 LYS 118 HD1 LYS 118 223.911 -1.804 -3.759 932 HE2 LYS 118 HE2 LYS 118 226.272 -1.919 -4.862 933 HE3 LYS 118 HE1 LYS 118 226.412 -3.427 -3.959 934 HZ1 LYS 118 HZ1 LYS 118 225.509 -4.172 -5.900 935 HZ2 LYS 118 HZ2 LYS 118 224.632 -2.755 -6.188 936 HZ3 LYS 118 HZ3 LYS 118 224.087 -3.866 -5.036 937 H GLN 119 HN GLN 119 223.285 0.127 0.011 938 HA GLN 119 HA GLN 119 223.842 2.409 1.506 939 HB2 GLN 119 HB2 GLN 119 222.566 0.463 2.340 940 HB3 GLN 119 HB1 GLN 119 224.056 -0.469 2.404 941 HG2 GLN 119 HG2 GLN 119 224.929 0.863 4.145 942 HG3 GLN 119 HG1 GLN 119 223.678 2.087 3.932 943 HE21 GLN 119 HE21 GLN 119 223.825 -1.427 4.443 944 HE22 GLN 119 HE22 GLN 119 222.637 -1.465 5.697 945 H HIS 120 HN HIS 120 225.667 3.408 2.022 946 HA HIS 120 HA HIS 120 228.165 1.854 2.061 947 HB2 HIS 120 HB2 HIS 120 229.268 4.009 1.206 948 HB3 HIS 120 HB1 HIS 120 228.361 3.044 0.046 949 HD1 HIS 120 HD1 HIS 120 228.071 6.219 2.071 950 HD2 HIS 120 HD2 HIS 120 226.267 4.342 -1.168 951 HE1 HIS 120 HE1 HIS 120 226.505 7.925 1.091 952 HE2 HIS 120 HE2 HIS 120 225.483 6.793 -0.914 953 H GLY 121 HN GLY 121 226.088 3.418 3.962 954 HA2 GLY 121 HA2 GLY 121 226.365 4.047 6.179 955 HA3 GLY 121 HA1 GLY 121 228.105 3.962 5.956 956 H GLY 122 HN GLY 122 226.754 5.809 3.506 957 HA2 GLY 122 HA2 GLY 122 227.976 8.193 4.411 958 HA3 GLY 122 HA1 GLY 122 226.884 8.054 3.041 959 HA PRO 123 HA PRO 123 224.912 10.027 7.002 960 HB2 PRO 123 HB2 PRO 123 225.314 12.673 6.440 961 HB3 PRO 123 HB1 PRO 123 226.372 11.721 7.487 962 HG2 PRO 123 HG2 PRO 123 226.716 12.453 4.607 963 HG3 PRO 123 HG1 PRO 123 227.918 12.441 5.911 964 HD2 PRO 123 HD2 PRO 123 227.761 10.456 4.096 965 HD3 PRO 123 HD1 PRO 123 228.217 10.151 5.786 966 H ASN 124 HN ASN 124 225.028 10.830 3.594 967 HA ASN 124 HA ASN 124 222.576 12.225 3.446 968 HB2 ASN 124 HB2 ASN 124 222.727 11.778 1.011 969 HB3 ASN 124 HB1 ASN 124 224.221 12.426 1.680 970 HD21 ASN 124 HD21 ASN 124 224.464 11.270 -0.662 971 HD22 ASN 124 HD22 ASN 124 225.192 9.707 -0.543 972 H GLN 125 HN GLN 125 223.212 8.950 4.007 973 HA GLN 125 HA GLN 125 220.615 8.113 2.926 974 HB2 GLN 125 HB2 GLN 125 223.190 6.770 3.410 975 HB3 GLN 125 HB1 GLN 125 221.776 5.824 3.853 976 HG2 GLN 125 HG2 GLN 125 220.924 6.497 1.492 977 HG3 GLN 125 HG1 GLN 125 222.630 6.809 1.175 978 HE21 GLN 125 HE21 GLN 125 221.923 5.034 -0.420 979 HE22 GLN 125 HE22 GLN 125 222.244 3.413 0.086 980 H LYS 126 HN LYS 126 221.301 9.603 5.547 981 HA LYS 126 HA LYS 126 220.091 7.687 7.420 982 HB2 LYS 126 HB2 LYS 126 221.372 10.312 8.156 983 HB3 LYS 126 HB1 LYS 126 221.025 8.943 9.203 984 HG2 LYS 126 HG2 LYS 126 222.934 8.670 6.917 985 HG3 LYS 126 HG1 LYS 126 223.450 9.362 8.456 986 HD2 LYS 126 HD2 LYS 126 222.964 7.368 9.627 987 HD3 LYS 126 HD1 LYS 126 222.052 6.705 8.269 988 HE2 LYS 126 HE2 LYS 126 224.019 5.564 8.026 989 HE3 LYS 126 HE1 LYS 126 224.355 6.976 7.025 990 HZ1 LYS 126 HZ1 LYS 126 226.107 6.252 8.714 991 HZ2 LYS 126 HZ2 LYS 126 225.091 6.930 9.883 992 HZ3 LYS 126 HZ3 LYS 126 225.716 7.897 8.645 993 H PHE 127 HN PHE 127 218.152 8.057 8.366 994 HA PHE 127 HA PHE 127 216.901 10.680 8.085 995 HB2 PHE 127 HB2 PHE 127 215.350 8.184 7.440 996 HB3 PHE 127 HB1 PHE 127 214.902 9.854 7.124 997 HD1 PHE 127 HD1 PHE 127 217.331 7.221 6.155 998 HD2 PHE 127 HD2 PHE 127 215.359 10.831 5.062 999 HE1 PHE 127 HE1 PHE 127 218.250 7.030 3.881 1000 HE2 PHE 127 HE2 PHE 127 216.274 10.646 2.785 1001 HZ PHE 127 HZ PHE 127 217.721 8.743 2.192 1002 H ILE 128 HN ILE 128 215.122 11.014 9.589 1003 HA ILE 128 HA ILE 128 215.331 9.173 11.885 1004 HB ILE 128 HB ILE 128 214.203 11.897 12.229 1005 HG12 ILE 128 HG12 ILE 128 217.163 11.300 12.005 1006 HG13 ILE 128 HG11 ILE 128 216.229 12.324 10.920 1007 HG21 ILE 128 HG21 ILE 128 214.661 11.568 14.422 1008 HG22 ILE 128 HG22 ILE 128 216.153 10.687 14.089 1009 HG23 ILE 128 HG23 ILE 128 214.595 9.877 13.927 1010 HD11 ILE 128 HD11 ILE 128 215.721 13.715 13.023 1011 HD12 ILE 128 HD12 ILE 128 217.322 13.833 12.292 1012 HD13 ILE 128 HD13 ILE 128 217.082 12.848 13.735 1013 H ILE 129 HN ILE 129 213.543 8.354 12.789 1014 HA ILE 129 HA ILE 129 211.009 8.848 11.384 1015 HB ILE 129 HB ILE 129 211.748 6.361 12.917 1016 HG12 ILE 129 HG12 ILE 129 213.287 6.492 11.080 1017 HG13 ILE 129 HG11 ILE 129 212.036 5.338 10.634 1018 HG21 ILE 129 HG21 ILE 129 209.855 5.378 11.816 1019 HG22 ILE 129 HG22 ILE 129 209.589 6.849 10.879 1020 HG23 ILE 129 HG23 ILE 129 209.348 6.860 12.626 1021 HD11 ILE 129 HD11 ILE 129 210.950 7.463 9.524 1022 HD12 ILE 129 HD12 ILE 129 212.201 6.529 8.703 1023 HD13 ILE 129 HD13 ILE 129 212.621 8.028 9.531 1024 H GLU 130 HN GLU 130 209.171 9.271 12.515 1025 HA GLU 130 HA GLU 130 209.267 9.176 15.442 1026 HB2 GLU 130 HB2 GLU 130 209.605 11.542 14.079 1027 HB3 GLU 130 HB1 GLU 130 207.876 11.536 14.396 1028 HG2 GLU 130 HG2 GLU 130 208.235 12.186 16.473 1029 HG3 GLU 130 HG1 GLU 130 209.212 10.749 16.773 1030 H SER 131 HN SER 131 207.824 7.489 15.525 1031 HA SER 131 HA SER 131 205.559 7.087 14.004 1032 HB2 SER 131 HB2 SER 131 206.689 5.630 15.882 1033 HB3 SER 131 HB1 SER 131 205.488 6.401 16.918 1034 HG SER 131 HG SER 131 203.914 5.669 15.305 1035 H GLU 132 HN GLU 132 203.924 8.412 13.650 1036 HA GLU 132 HA GLU 132 203.190 10.465 15.529 1037 HB2 GLU 132 HB2 GLU 132 203.008 10.206 12.800 1038 HB3 GLU 132 HB1 GLU 132 201.343 9.964 13.307 1039 HG2 GLU 132 HG2 GLU 132 203.009 12.313 14.162 1040 HG3 GLU 132 HG1 GLU 132 201.966 12.318 12.741 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 193.100 -4.982 10.500 2 H2 MET 1 HT2 MET 1 192.546 -3.538 11.244 3 H3 MET 1 HT3 MET 1 193.623 -4.579 12.082 4 HA MET 1 HA MET 1 195.306 -4.165 10.437 5 HB2 MET 1 HB2 MET 1 193.089 -3.248 8.984 6 HB3 MET 1 HB1 MET 1 194.051 -1.812 9.303 7 HG2 MET 1 HG2 MET 1 195.588 -4.132 8.388 8 HG3 MET 1 HG1 MET 1 194.424 -3.507 7.221 9 HE1 MET 1 HE1 MET 1 196.112 -0.732 5.613 10 HE2 MET 1 HE2 MET 1 194.710 -1.788 5.783 11 HE3 MET 1 HE3 MET 1 196.278 -2.467 5.347 12 H LYS 2 HN LYS 2 196.680 -2.195 10.526 13 HA LYS 2 HA LYS 2 195.928 -0.417 12.748 14 HB2 LYS 2 HB2 LYS 2 198.251 -2.206 12.493 15 HB3 LYS 2 HB1 LYS 2 198.647 -0.565 12.982 16 HG2 LYS 2 HG2 LYS 2 196.684 -0.956 14.690 17 HG3 LYS 2 HG1 LYS 2 197.091 -2.651 14.414 18 HD2 LYS 2 HD2 LYS 2 199.135 -2.463 15.408 19 HD3 LYS 2 HD1 LYS 2 199.327 -0.773 14.940 20 HE2 LYS 2 HE2 LYS 2 198.848 -0.293 17.068 21 HE3 LYS 2 HE1 LYS 2 197.181 -0.693 16.655 22 HZ1 LYS 2 HZ1 LYS 2 197.425 -2.848 17.514 23 HZ2 LYS 2 HZ2 LYS 2 198.151 -1.840 18.662 24 HZ3 LYS 2 HZ3 LYS 2 199.112 -2.732 17.594 25 HA PRO 3 HA PRO 3 197.135 2.213 9.186 26 HB2 PRO 3 HB2 PRO 3 195.403 4.215 9.728 27 HB3 PRO 3 HB1 PRO 3 194.915 2.747 8.872 28 HG2 PRO 3 HG2 PRO 3 194.558 3.465 11.757 29 HG3 PRO 3 HG1 PRO 3 193.403 2.713 10.641 30 HD2 PRO 3 HD2 PRO 3 194.844 1.293 12.458 31 HD3 PRO 3 HD1 PRO 3 194.325 0.621 10.899 32 H LYS 4 HN LYS 4 198.967 2.108 11.075 33 HA LYS 4 HA LYS 4 199.114 4.663 12.470 34 HB2 LYS 4 HB2 LYS 4 199.920 2.129 13.162 35 HB3 LYS 4 HB1 LYS 4 201.431 2.874 12.658 36 HG2 LYS 4 HG2 LYS 4 201.269 3.242 14.971 37 HG3 LYS 4 HG1 LYS 4 200.859 4.782 14.212 38 HD2 LYS 4 HD2 LYS 4 199.264 4.459 15.926 39 HD3 LYS 4 HD1 LYS 4 198.433 4.080 14.416 40 HE2 LYS 4 HE2 LYS 4 199.444 1.649 15.105 41 HE3 LYS 4 HE1 LYS 4 199.115 2.350 16.688 42 HZ1 LYS 4 HZ1 LYS 4 197.295 1.285 14.803 43 HZ2 LYS 4 HZ2 LYS 4 196.903 2.900 15.119 44 HZ3 LYS 4 HZ3 LYS 4 197.006 1.791 16.392 45 H PHE 5 HN PHE 5 200.132 6.353 11.647 46 HA PHE 5 HA PHE 5 201.891 5.965 9.335 47 HB2 PHE 5 HB2 PHE 5 200.592 8.472 10.423 48 HB3 PHE 5 HB1 PHE 5 201.614 8.407 8.991 49 HD1 PHE 5 HD1 PHE 5 200.827 7.326 6.950 50 HD2 PHE 5 HD2 PHE 5 198.333 7.683 10.380 51 HE1 PHE 5 HE1 PHE 5 198.858 6.817 5.566 52 HE2 PHE 5 HE2 PHE 5 196.359 7.174 9.002 53 HZ PHE 5 HZ PHE 5 196.620 6.740 6.592 54 H PHE 6 HN PHE 6 203.684 7.771 9.230 55 HA PHE 6 HA PHE 6 204.829 8.369 11.838 56 HB2 PHE 6 HB2 PHE 6 206.934 7.187 10.241 57 HB3 PHE 6 HB1 PHE 6 206.496 6.886 11.911 58 HD1 PHE 6 HD2 PHE 6 204.670 5.201 12.386 59 HD2 PHE 6 HD1 PHE 6 206.480 5.652 8.562 60 HE1 PHE 6 HE2 PHE 6 203.894 2.955 11.755 61 HE2 PHE 6 HE1 PHE 6 205.711 3.408 7.924 62 HZ PHE 6 HZ PHE 6 204.414 2.052 9.524 63 H TYR 7 HN TYR 7 206.984 9.500 11.572 64 HA TYR 7 HA TYR 7 206.790 11.257 9.232 65 HB2 TYR 7 HB2 TYR 7 207.055 11.817 12.028 66 HB3 TYR 7 HB1 TYR 7 208.499 12.396 11.203 67 HD1 TYR 7 HD1 TYR 7 207.593 13.407 8.687 68 HD2 TYR 7 HD2 TYR 7 205.652 13.591 12.468 69 HE1 TYR 7 HE1 TYR 7 206.373 15.413 7.957 70 HE2 TYR 7 HE2 TYR 7 204.425 15.596 11.748 71 HH TYR 7 HH TYR 7 204.951 17.510 9.899 72 H ILE 8 HN ILE 8 208.357 11.125 7.767 73 HA ILE 8 HA ILE 8 210.855 9.776 8.539 74 HB ILE 8 HB ILE 8 210.685 10.039 5.705 75 HG12 ILE 8 HG12 ILE 8 208.226 10.231 6.067 76 HG13 ILE 8 HG11 ILE 8 208.678 8.778 5.184 77 HG21 ILE 8 HG21 ILE 8 210.835 7.602 5.778 78 HG22 ILE 8 HG22 ILE 8 210.442 7.626 7.497 79 HG23 ILE 8 HG23 ILE 8 211.947 8.348 6.927 80 HD11 ILE 8 HD11 ILE 8 208.675 7.943 7.802 81 HD12 ILE 8 HD12 ILE 8 207.389 7.690 6.623 82 HD13 ILE 8 HD13 ILE 8 207.316 9.064 7.725 83 H LYS 9 HN LYS 9 212.315 11.254 9.074 84 HA LYS 9 HA LYS 9 212.488 13.722 7.506 85 HB2 LYS 9 HB2 LYS 9 212.190 13.983 9.908 86 HB3 LYS 9 HB1 LYS 9 213.619 13.005 10.209 87 HG2 LYS 9 HG2 LYS 9 214.740 14.916 10.288 88 HG3 LYS 9 HG1 LYS 9 214.551 14.978 8.536 89 HD2 LYS 9 HD2 LYS 9 213.275 16.777 8.701 90 HD3 LYS 9 HD1 LYS 9 212.161 15.924 9.768 91 HE2 LYS 9 HE2 LYS 9 213.253 18.071 10.647 92 HE3 LYS 9 HE1 LYS 9 213.255 16.654 11.695 93 HZ1 LYS 9 HZ1 LYS 9 215.427 18.128 11.069 94 HZ2 LYS 9 HZ2 LYS 9 215.565 16.837 9.985 95 HZ3 LYS 9 HZ3 LYS 9 215.470 16.538 11.647 96 H SER 10 HN SER 10 214.234 14.248 6.324 97 HA SER 10 HA SER 10 216.262 12.271 5.852 98 HB2 SER 10 HB2 SER 10 216.018 15.120 4.843 99 HB3 SER 10 HB1 SER 10 217.171 13.924 4.250 100 HG SER 10 HG SER 10 215.471 13.817 2.875 101 H GLU 11 HN GLU 11 217.745 11.977 7.380 102 HA GLU 11 HA GLU 11 218.525 13.864 9.297 103 HB2 GLU 11 HB2 GLU 11 218.769 11.489 9.703 104 HB3 GLU 11 HB1 GLU 11 219.907 11.346 8.372 105 HG2 GLU 11 HG2 GLU 11 221.631 12.012 9.617 106 HG3 GLU 11 HG1 GLU 11 220.706 13.307 10.374 107 H LEU 12 HN LEU 12 219.343 13.702 6.043 108 HA LEU 12 HA LEU 12 222.017 14.758 6.321 109 HB2 LEU 12 HB2 LEU 12 221.425 13.344 4.411 110 HB3 LEU 12 HB1 LEU 12 220.229 14.519 3.900 111 HG LEU 12 HG LEU 12 222.090 16.173 3.593 112 HD11 LEU 12 HD11 LEU 12 223.584 14.503 5.081 113 HD12 LEU 12 HD12 LEU 12 224.258 15.679 3.953 114 HD13 LEU 12 HD13 LEU 12 224.069 13.995 3.464 115 HD21 LEU 12 HD21 LEU 12 222.344 15.539 1.437 116 HD22 LEU 12 HD22 LEU 12 221.097 14.373 1.877 117 HD23 LEU 12 HD23 LEU 12 222.792 13.887 1.858 118 H ASN 13 HN ASN 13 219.063 16.033 4.777 119 HA ASN 13 HA ASN 13 220.045 18.739 4.981 120 HB2 ASN 13 HB2 ASN 13 217.299 17.949 4.056 121 HB3 ASN 13 HB1 ASN 13 218.278 19.314 3.545 122 HD21 ASN 13 HD21 ASN 13 216.999 16.693 2.377 123 HD22 ASN 13 HD22 ASN 13 218.221 16.153 1.281 124 H GLY 14 HN GLY 14 218.331 16.711 7.051 125 HA2 GLY 14 HA2 GLY 14 217.281 17.172 9.055 126 HA3 GLY 14 HA1 GLY 14 217.678 18.870 8.812 127 H LYS 15 HN LYS 15 216.170 17.687 6.091 128 HA LYS 15 HA LYS 15 213.660 18.990 6.787 129 HB2 LYS 15 HB2 LYS 15 214.549 17.920 4.105 130 HB3 LYS 15 HB1 LYS 15 213.273 19.078 4.419 131 HG2 LYS 15 HG2 LYS 15 216.228 19.516 4.743 132 HG3 LYS 15 HG1 LYS 15 215.172 20.225 3.519 133 HD2 LYS 15 HD2 LYS 15 214.694 20.659 6.451 134 HD3 LYS 15 HD1 LYS 15 215.814 21.671 5.538 135 HE2 LYS 15 HE2 LYS 15 213.220 21.307 4.239 136 HE3 LYS 15 HE1 LYS 15 213.123 22.111 5.805 137 HZ1 LYS 15 HZ1 LYS 15 214.169 23.930 5.034 138 HZ2 LYS 15 HZ2 LYS 15 213.626 23.384 3.528 139 HZ3 LYS 15 HZ3 LYS 15 215.210 23.059 4.023 140 H VAL 16 HN VAL 16 211.784 17.785 5.327 141 HA VAL 16 HA VAL 16 211.887 14.945 6.109 142 HB VAL 16 HB VAL 16 209.349 15.161 6.311 143 HG11 VAL 16 HG11 VAL 16 211.219 15.155 8.167 144 HG12 VAL 16 HG12 VAL 16 209.526 15.433 8.574 145 HG13 VAL 16 HG13 VAL 16 210.635 16.797 8.435 146 HG21 VAL 16 HG21 VAL 16 209.560 17.553 5.237 147 HG22 VAL 16 HG22 VAL 16 209.798 18.042 6.915 148 HG23 VAL 16 HG23 VAL 16 208.320 17.205 6.442 149 H LEU 17 HN LEU 17 211.078 13.473 4.650 150 HA LEU 17 HA LEU 17 210.990 14.335 1.922 151 HB2 LEU 17 HB2 LEU 17 210.155 11.848 1.638 152 HB3 LEU 17 HB1 LEU 17 211.837 12.224 1.959 153 HG LEU 17 HG LEU 17 210.199 11.806 4.360 154 HD11 LEU 17 HD11 LEU 17 209.142 10.006 3.504 155 HD12 LEU 17 HD12 LEU 17 210.687 9.219 3.827 156 HD13 LEU 17 HD13 LEU 17 210.315 9.800 2.204 157 HD21 LEU 17 HD21 LEU 17 212.937 11.317 3.378 158 HD22 LEU 17 HD22 LEU 17 212.317 10.167 4.562 159 HD23 LEU 17 HD23 LEU 17 212.378 11.886 4.951 160 H ASP 18 HN ASP 18 209.253 14.611 0.576 161 HA ASP 18 HA ASP 18 206.574 13.998 1.564 162 HB2 ASP 18 HB2 ASP 18 207.212 16.343 2.278 163 HB3 ASP 18 HB1 ASP 18 207.292 16.761 0.570 164 H ILE 19 HN ILE 19 205.083 13.632 -0.045 165 HA ILE 19 HA ILE 19 206.098 13.038 -2.643 166 HB ILE 19 HB ILE 19 203.162 13.348 -2.072 167 HG12 ILE 19 HG12 ILE 19 204.044 12.091 -0.168 168 HG13 ILE 19 HG11 ILE 19 203.118 11.032 -1.223 169 HG21 ILE 19 HG21 ILE 19 204.334 11.089 -3.593 170 HG22 ILE 19 HG22 ILE 19 204.379 12.689 -4.332 171 HG23 ILE 19 HG23 ILE 19 202.835 11.981 -3.858 172 HD11 ILE 19 HD11 ILE 19 205.935 10.950 -0.484 173 HD12 ILE 19 HD12 ILE 19 205.638 10.736 -2.209 174 HD13 ILE 19 HD13 ILE 19 204.863 9.665 -1.041 175 H GLU 20 HN GLU 20 205.839 14.152 -4.583 176 HA GLU 20 HA GLU 20 205.867 16.909 -4.558 177 HB2 GLU 20 HB2 GLU 20 205.519 14.830 -6.635 178 HB3 GLU 20 HB1 GLU 20 205.001 16.452 -7.072 179 HG2 GLU 20 HG2 GLU 20 207.413 16.982 -5.985 180 HG3 GLU 20 HG1 GLU 20 207.699 15.375 -6.651 181 H GLY 21 HN GLY 21 204.304 18.135 -3.713 182 HA2 GLY 21 HA2 GLY 21 202.242 19.070 -3.342 183 HA3 GLY 21 HA1 GLY 21 201.925 18.664 -5.021 184 H GLN 22 HN GLN 22 202.558 16.268 -2.536 185 HA GLN 22 HA GLN 22 201.338 14.428 -1.939 186 HB2 GLN 22 HB2 GLN 22 199.316 14.956 -0.720 187 HB3 GLN 22 HB1 GLN 22 200.536 16.180 -0.397 188 HG2 GLN 22 HG2 GLN 22 199.423 17.799 -1.621 189 HG3 GLN 22 HG1 GLN 22 198.491 16.611 -2.531 190 HE21 GLN 22 HE21 GLN 22 198.997 16.790 0.952 191 HE22 GLN 22 HE22 GLN 22 197.337 17.030 1.365 192 H ASN 23 HN ASN 23 201.214 15.055 -4.790 193 HA ASN 23 HA ASN 23 198.645 14.809 -5.854 194 HB2 ASN 23 HB2 ASN 23 201.337 14.728 -6.828 195 HB3 ASN 23 HB1 ASN 23 200.430 13.406 -7.555 196 HD21 ASN 23 HD21 ASN 23 200.623 14.461 -9.569 197 HD22 ASN 23 HD22 ASN 23 199.611 15.802 -9.971 198 HA PRO 24 HA PRO 24 198.032 10.555 -4.434 199 HB2 PRO 24 HB2 PRO 24 195.231 10.901 -5.034 200 HB3 PRO 24 HB1 PRO 24 196.012 10.791 -3.456 201 HG2 PRO 24 HG2 PRO 24 194.827 13.064 -4.429 202 HG3 PRO 24 HG1 PRO 24 196.117 13.057 -3.215 203 HD2 PRO 24 HD2 PRO 24 196.282 13.583 -6.156 204 HD3 PRO 24 HD1 PRO 24 197.132 14.381 -4.815 205 H ALA 25 HN ALA 25 198.814 11.172 -7.202 206 HA ALA 25 HA ALA 25 197.222 9.109 -8.569 207 HB1 ALA 25 HB1 ALA 25 198.592 11.314 -10.064 208 HB2 ALA 25 HB2 ALA 25 196.978 11.540 -9.390 209 HB3 ALA 25 HB3 ALA 25 197.266 10.273 -10.583 210 HA PRO 26 HA PRO 26 200.972 6.853 -9.134 211 HB2 PRO 26 HB2 PRO 26 200.069 6.150 -11.853 212 HB3 PRO 26 HB1 PRO 26 200.386 5.101 -10.469 213 HG2 PRO 26 HG2 PRO 26 197.890 5.587 -11.336 214 HG3 PRO 26 HG1 PRO 26 198.258 5.360 -9.617 215 HD2 PRO 26 HD2 PRO 26 197.743 7.886 -11.129 216 HD3 PRO 26 HD1 PRO 26 197.234 7.426 -9.492 217 H GLY 27 HN GLY 27 202.974 7.503 -9.714 218 HA2 GLY 27 HA2 GLY 27 204.527 8.061 -11.480 219 HA3 GLY 27 HA1 GLY 27 203.253 9.006 -12.233 220 H SER 28 HN SER 28 203.058 9.611 -8.973 221 HA SER 28 HA SER 28 204.117 12.238 -9.286 222 HB2 SER 28 HB2 SER 28 203.289 10.843 -6.732 223 HB3 SER 28 HB1 SER 28 203.452 12.581 -6.978 224 HG SER 28 HG SER 28 201.262 11.641 -7.130 225 H LYS 29 HN LYS 29 206.003 13.101 -8.569 226 HA LYS 29 HA LYS 29 208.112 11.229 -7.896 227 HB2 LYS 29 HB2 LYS 29 207.990 14.062 -8.820 228 HB3 LYS 29 HB1 LYS 29 209.423 13.538 -7.947 229 HG2 LYS 29 HG2 LYS 29 209.893 13.278 -10.245 230 HG3 LYS 29 HG1 LYS 29 209.616 11.657 -9.603 231 HD2 LYS 29 HD2 LYS 29 207.511 11.492 -10.612 232 HD3 LYS 29 HD1 LYS 29 207.397 13.234 -10.864 233 HE2 LYS 29 HE2 LYS 29 209.684 12.493 -12.248 234 HE3 LYS 29 HE1 LYS 29 208.548 11.181 -12.559 235 HZ1 LYS 29 HZ1 LYS 29 207.923 14.057 -12.948 236 HZ2 LYS 29 HZ2 LYS 29 206.953 12.742 -13.382 237 HZ3 LYS 29 HZ3 LYS 29 208.416 13.014 -14.185 238 H ILE 30 HN ILE 30 209.591 11.622 -6.136 239 HA ILE 30 HA ILE 30 208.250 12.907 -3.837 240 HB ILE 30 HB ILE 30 209.425 11.316 -2.385 241 HG12 ILE 30 HG12 ILE 30 210.292 9.993 -4.966 242 HG13 ILE 30 HG11 ILE 30 211.355 10.914 -3.906 243 HG21 ILE 30 HG21 ILE 30 207.144 10.914 -3.529 244 HG22 ILE 30 HG22 ILE 30 207.939 9.558 -2.730 245 HG23 ILE 30 HG23 ILE 30 208.012 9.713 -4.485 246 HD11 ILE 30 HD11 ILE 30 210.475 8.171 -3.723 247 HD12 ILE 30 HD12 ILE 30 210.199 9.058 -2.225 248 HD13 ILE 30 HD13 ILE 30 211.817 8.984 -2.922 249 H ILE 31 HN ILE 31 209.468 14.159 -2.405 250 HA ILE 31 HA ILE 31 212.310 14.520 -2.864 251 HB ILE 31 HB ILE 31 212.282 16.832 -3.374 252 HG12 ILE 31 HG12 ILE 31 210.193 17.273 -1.957 253 HG13 ILE 31 HG11 ILE 31 210.383 18.229 -3.419 254 HG21 ILE 31 HG21 ILE 31 211.283 16.863 -5.565 255 HG22 ILE 31 HG22 ILE 31 210.221 15.521 -5.138 256 HG23 ILE 31 HG23 ILE 31 211.962 15.265 -5.255 257 HD11 ILE 31 HD11 ILE 31 208.096 17.509 -3.143 258 HD12 ILE 31 HD12 ILE 31 208.614 15.824 -3.094 259 HD13 ILE 31 HD13 ILE 31 208.810 16.765 -4.573 260 H THR 32 HN THR 32 213.061 16.477 -1.401 261 HA THR 32 HA THR 32 211.842 15.972 1.225 262 HB THR 32 HB THR 32 213.899 16.417 2.218 263 HG1 THR 32 HG1 THR 32 214.495 18.338 1.373 264 HG21 THR 32 HG21 THR 32 215.649 15.247 0.974 265 HG22 THR 32 HG22 THR 32 214.626 15.266 -0.463 266 HG23 THR 32 HG23 THR 32 214.122 14.365 0.967 267 H TRP 33 HN TRP 33 211.345 17.689 2.650 268 HA TRP 33 HA TRP 33 211.611 20.421 1.760 269 HB2 TRP 33 HB2 TRP 33 209.556 19.452 0.587 270 HB3 TRP 33 HB1 TRP 33 208.815 19.367 2.182 271 HD1 TRP 33 HD1 TRP 33 207.361 21.389 2.716 272 HE1 TRP 33 HE1 TRP 33 207.299 23.865 2.014 273 HE3 TRP 33 HE3 TRP 33 211.471 21.474 -0.322 274 HZ2 TRP 33 HZ2 TRP 33 208.796 25.620 0.391 275 HZ3 TRP 33 HZ3 TRP 33 212.088 23.592 -1.412 276 HH2 TRP 33 HH2 TRP 33 210.776 25.622 -1.063 277 H ASP 34 HN ASP 34 210.406 21.914 3.384 278 HA ASP 34 HA ASP 34 211.337 21.246 5.986 279 HB2 ASP 34 HB2 ASP 34 209.440 23.488 5.275 280 HB3 ASP 34 HB1 ASP 34 210.528 23.401 6.657 281 H GLN 35 HN GLN 35 210.289 20.426 7.712 282 HA GLN 35 HA GLN 35 207.940 18.962 7.415 283 HB2 GLN 35 HB2 GLN 35 209.767 18.826 9.239 284 HB3 GLN 35 HB1 GLN 35 208.821 20.051 10.074 285 HG2 GLN 35 HG2 GLN 35 206.864 18.522 9.966 286 HG3 GLN 35 HG1 GLN 35 207.928 17.286 9.296 287 HE21 GLN 35 HE21 GLN 35 208.077 19.615 11.975 288 HE22 GLN 35 HE22 GLN 35 208.573 18.468 13.168 289 H LYS 36 HN LYS 36 205.850 19.468 7.438 290 HA LYS 36 HA LYS 36 205.093 22.224 8.052 291 HB2 LYS 36 HB2 LYS 36 204.353 20.454 6.029 292 HB3 LYS 36 HB1 LYS 36 202.948 20.517 7.084 293 HG2 LYS 36 HG2 LYS 36 202.353 22.439 6.172 294 HG3 LYS 36 HG1 LYS 36 203.858 23.172 6.730 295 HD2 LYS 36 HD2 LYS 36 204.238 23.488 4.533 296 HD3 LYS 36 HD1 LYS 36 204.730 21.793 4.565 297 HE2 LYS 36 HE2 LYS 36 202.770 21.067 3.595 298 HE3 LYS 36 HE1 LYS 36 201.856 22.471 4.143 299 HZ1 LYS 36 HZ1 LYS 36 203.093 23.819 2.529 300 HZ2 LYS 36 HZ2 LYS 36 202.205 22.589 1.781 301 HZ3 LYS 36 HZ3 LYS 36 203.878 22.428 1.968 302 H LYS 37 HN LYS 37 203.026 22.589 9.202 303 HA LYS 37 HA LYS 37 202.567 20.550 11.280 304 HB2 LYS 37 HB2 LYS 37 202.039 22.498 12.803 305 HB3 LYS 37 HB1 LYS 37 203.730 22.315 12.360 306 HG2 LYS 37 HG2 LYS 37 203.792 24.350 11.491 307 HG3 LYS 37 HG1 LYS 37 202.384 24.021 10.479 308 HD2 LYS 37 HD2 LYS 37 200.952 24.475 12.488 309 HD3 LYS 37 HD1 LYS 37 202.409 25.010 13.327 310 HE2 LYS 37 HE2 LYS 37 201.390 26.181 10.742 311 HE3 LYS 37 HE1 LYS 37 201.084 26.864 12.339 312 HZ1 LYS 37 HZ1 LYS 37 203.867 26.340 11.693 313 HZ2 LYS 37 HZ2 LYS 37 203.170 27.655 12.496 314 HZ3 LYS 37 HZ3 LYS 37 203.130 27.579 10.807 315 H GLY 38 HN GLY 38 200.685 19.658 10.633 316 HA2 GLY 38 HA2 GLY 38 198.245 20.815 11.115 317 HA3 GLY 38 HA1 GLY 38 198.575 21.174 9.427 318 HA PRO 39 HA PRO 39 196.672 16.788 10.334 319 HB2 PRO 39 HB2 PRO 39 194.472 18.061 8.778 320 HB3 PRO 39 HB1 PRO 39 194.384 16.919 10.123 321 HG2 PRO 39 HG2 PRO 39 193.847 19.498 10.500 322 HG3 PRO 39 HG1 PRO 39 194.736 18.566 11.719 323 HD2 PRO 39 HD2 PRO 39 195.749 20.566 9.749 324 HD3 PRO 39 HD1 PRO 39 196.281 20.249 11.413 325 H THR 40 HN THR 40 196.902 19.015 7.629 326 HA THR 40 HA THR 40 196.860 16.853 5.688 327 HB THR 40 HB THR 40 195.696 18.859 5.059 328 HG1 THR 40 HG1 THR 40 196.843 17.840 3.380 329 HG21 THR 40 HG21 THR 40 196.366 20.822 5.829 330 HG22 THR 40 HG22 THR 40 197.606 20.796 4.575 331 HG23 THR 40 HG23 THR 40 197.979 20.210 6.196 332 H ALA 41 HN ALA 41 199.051 17.033 7.654 333 HA ALA 41 HA ALA 41 201.339 17.622 5.914 334 HB1 ALA 41 HB1 ALA 41 201.385 18.689 8.101 335 HB2 ALA 41 HB2 ALA 41 202.695 17.518 7.946 336 HB3 ALA 41 HB3 ALA 41 201.257 17.114 8.884 337 H VAL 42 HN VAL 42 199.418 15.083 6.508 338 HA VAL 42 HA VAL 42 201.133 12.963 7.180 339 HB VAL 42 HB VAL 42 198.824 12.595 5.300 340 HG11 VAL 42 HG11 VAL 42 200.458 10.777 6.312 341 HG12 VAL 42 HG12 VAL 42 198.736 10.457 6.113 342 HG13 VAL 42 HG13 VAL 42 199.370 10.916 7.693 343 HG21 VAL 42 HG21 VAL 42 198.726 13.434 8.169 344 HG22 VAL 42 HG22 VAL 42 197.464 12.401 7.497 345 HG23 VAL 42 HG23 VAL 42 197.759 13.997 6.806 346 H ASN 43 HN ASN 43 200.944 14.850 4.332 347 HA ASN 43 HA ASN 43 201.770 13.027 2.376 348 HB2 ASN 43 HB2 ASN 43 202.656 15.065 1.196 349 HB3 ASN 43 HB1 ASN 43 200.973 15.185 1.701 350 HD21 ASN 43 HD21 ASN 43 201.767 17.501 1.243 351 HD22 ASN 43 HD22 ASN 43 202.308 18.382 2.627 352 H GLN 44 HN GLN 44 203.420 14.165 5.112 353 HA GLN 44 HA GLN 44 206.035 13.439 3.975 354 HB2 GLN 44 HB2 GLN 44 205.229 15.273 6.226 355 HB3 GLN 44 HB1 GLN 44 206.857 14.628 6.112 356 HG2 GLN 44 HG2 GLN 44 207.430 16.010 4.450 357 HG3 GLN 44 HG1 GLN 44 205.870 15.847 3.646 358 HE21 GLN 44 HE21 GLN 44 207.475 18.230 4.142 359 HE22 GLN 44 HE22 GLN 44 206.468 19.307 5.043 360 H LEU 45 HN LEU 45 203.581 12.116 5.418 361 HA LEU 45 HA LEU 45 205.173 10.494 7.266 362 HB2 LEU 45 HB2 LEU 45 202.294 11.329 7.418 363 HB3 LEU 45 HB1 LEU 45 202.960 10.068 8.398 364 HG LEU 45 HG LEU 45 204.704 12.189 8.788 365 HD11 LEU 45 HD11 LEU 45 201.897 13.221 9.041 366 HD12 LEU 45 HD12 LEU 45 202.941 13.573 7.666 367 HD13 LEU 45 HD13 LEU 45 203.410 14.096 9.282 368 HD21 LEU 45 HD21 LEU 45 202.813 10.595 10.298 369 HD22 LEU 45 HD22 LEU 45 202.937 12.239 10.926 370 HD23 LEU 45 HD23 LEU 45 204.383 11.240 10.778 371 H TRP 46 HN TRP 46 204.845 8.288 7.310 372 HA TRP 46 HA TRP 46 203.195 7.155 5.155 373 HB2 TRP 46 HB2 TRP 46 206.045 6.435 5.835 374 HB3 TRP 46 HB1 TRP 46 205.024 5.555 4.708 375 HD1 TRP 46 HD1 TRP 46 206.094 9.277 5.103 376 HE1 TRP 46 HE1 TRP 46 206.687 10.175 2.762 377 HE3 TRP 46 HE3 TRP 46 205.135 5.075 2.349 378 HZ2 TRP 46 HZ2 TRP 46 206.738 9.228 0.103 379 HZ3 TRP 46 HZ3 TRP 46 205.478 5.156 -0.086 380 HH2 TRP 46 HH2 TRP 46 206.262 7.191 -1.184 381 H TYR 47 HN TYR 47 203.017 4.733 5.385 382 HA TYR 47 HA TYR 47 203.083 3.878 8.178 383 HB2 TYR 47 HB2 TYR 47 200.846 3.198 8.248 384 HB3 TYR 47 HB1 TYR 47 200.776 4.757 7.442 385 HD1 TYR 47 HD2 TYR 47 200.963 1.109 6.663 386 HD2 TYR 47 HD1 TYR 47 199.561 4.948 5.484 387 HE1 TYR 47 HE2 TYR 47 199.701 0.075 4.824 388 HE2 TYR 47 HE1 TYR 47 198.289 3.924 3.644 389 HH TYR 47 HH TYR 47 197.332 1.749 3.052 390 H THR 48 HN THR 48 202.941 1.495 8.405 391 HA THR 48 HA THR 48 204.164 0.196 6.070 392 HB THR 48 HB THR 48 204.985 -1.484 7.750 393 HG1 THR 48 HG1 THR 48 204.206 -1.369 9.675 394 HG21 THR 48 HG21 THR 48 206.432 0.347 9.029 395 HG22 THR 48 HG22 THR 48 205.818 1.346 7.711 396 HG23 THR 48 HG23 THR 48 206.734 -0.118 7.355 397 H ASP 49 HN ASP 49 203.230 -1.504 5.100 398 HA ASP 49 HA ASP 49 200.547 -2.184 5.864 399 HB2 ASP 49 HB2 ASP 49 201.351 -2.005 3.487 400 HB3 ASP 49 HB1 ASP 49 202.248 -3.499 3.737 401 H GLN 50 HN GLN 50 199.847 -4.498 5.985 402 HA GLN 50 HA GLN 50 201.069 -5.777 8.161 403 HB2 GLN 50 HB2 GLN 50 199.022 -6.682 6.149 404 HB3 GLN 50 HB1 GLN 50 199.587 -7.745 7.431 405 HG2 GLN 50 HG2 GLN 50 198.846 -5.194 8.515 406 HG3 GLN 50 HG1 GLN 50 197.529 -5.857 7.550 407 HE21 GLN 50 HE21 GLN 50 197.038 -8.194 7.997 408 HE22 GLN 50 HE22 GLN 50 197.056 -8.695 9.650 409 H GLN 51 HN GLN 51 201.676 -5.978 4.763 410 HA GLN 51 HA GLN 51 203.198 -8.450 5.035 411 HB2 GLN 51 HB2 GLN 51 202.462 -6.745 2.660 412 HB3 GLN 51 HB1 GLN 51 203.554 -8.119 2.544 413 HG2 GLN 51 HG2 GLN 51 201.644 -9.461 3.614 414 HG3 GLN 51 HG1 GLN 51 200.629 -8.089 3.171 415 HE21 GLN 51 HE21 GLN 51 199.483 -9.587 1.825 416 HE22 GLN 51 HE22 GLN 51 200.099 -9.994 0.264 417 H GLY 52 HN GLY 52 203.782 -5.235 5.559 418 HA2 GLY 52 HA2 GLY 52 205.924 -4.470 6.255 419 HA3 GLY 52 HA1 GLY 52 206.662 -5.658 5.192 420 H VAL 53 HN VAL 53 204.126 -4.073 3.620 421 HA VAL 53 HA VAL 53 206.045 -2.489 2.098 422 HB VAL 53 HB VAL 53 203.136 -3.019 1.484 423 HG11 VAL 53 HG11 VAL 53 204.420 -2.578 -0.880 424 HG12 VAL 53 HG12 VAL 53 205.263 -1.473 0.205 425 HG13 VAL 53 HG13 VAL 53 203.513 -1.365 0.023 426 HG21 VAL 53 HG21 VAL 53 205.422 -4.398 0.132 427 HG22 VAL 53 HG22 VAL 53 203.724 -4.867 0.210 428 HG23 VAL 53 HG23 VAL 53 204.752 -5.037 1.633 429 H ILE 54 HN ILE 54 206.263 -0.398 2.520 430 HA ILE 54 HA ILE 54 204.408 0.956 4.232 431 HB ILE 54 HB ILE 54 205.937 2.977 3.625 432 HG12 ILE 54 HG12 ILE 54 208.076 0.990 3.177 433 HG13 ILE 54 HG11 ILE 54 206.995 1.265 1.814 434 HG21 ILE 54 HG21 ILE 54 206.489 0.645 5.373 435 HG22 ILE 54 HG22 ILE 54 206.086 2.309 5.796 436 HG23 ILE 54 HG23 ILE 54 207.710 1.910 5.235 437 HD11 ILE 54 HD11 ILE 54 208.553 2.846 1.373 438 HD12 ILE 54 HD12 ILE 54 208.967 3.074 3.072 439 HD13 ILE 54 HD13 ILE 54 207.495 3.793 2.418 440 H ARG 55 HN ARG 55 203.298 2.854 3.772 441 HA ARG 55 HA ARG 55 202.991 3.692 1.011 442 HB2 ARG 55 HB2 ARG 55 200.553 2.910 2.605 443 HB3 ARG 55 HB1 ARG 55 200.626 3.377 0.918 444 HG2 ARG 55 HG2 ARG 55 201.914 0.892 2.016 445 HG3 ARG 55 HG1 ARG 55 200.293 0.939 1.323 446 HD2 ARG 55 HD2 ARG 55 202.416 2.144 -0.324 447 HD3 ARG 55 HD1 ARG 55 202.536 0.401 -0.088 448 HE ARG 55 HE ARG 55 200.692 1.754 -1.753 449 HH11 ARG 55 HH11 ARG 55 200.936 -0.973 0.410 450 HH12 ARG 55 HH12 ARG 55 199.684 -1.871 -0.379 451 HH21 ARG 55 HH21 ARG 55 199.044 0.575 -2.793 452 HH22 ARG 55 HH22 ARG 55 198.610 -0.993 -2.198 453 H SER 56 HN SER 56 202.659 5.844 0.893 454 HA SER 56 HA SER 56 202.863 7.381 3.266 455 HB2 SER 56 HB2 SER 56 203.376 7.843 0.604 456 HB3 SER 56 HB1 SER 56 201.965 8.853 0.906 457 HG SER 56 HG SER 56 203.959 8.961 2.826 458 H LYS 57 HN LYS 57 201.366 9.490 3.221 459 HA LYS 57 HA LYS 57 199.039 8.902 4.509 460 HB2 LYS 57 HB2 LYS 57 198.336 11.170 4.092 461 HB3 LYS 57 HB1 LYS 57 200.072 11.143 4.342 462 HG2 LYS 57 HG2 LYS 57 200.534 11.560 2.101 463 HG3 LYS 57 HG1 LYS 57 198.921 11.072 1.583 464 HD2 LYS 57 HD2 LYS 57 198.905 13.303 3.466 465 HD3 LYS 57 HD1 LYS 57 199.771 13.656 1.970 466 HE2 LYS 57 HE2 LYS 57 197.868 13.837 0.834 467 HE3 LYS 57 HE1 LYS 57 197.311 12.268 1.412 468 HZ1 LYS 57 HZ1 LYS 57 196.905 14.924 2.644 469 HZ2 LYS 57 HZ2 LYS 57 196.714 13.500 3.535 470 HZ3 LYS 57 HZ3 LYS 57 195.740 13.788 2.182 471 H LEU 58 HN LEU 58 199.605 8.776 1.098 472 HA LEU 58 HA LEU 58 197.120 9.164 0.004 473 HB2 LEU 58 HB2 LEU 58 199.214 7.135 -0.747 474 HB3 LEU 58 HB1 LEU 58 197.819 7.506 -1.742 475 HG LEU 58 HG LEU 58 199.403 8.832 -2.743 476 HD11 LEU 58 HD11 LEU 58 197.495 10.216 -1.746 477 HD12 LEU 58 HD12 LEU 58 198.935 11.077 -2.289 478 HD13 LEU 58 HD13 LEU 58 198.686 10.773 -0.570 479 HD21 LEU 58 HD21 LEU 58 200.662 9.876 -0.269 480 HD22 LEU 58 HD22 LEU 58 201.375 9.520 -1.842 481 HD23 LEU 58 HD23 LEU 58 201.004 8.207 -0.724 482 H ASN 59 HN ASN 59 198.079 6.612 2.108 483 HA ASN 59 HA ASN 59 196.685 5.194 3.272 484 HB2 ASN 59 HB2 ASN 59 194.772 6.668 2.120 485 HB3 ASN 59 HB1 ASN 59 194.527 5.167 1.231 486 HD21 ASN 59 HD21 ASN 59 192.437 5.239 2.320 487 HD22 ASN 59 HD22 ASN 59 192.304 4.577 3.910 488 H ASP 60 HN ASP 60 197.322 4.930 -0.135 489 HA ASP 60 HA ASP 60 198.080 2.198 0.183 490 HB2 ASP 60 HB2 ASP 60 195.421 2.442 -0.240 491 HB3 ASP 60 HB1 ASP 60 195.990 2.391 -1.906 492 H PHE 61 HN PHE 61 199.769 3.991 -0.551 493 HA PHE 61 HA PHE 61 200.225 3.441 -3.373 494 HB2 PHE 61 HB2 PHE 61 199.650 6.092 -2.262 495 HB3 PHE 61 HB1 PHE 61 201.126 6.030 -3.218 496 HD1 PHE 61 HD2 PHE 61 197.556 4.980 -3.355 497 HD2 PHE 61 HD1 PHE 61 200.989 6.286 -5.503 498 HE1 PHE 61 HE2 PHE 61 196.218 5.092 -5.416 499 HE2 PHE 61 HE1 PHE 61 199.658 6.401 -7.568 500 HZ PHE 61 HZ PHE 61 197.269 5.804 -7.527 501 H ALA 62 HN ALA 62 202.079 2.443 -3.413 502 HA ALA 62 HA ALA 62 204.155 3.094 -1.448 503 HB1 ALA 62 HB1 ALA 62 203.997 0.829 -1.371 504 HB2 ALA 62 HB2 ALA 62 205.177 0.965 -2.674 505 HB3 ALA 62 HB3 ALA 62 203.475 0.696 -3.050 506 H ILE 63 HN ILE 63 206.325 3.447 -2.088 507 HA ILE 63 HA ILE 63 206.576 4.984 -4.509 508 HB ILE 63 HB ILE 63 209.059 4.254 -3.086 509 HG12 ILE 63 HG12 ILE 63 208.094 6.333 -1.502 510 HG13 ILE 63 HG11 ILE 63 206.746 5.206 -1.590 511 HG21 ILE 63 HG21 ILE 63 208.995 5.906 -4.869 512 HG22 ILE 63 HG22 ILE 63 209.500 6.636 -3.347 513 HG23 ILE 63 HG23 ILE 63 207.859 6.883 -3.940 514 HD11 ILE 63 HD11 ILE 63 208.851 3.539 -1.109 515 HD12 ILE 63 HD12 ILE 63 207.759 4.186 0.116 516 HD13 ILE 63 HD13 ILE 63 209.300 4.983 -0.202 517 H ASP 64 HN ASP 64 207.980 4.529 -6.270 518 HA ASP 64 HA ASP 64 208.919 1.756 -6.415 519 HB2 ASP 64 HB2 ASP 64 208.010 1.409 -8.555 520 HB3 ASP 64 HB1 ASP 64 206.724 2.168 -7.625 521 H ALA 65 HN ALA 65 210.872 1.441 -7.204 522 HA ALA 65 HA ALA 65 212.362 3.804 -8.127 523 HB1 ALA 65 HB1 ALA 65 214.307 2.010 -7.823 524 HB2 ALA 65 HB2 ALA 65 213.118 1.314 -6.722 525 HB3 ALA 65 HB3 ALA 65 213.677 2.969 -6.485 526 H SER 66 HN SER 66 210.616 2.728 -9.994 527 HA SER 66 HA SER 66 211.950 0.897 -11.739 528 HB2 SER 66 HB2 SER 66 210.097 1.223 -13.232 529 HB3 SER 66 HB1 SER 66 209.452 1.187 -11.591 530 HG SER 66 HG SER 66 209.555 3.261 -13.415 531 H HIS 67 HN HIS 67 211.418 4.398 -11.755 532 HA HIS 67 HA HIS 67 213.149 4.669 -14.092 533 HB2 HIS 67 HB2 HIS 67 211.350 6.611 -12.644 534 HB3 HIS 67 HB1 HIS 67 212.424 7.086 -13.949 535 HD1 HIS 67 HD1 HIS 67 209.181 5.451 -13.265 536 HD2 HIS 67 HD2 HIS 67 211.688 6.085 -16.516 537 HE1 HIS 67 HE1 HIS 67 207.796 4.919 -15.295 538 HE2 HIS 67 HE2 HIS 67 209.363 5.218 -17.245 539 H GLU 68 HN GLU 68 214.614 6.699 -13.993 540 HA GLU 68 HA GLU 68 216.700 6.272 -12.270 541 HB2 GLU 68 HB2 GLU 68 215.970 9.000 -13.330 542 HB3 GLU 68 HB1 GLU 68 217.574 8.398 -12.938 543 HG2 GLU 68 HG2 GLU 68 217.201 6.673 -14.768 544 HG3 GLU 68 HG1 GLU 68 215.819 7.655 -15.253 545 H GLN 69 HN GLN 69 213.996 8.513 -11.843 546 HA GLN 69 HA GLN 69 214.896 9.039 -9.102 547 HB2 GLN 69 HB2 GLN 69 212.594 10.593 -9.765 548 HB3 GLN 69 HB1 GLN 69 214.229 11.141 -9.445 549 HG2 GLN 69 HG2 GLN 69 214.013 11.996 -11.514 550 HG3 GLN 69 HG1 GLN 69 214.546 10.386 -11.984 551 HE21 GLN 69 HE21 GLN 69 212.141 9.016 -11.406 552 HE22 GLN 69 HE22 GLN 69 210.960 9.504 -12.566 553 H ILE 70 HN ILE 70 213.524 8.667 -7.339 554 HA ILE 70 HA ILE 70 211.676 6.516 -7.736 555 HB ILE 70 HB ILE 70 211.816 7.930 -5.112 556 HG12 ILE 70 HG12 ILE 70 214.147 7.839 -5.835 557 HG13 ILE 70 HG11 ILE 70 213.861 6.677 -4.548 558 HG21 ILE 70 HG21 ILE 70 210.567 5.690 -5.938 559 HG22 ILE 70 HG22 ILE 70 211.106 5.955 -4.279 560 HG23 ILE 70 HG23 ILE 70 212.098 5.011 -5.389 561 HD11 ILE 70 HD11 ILE 70 214.969 6.225 -7.095 562 HD12 ILE 70 HD12 ILE 70 213.411 5.398 -7.048 563 HD13 ILE 70 HD13 ILE 70 214.633 5.050 -5.824 564 H GLU 71 HN GLU 71 209.528 6.461 -7.516 565 HA GLU 71 HA GLU 71 208.071 8.985 -7.137 566 HB2 GLU 71 HB2 GLU 71 207.427 7.040 -9.353 567 HB3 GLU 71 HB1 GLU 71 206.678 8.603 -9.060 568 HG2 GLU 71 HG2 GLU 71 208.108 9.448 -10.512 569 HG3 GLU 71 HG1 GLU 71 209.371 9.178 -9.312 570 H THR 72 HN THR 72 205.683 8.585 -6.954 571 HA THR 72 HA THR 72 205.230 6.157 -5.360 572 HB THR 72 HB THR 72 203.307 7.507 -4.392 573 HG1 THR 72 HG1 THR 72 204.693 9.670 -5.581 574 HG21 THR 72 HG21 THR 72 204.606 8.128 -2.694 575 HG22 THR 72 HG22 THR 72 205.596 9.170 -3.716 576 HG23 THR 72 HG23 THR 72 205.933 7.441 -3.630 577 H GLN 73 HN GLN 73 203.604 4.772 -5.897 578 HA GLN 73 HA GLN 73 201.428 5.497 -7.593 579 HB2 GLN 73 HB2 GLN 73 202.608 3.372 -9.076 580 HB3 GLN 73 HB1 GLN 73 202.231 4.999 -9.619 581 HG2 GLN 73 HG2 GLN 73 204.407 5.777 -9.030 582 HG3 GLN 73 HG1 GLN 73 204.789 4.256 -8.224 583 HE21 GLN 73 HE21 GLN 73 205.317 5.996 -10.930 584 HE22 GLN 73 HE22 GLN 73 205.694 4.726 -12.039 585 HA PRO 74 HA PRO 74 199.327 1.943 -6.040 586 HB2 PRO 74 HB2 PRO 74 199.427 0.652 -8.731 587 HB3 PRO 74 HB1 PRO 74 198.047 0.903 -7.655 588 HG2 PRO 74 HG2 PRO 74 198.390 2.443 -9.799 589 HG3 PRO 74 HG1 PRO 74 197.799 3.125 -8.272 590 HD2 PRO 74 HD2 PRO 74 200.492 3.340 -9.530 591 HD3 PRO 74 HD1 PRO 74 199.611 4.517 -8.536 592 H PHE 75 HN PHE 75 199.944 0.107 -4.988 593 HA PHE 75 HA PHE 75 202.526 -0.744 -4.860 594 HB2 PHE 75 HB2 PHE 75 200.974 -1.343 -3.150 595 HB3 PHE 75 HB1 PHE 75 199.969 -2.236 -4.285 596 HD1 PHE 75 HD1 PHE 75 200.602 -4.449 -5.034 597 HD2 PHE 75 HD2 PHE 75 203.007 -2.294 -2.262 598 HE1 PHE 75 HE1 PHE 75 201.803 -6.521 -4.471 599 HE2 PHE 75 HE2 PHE 75 204.213 -4.364 -1.697 600 HZ PHE 75 HZ PHE 75 203.612 -6.479 -2.802 601 H ASP 76 HN ASP 76 199.956 -2.563 -6.573 602 HA ASP 76 HA ASP 76 200.048 -3.993 -8.344 603 HB2 ASP 76 HB2 ASP 76 202.254 -2.108 -8.849 604 HB3 ASP 76 HB1 ASP 76 202.420 -3.659 -9.665 605 HA PRO 77 HA PRO 77 202.329 -7.233 -6.238 606 HB2 PRO 77 HB2 PRO 77 201.228 -9.325 -7.562 607 HB3 PRO 77 HB1 PRO 77 200.386 -8.451 -6.276 608 HG2 PRO 77 HG2 PRO 77 200.127 -8.162 -9.246 609 HG3 PRO 77 HG1 PRO 77 198.853 -8.217 -8.013 610 HD2 PRO 77 HD2 PRO 77 199.720 -5.897 -9.100 611 HD3 PRO 77 HD1 PRO 77 199.158 -6.008 -7.420 612 H ASN 78 HN ASN 78 202.172 -6.875 -9.742 613 HA ASN 78 HA ASN 78 204.394 -8.690 -10.139 614 HB2 ASN 78 HB2 ASN 78 202.500 -7.216 -11.894 615 HB3 ASN 78 HB1 ASN 78 204.070 -7.639 -12.571 616 HD21 ASN 78 HD21 ASN 78 204.613 -9.805 -12.836 617 HD22 ASN 78 HD22 ASN 78 203.423 -11.057 -12.808 618 H ASN 79 HN ASN 79 204.250 -5.594 -9.059 619 HA ASN 79 HA ASN 79 206.631 -4.739 -10.549 620 HB2 ASN 79 HB2 ASN 79 204.364 -3.335 -9.323 621 HB3 ASN 79 HB1 ASN 79 205.927 -2.590 -9.000 622 HD21 ASN 79 HD21 ASN 79 206.666 -1.233 -10.461 623 HD22 ASN 79 HD22 ASN 79 206.156 -1.136 -12.109 624 HA PRO 80 HA PRO 80 208.666 -5.916 -6.667 625 HB2 PRO 80 HB2 PRO 80 211.099 -6.346 -7.693 626 HB3 PRO 80 HB1 PRO 80 209.784 -7.510 -7.899 627 HG2 PRO 80 HG2 PRO 80 210.803 -5.447 -9.809 628 HG3 PRO 80 HG1 PRO 80 210.357 -7.134 -10.119 629 HD2 PRO 80 HD2 PRO 80 208.715 -5.013 -10.650 630 HD3 PRO 80 HD1 PRO 80 208.123 -6.643 -10.273 631 H LYS 81 HN LYS 81 208.466 -3.096 -8.036 632 HA LYS 81 HA LYS 81 210.800 -1.949 -6.679 633 HB2 LYS 81 HB2 LYS 81 209.299 -1.025 -9.127 634 HB3 LYS 81 HB1 LYS 81 210.476 -0.039 -8.284 635 HG2 LYS 81 HG2 LYS 81 211.826 -0.918 -9.873 636 HG3 LYS 81 HG1 LYS 81 211.986 -2.180 -8.649 637 HD2 LYS 81 HD2 LYS 81 211.405 -3.571 -10.312 638 HD3 LYS 81 HD1 LYS 81 209.766 -3.000 -9.995 639 HE2 LYS 81 HE2 LYS 81 209.709 -2.363 -12.130 640 HE3 LYS 81 HE1 LYS 81 210.820 -1.072 -11.674 641 HZ1 LYS 81 HZ1 LYS 81 212.068 -2.010 -13.278 642 HZ2 LYS 81 HZ2 LYS 81 211.331 -3.527 -13.144 643 HZ3 LYS 81 HZ3 LYS 81 212.528 -3.068 -12.041 644 H ARG 82 HN ARG 82 207.376 -2.076 -6.942 645 HA ARG 82 HA ARG 82 206.919 0.428 -5.547 646 HB2 ARG 82 HB2 ARG 82 205.128 -1.652 -6.750 647 HB3 ARG 82 HB1 ARG 82 204.491 -0.354 -5.749 648 HG2 ARG 82 HG2 ARG 82 204.961 1.263 -7.304 649 HG3 ARG 82 HG1 ARG 82 206.271 0.329 -8.031 650 HD2 ARG 82 HD2 ARG 82 204.866 -0.889 -9.339 651 HD3 ARG 82 HD1 ARG 82 203.525 -0.766 -8.205 652 HE ARG 82 HE ARG 82 203.932 1.779 -9.177 653 HH11 ARG 82 HH11 ARG 82 203.122 -1.343 -10.510 654 HH12 ARG 82 HH12 ARG 82 202.221 -0.683 -11.834 655 HH21 ARG 82 HH21 ARG 82 202.749 2.648 -10.920 656 HH22 ARG 82 HH22 ARG 82 202.009 1.582 -12.067 657 H ALA 83 HN ALA 83 208.262 -1.884 -4.217 658 HA ALA 83 HA ALA 83 206.509 -1.963 -1.862 659 HB1 ALA 83 HB1 ALA 83 207.662 -4.412 -1.693 660 HB2 ALA 83 HB2 ALA 83 207.432 -4.261 -3.435 661 HB3 ALA 83 HB3 ALA 83 206.054 -4.108 -2.348 662 H TRP 84 HN TRP 84 207.720 -0.616 -0.620 663 HA TRP 84 HA TRP 84 210.565 -1.294 -0.290 664 HB2 TRP 84 HB2 TRP 84 209.105 1.294 0.260 665 HB3 TRP 84 HB1 TRP 84 210.823 1.019 0.544 666 HD1 TRP 84 HD1 TRP 84 208.364 0.816 -2.461 667 HE1 TRP 84 HE1 TRP 84 209.631 1.580 -4.567 668 HE3 TRP 84 HE3 TRP 84 212.961 1.609 -0.388 669 HZ2 TRP 84 HZ2 TRP 84 212.226 2.428 -5.245 670 HZ3 TRP 84 HZ3 TRP 84 214.783 2.397 -1.832 671 HH2 TRP 84 HH2 TRP 84 214.424 2.798 -4.216 672 H ILE 85 HN ILE 85 211.422 -1.716 1.641 673 HA ILE 85 HA ILE 85 209.559 -1.897 3.925 674 HB ILE 85 HB ILE 85 211.002 -3.673 4.820 675 HG12 ILE 85 HG12 ILE 85 212.450 -4.434 2.497 676 HG13 ILE 85 HG11 ILE 85 212.792 -2.732 2.790 677 HG21 ILE 85 HG21 ILE 85 209.557 -3.880 2.265 678 HG22 ILE 85 HG22 ILE 85 209.329 -4.760 3.777 679 HG23 ILE 85 HG23 ILE 85 210.607 -5.240 2.661 680 HD11 ILE 85 HD11 ILE 85 213.165 -5.001 4.727 681 HD12 ILE 85 HD12 ILE 85 213.418 -3.297 5.105 682 HD13 ILE 85 HD13 ILE 85 214.428 -4.091 3.897 683 H VAL 86 HN VAL 86 210.458 -1.450 6.063 684 HA VAL 86 HA VAL 86 212.565 0.581 5.897 685 HB VAL 86 HB VAL 86 210.751 0.107 8.253 686 HG11 VAL 86 HG11 VAL 86 212.551 1.455 8.889 687 HG12 VAL 86 HG12 VAL 86 211.260 2.602 8.527 688 HG13 VAL 86 HG13 VAL 86 212.554 2.332 7.359 689 HG21 VAL 86 HG21 VAL 86 210.239 1.654 5.739 690 HG22 VAL 86 HG22 VAL 86 209.508 2.144 7.268 691 HG23 VAL 86 HG23 VAL 86 209.172 0.546 6.602 692 H SER 87 HN SER 87 214.487 0.251 6.766 693 HA SER 87 HA SER 87 214.818 -1.980 8.663 694 HB2 SER 87 HB2 SER 87 215.862 -2.624 6.593 695 HB3 SER 87 HB1 SER 87 216.670 -1.063 6.453 696 HG SER 87 HG SER 87 217.223 -3.209 8.183 697 H GLY 88 HN GLY 88 214.745 -0.762 10.532 698 HA2 GLY 88 HA2 GLY 88 215.683 0.470 12.233 699 HA3 GLY 88 HA1 GLY 88 217.137 0.606 11.255 700 H ASN 89 HN ASN 89 217.547 2.446 10.177 701 HA ASN 89 HA ASN 89 215.518 4.574 10.340 702 HB2 ASN 89 HB2 ASN 89 217.319 6.164 10.680 703 HB3 ASN 89 HB1 ASN 89 217.446 4.887 11.884 704 HD21 ASN 89 HD21 ASN 89 218.655 5.804 8.671 705 HD22 ASN 89 HD22 ASN 89 220.232 5.135 8.886 706 H THR 90 HN THR 90 216.025 2.679 8.137 707 HA THR 90 HA THR 90 216.470 4.676 6.069 708 HB THR 90 HB THR 90 217.871 2.677 4.966 709 HG1 THR 90 HG1 THR 90 218.103 1.274 6.552 710 HG21 THR 90 HG21 THR 90 218.838 4.877 6.742 711 HG22 THR 90 HG22 THR 90 218.867 4.778 4.981 712 HG23 THR 90 HG23 THR 90 219.955 3.774 5.939 713 H ILE 91 HN ILE 91 215.560 4.243 4.111 714 HA ILE 91 HA ILE 91 213.523 2.135 4.095 715 HB ILE 91 HB ILE 91 213.908 4.274 1.998 716 HG12 ILE 91 HG12 ILE 91 213.676 5.418 4.132 717 HG13 ILE 91 HG11 ILE 91 212.182 5.580 3.215 718 HG21 ILE 91 HG21 ILE 91 211.803 2.288 2.683 719 HG22 ILE 91 HG22 ILE 91 212.411 2.795 1.108 720 HG23 ILE 91 HG23 ILE 91 211.305 3.836 2.002 721 HD11 ILE 91 HD11 ILE 91 212.731 3.999 5.678 722 HD12 ILE 91 HD12 ILE 91 211.438 3.501 4.586 723 HD13 ILE 91 HD13 ILE 91 211.404 5.105 5.320 724 H ALA 92 HN ALA 92 213.949 0.265 3.093 725 HA ALA 92 HA ALA 92 215.954 0.306 0.928 726 HB1 ALA 92 HB1 ALA 92 216.365 -0.893 3.284 727 HB2 ALA 92 HB2 ALA 92 217.034 -1.499 1.769 728 HB3 ALA 92 HB3 ALA 92 215.565 -2.213 2.432 729 H GLN 93 HN GLN 93 215.614 -0.927 -0.876 730 HA GLN 93 HA GLN 93 212.960 -1.443 -1.667 731 HB2 GLN 93 HB2 GLN 93 215.183 -0.993 -3.010 732 HB3 GLN 93 HB1 GLN 93 215.288 -2.746 -3.017 733 HG2 GLN 93 HG2 GLN 93 214.039 -2.686 -4.842 734 HG3 GLN 93 HG1 GLN 93 212.691 -2.268 -3.787 735 HE21 GLN 93 HE21 GLN 93 215.480 -0.274 -4.621 736 HE22 GLN 93 HE22 GLN 93 214.582 0.965 -5.418 737 H LEU 94 HN LEU 94 211.887 -3.371 -2.064 738 HA LEU 94 HA LEU 94 212.228 -5.409 -0.170 739 HB2 LEU 94 HB2 LEU 94 210.399 -6.525 -1.195 740 HB3 LEU 94 HB1 LEU 94 210.073 -4.810 -1.255 741 HG LEU 94 HG LEU 94 211.080 -6.429 -3.600 742 HD11 LEU 94 HD11 LEU 94 208.554 -5.666 -4.233 743 HD12 LEU 94 HD12 LEU 94 208.396 -6.030 -2.515 744 HD13 LEU 94 HD13 LEU 94 209.009 -7.257 -3.623 745 HD21 LEU 94 HD21 LEU 94 210.630 -3.573 -3.156 746 HD22 LEU 94 HD22 LEU 94 209.817 -4.205 -4.578 747 HD23 LEU 94 HD23 LEU 94 211.560 -4.387 -4.406 748 H SER 95 HN SER 95 212.711 -5.626 -3.718 749 HA SER 95 HA SER 95 213.935 -8.189 -3.511 750 HB2 SER 95 HB2 SER 95 212.643 -7.162 -5.505 751 HB3 SER 95 HB1 SER 95 214.183 -6.410 -5.919 752 HG SER 95 HG SER 95 213.936 -9.187 -5.444 753 H ASP 96 HN ASP 96 215.160 -5.199 -2.754 754 HA ASP 96 HA ASP 96 217.883 -6.208 -3.050 755 HB2 ASP 96 HB2 ASP 96 217.352 -4.671 -4.974 756 HB3 ASP 96 HB1 ASP 96 217.139 -3.377 -3.798 757 H ARG 97 HN ARG 97 217.918 -6.561 -0.822 758 HA ARG 97 HA ARG 97 217.238 -4.541 1.065 759 HB2 ARG 97 HB2 ARG 97 218.640 -7.188 1.197 760 HB3 ARG 97 HB1 ARG 97 218.690 -6.107 2.582 761 HG2 ARG 97 HG2 ARG 97 216.155 -7.063 1.274 762 HG3 ARG 97 HG1 ARG 97 216.895 -7.815 2.688 763 HD2 ARG 97 HD2 ARG 97 216.806 -5.366 3.634 764 HD3 ARG 97 HD1 ARG 97 215.535 -5.174 2.427 765 HE ARG 97 HE ARG 97 214.158 -6.430 3.745 766 HH11 ARG 97 HH11 ARG 97 217.454 -6.979 4.750 767 HH12 ARG 97 HH12 ARG 97 217.008 -7.927 6.128 768 HH21 ARG 97 HH21 ARG 97 213.569 -7.676 5.559 769 HH22 ARG 97 HH22 ARG 97 214.802 -8.322 6.588 770 H ASP 98 HN ASP 98 219.919 -5.080 -0.955 771 HA ASP 98 HA ASP 98 221.811 -3.672 0.742 772 HB2 ASP 98 HB2 ASP 98 222.051 -4.858 -2.026 773 HB3 ASP 98 HB1 ASP 98 223.363 -4.017 -1.207 774 H ILE 99 HN ILE 99 219.296 -2.552 -0.795 775 HA ILE 99 HA ILE 99 220.667 -0.110 -1.657 776 HB ILE 99 HB ILE 99 219.680 -1.664 -3.549 777 HG12 ILE 99 HG12 ILE 99 219.180 1.315 -3.462 778 HG13 ILE 99 HG11 ILE 99 220.715 0.548 -3.855 779 HG21 ILE 99 HG21 ILE 99 217.405 -1.583 -2.304 780 HG22 ILE 99 HG22 ILE 99 217.436 -1.459 -4.062 781 HG23 ILE 99 HG23 ILE 99 217.236 -0.009 -3.079 782 HD11 ILE 99 HD11 ILE 99 219.700 -0.475 -5.823 783 HD12 ILE 99 HD12 ILE 99 219.563 1.283 -5.857 784 HD13 ILE 99 HD13 ILE 99 218.164 0.298 -5.430 785 H VAL 100 HN VAL 100 219.740 1.762 -0.963 786 HA VAL 100 HA VAL 100 217.063 1.701 0.179 787 HB VAL 100 HB VAL 100 217.822 2.822 2.260 788 HG11 VAL 100 HG11 VAL 100 217.336 0.743 2.912 789 HG12 VAL 100 HG12 VAL 100 219.083 0.559 3.053 790 HG13 VAL 100 HG13 VAL 100 218.253 0.005 1.603 791 HG21 VAL 100 HG21 VAL 100 220.532 1.755 2.125 792 HG22 VAL 100 HG22 VAL 100 219.957 3.322 2.696 793 HG23 VAL 100 HG23 VAL 100 220.229 3.056 0.974 794 H LEU 101 HN LEU 101 216.012 3.621 0.039 795 HA LEU 101 HA LEU 101 216.777 5.561 -1.719 796 HB2 LEU 101 HB2 LEU 101 215.113 6.089 0.729 797 HB3 LEU 101 HB1 LEU 101 215.115 7.018 -0.746 798 HG LEU 101 HG LEU 101 214.374 4.137 -0.826 799 HD11 LEU 101 HD11 LEU 101 213.074 5.695 0.915 800 HD12 LEU 101 HD12 LEU 101 212.280 4.430 -0.022 801 HD13 LEU 101 HD13 LEU 101 212.195 6.108 -0.556 802 HD21 LEU 101 HD21 LEU 101 212.890 5.080 -2.665 803 HD22 LEU 101 HD22 LEU 101 214.628 5.071 -2.961 804 HD23 LEU 101 HD23 LEU 101 213.821 6.568 -2.492 805 H ASP 102 HN ASP 102 217.457 7.665 -1.571 806 HA ASP 102 HA ASP 102 218.843 8.582 0.789 807 HB2 ASP 102 HB2 ASP 102 220.401 6.978 -0.198 808 HB3 ASP 102 HB1 ASP 102 220.283 7.800 -1.745 809 H ILE 103 HN ILE 103 219.964 10.704 0.300 810 HA ILE 103 HA ILE 103 218.197 12.316 -1.360 811 HB ILE 103 HB ILE 103 220.507 13.232 0.359 812 HG12 ILE 103 HG12 ILE 103 218.381 13.992 1.775 813 HG13 ILE 103 HG11 ILE 103 217.666 12.586 0.991 814 HG21 ILE 103 HG21 ILE 103 218.146 14.853 -0.543 815 HG22 ILE 103 HG22 ILE 103 219.622 14.731 -1.502 816 HG23 ILE 103 HG23 ILE 103 219.679 15.415 0.123 817 HD11 ILE 103 HD11 ILE 103 219.104 11.114 2.042 818 HD12 ILE 103 HD12 ILE 103 218.774 12.311 3.294 819 HD13 ILE 103 HD13 ILE 103 220.292 12.368 2.397 820 H ILE 104 HN ILE 104 218.680 12.786 -3.436 821 HA ILE 104 HA ILE 104 221.175 12.047 -4.572 822 HB ILE 104 HB ILE 104 219.026 13.800 -5.768 823 HG12 ILE 104 HG12 ILE 104 218.143 11.623 -5.022 824 HG13 ILE 104 HG11 ILE 104 218.150 11.753 -6.777 825 HG21 ILE 104 HG21 ILE 104 221.264 13.837 -6.877 826 HG22 ILE 104 HG22 ILE 104 219.956 13.236 -7.896 827 HG23 ILE 104 HG23 ILE 104 221.091 12.105 -7.160 828 HD11 ILE 104 HD11 ILE 104 219.423 9.954 -6.968 829 HD12 ILE 104 HD12 ILE 104 219.198 9.696 -5.238 830 HD13 ILE 104 HD13 ILE 104 220.603 10.589 -5.821 831 H LYS 105 HN LYS 105 222.934 13.224 -5.071 832 HA LYS 105 HA LYS 105 224.344 15.003 -5.331 833 HB2 LYS 105 HB2 LYS 105 221.887 16.190 -5.763 834 HB3 LYS 105 HB1 LYS 105 222.574 17.158 -4.466 835 HG2 LYS 105 HG2 LYS 105 224.611 17.467 -5.844 836 HG3 LYS 105 HG1 LYS 105 223.802 16.612 -7.159 837 HD2 LYS 105 HD2 LYS 105 222.265 18.317 -7.492 838 HD3 LYS 105 HD1 LYS 105 222.492 18.973 -5.870 839 HE2 LYS 105 HE2 LYS 105 224.607 19.892 -6.450 840 HE3 LYS 105 HE1 LYS 105 224.637 19.019 -7.981 841 HZ1 LYS 105 HZ1 LYS 105 222.960 21.335 -7.226 842 HZ2 LYS 105 HZ2 LYS 105 222.570 20.349 -8.544 843 HZ3 LYS 105 HZ3 LYS 105 224.036 21.194 -8.525 844 H SER 106 HN SER 106 222.776 14.106 -2.530 845 HA SER 106 HA SER 106 223.117 14.455 -0.300 846 HB2 SER 106 HB2 SER 106 225.987 14.955 -1.085 847 HB3 SER 106 HB1 SER 106 225.376 14.203 0.388 848 HG SER 106 HG SER 106 226.087 13.010 -1.845 849 H ASP 107 HN ASP 107 222.446 16.846 -1.856 850 HA ASP 107 HA ASP 107 223.922 18.951 -0.461 851 HB2 ASP 107 HB2 ASP 107 222.219 18.838 -2.902 852 HB3 ASP 107 HB1 ASP 107 222.256 20.352 -2.002 853 H LYS 108 HN LYS 108 222.803 20.648 0.640 854 HA LYS 108 HA LYS 108 220.632 19.666 2.258 855 HB2 LYS 108 HB2 LYS 108 222.661 21.636 2.499 856 HB3 LYS 108 HB1 LYS 108 221.118 22.462 2.668 857 HG2 LYS 108 HG2 LYS 108 221.498 21.891 4.835 858 HG3 LYS 108 HG1 LYS 108 220.612 20.461 4.303 859 HD2 LYS 108 HD2 LYS 108 222.352 19.318 5.143 860 HD3 LYS 108 HD1 LYS 108 223.181 19.798 3.660 861 HE2 LYS 108 HE2 LYS 108 224.717 20.599 5.106 862 HE3 LYS 108 HE1 LYS 108 223.623 21.981 5.166 863 HZ1 LYS 108 HZ1 LYS 108 222.567 20.399 7.040 864 HZ2 LYS 108 HZ2 LYS 108 223.713 21.600 7.362 865 HZ3 LYS 108 HZ3 LYS 108 224.202 19.990 7.190 866 H GLU 109 HN GLU 109 220.866 21.354 -0.663 867 HA GLU 109 HA GLU 109 218.848 23.213 -0.660 868 HB2 GLU 109 HB2 GLU 109 220.167 21.556 -2.677 869 HB3 GLU 109 HB1 GLU 109 218.526 22.005 -3.121 870 HG2 GLU 109 HG2 GLU 109 219.104 24.108 -3.547 871 HG3 GLU 109 HG1 GLU 109 220.043 24.241 -2.061 872 H ALA 110 HN ALA 110 216.746 23.157 -0.253 873 HA ALA 110 HA ALA 110 215.365 20.759 0.331 874 HB1 ALA 110 HB1 ALA 110 213.702 23.095 -0.288 875 HB2 ALA 110 HB2 ALA 110 214.963 23.384 0.910 876 HB3 ALA 110 HB3 ALA 110 213.777 22.106 1.170 877 H GLY 111 HN GLY 111 213.426 19.948 -0.731 878 HA2 GLY 111 HA2 GLY 111 212.162 19.339 -2.555 879 HA3 GLY 111 HA1 GLY 111 212.819 20.723 -3.418 880 H ALA 112 HN ALA 112 215.228 18.751 -2.061 881 HA ALA 112 HA ALA 112 216.182 17.992 -4.639 882 HB1 ALA 112 HB1 ALA 112 217.743 16.566 -2.996 883 HB2 ALA 112 HB2 ALA 112 217.119 17.749 -1.847 884 HB3 ALA 112 HB3 ALA 112 217.976 18.289 -3.291 885 H HIS 113 HN HIS 113 215.918 16.154 -5.724 886 HA HIS 113 HA HIS 113 213.938 14.298 -4.977 887 HB2 HIS 113 HB2 HIS 113 216.079 14.163 -7.106 888 HB3 HIS 113 HB1 HIS 113 214.781 12.985 -6.944 889 HD1 HIS 113 HD1 HIS 113 215.603 15.990 -8.694 890 HD2 HIS 113 HD2 HIS 113 212.117 14.373 -7.113 891 HE1 HIS 113 HE1 HIS 113 213.721 17.192 -9.850 892 HE2 HIS 113 HE2 HIS 113 211.621 16.137 -8.939 893 H ILE 114 HN ILE 114 214.431 11.873 -5.086 894 HA ILE 114 HA ILE 114 216.850 11.183 -3.593 895 HB ILE 114 HB ILE 114 215.246 9.519 -2.365 896 HG12 ILE 114 HG12 ILE 114 213.274 10.396 -3.723 897 HG13 ILE 114 HG11 ILE 114 213.037 10.236 -1.988 898 HG21 ILE 114 HG21 ILE 114 216.141 10.713 -0.722 899 HG22 ILE 114 HG22 ILE 114 214.779 11.823 -0.867 900 HG23 ILE 114 HG23 ILE 114 216.269 12.136 -1.755 901 HD11 ILE 114 HD11 ILE 114 213.750 12.760 -1.982 902 HD12 ILE 114 HD12 ILE 114 212.100 12.278 -2.368 903 HD13 ILE 114 HD13 ILE 114 213.225 12.680 -3.663 904 H CYS 115 HN CYS 115 217.280 8.807 -3.618 905 HA CYS 115 HA CYS 115 215.902 7.247 -5.611 906 HB2 CYS 115 HB2 CYS 115 217.720 8.694 -6.754 907 HB3 CYS 115 HB1 CYS 115 218.864 7.629 -5.946 908 HG CYS 115 HG CYS 115 216.870 6.681 -8.135 909 H ALA 116 HN ALA 116 216.950 4.969 -5.682 910 HA ALA 116 HA ALA 116 217.709 4.300 -2.935 911 HB1 ALA 116 HB1 ALA 116 216.246 2.924 -5.046 912 HB2 ALA 116 HB2 ALA 116 216.223 2.670 -3.302 913 HB3 ALA 116 HB3 ALA 116 217.475 1.913 -4.286 914 H TRP 117 HN TRP 117 219.753 3.861 -2.451 915 HA TRP 117 HA TRP 117 221.535 3.005 -4.623 916 HB2 TRP 117 HB2 TRP 117 221.914 5.377 -4.325 917 HB3 TRP 117 HB1 TRP 117 222.173 5.152 -2.602 918 HD1 TRP 117 HD1 TRP 117 224.597 4.667 -1.841 919 HE1 TRP 117 HE1 TRP 117 226.830 4.261 -3.056 920 HE3 TRP 117 HE3 TRP 117 222.853 4.248 -6.629 921 HZ2 TRP 117 HZ2 TRP 117 227.732 3.821 -5.694 922 HZ3 TRP 117 HZ3 TRP 117 224.467 3.836 -8.440 923 HH2 TRP 117 HH2 TRP 117 226.856 3.627 -7.981 924 H LYS 118 HN LYS 118 223.553 2.116 -3.916 925 HA LYS 118 HA LYS 118 223.212 0.038 -2.055 926 HB2 LYS 118 HB2 LYS 118 224.782 -0.122 -3.922 927 HB3 LYS 118 HB1 LYS 118 225.767 1.156 -3.224 928 HG2 LYS 118 HG2 LYS 118 225.316 -1.047 -1.381 929 HG3 LYS 118 HG1 LYS 118 226.119 -1.547 -2.870 930 HD2 LYS 118 HD2 LYS 118 227.261 0.913 -1.932 931 HD3 LYS 118 HD1 LYS 118 227.260 -0.278 -0.630 932 HE2 LYS 118 HE2 LYS 118 228.081 -1.436 -3.159 933 HE3 LYS 118 HE1 LYS 118 229.101 -0.075 -2.697 934 HZ1 LYS 118 HZ1 LYS 118 229.430 -1.143 -0.530 935 HZ2 LYS 118 HZ2 LYS 118 229.983 -2.111 -1.801 936 HZ3 LYS 118 HZ3 LYS 118 228.516 -2.471 -1.042 937 H GLN 119 HN GLN 119 223.231 0.107 0.095 938 HA GLN 119 HA GLN 119 223.845 2.395 1.583 939 HB2 GLN 119 HB2 GLN 119 222.374 0.588 2.383 940 HB3 GLN 119 HB1 GLN 119 223.765 -0.480 2.517 941 HG2 GLN 119 HG2 GLN 119 224.655 0.714 4.317 942 HG3 GLN 119 HG1 GLN 119 223.636 2.118 4.003 943 HE21 GLN 119 HE21 GLN 119 221.273 1.741 4.240 944 HE22 GLN 119 HE22 GLN 119 220.750 0.723 5.534 945 H HIS 120 HN HIS 120 225.697 3.245 2.258 946 HA HIS 120 HA HIS 120 228.049 1.508 2.512 947 HB2 HIS 120 HB2 HIS 120 229.430 3.393 1.550 948 HB3 HIS 120 HB1 HIS 120 228.394 2.555 0.401 949 HD1 HIS 120 HD1 HIS 120 228.671 5.813 2.272 950 HD2 HIS 120 HD2 HIS 120 226.501 4.128 -0.845 951 HE1 HIS 120 HE1 HIS 120 227.420 7.721 1.214 952 HE2 HIS 120 HE2 HIS 120 226.173 6.690 -0.716 953 H GLY 121 HN GLY 121 226.012 3.225 4.218 954 HA2 GLY 121 HA2 GLY 121 226.221 3.984 6.400 955 HA3 GLY 121 HA1 GLY 121 227.965 3.855 6.247 956 H GLY 122 HN GLY 122 226.706 5.595 3.659 957 HA2 GLY 122 HA2 GLY 122 227.983 7.987 4.406 958 HA3 GLY 122 HA1 GLY 122 226.830 7.814 3.092 959 HA PRO 123 HA PRO 123 225.086 10.060 7.009 960 HB2 PRO 123 HB2 PRO 123 225.517 12.655 6.271 961 HB3 PRO 123 HB1 PRO 123 226.610 11.741 7.315 962 HG2 PRO 123 HG2 PRO 123 226.811 12.290 4.380 963 HG3 PRO 123 HG1 PRO 123 228.082 12.333 5.617 964 HD2 PRO 123 HD2 PRO 123 227.792 10.243 3.943 965 HD3 PRO 123 HD1 PRO 123 228.330 10.034 5.623 966 H ASN 124 HN ASN 124 225.062 10.647 3.559 967 HA ASN 124 HA ASN 124 222.537 11.997 3.520 968 HB2 ASN 124 HB2 ASN 124 222.685 11.675 1.059 969 HB3 ASN 124 HB1 ASN 124 224.129 12.413 1.745 970 HD21 ASN 124 HD21 ASN 124 224.149 11.209 -0.727 971 HD22 ASN 124 HD22 ASN 124 225.116 9.779 -0.659 972 H GLN 125 HN GLN 125 223.315 8.834 4.138 973 HA GLN 125 HA GLN 125 220.864 7.785 2.905 974 HB2 GLN 125 HB2 GLN 125 222.959 6.084 4.222 975 HB3 GLN 125 HB1 GLN 125 221.800 5.637 2.980 976 HG2 GLN 125 HG2 GLN 125 223.593 7.713 2.065 977 HG3 GLN 125 HG1 GLN 125 224.467 6.289 2.622 978 HE21 GLN 125 HE21 GLN 125 222.803 4.265 1.934 979 HE22 GLN 125 HE22 GLN 125 222.628 4.192 0.217 980 H LYS 126 HN LYS 126 221.426 9.309 5.601 981 HA LYS 126 HA LYS 126 220.141 7.351 7.379 982 HB2 LYS 126 HB2 LYS 126 221.217 9.961 8.364 983 HB3 LYS 126 HB1 LYS 126 221.083 8.425 9.204 984 HG2 LYS 126 HG2 LYS 126 222.991 8.824 6.924 985 HG3 LYS 126 HG1 LYS 126 223.412 9.236 8.587 986 HD2 LYS 126 HD2 LYS 126 222.394 6.723 8.880 987 HD3 LYS 126 HD1 LYS 126 223.164 6.614 7.296 988 HE2 LYS 126 HE2 LYS 126 225.118 7.858 8.612 989 HE3 LYS 126 HE1 LYS 126 224.365 7.033 9.975 990 HZ1 LYS 126 HZ1 LYS 126 224.941 4.996 9.182 991 HZ2 LYS 126 HZ2 LYS 126 226.226 5.893 8.545 992 HZ3 LYS 126 HZ3 LYS 126 224.917 5.476 7.559 993 H PHE 127 HN PHE 127 218.193 7.753 8.356 994 HA PHE 127 HA PHE 127 216.895 10.334 7.891 995 HB2 PHE 127 HB2 PHE 127 215.420 7.740 7.484 996 HB3 PHE 127 HB1 PHE 127 214.892 9.362 7.062 997 HD1 PHE 127 HD1 PHE 127 217.043 10.487 5.558 998 HD2 PHE 127 HD2 PHE 127 215.613 6.480 5.584 999 HE1 PHE 127 HE1 PHE 127 217.896 10.171 3.273 1000 HE2 PHE 127 HE2 PHE 127 216.466 6.156 3.300 1001 HZ PHE 127 HZ PHE 127 217.608 8.003 2.142 1002 H ILE 128 HN ILE 128 215.138 10.752 9.358 1003 HA ILE 128 HA ILE 128 215.339 9.141 11.813 1004 HB ILE 128 HB ILE 128 214.176 11.861 11.914 1005 HG12 ILE 128 HG12 ILE 128 217.161 11.374 11.770 1006 HG13 ILE 128 HG11 ILE 128 216.204 12.134 10.503 1007 HG21 ILE 128 HG21 ILE 128 216.196 10.900 13.838 1008 HG22 ILE 128 HG22 ILE 128 214.675 10.009 13.778 1009 HG23 ILE 128 HG23 ILE 128 214.670 11.740 14.117 1010 HD11 ILE 128 HD11 ILE 128 215.580 13.894 12.183 1011 HD12 ILE 128 HD12 ILE 128 217.276 13.865 11.700 1012 HD13 ILE 128 HD13 ILE 128 216.790 13.188 13.254 1013 H ILE 129 HN ILE 129 213.553 8.340 12.710 1014 HA ILE 129 HA ILE 129 211.024 8.773 11.281 1015 HB ILE 129 HB ILE 129 211.801 6.344 12.892 1016 HG12 ILE 129 HG12 ILE 129 213.256 6.522 10.947 1017 HG13 ILE 129 HG11 ILE 129 212.089 5.227 10.700 1018 HG21 ILE 129 HG21 ILE 129 209.497 6.933 11.051 1019 HG22 ILE 129 HG22 ILE 129 209.433 6.619 12.785 1020 HG23 ILE 129 HG23 ILE 129 209.888 5.329 11.672 1021 HD11 ILE 129 HD11 ILE 129 212.516 6.675 8.713 1022 HD12 ILE 129 HD12 ILE 129 211.748 7.999 9.591 1023 HD13 ILE 129 HD13 ILE 129 210.823 6.551 9.191 1024 H GLU 130 HN GLU 130 209.171 9.199 12.398 1025 HA GLU 130 HA GLU 130 209.251 9.213 15.322 1026 HB2 GLU 130 HB2 GLU 130 209.709 11.531 13.986 1027 HB3 GLU 130 HB1 GLU 130 207.956 11.576 14.111 1028 HG2 GLU 130 HG2 GLU 130 208.048 11.466 16.488 1029 HG3 GLU 130 HG1 GLU 130 209.782 11.151 16.460 1030 H SER 131 HN SER 131 207.667 7.798 15.746 1031 HA SER 131 HA SER 131 205.449 7.276 14.118 1032 HB2 SER 131 HB2 SER 131 206.528 6.050 16.271 1033 HB3 SER 131 HB1 SER 131 205.127 6.808 17.026 1034 HG SER 131 HG SER 131 205.166 4.592 15.636 1035 H GLU 132 HN GLU 132 203.961 8.736 13.590 1036 HA GLU 132 HA GLU 132 202.469 10.455 13.718 1037 HB2 GLU 132 HB2 GLU 132 201.218 8.747 14.915 1038 HB3 GLU 132 HB1 GLU 132 202.017 9.178 16.420 1039 HG2 GLU 132 HG2 GLU 132 199.811 10.103 16.409 1040 HG3 GLU 132 HG1 GLU 132 200.983 11.415 16.287 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 189.196 2.807 9.520 2 H2 MET 1 HT2 MET 1 190.072 2.645 10.987 3 H3 MET 1 HT3 MET 1 188.926 1.451 10.533 4 HA MET 1 HA MET 1 191.049 0.604 10.119 5 HB2 MET 1 HB2 MET 1 189.804 1.571 7.537 6 HB3 MET 1 HB1 MET 1 190.829 0.157 7.736 7 HG2 MET 1 HG2 MET 1 188.088 0.547 8.915 8 HG3 MET 1 HG1 MET 1 188.502 -0.480 7.543 9 HE1 MET 1 HE1 MET 1 187.082 -2.451 9.164 10 HE2 MET 1 HE2 MET 1 188.348 -3.658 9.391 11 HE3 MET 1 HE3 MET 1 188.242 -2.767 7.873 12 H LYS 2 HN LYS 2 192.730 1.947 10.870 13 HA LYS 2 HA LYS 2 194.134 3.344 8.730 14 HB2 LYS 2 HB2 LYS 2 192.710 4.745 10.696 15 HB3 LYS 2 HB1 LYS 2 194.394 4.846 11.191 16 HG2 LYS 2 HG2 LYS 2 194.438 6.623 9.831 17 HG3 LYS 2 HG1 LYS 2 194.612 5.416 8.556 18 HD2 LYS 2 HD2 LYS 2 192.479 5.696 7.812 19 HD3 LYS 2 HD1 LYS 2 191.855 6.083 9.417 20 HE2 LYS 2 HE2 LYS 2 191.803 8.208 8.742 21 HE3 LYS 2 HE1 LYS 2 193.562 8.182 8.857 22 HZ1 LYS 2 HZ1 LYS 2 192.827 8.988 6.704 23 HZ2 LYS 2 HZ2 LYS 2 191.980 7.551 6.423 24 HZ3 LYS 2 HZ3 LYS 2 193.668 7.529 6.532 25 HA PRO 3 HA PRO 3 197.278 0.860 10.773 26 HB2 PRO 3 HB2 PRO 3 199.275 1.381 9.014 27 HB3 PRO 3 HB1 PRO 3 197.975 0.233 8.674 28 HG2 PRO 3 HG2 PRO 3 198.271 3.076 7.784 29 HG3 PRO 3 HG1 PRO 3 197.744 1.661 6.853 30 HD2 PRO 3 HD2 PRO 3 196.004 3.467 7.878 31 HD3 PRO 3 HD1 PRO 3 195.602 1.747 7.698 32 H LYS 4 HN LYS 4 199.806 1.385 11.093 33 HA LYS 4 HA LYS 4 199.835 3.851 12.635 34 HB2 LYS 4 HB2 LYS 4 202.088 2.954 13.399 35 HB3 LYS 4 HB1 LYS 4 200.677 2.001 13.840 36 HG2 LYS 4 HG2 LYS 4 201.197 0.302 12.373 37 HG3 LYS 4 HG1 LYS 4 202.185 1.347 11.350 38 HD2 LYS 4 HD2 LYS 4 204.031 0.856 12.500 39 HD3 LYS 4 HD1 LYS 4 203.242 1.209 14.038 40 HE2 LYS 4 HE2 LYS 4 203.002 -1.380 12.507 41 HE3 LYS 4 HE1 LYS 4 204.053 -1.115 13.898 42 HZ1 LYS 4 HZ1 LYS 4 202.086 -2.155 14.670 43 HZ2 LYS 4 HZ2 LYS 4 201.088 -1.066 13.848 44 HZ3 LYS 4 HZ3 LYS 4 202.003 -0.541 15.170 45 H PHE 5 HN PHE 5 200.427 5.659 11.650 46 HA PHE 5 HA PHE 5 202.264 5.557 9.389 47 HB2 PHE 5 HB2 PHE 5 201.697 8.133 9.443 48 HB3 PHE 5 HB1 PHE 5 200.549 6.972 8.786 49 HD1 PHE 5 HD2 PHE 5 198.528 6.395 10.006 50 HD2 PHE 5 HD1 PHE 5 201.267 9.283 11.509 51 HE1 PHE 5 HE2 PHE 5 196.819 7.184 11.589 52 HE2 PHE 5 HE1 PHE 5 199.564 10.077 13.096 53 HZ PHE 5 HZ PHE 5 197.336 9.028 13.138 54 H PHE 6 HN PHE 6 203.809 7.598 9.305 55 HA PHE 6 HA PHE 6 204.859 8.375 11.886 56 HB2 PHE 6 HB2 PHE 6 207.125 7.255 10.508 57 HB3 PHE 6 HB1 PHE 6 206.571 6.974 12.146 58 HD1 PHE 6 HD1 PHE 6 205.013 5.107 12.613 59 HD2 PHE 6 HD2 PHE 6 206.735 5.708 8.769 60 HE1 PHE 6 HE1 PHE 6 204.444 2.793 12.000 61 HE2 PHE 6 HE2 PHE 6 206.167 3.398 8.147 62 HZ PHE 6 HZ PHE 6 205.020 1.935 9.764 63 H TYR 7 HN TYR 7 207.075 9.497 11.546 64 HA TYR 7 HA TYR 7 206.847 11.123 9.114 65 HB2 TYR 7 HB2 TYR 7 206.885 11.907 11.842 66 HB3 TYR 7 HB1 TYR 7 208.399 12.449 11.126 67 HD1 TYR 7 HD1 TYR 7 208.313 13.919 9.079 68 HD2 TYR 7 HD2 TYR 7 204.857 13.025 11.393 69 HE1 TYR 7 HE1 TYR 7 207.157 15.848 8.086 70 HE2 TYR 7 HE2 TYR 7 203.690 14.952 10.405 71 HH TYR 7 HH TYR 7 204.506 17.238 9.317 72 H ILE 8 HN ILE 8 208.482 10.991 7.728 73 HA ILE 8 HA ILE 8 210.994 9.795 8.667 74 HB ILE 8 HB ILE 8 210.964 10.034 5.819 75 HG12 ILE 8 HG12 ILE 8 208.488 10.085 6.042 76 HG13 ILE 8 HG11 ILE 8 209.064 8.636 5.226 77 HG21 ILE 8 HG21 ILE 8 211.542 7.779 5.887 78 HG22 ILE 8 HG22 ILE 8 210.620 7.490 7.363 79 HG23 ILE 8 HG23 ILE 8 212.124 8.408 7.429 80 HD11 ILE 8 HD11 ILE 8 208.142 7.314 6.746 81 HD12 ILE 8 HD12 ILE 8 207.308 8.747 7.349 82 HD13 ILE 8 HD13 ILE 8 208.831 8.239 8.080 83 H LYS 9 HN LYS 9 212.451 11.262 9.200 84 HA LYS 9 HA LYS 9 212.582 13.764 7.672 85 HB2 LYS 9 HB2 LYS 9 212.244 14.014 10.063 86 HB3 LYS 9 HB1 LYS 9 213.667 13.037 10.392 87 HG2 LYS 9 HG2 LYS 9 214.791 14.944 10.512 88 HG3 LYS 9 HG1 LYS 9 214.628 15.039 8.758 89 HD2 LYS 9 HD2 LYS 9 213.175 16.726 8.878 90 HD3 LYS 9 HD1 LYS 9 212.264 15.962 10.180 91 HE2 LYS 9 HE2 LYS 9 214.904 17.346 10.602 92 HE3 LYS 9 HE1 LYS 9 213.351 18.168 10.748 93 HZ1 LYS 9 HZ1 LYS 9 214.083 17.450 12.900 94 HZ2 LYS 9 HZ2 LYS 9 214.289 15.860 12.363 95 HZ3 LYS 9 HZ3 LYS 9 212.737 16.525 12.457 96 H SER 10 HN SER 10 214.347 14.356 6.542 97 HA SER 10 HA SER 10 216.406 12.420 6.052 98 HB2 SER 10 HB2 SER 10 215.383 14.237 4.439 99 HB3 SER 10 HB1 SER 10 216.618 15.274 5.153 100 HG SER 10 HG SER 10 217.012 12.825 3.777 101 H GLU 11 HN GLU 11 217.827 12.089 7.642 102 HA GLU 11 HA GLU 11 218.555 13.940 9.608 103 HB2 GLU 11 HB2 GLU 11 218.785 11.553 9.971 104 HB3 GLU 11 HB1 GLU 11 219.973 11.441 8.681 105 HG2 GLU 11 HG2 GLU 11 221.646 12.079 10.006 106 HG3 GLU 11 HG1 GLU 11 220.694 13.366 10.744 107 H LEU 12 HN LEU 12 219.488 13.793 6.382 108 HA LEU 12 HA LEU 12 222.124 14.919 6.787 109 HB2 LEU 12 HB2 LEU 12 221.761 13.438 4.905 110 HB3 LEU 12 HB1 LEU 12 220.488 14.475 4.291 111 HG LEU 12 HG LEU 12 222.377 16.280 4.190 112 HD11 LEU 12 HD11 LEU 12 223.847 13.766 4.688 113 HD12 LEU 12 HD12 LEU 12 224.276 15.431 5.077 114 HD13 LEU 12 HD13 LEU 12 224.488 14.827 3.433 115 HD21 LEU 12 HD21 LEU 12 223.102 15.122 1.935 116 HD22 LEU 12 HD22 LEU 12 221.476 15.772 2.151 117 HD23 LEU 12 HD23 LEU 12 221.765 14.041 2.330 118 H ASN 13 HN ASN 13 219.225 16.043 5.029 119 HA ASN 13 HA ASN 13 220.113 18.774 5.123 120 HB2 ASN 13 HB2 ASN 13 217.409 17.804 4.228 121 HB3 ASN 13 HB1 ASN 13 218.283 19.230 3.693 122 HD21 ASN 13 HD21 ASN 13 217.212 16.509 2.562 123 HD22 ASN 13 HD22 ASN 13 218.480 16.036 1.488 124 H GLY 14 HN GLY 14 218.285 16.800 7.213 125 HA2 GLY 14 HA2 GLY 14 217.269 17.366 9.216 126 HA3 GLY 14 HA1 GLY 14 217.635 19.055 8.881 127 H LYS 15 HN LYS 15 216.194 17.811 6.184 128 HA LYS 15 HA LYS 15 213.649 19.059 6.820 129 HB2 LYS 15 HB2 LYS 15 214.493 17.873 4.180 130 HB3 LYS 15 HB1 LYS 15 213.280 19.102 4.471 131 HG2 LYS 15 HG2 LYS 15 216.260 19.372 4.542 132 HG3 LYS 15 HG1 LYS 15 215.099 20.238 3.537 133 HD2 LYS 15 HD2 LYS 15 214.235 20.931 6.004 134 HD3 LYS 15 HD1 LYS 15 215.963 20.743 6.308 135 HE2 LYS 15 HE2 LYS 15 215.518 23.029 5.709 136 HE3 LYS 15 HE1 LYS 15 216.419 22.258 4.404 137 HZ1 LYS 15 HZ1 LYS 15 214.470 22.088 3.103 138 HZ2 LYS 15 HZ2 LYS 15 214.499 23.671 3.697 139 HZ3 LYS 15 HZ3 LYS 15 213.466 22.525 4.393 140 H VAL 16 HN VAL 16 211.818 17.765 5.371 141 HA VAL 16 HA VAL 16 211.920 14.975 6.315 142 HB VAL 16 HB VAL 16 209.389 15.159 6.441 143 HG11 VAL 16 HG11 VAL 16 211.213 15.392 8.341 144 HG12 VAL 16 HG12 VAL 16 209.495 15.615 8.673 145 HG13 VAL 16 HG13 VAL 16 210.539 17.019 8.450 146 HG21 VAL 16 HG21 VAL 16 208.310 17.193 6.397 147 HG22 VAL 16 HG22 VAL 16 209.536 17.424 5.150 148 HG23 VAL 16 HG23 VAL 16 209.778 18.100 6.761 149 H LEU 17 HN LEU 17 211.242 13.406 4.912 150 HA LEU 17 HA LEU 17 211.236 14.053 2.136 151 HB2 LEU 17 HB2 LEU 17 210.230 11.442 3.228 152 HB3 LEU 17 HB1 LEU 17 211.093 11.748 1.732 153 HG LEU 17 HG LEU 17 212.247 11.750 4.520 154 HD11 LEU 17 HD11 LEU 17 213.727 10.022 3.118 155 HD12 LEU 17 HD12 LEU 17 212.196 9.848 2.261 156 HD13 LEU 17 HD13 LEU 17 212.273 9.551 3.997 157 HD21 LEU 17 HD21 LEU 17 213.600 13.339 3.641 158 HD22 LEU 17 HD22 LEU 17 213.253 12.872 1.976 159 HD23 LEU 17 HD23 LEU 17 214.396 11.932 2.936 160 H ASP 18 HN ASP 18 209.531 14.369 0.752 161 HA ASP 18 HA ASP 18 206.829 13.786 1.699 162 HB2 ASP 18 HB2 ASP 18 207.488 16.167 2.298 163 HB3 ASP 18 HB1 ASP 18 207.550 16.491 0.567 164 H ILE 19 HN ILE 19 205.247 13.727 0.032 165 HA ILE 19 HA ILE 19 206.402 13.086 -2.578 166 HB ILE 19 HB ILE 19 203.586 12.596 -1.598 167 HG12 ILE 19 HG12 ILE 19 205.990 10.757 -1.672 168 HG13 ILE 19 HG11 ILE 19 205.194 11.371 -0.228 169 HG21 ILE 19 HG21 ILE 19 205.094 11.847 -4.072 170 HG22 ILE 19 HG22 ILE 19 203.473 12.522 -3.912 171 HG23 ILE 19 HG23 ILE 19 203.772 10.836 -3.490 172 HD11 ILE 19 HD11 ILE 19 204.725 8.955 -1.310 173 HD12 ILE 19 HD12 ILE 19 203.459 9.904 -2.087 174 HD13 ILE 19 HD13 ILE 19 203.560 9.841 -0.328 175 H GLU 20 HN GLU 20 205.940 14.182 -4.411 176 HA GLU 20 HA GLU 20 205.492 16.787 -4.594 177 HB2 GLU 20 HB2 GLU 20 204.819 14.555 -6.430 178 HB3 GLU 20 HB1 GLU 20 204.181 16.143 -6.833 179 HG2 GLU 20 HG2 GLU 20 207.083 15.503 -6.360 180 HG3 GLU 20 HG1 GLU 20 206.315 15.679 -7.938 181 H GLY 21 HN GLY 21 204.070 17.808 -3.278 182 HA2 GLY 21 HA2 GLY 21 202.062 18.497 -2.384 183 HA3 GLY 21 HA1 GLY 21 201.554 18.453 -4.063 184 H GLN 22 HN GLN 22 202.390 15.699 -1.993 185 HA GLN 22 HA GLN 22 201.229 13.777 -1.562 186 HB2 GLN 22 HB2 GLN 22 200.212 15.712 -0.087 187 HB3 GLN 22 HB1 GLN 22 198.790 15.437 -1.083 188 HG2 GLN 22 HG2 GLN 22 199.284 12.918 -0.407 189 HG3 GLN 22 HG1 GLN 22 200.029 13.714 0.978 190 HE21 GLN 22 HE21 GLN 22 198.752 14.134 2.626 191 HE22 GLN 22 HE22 GLN 22 197.030 14.268 2.573 192 H ASN 23 HN ASN 23 201.144 14.675 -4.344 193 HA ASN 23 HA ASN 23 198.726 14.582 -5.612 194 HB2 ASN 23 HB2 ASN 23 201.355 14.463 -6.415 195 HB3 ASN 23 HB1 ASN 23 200.723 12.911 -6.955 196 HD21 ASN 23 HD21 ASN 23 198.084 13.709 -7.480 197 HD22 ASN 23 HD22 ASN 23 198.099 14.751 -8.858 198 HA PRO 24 HA PRO 24 197.357 10.530 -4.068 199 HB2 PRO 24 HB2 PRO 24 194.860 11.355 -5.408 200 HB3 PRO 24 HB1 PRO 24 195.128 10.866 -3.733 201 HG2 PRO 24 HG2 PRO 24 194.628 13.416 -4.375 202 HG3 PRO 24 HG1 PRO 24 195.754 12.991 -3.072 203 HD2 PRO 24 HD2 PRO 24 196.342 13.856 -5.880 204 HD3 PRO 24 HD1 PRO 24 197.146 14.324 -4.366 205 H ALA 25 HN ALA 25 197.598 11.794 -7.245 206 HA ALA 25 HA ALA 25 196.644 9.374 -8.530 207 HB1 ALA 25 HB1 ALA 25 196.613 10.547 -10.482 208 HB2 ALA 25 HB2 ALA 25 198.048 11.487 -10.070 209 HB3 ALA 25 HB3 ALA 25 196.491 11.891 -9.346 210 HA PRO 26 HA PRO 26 200.537 7.278 -8.684 211 HB2 PRO 26 HB2 PRO 26 199.778 6.387 -11.401 212 HB3 PRO 26 HB1 PRO 26 200.136 5.428 -9.963 213 HG2 PRO 26 HG2 PRO 26 197.635 5.678 -10.883 214 HG3 PRO 26 HG1 PRO 26 197.979 5.605 -9.146 215 HD2 PRO 26 HD2 PRO 26 197.329 7.973 -10.853 216 HD3 PRO 26 HD1 PRO 26 196.809 7.596 -9.196 217 H GLY 27 HN GLY 27 202.595 7.665 -9.432 218 HA2 GLY 27 HA2 GLY 27 204.111 8.248 -11.202 219 HA3 GLY 27 HA1 GLY 27 202.855 9.263 -11.889 220 H SER 28 HN SER 28 202.829 9.738 -8.589 221 HA SER 28 HA SER 28 203.910 12.357 -8.846 222 HB2 SER 28 HB2 SER 28 202.099 11.353 -7.186 223 HB3 SER 28 HB1 SER 28 203.514 11.115 -6.160 224 HG SER 28 HG SER 28 203.538 13.175 -5.784 225 H LYS 29 HN LYS 29 205.838 13.172 -8.221 226 HA LYS 29 HA LYS 29 207.971 11.262 -7.722 227 HB2 LYS 29 HB2 LYS 29 207.831 14.117 -8.592 228 HB3 LYS 29 HB1 LYS 29 209.311 13.542 -7.839 229 HG2 LYS 29 HG2 LYS 29 209.682 13.269 -10.119 230 HG3 LYS 29 HG1 LYS 29 209.242 11.654 -9.560 231 HD2 LYS 29 HD2 LYS 29 207.325 11.631 -10.747 232 HD3 LYS 29 HD1 LYS 29 206.987 13.333 -10.425 233 HE2 LYS 29 HE2 LYS 29 208.703 13.950 -12.091 234 HE3 LYS 29 HE1 LYS 29 208.940 12.240 -12.448 235 HZ1 LYS 29 HZ1 LYS 29 206.306 13.570 -12.705 236 HZ2 LYS 29 HZ2 LYS 29 206.780 12.070 -13.326 237 HZ3 LYS 29 HZ3 LYS 29 207.414 13.494 -13.981 238 H ILE 30 HN ILE 30 209.557 11.639 -6.023 239 HA ILE 30 HA ILE 30 208.318 12.926 -3.668 240 HB ILE 30 HB ILE 30 209.574 11.320 -2.272 241 HG12 ILE 30 HG12 ILE 30 210.191 9.965 -4.907 242 HG13 ILE 30 HG11 ILE 30 211.364 10.835 -3.924 243 HG21 ILE 30 HG21 ILE 30 207.906 9.780 -2.382 244 HG22 ILE 30 HG22 ILE 30 208.034 9.604 -4.132 245 HG23 ILE 30 HG23 ILE 30 207.201 10.998 -3.445 246 HD11 ILE 30 HD11 ILE 30 210.470 8.125 -3.723 247 HD12 ILE 30 HD12 ILE 30 210.174 8.980 -2.210 248 HD13 ILE 30 HD13 ILE 30 211.799 8.931 -2.893 249 H ILE 31 HN ILE 31 209.587 14.144 -2.274 250 HA ILE 31 HA ILE 31 212.415 14.492 -2.764 251 HB ILE 31 HB ILE 31 212.410 16.791 -3.312 252 HG12 ILE 31 HG12 ILE 31 210.450 17.393 -1.877 253 HG13 ILE 31 HG11 ILE 31 210.452 18.178 -3.451 254 HG21 ILE 31 HG21 ILE 31 210.301 15.483 -5.021 255 HG22 ILE 31 HG22 ILE 31 212.040 15.244 -5.185 256 HG23 ILE 31 HG23 ILE 31 211.337 16.834 -5.478 257 HD11 ILE 31 HD11 ILE 31 208.245 17.521 -3.077 258 HD12 ILE 31 HD12 ILE 31 208.729 15.928 -2.493 259 HD13 ILE 31 HD13 ILE 31 208.895 16.329 -4.203 260 H THR 32 HN THR 32 213.160 16.469 -1.305 261 HA THR 32 HA THR 32 211.931 15.954 1.314 262 HB THR 32 HB THR 32 213.966 16.392 2.322 263 HG1 THR 32 HG1 THR 32 214.794 17.786 -0.004 264 HG21 THR 32 HG21 THR 32 214.812 15.423 -0.396 265 HG22 THR 32 HG22 THR 32 214.263 14.415 0.943 266 HG23 THR 32 HG23 THR 32 215.765 15.328 1.085 267 H TRP 33 HN TRP 33 211.384 17.662 2.733 268 HA TRP 33 HA TRP 33 211.591 20.397 1.836 269 HB2 TRP 33 HB2 TRP 33 209.565 19.346 0.657 270 HB3 TRP 33 HB1 TRP 33 208.812 19.304 2.247 271 HD1 TRP 33 HD1 TRP 33 207.229 21.276 2.549 272 HE1 TRP 33 HE1 TRP 33 207.185 23.746 1.827 273 HE3 TRP 33 HE3 TRP 33 211.607 21.430 -0.088 274 HZ2 TRP 33 HZ2 TRP 33 208.794 25.523 0.340 275 HZ3 TRP 33 HZ3 TRP 33 212.282 23.555 -1.129 276 HH2 TRP 33 HH2 TRP 33 210.902 25.558 -0.920 277 H ASP 34 HN ASP 34 210.315 21.862 3.436 278 HA ASP 34 HA ASP 34 211.239 21.240 6.052 279 HB2 ASP 34 HB2 ASP 34 209.275 23.413 5.315 280 HB3 ASP 34 HB1 ASP 34 210.364 23.373 6.699 281 H GLN 35 HN GLN 35 210.204 20.388 7.767 282 HA GLN 35 HA GLN 35 207.909 18.848 7.458 283 HB2 GLN 35 HB2 GLN 35 209.773 18.942 9.340 284 HB3 GLN 35 HB1 GLN 35 208.573 19.934 10.156 285 HG2 GLN 35 HG2 GLN 35 206.934 18.081 9.827 286 HG3 GLN 35 HG1 GLN 35 208.263 17.093 9.222 287 HE21 GLN 35 HE21 GLN 35 210.200 17.039 10.729 288 HE22 GLN 35 HE22 GLN 35 209.856 16.833 12.409 289 H LYS 36 HN LYS 36 205.862 19.407 7.208 290 HA LYS 36 HA LYS 36 204.989 22.084 7.966 291 HB2 LYS 36 HB2 LYS 36 204.099 20.025 6.050 292 HB3 LYS 36 HB1 LYS 36 202.804 20.929 6.824 293 HG2 LYS 36 HG2 LYS 36 203.143 22.303 5.070 294 HG3 LYS 36 HG1 LYS 36 204.382 22.968 6.136 295 HD2 LYS 36 HD2 LYS 36 205.637 22.665 4.254 296 HD3 LYS 36 HD1 LYS 36 205.850 21.079 4.997 297 HE2 LYS 36 HE2 LYS 36 205.170 20.284 3.015 298 HE3 LYS 36 HE1 LYS 36 203.555 20.717 3.574 299 HZ1 LYS 36 HZ1 LYS 36 205.339 22.299 1.812 300 HZ2 LYS 36 HZ2 LYS 36 203.936 22.931 2.512 301 HZ3 LYS 36 HZ3 LYS 36 203.830 21.637 1.428 302 H LYS 37 HN LYS 37 202.791 22.304 8.952 303 HA LYS 37 HA LYS 37 202.195 20.119 10.827 304 HB2 LYS 37 HB2 LYS 37 202.495 23.052 11.473 305 HB3 LYS 37 HB1 LYS 37 201.710 21.906 12.550 306 HG2 LYS 37 HG2 LYS 37 203.976 20.590 12.224 307 HG3 LYS 37 HG1 LYS 37 204.579 22.207 11.859 308 HD2 LYS 37 HD2 LYS 37 204.683 22.651 14.034 309 HD3 LYS 37 HD1 LYS 37 202.941 22.406 14.164 310 HE2 LYS 37 HE2 LYS 37 205.136 20.382 14.535 311 HE3 LYS 37 HE1 LYS 37 203.957 20.936 15.723 312 HZ1 LYS 37 HZ1 LYS 37 203.672 18.966 13.608 313 HZ2 LYS 37 HZ2 LYS 37 202.342 19.982 13.844 314 HZ3 LYS 37 HZ3 LYS 37 202.925 19.044 15.124 315 H GLY 38 HN GLY 38 200.182 19.456 10.507 316 HA2 GLY 38 HA2 GLY 38 197.848 20.648 10.871 317 HA3 GLY 38 HA1 GLY 38 198.246 21.261 9.273 318 HA PRO 39 HA PRO 39 195.975 17.262 8.705 319 HB2 PRO 39 HB2 PRO 39 194.420 18.680 6.700 320 HB3 PRO 39 HB1 PRO 39 193.869 17.900 8.183 321 HG2 PRO 39 HG2 PRO 39 193.847 20.595 7.827 322 HG3 PRO 39 HG1 PRO 39 194.033 19.827 9.413 323 HD2 PRO 39 HD2 PRO 39 196.124 21.007 7.620 324 HD3 PRO 39 HD1 PRO 39 195.956 21.125 9.386 325 H THR 40 HN THR 40 198.065 19.142 6.937 326 HA THR 40 HA THR 40 197.914 17.376 4.590 327 HB THR 40 HB THR 40 199.517 19.298 3.692 328 HG1 THR 40 HG1 THR 40 199.066 21.256 4.589 329 HG21 THR 40 HG21 THR 40 197.271 20.645 3.233 330 HG22 THR 40 HG22 THR 40 196.573 19.109 3.747 331 HG23 THR 40 HG23 THR 40 197.688 19.159 2.381 332 H ALA 41 HN ALA 41 199.304 17.055 7.301 333 HA ALA 41 HA ALA 41 202.111 17.044 6.625 334 HB1 ALA 41 HB1 ALA 41 200.794 17.266 8.977 335 HB2 ALA 41 HB2 ALA 41 202.486 16.791 8.830 336 HB3 ALA 41 HB3 ALA 41 201.237 15.559 9.009 337 H VAL 42 HN VAL 42 199.464 14.884 6.375 338 HA VAL 42 HA VAL 42 200.537 12.349 6.606 339 HB VAL 42 HB VAL 42 198.495 13.453 4.670 340 HG11 VAL 42 HG11 VAL 42 199.753 10.853 4.650 341 HG12 VAL 42 HG12 VAL 42 198.634 11.576 3.496 342 HG13 VAL 42 HG13 VAL 42 198.014 10.731 4.914 343 HG21 VAL 42 HG21 VAL 42 198.385 12.986 7.394 344 HG22 VAL 42 HG22 VAL 42 197.590 11.580 6.688 345 HG23 VAL 42 HG23 VAL 42 197.012 13.202 6.309 346 H ASN 43 HN ASN 43 201.034 14.724 4.080 347 HA ASN 43 HA ASN 43 202.064 12.985 2.122 348 HB2 ASN 43 HB2 ASN 43 203.140 15.117 1.217 349 HB3 ASN 43 HB1 ASN 43 201.386 15.114 1.368 350 HD21 ASN 43 HD21 ASN 43 201.703 17.451 1.283 351 HD22 ASN 43 HD22 ASN 43 202.044 18.296 2.750 352 H GLN 44 HN GLN 44 203.368 13.867 5.089 353 HA GLN 44 HA GLN 44 206.076 13.155 4.177 354 HB2 GLN 44 HB2 GLN 44 205.100 15.124 6.205 355 HB3 GLN 44 HB1 GLN 44 206.634 14.320 6.484 356 HG2 GLN 44 HG2 GLN 44 207.691 15.567 4.975 357 HG3 GLN 44 HG1 GLN 44 206.401 15.377 3.789 358 HE21 GLN 44 HE21 GLN 44 207.789 17.752 4.127 359 HE22 GLN 44 HE22 GLN 44 206.711 18.948 4.754 360 H LEU 45 HN LEU 45 203.474 11.857 5.435 361 HA LEU 45 HA LEU 45 204.927 10.287 7.438 362 HB2 LEU 45 HB2 LEU 45 202.029 11.008 7.291 363 HB3 LEU 45 HB1 LEU 45 202.650 9.824 8.374 364 HG LEU 45 HG LEU 45 204.215 12.130 8.774 365 HD11 LEU 45 HD11 LEU 45 202.898 13.902 8.604 366 HD12 LEU 45 HD12 LEU 45 201.598 13.100 9.487 367 HD13 LEU 45 HD13 LEU 45 201.747 12.884 7.747 368 HD21 LEU 45 HD21 LEU 45 202.638 12.030 10.939 369 HD22 LEU 45 HD22 LEU 45 203.973 10.911 10.661 370 HD23 LEU 45 HD23 LEU 45 202.322 10.430 10.269 371 H TRP 46 HN TRP 46 204.855 8.116 7.374 372 HA TRP 46 HA TRP 46 203.241 6.850 5.282 373 HB2 TRP 46 HB2 TRP 46 206.165 6.380 5.853 374 HB3 TRP 46 HB1 TRP 46 205.182 5.413 4.766 375 HD1 TRP 46 HD1 TRP 46 205.924 9.223 5.113 376 HE1 TRP 46 HE1 TRP 46 206.348 10.153 2.749 377 HE3 TRP 46 HE3 TRP 46 205.258 4.930 2.412 378 HZ2 TRP 46 HZ2 TRP 46 206.389 9.196 0.092 379 HZ3 TRP 46 HZ3 TRP 46 205.500 5.025 -0.032 380 HH2 TRP 46 HH2 TRP 46 206.056 7.114 -1.169 381 H TYR 47 HN TYR 47 203.259 4.414 5.563 382 HA TYR 47 HA TYR 47 203.613 3.611 8.336 383 HB2 TYR 47 HB2 TYR 47 201.388 2.563 8.442 384 HB3 TYR 47 HB1 TYR 47 201.299 4.309 8.276 385 HD1 TYR 47 HD1 TYR 47 200.950 1.128 6.399 386 HD2 TYR 47 HD2 TYR 47 200.099 5.292 6.531 387 HE1 TYR 47 HE1 TYR 47 199.395 0.865 4.511 388 HE2 TYR 47 HE2 TYR 47 198.544 5.043 4.643 389 HH TYR 47 HH TYR 47 198.434 3.074 2.596 390 H THR 48 HN THR 48 203.369 1.175 8.570 391 HA THR 48 HA THR 48 204.490 -0.085 6.161 392 HB THR 48 HB THR 48 205.493 -1.732 7.693 393 HG1 THR 48 HG1 THR 48 205.362 -1.308 9.943 394 HG21 THR 48 HG21 THR 48 206.130 1.105 7.774 395 HG22 THR 48 HG22 THR 48 207.185 -0.296 7.580 396 HG23 THR 48 HG23 THR 48 206.684 0.215 9.192 397 H ASP 49 HN ASP 49 203.544 -1.805 5.236 398 HA ASP 49 HA ASP 49 200.888 -2.490 6.090 399 HB2 ASP 49 HB2 ASP 49 202.638 -3.382 3.809 400 HB3 ASP 49 HB1 ASP 49 201.087 -4.151 4.129 401 H GLN 50 HN GLN 50 200.246 -4.879 6.094 402 HA GLN 50 HA GLN 50 201.499 -6.136 8.282 403 HB2 GLN 50 HB2 GLN 50 199.540 -7.228 6.257 404 HB3 GLN 50 HB1 GLN 50 200.010 -8.060 7.732 405 HG2 GLN 50 HG2 GLN 50 198.426 -6.994 8.836 406 HG3 GLN 50 HG1 GLN 50 199.197 -5.454 8.459 407 HE21 GLN 50 HE21 GLN 50 197.619 -7.790 6.327 408 HE22 GLN 50 HE22 GLN 50 196.403 -6.708 5.748 409 H GLN 51 HN GLN 51 202.086 -6.285 4.882 410 HA GLN 51 HA GLN 51 203.658 -8.732 5.120 411 HB2 GLN 51 HB2 GLN 51 203.029 -7.026 2.706 412 HB3 GLN 51 HB1 GLN 51 203.905 -8.550 2.671 413 HG2 GLN 51 HG2 GLN 51 201.068 -8.223 3.618 414 HG3 GLN 51 HG1 GLN 51 201.541 -8.757 2.006 415 HE21 GLN 51 HE21 GLN 51 202.832 -10.724 1.873 416 HE22 GLN 51 HE22 GLN 51 202.571 -11.975 3.036 417 H GLY 52 HN GLY 52 204.159 -5.506 5.647 418 HA2 GLY 52 HA2 GLY 52 206.284 -4.683 6.324 419 HA3 GLY 52 HA1 GLY 52 207.045 -5.844 5.248 420 H VAL 53 HN VAL 53 204.446 -4.331 3.710 421 HA VAL 53 HA VAL 53 206.299 -2.691 2.168 422 HB VAL 53 HB VAL 53 203.397 -3.321 1.607 423 HG11 VAL 53 HG11 VAL 53 203.920 -2.584 -0.664 424 HG12 VAL 53 HG12 VAL 53 205.561 -2.184 -0.155 425 HG13 VAL 53 HG13 VAL 53 204.190 -1.297 0.511 426 HG21 VAL 53 HG21 VAL 53 205.375 -5.161 1.622 427 HG22 VAL 53 HG22 VAL 53 205.508 -4.558 -0.030 428 HG23 VAL 53 HG23 VAL 53 203.979 -5.223 0.546 429 H ILE 54 HN ILE 54 206.473 -0.595 2.599 430 HA ILE 54 HA ILE 54 204.647 0.709 4.363 431 HB ILE 54 HB ILE 54 206.057 2.786 3.661 432 HG12 ILE 54 HG12 ILE 54 208.272 0.918 3.138 433 HG13 ILE 54 HG11 ILE 54 207.101 1.060 1.830 434 HG21 ILE 54 HG21 ILE 54 206.645 0.542 5.463 435 HG22 ILE 54 HG22 ILE 54 206.459 2.262 5.805 436 HG23 ILE 54 HG23 ILE 54 207.981 1.652 5.155 437 HD11 ILE 54 HD11 ILE 54 208.321 2.803 1.184 438 HD12 ILE 54 HD12 ILE 54 209.124 2.939 2.748 439 HD13 ILE 54 HD13 ILE 54 207.537 3.669 2.505 440 H ARG 55 HN ARG 55 203.349 2.456 3.970 441 HA ARG 55 HA ARG 55 202.902 3.373 1.257 442 HB2 ARG 55 HB2 ARG 55 200.525 2.376 2.803 443 HB3 ARG 55 HB1 ARG 55 200.626 2.781 1.101 444 HG2 ARG 55 HG2 ARG 55 202.125 0.468 2.283 445 HG3 ARG 55 HG1 ARG 55 200.467 0.326 1.702 446 HD2 ARG 55 HD2 ARG 55 202.369 1.620 -0.141 447 HD3 ARG 55 HD1 ARG 55 202.639 -0.096 0.162 448 HE ARG 55 HE ARG 55 200.473 1.088 -1.312 449 HH11 ARG 55 HH11 ARG 55 201.512 -1.705 0.506 450 HH12 ARG 55 HH12 ARG 55 200.372 -2.772 -0.244 451 HH21 ARG 55 HH21 ARG 55 198.971 -0.314 -2.296 452 HH22 ARG 55 HH22 ARG 55 198.930 -1.983 -1.835 453 H SER 56 HN SER 56 202.342 5.488 1.248 454 HA SER 56 HA SER 56 202.587 7.034 3.539 455 HB2 SER 56 HB2 SER 56 201.173 7.717 0.951 456 HB3 SER 56 HB1 SER 56 201.626 8.889 2.189 457 HG SER 56 HG SER 56 203.576 8.874 1.426 458 H LYS 57 HN LYS 57 201.256 8.051 4.900 459 HA LYS 57 HA LYS 57 199.031 6.743 5.843 460 HB2 LYS 57 HB2 LYS 57 200.468 8.549 6.947 461 HB3 LYS 57 HB1 LYS 57 199.401 9.703 6.161 462 HG2 LYS 57 HG2 LYS 57 197.512 8.340 7.244 463 HG3 LYS 57 HG1 LYS 57 198.789 7.722 8.291 464 HD2 LYS 57 HD2 LYS 57 198.971 9.666 9.418 465 HD3 LYS 57 HD1 LYS 57 198.790 10.638 7.957 466 HE2 LYS 57 HE2 LYS 57 196.355 10.162 8.007 467 HE3 LYS 57 HE1 LYS 57 196.586 9.325 9.542 468 HZ1 LYS 57 HZ1 LYS 57 196.711 12.191 8.950 469 HZ2 LYS 57 HZ2 LYS 57 197.701 11.590 10.183 470 HZ3 LYS 57 HZ3 LYS 57 196.024 11.391 10.274 471 H LEU 58 HN LEU 58 199.252 8.982 3.219 472 HA LEU 58 HA LEU 58 196.666 9.996 3.123 473 HB2 LEU 58 HB2 LEU 58 197.060 10.261 0.695 474 HB3 LEU 58 HB1 LEU 58 198.368 10.869 1.690 475 HG LEU 58 HG LEU 58 199.315 8.405 1.215 476 HD11 LEU 58 HD11 LEU 58 198.277 8.929 -1.488 477 HD12 LEU 58 HD12 LEU 58 197.109 8.295 -0.330 478 HD13 LEU 58 HD13 LEU 58 198.592 7.401 -0.666 479 HD21 LEU 58 HD21 LEU 58 200.440 9.515 -0.839 480 HD22 LEU 58 HD22 LEU 58 200.711 10.195 0.766 481 HD23 LEU 58 HD23 LEU 58 199.556 10.954 -0.330 482 H ASN 59 HN ASN 59 197.950 7.036 1.620 483 HA ASN 59 HA ASN 59 195.624 5.532 2.024 484 HB2 ASN 59 HB2 ASN 59 195.093 7.334 0.092 485 HB3 ASN 59 HB1 ASN 59 195.785 6.049 -0.893 486 HD21 ASN 59 HD21 ASN 59 193.082 7.117 0.887 487 HD22 ASN 59 HD22 ASN 59 192.072 5.741 0.622 488 H ASP 60 HN ASP 60 195.617 3.649 0.182 489 HA ASP 60 HA ASP 60 198.053 2.270 0.591 490 HB2 ASP 60 HB2 ASP 60 195.502 1.739 -0.829 491 HB3 ASP 60 HB1 ASP 60 196.901 0.809 -1.356 492 H PHE 61 HN PHE 61 199.635 3.715 -0.267 493 HA PHE 61 HA PHE 61 200.061 3.308 -3.122 494 HB2 PHE 61 HB2 PHE 61 199.494 5.901 -1.848 495 HB3 PHE 61 HB1 PHE 61 200.921 5.892 -2.880 496 HD1 PHE 61 HD1 PHE 61 197.352 4.823 -2.893 497 HD2 PHE 61 HD2 PHE 61 200.668 6.266 -5.136 498 HE1 PHE 61 HE1 PHE 61 195.914 5.029 -4.877 499 HE2 PHE 61 HE2 PHE 61 199.235 6.477 -7.124 500 HZ PHE 61 HZ PHE 61 196.854 5.860 -6.997 501 H ALA 62 HN ALA 62 202.017 2.485 -3.356 502 HA ALA 62 HA ALA 62 204.078 3.133 -1.356 503 HB1 ALA 62 HB1 ALA 62 204.831 1.003 -1.449 504 HB2 ALA 62 HB2 ALA 62 204.478 0.836 -3.168 505 HB3 ALA 62 HB3 ALA 62 203.180 0.690 -1.983 506 H ILE 63 HN ILE 63 206.256 3.410 -2.059 507 HA ILE 63 HA ILE 63 206.452 4.907 -4.519 508 HB ILE 63 HB ILE 63 208.953 4.230 -3.099 509 HG12 ILE 63 HG12 ILE 63 207.953 6.390 -1.614 510 HG13 ILE 63 HG11 ILE 63 206.664 5.193 -1.606 511 HG21 ILE 63 HG21 ILE 63 207.736 6.784 -4.126 512 HG22 ILE 63 HG22 ILE 63 208.961 5.795 -4.917 513 HG23 ILE 63 HG23 ILE 63 209.344 6.644 -3.421 514 HD11 ILE 63 HD11 ILE 63 207.872 4.573 0.237 515 HD12 ILE 63 HD12 ILE 63 209.414 5.031 -0.487 516 HD13 ILE 63 HD13 ILE 63 208.604 3.551 -1.000 517 H ASP 64 HN ASP 64 207.860 4.429 -6.265 518 HA ASP 64 HA ASP 64 208.817 1.659 -6.358 519 HB2 ASP 64 HB2 ASP 64 207.969 1.313 -8.554 520 HB3 ASP 64 HB1 ASP 64 206.647 1.942 -7.582 521 H ALA 65 HN ALA 65 210.790 1.376 -7.115 522 HA ALA 65 HA ALA 65 212.233 3.749 -8.081 523 HB1 ALA 65 HB1 ALA 65 213.606 2.973 -6.473 524 HB2 ALA 65 HB2 ALA 65 214.198 1.946 -7.779 525 HB3 ALA 65 HB3 ALA 65 213.026 1.315 -6.622 526 H SER 66 HN SER 66 210.486 2.617 -9.911 527 HA SER 66 HA SER 66 211.843 0.815 -11.669 528 HB2 SER 66 HB2 SER 66 209.402 0.864 -11.584 529 HB3 SER 66 HB1 SER 66 209.400 2.541 -12.129 530 HG SER 66 HG SER 66 210.576 0.456 -13.636 531 H HIS 67 HN HIS 67 211.173 4.294 -11.721 532 HA HIS 67 HA HIS 67 212.837 4.608 -14.095 533 HB2 HIS 67 HB2 HIS 67 211.097 6.550 -12.569 534 HB3 HIS 67 HB1 HIS 67 212.055 6.982 -13.976 535 HD1 HIS 67 HD1 HIS 67 209.291 4.532 -13.080 536 HD2 HIS 67 HD2 HIS 67 210.721 6.707 -16.319 537 HE1 HIS 67 HE1 HIS 67 207.646 4.129 -14.939 538 HE2 HIS 67 HE2 HIS 67 208.583 5.379 -16.916 539 H GLU 68 HN GLU 68 214.294 6.622 -14.061 540 HA GLU 68 HA GLU 68 216.432 6.247 -12.401 541 HB2 GLU 68 HB2 GLU 68 215.613 8.943 -13.481 542 HB3 GLU 68 HB1 GLU 68 217.240 8.403 -13.093 543 HG2 GLU 68 HG2 GLU 68 216.544 6.534 -14.897 544 HG3 GLU 68 HG1 GLU 68 215.592 7.900 -15.477 545 H GLN 69 HN GLN 69 213.784 8.564 -11.930 546 HA GLN 69 HA GLN 69 214.740 9.086 -9.218 547 HB2 GLN 69 HB2 GLN 69 212.397 10.481 -10.451 548 HB3 GLN 69 HB1 GLN 69 213.558 11.077 -9.279 549 HG2 GLN 69 HG2 GLN 69 215.235 11.335 -10.959 550 HG3 GLN 69 HG1 GLN 69 214.219 10.535 -12.158 551 HE21 GLN 69 HE21 GLN 69 212.317 11.619 -12.876 552 HE22 GLN 69 HE22 GLN 69 212.215 13.342 -12.813 553 H ILE 70 HN ILE 70 213.457 8.678 -7.413 554 HA ILE 70 HA ILE 70 211.584 6.542 -7.722 555 HB ILE 70 HB ILE 70 211.818 7.999 -5.127 556 HG12 ILE 70 HG12 ILE 70 214.121 7.876 -5.942 557 HG13 ILE 70 HG11 ILE 70 213.876 6.755 -4.611 558 HG21 ILE 70 HG21 ILE 70 212.104 5.093 -5.260 559 HG22 ILE 70 HG22 ILE 70 210.588 5.693 -5.931 560 HG23 ILE 70 HG23 ILE 70 211.033 6.083 -4.269 561 HD11 ILE 70 HD11 ILE 70 214.841 5.248 -5.927 562 HD12 ILE 70 HD12 ILE 70 214.636 6.247 -7.367 563 HD13 ILE 70 HD13 ILE 70 213.315 5.220 -6.810 564 H GLU 71 HN GLU 71 209.446 6.498 -7.498 565 HA GLU 71 HA GLU 71 207.986 8.988 -6.986 566 HB2 GLU 71 HB2 GLU 71 206.534 8.636 -8.930 567 HB3 GLU 71 HB1 GLU 71 208.209 8.863 -9.413 568 HG2 GLU 71 HG2 GLU 71 208.160 6.193 -9.253 569 HG3 GLU 71 HG1 GLU 71 206.469 6.495 -9.649 570 H THR 72 HN THR 72 205.581 8.557 -6.839 571 HA THR 72 HA THR 72 205.168 6.039 -5.380 572 HB THR 72 HB THR 72 203.309 7.248 -4.246 573 HG1 THR 72 HG1 THR 72 202.773 8.853 -5.622 574 HG21 THR 72 HG21 THR 72 206.121 7.840 -3.947 575 HG22 THR 72 HG22 THR 72 204.884 7.571 -2.720 576 HG23 THR 72 HG23 THR 72 205.101 9.176 -3.418 577 H GLN 73 HN GLN 73 203.495 4.702 -5.868 578 HA GLN 73 HA GLN 73 201.320 5.476 -7.557 579 HB2 GLN 73 HB2 GLN 73 202.425 3.277 -8.994 580 HB3 GLN 73 HB1 GLN 73 202.094 4.901 -9.572 581 HG2 GLN 73 HG2 GLN 73 204.298 5.627 -8.973 582 HG3 GLN 73 HG1 GLN 73 204.637 4.087 -8.185 583 HE21 GLN 73 HE21 GLN 73 204.283 5.749 -11.212 584 HE22 GLN 73 HE22 GLN 73 204.963 4.511 -12.207 585 HA PRO 74 HA PRO 74 199.204 2.102 -5.679 586 HB2 PRO 74 HB2 PRO 74 198.535 1.029 -8.372 587 HB3 PRO 74 HB1 PRO 74 197.464 1.457 -7.034 588 HG2 PRO 74 HG2 PRO 74 197.654 3.025 -9.179 589 HG3 PRO 74 HG1 PRO 74 197.502 3.717 -7.553 590 HD2 PRO 74 HD2 PRO 74 199.919 3.477 -9.294 591 HD3 PRO 74 HD1 PRO 74 199.443 4.792 -8.201 592 H PHE 75 HN PHE 75 199.839 0.177 -4.874 593 HA PHE 75 HA PHE 75 202.225 -1.029 -5.561 594 HB2 PHE 75 HB2 PHE 75 200.910 -1.322 -3.428 595 HB3 PHE 75 HB1 PHE 75 199.893 -2.469 -4.295 596 HD1 PHE 75 HD2 PHE 75 200.866 -4.587 -5.132 597 HD2 PHE 75 HD1 PHE 75 203.059 -1.923 -2.642 598 HE1 PHE 75 HE2 PHE 75 202.461 -6.388 -4.616 599 HE2 PHE 75 HE1 PHE 75 204.658 -3.718 -2.123 600 HZ PHE 75 HZ PHE 75 204.360 -5.955 -3.109 601 H ASP 76 HN ASP 76 202.876 -2.557 -6.957 602 HA ASP 76 HA ASP 76 200.830 -3.875 -8.615 603 HB2 ASP 76 HB2 ASP 76 201.961 -2.136 -9.914 604 HB3 ASP 76 HB1 ASP 76 203.526 -2.833 -9.510 605 HA PRO 77 HA PRO 77 202.749 -7.501 -6.784 606 HB2 PRO 77 HB2 PRO 77 201.211 -8.842 -8.942 607 HB3 PRO 77 HB1 PRO 77 201.233 -9.166 -7.205 608 HG2 PRO 77 HG2 PRO 77 199.156 -7.938 -8.333 609 HG3 PRO 77 HG1 PRO 77 199.744 -7.454 -6.731 610 HD2 PRO 77 HD2 PRO 77 200.142 -6.125 -9.380 611 HD3 PRO 77 HD1 PRO 77 199.862 -5.399 -7.783 612 H ASN 78 HN ASN 78 202.627 -6.889 -10.272 613 HA ASN 78 HA ASN 78 204.795 -8.739 -10.773 614 HB2 ASN 78 HB2 ASN 78 202.980 -7.072 -12.455 615 HB3 ASN 78 HB1 ASN 78 204.512 -7.599 -13.144 616 HD21 ASN 78 HD21 ASN 78 201.443 -8.314 -13.237 617 HD22 ASN 78 HD22 ASN 78 201.485 -10.038 -13.347 618 H ASN 79 HN ASN 79 204.732 -5.696 -9.537 619 HA ASN 79 HA ASN 79 207.230 -4.937 -10.892 620 HB2 ASN 79 HB2 ASN 79 205.239 -3.353 -11.025 621 HB3 ASN 79 HB1 ASN 79 205.480 -3.067 -9.304 622 HD21 ASN 79 HD21 ASN 79 205.637 -1.010 -11.096 623 HD22 ASN 79 HD22 ASN 79 207.269 -0.460 -11.212 624 HA PRO 80 HA PRO 80 208.818 -5.976 -6.775 625 HB2 PRO 80 HB2 PRO 80 211.356 -6.405 -7.514 626 HB3 PRO 80 HB1 PRO 80 210.079 -7.586 -7.833 627 HG2 PRO 80 HG2 PRO 80 211.284 -5.558 -9.672 628 HG3 PRO 80 HG1 PRO 80 210.897 -7.260 -9.984 629 HD2 PRO 80 HD2 PRO 80 209.298 -5.189 -10.759 630 HD3 PRO 80 HD1 PRO 80 208.682 -6.811 -10.382 631 H LYS 81 HN LYS 81 208.594 -3.179 -7.987 632 HA LYS 81 HA LYS 81 210.885 -1.991 -6.588 633 HB2 LYS 81 HB2 LYS 81 209.485 -1.227 -9.122 634 HB3 LYS 81 HB1 LYS 81 210.281 0.003 -8.165 635 HG2 LYS 81 HG2 LYS 81 211.541 -2.414 -9.430 636 HG3 LYS 81 HG1 LYS 81 211.784 -0.722 -9.870 637 HD2 LYS 81 HD2 LYS 81 212.610 -0.435 -7.448 638 HD3 LYS 81 HD1 LYS 81 212.742 -2.195 -7.439 639 HE2 LYS 81 HE2 LYS 81 214.320 -2.174 -9.208 640 HE3 LYS 81 HE1 LYS 81 214.013 -0.473 -9.553 641 HZ1 LYS 81 HZ1 LYS 81 215.357 -1.594 -7.157 642 HZ2 LYS 81 HZ2 LYS 81 214.920 0.032 -7.317 643 HZ3 LYS 81 HZ3 LYS 81 216.057 -0.645 -8.371 644 H ARG 82 HN ARG 82 207.466 -2.219 -6.857 645 HA ARG 82 HA ARG 82 206.922 0.239 -5.426 646 HB2 ARG 82 HB2 ARG 82 205.282 -1.875 -6.741 647 HB3 ARG 82 HB1 ARG 82 204.529 -0.865 -5.514 648 HG2 ARG 82 HG2 ARG 82 205.191 1.131 -6.787 649 HG3 ARG 82 HG1 ARG 82 205.851 0.083 -8.044 650 HD2 ARG 82 HD2 ARG 82 203.127 -0.625 -7.338 651 HD3 ARG 82 HD1 ARG 82 203.262 1.049 -7.873 652 HE ARG 82 HE ARG 82 204.454 -1.059 -9.518 653 HH11 ARG 82 HH11 ARG 82 201.961 1.355 -9.085 654 HH12 ARG 82 HH12 ARG 82 201.484 1.335 -10.747 655 HH21 ARG 82 HH21 ARG 82 203.810 -1.085 -11.703 656 HH22 ARG 82 HH22 ARG 82 202.530 -0.045 -12.230 657 H ALA 83 HN ALA 83 208.354 -2.174 -4.192 658 HA ALA 83 HA ALA 83 206.667 -2.270 -1.780 659 HB1 ALA 83 HB1 ALA 83 206.476 -4.477 -1.877 660 HB2 ALA 83 HB2 ALA 83 208.229 -4.648 -1.919 661 HB3 ALA 83 HB3 ALA 83 207.324 -4.471 -3.422 662 H TRP 84 HN TRP 84 207.798 -0.846 -0.565 663 HA TRP 84 HA TRP 84 210.687 -1.314 -0.277 664 HB2 TRP 84 HB2 TRP 84 209.029 1.147 0.287 665 HB3 TRP 84 HB1 TRP 84 210.761 1.011 0.588 666 HD1 TRP 84 HD1 TRP 84 208.299 0.808 -2.401 667 HE1 TRP 84 HE1 TRP 84 209.549 1.601 -4.506 668 HE3 TRP 84 HE3 TRP 84 212.927 1.497 -0.369 669 HZ2 TRP 84 HZ2 TRP 84 212.149 2.429 -5.198 670 HZ3 TRP 84 HZ3 TRP 84 214.740 2.292 -1.815 671 HH2 TRP 84 HH2 TRP 84 214.362 2.747 -4.185 672 H ILE 85 HN ILE 85 211.583 -1.788 1.615 673 HA ILE 85 HA ILE 85 209.792 -2.016 3.952 674 HB ILE 85 HB ILE 85 211.316 -3.746 4.805 675 HG12 ILE 85 HG12 ILE 85 212.714 -4.449 2.424 676 HG13 ILE 85 HG11 ILE 85 213.025 -2.746 2.745 677 HG21 ILE 85 HG21 ILE 85 210.268 -5.401 3.682 678 HG22 ILE 85 HG22 ILE 85 210.722 -4.765 2.101 679 HG23 ILE 85 HG23 ILE 85 209.372 -4.052 2.984 680 HD11 ILE 85 HD11 ILE 85 213.428 -3.689 5.192 681 HD12 ILE 85 HD12 ILE 85 214.696 -3.641 3.968 682 HD13 ILE 85 HD13 ILE 85 213.821 -5.142 4.273 683 H VAL 86 HN VAL 86 210.677 -1.454 6.043 684 HA VAL 86 HA VAL 86 212.752 0.601 5.811 685 HB VAL 86 HB VAL 86 211.027 0.131 8.229 686 HG11 VAL 86 HG11 VAL 86 211.465 2.553 8.569 687 HG12 VAL 86 HG12 VAL 86 212.540 2.513 7.172 688 HG13 VAL 86 HG13 VAL 86 212.920 1.557 8.604 689 HG21 VAL 86 HG21 VAL 86 209.809 2.222 7.069 690 HG22 VAL 86 HG22 VAL 86 209.281 0.554 6.850 691 HG23 VAL 86 HG23 VAL 86 210.291 1.326 5.628 692 H SER 87 HN SER 87 214.714 0.286 6.599 693 HA SER 87 HA SER 87 215.119 -1.902 8.531 694 HB2 SER 87 HB2 SER 87 216.059 -2.261 6.190 695 HB3 SER 87 HB1 SER 87 217.184 -0.950 6.542 696 HG SER 87 HG SER 87 217.720 -2.259 8.479 697 H GLY 88 HN GLY 88 215.082 -0.680 10.389 698 HA2 GLY 88 HA2 GLY 88 216.040 0.574 12.061 699 HA3 GLY 88 HA1 GLY 88 217.474 0.706 11.057 700 H ASN 89 HN ASN 89 217.858 2.539 9.945 701 HA ASN 89 HA ASN 89 215.847 4.679 10.178 702 HB2 ASN 89 HB2 ASN 89 217.679 6.254 10.439 703 HB3 ASN 89 HB1 ASN 89 217.830 4.983 11.647 704 HD21 ASN 89 HD21 ASN 89 218.934 5.844 8.379 705 HD22 ASN 89 HD22 ASN 89 220.510 5.162 8.549 706 H THR 90 HN THR 90 216.265 2.780 7.954 707 HA THR 90 HA THR 90 216.595 4.775 5.873 708 HB THR 90 HB THR 90 218.044 2.837 4.728 709 HG1 THR 90 HG1 THR 90 218.778 2.727 7.457 710 HG21 THR 90 HG21 THR 90 218.609 5.352 5.842 711 HG22 THR 90 HG22 THR 90 219.545 4.454 4.647 712 HG23 THR 90 HG23 THR 90 219.887 4.255 6.366 713 H ILE 91 HN ILE 91 215.676 4.270 3.923 714 HA ILE 91 HA ILE 91 213.683 2.121 4.001 715 HB ILE 91 HB ILE 91 213.959 4.178 1.815 716 HG12 ILE 91 HG12 ILE 91 213.855 5.437 3.892 717 HG13 ILE 91 HG11 ILE 91 212.310 5.558 3.057 718 HG21 ILE 91 HG21 ILE 91 211.349 3.751 2.028 719 HG22 ILE 91 HG22 ILE 91 211.911 2.225 2.709 720 HG23 ILE 91 HG23 ILE 91 212.395 2.695 1.080 721 HD11 ILE 91 HD11 ILE 91 211.641 5.196 5.215 722 HD12 ILE 91 HD12 ILE 91 212.999 4.129 5.573 723 HD13 ILE 91 HD13 ILE 91 211.659 3.549 4.585 724 H ALA 92 HN ALA 92 214.108 0.240 3.027 725 HA ALA 92 HA ALA 92 216.079 0.252 0.830 726 HB1 ALA 92 HB1 ALA 92 215.640 -2.104 2.641 727 HB2 ALA 92 HB2 ALA 92 216.759 -0.806 3.059 728 HB3 ALA 92 HB3 ALA 92 217.014 -1.753 1.593 729 H GLN 93 HN GLN 93 215.736 -1.019 -0.945 730 HA GLN 93 HA GLN 93 213.071 -1.548 -1.702 731 HB2 GLN 93 HB2 GLN 93 215.285 -1.086 -3.065 732 HB3 GLN 93 HB1 GLN 93 215.385 -2.838 -3.083 733 HG2 GLN 93 HG2 GLN 93 214.151 -2.714 -4.922 734 HG3 GLN 93 HG1 GLN 93 212.800 -2.410 -3.831 735 HE21 GLN 93 HE21 GLN 93 215.498 -0.290 -4.679 736 HE22 GLN 93 HE22 GLN 93 214.530 0.959 -5.373 737 H LEU 94 HN LEU 94 212.017 -3.485 -2.123 738 HA LEU 94 HA LEU 94 212.389 -5.543 -0.243 739 HB2 LEU 94 HB2 LEU 94 210.537 -6.640 -1.231 740 HB3 LEU 94 HB1 LEU 94 210.214 -4.924 -1.302 741 HG LEU 94 HG LEU 94 211.216 -6.534 -3.654 742 HD11 LEU 94 HD11 LEU 94 209.187 -7.380 -3.847 743 HD12 LEU 94 HD12 LEU 94 208.588 -5.745 -4.117 744 HD13 LEU 94 HD13 LEU 94 208.595 -6.424 -2.490 745 HD21 LEU 94 HD21 LEU 94 211.651 -4.439 -4.388 746 HD22 LEU 94 HD22 LEU 94 210.579 -3.693 -3.212 747 HD23 LEU 94 HD23 LEU 94 209.914 -4.398 -4.678 748 H SER 95 HN SER 95 212.803 -5.710 -3.802 749 HA SER 95 HA SER 95 213.991 -8.284 -3.687 750 HB2 SER 95 HB2 SER 95 213.502 -6.258 -5.825 751 HB3 SER 95 HB1 SER 95 214.628 -7.576 -6.148 752 HG SER 95 HG SER 95 211.906 -7.611 -5.977 753 H ASP 96 HN ASP 96 215.297 -5.349 -2.838 754 HA ASP 96 HA ASP 96 217.976 -6.444 -3.088 755 HB2 ASP 96 HB2 ASP 96 217.196 -3.739 -4.189 756 HB3 ASP 96 HB1 ASP 96 218.856 -4.286 -3.974 757 H ARG 97 HN ARG 97 218.073 -6.647 -0.885 758 HA ARG 97 HA ARG 97 217.409 -4.522 0.902 759 HB2 ARG 97 HB2 ARG 97 218.589 -7.238 1.133 760 HB3 ARG 97 HB1 ARG 97 218.943 -6.107 2.431 761 HG2 ARG 97 HG2 ARG 97 216.146 -6.671 1.495 762 HG3 ARG 97 HG1 ARG 97 216.943 -7.613 2.756 763 HD2 ARG 97 HD2 ARG 97 217.326 -4.897 3.405 764 HD3 ARG 97 HD1 ARG 97 215.633 -5.075 2.947 765 HE ARG 97 HE ARG 97 215.280 -6.367 4.819 766 HH11 ARG 97 HH11 ARG 97 218.708 -5.865 4.381 767 HH12 ARG 97 HH12 ARG 97 219.124 -6.496 5.938 768 HH21 ARG 97 HH21 ARG 97 215.829 -7.196 6.865 769 HH22 ARG 97 HH22 ARG 97 217.491 -7.252 7.348 770 H ASP 98 HN ASP 98 220.060 -5.140 -1.108 771 HA ASP 98 HA ASP 98 222.008 -3.788 0.565 772 HB2 ASP 98 HB2 ASP 98 222.259 -5.732 -1.321 773 HB3 ASP 98 HB1 ASP 98 222.677 -4.302 -2.261 774 H ILE 99 HN ILE 99 219.496 -2.558 -0.874 775 HA ILE 99 HA ILE 99 220.920 -0.130 -1.691 776 HB ILE 99 HB ILE 99 220.235 -1.282 -3.758 777 HG12 ILE 99 HG12 ILE 99 218.293 0.939 -3.677 778 HG13 ILE 99 HG11 ILE 99 219.925 1.346 -3.162 779 HG21 ILE 99 HG21 ILE 99 217.509 -1.144 -2.505 780 HG22 ILE 99 HG22 ILE 99 218.380 -2.561 -3.084 781 HG23 ILE 99 HG23 ILE 99 217.757 -1.382 -4.235 782 HD11 ILE 99 HD11 ILE 99 219.855 -0.208 -5.620 783 HD12 ILE 99 HD12 ILE 99 220.705 1.290 -5.245 784 HD13 ILE 99 HD13 ILE 99 219.013 1.336 -5.739 785 H VAL 100 HN VAL 100 219.895 1.772 -1.126 786 HA VAL 100 HA VAL 100 217.233 1.674 0.032 787 HB VAL 100 HB VAL 100 217.907 2.706 2.141 788 HG11 VAL 100 HG11 VAL 100 218.192 0.722 3.164 789 HG12 VAL 100 HG12 VAL 100 219.597 0.302 2.184 790 HG13 VAL 100 HG13 VAL 100 217.974 0.081 1.540 791 HG21 VAL 100 HG21 VAL 100 219.987 3.745 1.395 792 HG22 VAL 100 HG22 VAL 100 220.730 2.154 1.239 793 HG23 VAL 100 HG23 VAL 100 220.251 2.751 2.828 794 H LEU 101 HN LEU 101 216.162 3.589 -0.075 795 HA LEU 101 HA LEU 101 216.882 5.540 -1.843 796 HB2 LEU 101 HB2 LEU 101 215.242 6.019 0.630 797 HB3 LEU 101 HB1 LEU 101 215.232 6.990 -0.818 798 HG LEU 101 HG LEU 101 214.509 4.110 -0.994 799 HD11 LEU 101 HD11 LEU 101 213.208 5.685 0.799 800 HD12 LEU 101 HD12 LEU 101 212.484 4.321 -0.052 801 HD13 LEU 101 HD13 LEU 101 212.263 5.959 -0.664 802 HD21 LEU 101 HD21 LEU 101 213.482 6.509 -2.490 803 HD22 LEU 101 HD22 LEU 101 213.263 4.808 -2.901 804 HD23 LEU 101 HD23 LEU 101 214.863 5.542 -3.010 805 H ASP 102 HN ASP 102 217.530 7.653 -1.699 806 HA ASP 102 HA ASP 102 218.956 8.577 0.636 807 HB2 ASP 102 HB2 ASP 102 220.518 7.012 -0.407 808 HB3 ASP 102 HB1 ASP 102 220.350 7.852 -1.940 809 H ILE 103 HN ILE 103 220.029 10.723 0.134 810 HA ILE 103 HA ILE 103 218.200 12.315 -1.481 811 HB ILE 103 HB ILE 103 220.499 13.321 0.193 812 HG12 ILE 103 HG12 ILE 103 219.045 12.005 1.632 813 HG13 ILE 103 HG11 ILE 103 218.816 13.717 1.970 814 HG21 ILE 103 HG21 ILE 103 218.038 14.896 -0.193 815 HG22 ILE 103 HG22 ILE 103 219.040 14.663 -1.625 816 HG23 ILE 103 HG23 ILE 103 219.726 15.407 -0.181 817 HD11 ILE 103 HD11 ILE 103 216.929 13.114 0.019 818 HD12 ILE 103 HD12 ILE 103 216.644 13.372 1.740 819 HD13 ILE 103 HD13 ILE 103 216.908 11.741 1.125 820 H ILE 104 HN ILE 104 218.666 12.847 -3.543 821 HA ILE 104 HA ILE 104 221.116 12.162 -4.752 822 HB ILE 104 HB ILE 104 219.034 12.310 -6.021 823 HG12 ILE 104 HG12 ILE 104 219.922 13.663 -7.961 824 HG13 ILE 104 HG11 ILE 104 221.246 14.164 -6.914 825 HG21 ILE 104 HG21 ILE 104 217.723 14.130 -6.167 826 HG22 ILE 104 HG22 ILE 104 219.093 15.238 -6.256 827 HG23 ILE 104 HG23 ILE 104 218.562 14.616 -4.693 828 HD11 ILE 104 HD11 ILE 104 221.833 11.765 -6.629 829 HD12 ILE 104 HD12 ILE 104 221.999 12.365 -8.279 830 HD13 ILE 104 HD13 ILE 104 220.607 11.376 -7.836 831 H LYS 105 HN LYS 105 222.893 13.305 -5.267 832 HA LYS 105 HA LYS 105 224.419 14.991 -5.364 833 HB2 LYS 105 HB2 LYS 105 221.934 16.356 -5.585 834 HB3 LYS 105 HB1 LYS 105 222.963 17.289 -4.507 835 HG2 LYS 105 HG2 LYS 105 224.295 16.332 -6.935 836 HG3 LYS 105 HG1 LYS 105 222.974 17.469 -7.213 837 HD2 LYS 105 HD2 LYS 105 224.810 18.201 -5.036 838 HD3 LYS 105 HD1 LYS 105 225.531 18.187 -6.647 839 HE2 LYS 105 HE2 LYS 105 224.716 20.273 -6.793 840 HE3 LYS 105 HE1 LYS 105 223.182 19.469 -7.123 841 HZ1 LYS 105 HZ1 LYS 105 224.104 20.312 -4.429 842 HZ2 LYS 105 HZ2 LYS 105 222.598 19.642 -4.811 843 HZ3 LYS 105 HZ3 LYS 105 223.011 21.176 -5.390 844 H SER 106 HN SER 106 222.812 14.034 -2.625 845 HA SER 106 HA SER 106 223.112 14.315 -0.376 846 HB2 SER 106 HB2 SER 106 225.099 13.033 -0.964 847 HB3 SER 106 HB1 SER 106 225.968 14.516 -1.357 848 HG SER 106 HG SER 106 225.748 15.125 0.841 849 H ASP 107 HN ASP 107 222.554 16.786 -1.815 850 HA ASP 107 HA ASP 107 224.144 18.765 -0.361 851 HB2 ASP 107 HB2 ASP 107 223.419 18.824 -2.917 852 HB3 ASP 107 HB1 ASP 107 221.970 19.561 -2.241 853 H LYS 108 HN LYS 108 223.076 20.531 0.742 854 HA LYS 108 HA LYS 108 220.950 19.590 2.431 855 HB2 LYS 108 HB2 LYS 108 222.989 21.558 2.574 856 HB3 LYS 108 HB1 LYS 108 221.454 22.389 2.782 857 HG2 LYS 108 HG2 LYS 108 221.852 21.849 4.942 858 HG3 LYS 108 HG1 LYS 108 221.027 20.369 4.450 859 HD2 LYS 108 HD2 LYS 108 222.939 19.126 4.495 860 HD3 LYS 108 HD1 LYS 108 223.967 20.494 4.063 861 HE2 LYS 108 HE2 LYS 108 222.596 20.482 6.711 862 HE3 LYS 108 HE1 LYS 108 224.025 19.474 6.482 863 HZ1 LYS 108 HZ1 LYS 108 224.128 22.016 7.245 864 HZ2 LYS 108 HZ2 LYS 108 224.250 22.223 5.570 865 HZ3 LYS 108 HZ3 LYS 108 225.373 21.256 6.385 866 H GLU 109 HN GLU 109 221.084 21.223 -0.525 867 HA GLU 109 HA GLU 109 219.071 23.088 -0.481 868 HB2 GLU 109 HB2 GLU 109 220.562 21.814 -2.445 869 HB3 GLU 109 HB1 GLU 109 218.901 21.419 -2.863 870 HG2 GLU 109 HG2 GLU 109 218.493 23.962 -2.533 871 HG3 GLU 109 HG1 GLU 109 220.240 24.080 -2.740 872 H ALA 110 HN ALA 110 216.914 23.093 -0.294 873 HA ALA 110 HA ALA 110 215.567 20.666 0.442 874 HB1 ALA 110 HB1 ALA 110 213.861 21.995 1.197 875 HB2 ALA 110 HB2 ALA 110 214.074 23.188 -0.085 876 HB3 ALA 110 HB3 ALA 110 215.204 23.136 1.268 877 H GLY 111 HN GLY 111 213.562 19.919 -0.561 878 HA2 GLY 111 HA2 GLY 111 212.241 19.333 -2.349 879 HA3 GLY 111 HA1 GLY 111 212.853 20.744 -3.200 880 H ALA 112 HN ALA 112 215.273 18.675 -1.975 881 HA ALA 112 HA ALA 112 216.144 18.013 -4.621 882 HB1 ALA 112 HB1 ALA 112 217.762 16.538 -3.073 883 HB2 ALA 112 HB2 ALA 112 217.193 17.703 -1.877 884 HB3 ALA 112 HB3 ALA 112 217.994 18.265 -3.343 885 H HIS 113 HN HIS 113 215.865 16.186 -5.735 886 HA HIS 113 HA HIS 113 213.896 14.322 -4.970 887 HB2 HIS 113 HB2 HIS 113 215.816 14.588 -7.229 888 HB3 HIS 113 HB1 HIS 113 215.094 13.005 -6.960 889 HD1 HIS 113 HD1 HIS 113 214.537 15.986 -8.803 890 HD2 HIS 113 HD2 HIS 113 212.080 13.324 -6.768 891 HE1 HIS 113 HE1 HIS 113 212.229 16.358 -9.730 892 HE2 HIS 113 HE2 HIS 113 210.745 14.805 -8.415 893 H ILE 114 HN ILE 114 214.369 11.898 -5.100 894 HA ILE 114 HA ILE 114 216.839 11.203 -3.691 895 HB ILE 114 HB ILE 114 215.296 9.509 -2.441 896 HG12 ILE 114 HG12 ILE 114 213.282 10.365 -3.758 897 HG13 ILE 114 HG11 ILE 114 213.080 10.157 -2.023 898 HG21 ILE 114 HG21 ILE 114 214.807 11.790 -0.914 899 HG22 ILE 114 HG22 ILE 114 216.275 12.140 -1.826 900 HG23 ILE 114 HG23 ILE 114 216.193 10.706 -0.803 901 HD11 ILE 114 HD11 ILE 114 212.069 12.181 -2.392 902 HD12 ILE 114 HD12 ILE 114 213.231 12.662 -3.626 903 HD13 ILE 114 HD13 ILE 114 213.692 12.682 -1.925 904 H CYS 115 HN CYS 115 217.296 8.847 -3.762 905 HA CYS 115 HA CYS 115 215.886 7.292 -5.736 906 HB2 CYS 115 HB2 CYS 115 217.687 8.763 -6.891 907 HB3 CYS 115 HB1 CYS 115 218.840 7.680 -6.119 908 HG CYS 115 HG CYS 115 216.851 6.082 -7.700 909 H ALA 116 HN ALA 116 216.937 5.025 -5.830 910 HA ALA 116 HA ALA 116 217.739 4.348 -3.100 911 HB1 ALA 116 HB1 ALA 116 215.987 3.138 -4.884 912 HB2 ALA 116 HB2 ALA 116 216.567 2.474 -3.357 913 HB3 ALA 116 HB3 ALA 116 217.398 2.085 -4.863 914 H TRP 117 HN TRP 117 219.791 3.919 -2.641 915 HA TRP 117 HA TRP 117 221.539 3.033 -4.827 916 HB2 TRP 117 HB2 TRP 117 221.934 5.410 -4.547 917 HB3 TRP 117 HB1 TRP 117 222.237 5.186 -2.831 918 HD1 TRP 117 HD1 TRP 117 224.687 4.765 -2.150 919 HE1 TRP 117 HE1 TRP 117 226.876 4.292 -3.418 920 HE3 TRP 117 HE3 TRP 117 222.782 4.136 -6.852 921 HZ2 TRP 117 HZ2 TRP 117 227.688 3.726 -6.062 922 HZ3 TRP 117 HZ3 TRP 117 224.332 3.631 -8.695 923 HH2 TRP 117 HH2 TRP 117 226.735 3.431 -8.306 924 H LYS 118 HN LYS 118 223.540 2.114 -4.148 925 HA LYS 118 HA LYS 118 223.205 0.063 -2.263 926 HB2 LYS 118 HB2 LYS 118 224.984 0.565 -4.276 927 HB3 LYS 118 HB1 LYS 118 225.994 0.794 -2.856 928 HG2 LYS 118 HG2 LYS 118 224.297 -1.652 -3.223 929 HG3 LYS 118 HG1 LYS 118 225.928 -1.528 -3.883 930 HD2 LYS 118 HD2 LYS 118 226.348 -0.718 -1.333 931 HD3 LYS 118 HD1 LYS 118 225.029 -1.867 -1.101 932 HE2 LYS 118 HE2 LYS 118 226.305 -3.646 -1.659 933 HE3 LYS 118 HE1 LYS 118 227.197 -2.752 -2.889 934 HZ1 LYS 118 HZ1 LYS 118 227.656 -2.759 0.038 935 HZ2 LYS 118 HZ2 LYS 118 228.355 -1.614 -0.992 936 HZ3 LYS 118 HZ3 LYS 118 228.718 -3.255 -1.182 937 H GLN 119 HN GLN 119 223.339 0.070 -0.117 938 HA GLN 119 HA GLN 119 223.910 2.349 1.393 939 HB2 GLN 119 HB2 GLN 119 222.589 0.317 2.115 940 HB3 GLN 119 HB1 GLN 119 224.126 -0.495 2.381 941 HG2 GLN 119 HG2 GLN 119 224.706 0.936 4.141 942 HG3 GLN 119 HG1 GLN 119 223.467 2.112 3.704 943 HE21 GLN 119 HE21 GLN 119 224.094 -0.983 5.177 944 HE22 GLN 119 HE22 GLN 119 222.579 -1.124 5.995 945 H HIS 120 HN HIS 120 225.754 3.283 1.979 946 HA HIS 120 HA HIS 120 228.186 1.653 2.162 947 HB2 HIS 120 HB2 HIS 120 229.427 3.596 1.080 948 HB3 HIS 120 HB1 HIS 120 228.435 2.609 0.013 949 HD1 HIS 120 HD1 HIS 120 228.227 5.907 1.884 950 HD2 HIS 120 HD2 HIS 120 226.644 4.023 -1.464 951 HE1 HIS 120 HE1 HIS 120 226.846 7.656 0.718 952 HE2 HIS 120 HE2 HIS 120 225.959 6.514 -1.345 953 H GLY 121 HN GLY 121 226.147 3.514 3.823 954 HA2 GLY 121 HA2 GLY 121 226.392 4.443 5.929 955 HA3 GLY 121 HA1 GLY 121 228.125 4.178 5.806 956 H GLY 122 HN GLY 122 225.704 6.126 4.056 957 HA2 GLY 122 HA2 GLY 122 227.578 8.400 4.252 958 HA3 GLY 122 HA1 GLY 122 226.429 8.175 2.943 959 HA PRO 123 HA PRO 123 224.791 10.551 6.947 960 HB2 PRO 123 HB2 PRO 123 225.642 12.947 5.399 961 HB3 PRO 123 HB1 PRO 123 225.651 12.674 7.145 962 HG2 PRO 123 HG2 PRO 123 227.917 12.602 5.749 963 HG3 PRO 123 HG1 PRO 123 227.629 11.466 7.080 964 HD2 PRO 123 HD2 PRO 123 227.501 11.007 4.133 965 HD3 PRO 123 HD1 PRO 123 228.065 9.924 5.422 966 H ASN 124 HN ASN 124 224.785 11.128 3.477 967 HA ASN 124 HA ASN 124 222.260 12.439 3.397 968 HB2 ASN 124 HB2 ASN 124 222.409 11.946 0.927 969 HB3 ASN 124 HB1 ASN 124 223.769 12.843 1.596 970 HD21 ASN 124 HD21 ASN 124 223.431 11.015 -0.761 971 HD22 ASN 124 HD22 ASN 124 224.714 9.869 -0.604 972 H GLN 125 HN GLN 125 223.053 9.241 4.003 973 HA GLN 125 HA GLN 125 220.577 8.215 2.818 974 HB2 GLN 125 HB2 GLN 125 223.189 7.046 3.509 975 HB3 GLN 125 HB1 GLN 125 221.807 6.032 3.897 976 HG2 GLN 125 HG2 GLN 125 221.093 6.656 1.441 977 HG3 GLN 125 HG1 GLN 125 222.826 6.927 1.258 978 HE21 GLN 125 HE21 GLN 125 221.868 5.046 -0.283 979 HE22 GLN 125 HE22 GLN 125 222.248 3.463 0.295 980 H LYS 126 HN LYS 126 221.842 9.263 5.804 981 HA LYS 126 HA LYS 126 220.286 7.534 7.484 982 HB2 LYS 126 HB2 LYS 126 221.416 10.173 8.364 983 HB3 LYS 126 HB1 LYS 126 221.194 8.703 9.300 984 HG2 LYS 126 HG2 LYS 126 223.207 9.041 7.086 985 HG3 LYS 126 HG1 LYS 126 223.554 9.205 8.807 986 HD2 LYS 126 HD2 LYS 126 222.506 6.821 8.961 987 HD3 LYS 126 HD1 LYS 126 222.867 6.756 7.234 988 HE2 LYS 126 HE2 LYS 126 225.003 6.323 7.659 989 HE3 LYS 126 HE1 LYS 126 225.138 7.784 8.637 990 HZ1 LYS 126 HZ1 LYS 126 224.628 5.025 9.477 991 HZ2 LYS 126 HZ2 LYS 126 223.944 6.273 10.390 992 HZ3 LYS 126 HZ3 LYS 126 225.621 6.201 10.180 993 H PHE 127 HN PHE 127 218.320 7.875 8.385 994 HA PHE 127 HA PHE 127 217.019 10.472 8.039 995 HB2 PHE 127 HB2 PHE 127 215.513 7.932 7.462 996 HB3 PHE 127 HB1 PHE 127 215.061 9.586 7.070 997 HD1 PHE 127 HD2 PHE 127 217.239 10.704 5.658 998 HD2 PHE 127 HD1 PHE 127 215.811 6.698 5.566 999 HE1 PHE 127 HE2 PHE 127 218.177 10.427 3.402 1000 HE2 PHE 127 HE1 PHE 127 216.747 6.412 3.309 1001 HZ PHE 127 HZ PHE 127 217.930 8.277 2.225 1002 H ILE 128 HN ILE 128 215.198 10.784 9.490 1003 HA ILE 128 HA ILE 128 215.392 9.042 11.855 1004 HB ILE 128 HB ILE 128 214.209 11.747 12.091 1005 HG12 ILE 128 HG12 ILE 128 217.198 11.279 11.968 1006 HG13 ILE 128 HG11 ILE 128 216.257 12.109 10.732 1007 HG21 ILE 128 HG21 ILE 128 214.187 10.842 14.152 1008 HG22 ILE 128 HG22 ILE 128 215.856 11.412 14.197 1009 HG23 ILE 128 HG23 ILE 128 215.509 9.731 13.791 1010 HD11 ILE 128 HD11 ILE 128 217.484 13.618 12.268 1011 HD12 ILE 128 HD12 ILE 128 216.475 13.028 13.588 1012 HD13 ILE 128 HD13 ILE 128 215.742 13.894 12.237 1013 H ILE 129 HN ILE 129 213.606 8.192 12.697 1014 HA ILE 129 HA ILE 129 211.079 8.684 11.279 1015 HB ILE 129 HB ILE 129 211.775 6.170 12.785 1016 HG12 ILE 129 HG12 ILE 129 213.415 6.414 11.007 1017 HG13 ILE 129 HG11 ILE 129 212.260 5.159 10.571 1018 HG21 ILE 129 HG21 ILE 129 209.393 6.711 12.342 1019 HG22 ILE 129 HG22 ILE 129 209.941 5.208 11.598 1020 HG23 ILE 129 HG23 ILE 129 209.751 6.662 10.616 1021 HD11 ILE 129 HD11 ILE 129 211.905 7.970 9.617 1022 HD12 ILE 129 HD12 ILE 129 211.268 6.472 8.939 1023 HD13 ILE 129 HD13 ILE 129 212.984 6.849 8.786 1024 H GLU 130 HN GLU 130 209.244 9.101 12.414 1025 HA GLU 130 HA GLU 130 209.358 8.959 15.343 1026 HB2 GLU 130 HB2 GLU 130 209.465 11.348 13.871 1027 HB3 GLU 130 HB1 GLU 130 207.817 11.246 14.473 1028 HG2 GLU 130 HG2 GLU 130 208.470 11.344 16.677 1029 HG3 GLU 130 HG1 GLU 130 210.096 10.756 16.331 1030 H SER 131 HN SER 131 207.991 7.210 15.431 1031 HA SER 131 HA SER 131 205.688 6.799 13.924 1032 HB2 SER 131 HB2 SER 131 206.998 5.302 15.713 1033 HB3 SER 131 HB1 SER 131 205.681 5.857 16.747 1034 HG SER 131 HG SER 131 204.283 5.128 14.940 1035 H GLU 132 HN GLU 132 204.082 8.221 13.731 1036 HA GLU 132 HA GLU 132 202.535 9.825 14.239 1037 HB2 GLU 132 HB2 GLU 132 201.592 7.638 15.114 1038 HB3 GLU 132 HB1 GLU 132 202.095 8.162 16.715 1039 HG2 GLU 132 HG2 GLU 132 200.707 10.329 15.901 1040 HG3 GLU 132 HG1 GLU 132 199.844 9.048 15.050
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