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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
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4082 |
1eph ![]() ![]() |
1729 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 388 H/Q atoms Start of MODEL 1 1 1H ASN 1 2H ASN 1 -4.888 1.953 0.353 2 2H ASN 1 3H ASN 1 -6.382 2.610 0.824 3 3H ASN 1 1H ASN 1 -5.402 3.440 -0.287 4 HA ASN 1 HA ASN 1 -4.046 4.277 1.268 5 1HB ASN 1 1HB ASN 1 -6.411 3.482 3.031 6 2HB ASN 1 2HB ASN 1 -5.302 4.817 3.327 7 1HD2 ASN 1 2HD2 ASN 1 -8.072 6.539 1.750 8 2HD2 ASN 1 1HD2 ASN 1 -7.564 5.967 3.265 9 H SER 2 H SER 2 -5.350 1.173 2.267 10 HA SER 2 HA SER 2 -4.291 -0.605 3.368 11 1HB SER 2 1HB SER 2 -1.975 -0.753 3.073 12 2HB SER 2 2HB SER 2 -2.237 0.653 2.023 13 HG SER 2 HG SER 2 -0.952 1.563 3.449 14 OH TYR 3 OH TYR 3 -8.923 6.325 7.866 15 H TYR 3 H TYR 3 -4.214 2.605 4.581 16 HA TYR 3 HA TYR 3 -4.011 3.450 6.762 17 1HB TYR 3 1HB TYR 3 -5.838 1.155 6.686 18 2HB TYR 3 2HB TYR 3 -5.209 1.481 8.298 19 HD1 TYR 3 HD1 TYR 3 -5.193 4.027 8.997 20 HD2 TYR 3 HD2 TYR 3 -7.678 2.417 5.948 21 HE1 TYR 3 HE1 TYR 3 -6.715 5.932 9.236 22 HE2 TYR 3 HE2 TYR 3 -9.208 4.319 6.190 23 HH TYR 3 HH TYR 3 -8.967 6.553 8.799 24 HA PRO 4 HA PRO 4 -0.345 0.941 7.971 25 1HB PRO 4 1HB PRO 4 0.657 3.317 9.327 26 2HB PRO 4 2HB PRO 4 1.314 2.532 7.890 27 1HG PRO 4 1HG PRO 4 -0.056 5.034 7.994 28 2HG PRO 4 2HG PRO 4 0.441 4.163 6.543 29 1HD PRO 4 2HD PRO 4 -2.240 4.480 7.659 30 2HD PRO 4 1HD PRO 4 -1.780 3.801 6.085 31 H GLY 5 H GLY 5 0.306 0.172 10.026 32 1HA GLY 5 1HA GLY 5 0.204 0.039 12.422 33 2HA GLY 5 2HA GLY 5 -1.057 1.272 12.410 34 H CYS 6 H CYS 6 -2.300 -0.149 13.821 35 HA CYS 6 HA CYS 6 -3.991 -1.912 12.276 36 1HB CYS 6 1HB CYS 6 -3.562 -3.814 13.959 37 2HB CYS 6 2HB CYS 6 -2.269 -3.489 12.835 38 HA PRO 7 HA PRO 7 -7.252 -0.620 14.956 39 1HB PRO 7 1HB PRO 7 -7.550 -3.514 15.747 40 2HB PRO 7 2HB PRO 7 -8.774 -2.414 15.094 41 1HG PRO 7 1HG PRO 7 -7.394 -4.411 13.635 42 2HG PRO 7 2HG PRO 7 -8.300 -3.070 12.923 43 1HD PRO 7 2HD PRO 7 -5.460 -3.478 12.894 44 2HD PRO 7 1HD PRO 7 -6.350 -2.103 12.204 45 H SER 8 H SER 8 -6.620 0.386 16.800 46 HA SER 8 HA SER 8 -4.572 -0.257 18.521 47 1HB SER 8 1HB SER 8 -7.264 0.865 19.434 48 2HB SER 8 2HB SER 8 -5.701 1.070 20.255 49 HG SER 8 HG SER 8 -5.338 2.633 18.907 50 H SER 9 H SER 9 -7.665 -1.850 18.380 51 HA SER 9 HA SER 9 -7.840 -3.064 20.884 52 1HB SER 9 1HB SER 9 -9.535 -3.597 19.209 53 2HB SER 9 2HB SER 9 -8.312 -4.223 18.086 54 HG SER 9 HG SER 9 -9.594 -5.590 19.886 55 OH TYR 10 OH TYR 10 -5.371 -8.713 14.444 56 H TYR 10 H TYR 10 -5.425 -3.310 18.561 57 HA TYR 10 HA TYR 10 -4.274 -5.823 19.417 58 1HB TYR 10 1HB TYR 10 -3.677 -3.651 17.417 59 2HB TYR 10 2HB TYR 10 -2.352 -4.708 17.896 60 HD1 TYR 10 HD2 TYR 10 -2.920 -7.218 17.918 61 HD2 TYR 10 HD1 TYR 10 -5.155 -4.381 15.743 62 HE1 TYR 10 HE2 TYR 10 -3.592 -8.985 16.378 63 HE2 TYR 10 HE1 TYR 10 -5.973 -6.131 14.264 64 HH TYR 10 HH TYR 10 -6.213 -8.424 14.083 65 H ASP 11 H ASP 11 -2.684 -2.741 18.990 66 HA ASP 11 HA ASP 11 -0.726 -1.998 20.110 67 1HB ASP 11 1HB ASP 11 -3.102 -1.109 20.866 68 2HB ASP 11 2HB ASP 11 -2.662 -1.889 22.388 69 H GLY 12 H GLY 12 -0.732 -4.898 20.387 70 1HA GLY 12 1HA GLY 12 1.052 -5.071 22.632 71 2HA GLY 12 2HA GLY 12 -0.509 -5.713 23.094 72 OH TYR 13 OH TYR 13 0.400 -10.899 13.822 73 H TYR 13 H TYR 13 -0.661 -6.776 20.098 74 HA TYR 13 HA TYR 13 0.558 -9.323 20.889 75 1HB TYR 13 1HB TYR 13 -1.151 -10.112 19.648 76 2HB TYR 13 2HB TYR 13 -1.521 -8.508 19.076 77 HD1 TYR 13 HD1 TYR 13 0.558 -11.532 18.295 78 HD2 TYR 13 HD2 TYR 13 -1.075 -7.884 16.835 79 HE1 TYR 13 HE1 TYR 13 1.002 -12.240 16.001 80 HE2 TYR 13 HE2 TYR 13 -0.772 -8.660 14.551 81 HH TYR 13 HH TYR 13 -0.445 -11.123 13.425 82 H CYS 14 H CYS 14 1.503 -6.776 18.612 83 HA CYS 14 HA CYS 14 3.473 -8.538 17.383 84 1HB CYS 14 1HB CYS 14 2.527 -5.899 16.947 85 2HB CYS 14 2HB CYS 14 4.213 -5.701 17.361 86 H LEU 15 H LEU 15 5.317 -9.188 18.216 87 HA LEU 15 HA LEU 15 6.371 -7.918 20.652 88 1HB LEU 15 1HB LEU 15 6.232 -10.594 19.490 89 2HB LEU 15 2HB LEU 15 7.837 -10.208 20.103 90 HG LEU 15 HG LEU 15 6.898 -9.537 22.229 91 1HD1 LEU 15 1HD1 LEU 15 4.412 -9.582 20.685 92 2HD1 LEU 15 2HD1 LEU 15 4.231 -10.416 22.215 93 3HD1 LEU 15 3HD1 LEU 15 4.765 -8.741 22.186 94 1HD2 LEU 15 3HD2 LEU 15 6.134 -12.240 21.150 95 2HD2 LEU 15 1HD2 LEU 15 7.461 -11.795 22.225 96 3HD2 LEU 15 2HD2 LEU 15 5.824 -11.829 22.841 97 H ASN 16 H ASN 16 8.512 -7.680 21.012 98 HA ASN 16 HA ASN 16 10.384 -6.301 20.377 99 1HB ASN 16 1HB ASN 16 10.937 -8.904 18.986 100 2HB ASN 16 2HB ASN 16 12.015 -7.916 19.967 101 1HD2 ASN 16 2HD2 ASN 16 10.569 -10.754 22.005 102 2HD2 ASN 16 1HD2 ASN 16 11.444 -10.684 20.540 103 H GLY 17 H GLY 17 10.215 -4.681 19.017 104 1HA GLY 17 1HA GLY 17 10.009 -3.513 16.982 105 2HA GLY 17 2HA GLY 17 11.338 -4.572 16.530 106 H GLY 18 H GLY 18 7.888 -5.263 17.112 107 1HA GLY 18 1HA GLY 18 7.846 -6.643 14.478 108 2HA GLY 18 2HA GLY 18 6.678 -6.888 15.771 109 H VAL 19 H VAL 19 7.231 -5.322 12.848 110 HA VAL 19 HA VAL 19 5.640 -2.975 13.322 111 HB VAL 19 HB VAL 19 6.052 -4.319 10.637 112 1HG1 VAL 19 1HG1 VAL 19 4.633 -2.120 11.212 113 2HG1 VAL 19 2HG1 VAL 19 6.226 -1.375 11.133 114 3HG1 VAL 19 3HG1 VAL 19 5.586 -2.235 9.736 115 1HG2 VAL 19 2HG2 VAL 19 7.985 -2.599 12.223 116 2HG2 VAL 19 3HG2 VAL 19 8.242 -4.265 11.715 117 3HG2 VAL 19 1HG2 VAL 19 8.182 -2.976 10.515 118 H CYS 20 H CYS 20 3.538 -2.879 13.524 119 HA CYS 20 HA CYS 20 1.892 -5.240 12.983 120 1HB CYS 20 1HB CYS 20 1.800 -3.348 14.882 121 2HB CYS 20 2HB CYS 20 0.774 -2.552 13.721 122 H MET 21 H MET 21 1.471 -5.578 10.870 123 HA MET 21 HA MET 21 0.850 -3.254 9.151 124 1HB MET 21 1HB MET 21 1.671 -6.076 8.740 125 2HB MET 21 2HB MET 21 0.509 -5.479 7.559 126 1HG MET 21 1HG MET 21 2.971 -3.949 8.352 127 2HG MET 21 2HG MET 21 2.987 -5.104 7.051 128 1HE MET 21 2HE MET 21 2.703 -4.618 4.780 129 2HE MET 21 3HE MET 21 0.983 -4.866 5.086 130 3HE MET 21 1HE MET 21 1.517 -3.502 4.104 131 H HIS 22 H HIS 22 -0.976 -3.372 7.695 132 HA HIS 22 HA HIS 22 -3.305 -4.933 8.692 133 1HB HIS 22 1HB HIS 22 -3.520 -2.960 10.036 134 2HB HIS 22 2HB HIS 22 -3.078 -1.903 8.698 135 HD1 HIS 22 HD1 HIS 22 -5.451 -0.837 9.267 136 HD2 HIS 22 HD2 HIS 22 -5.720 -4.602 7.744 137 HE1 HIS 22 HE1 HIS 22 -7.802 -1.181 8.740 138 H ILE 23 H ILE 23 -3.968 -5.869 6.849 139 HA ILE 23 HA ILE 23 -3.778 -4.460 4.317 140 HB ILE 23 HB ILE 23 -5.238 -7.076 4.854 141 1HG1 ILE 23 1HG1 ILE 23 -2.927 -7.149 5.880 142 2HG1 ILE 23 2HG1 ILE 23 -3.229 -8.354 4.644 143 1HG2 ILE 23 1HG2 ILE 23 -4.239 -5.629 2.452 144 2HG2 ILE 23 2HG2 ILE 23 -3.872 -7.348 2.462 145 3HG2 ILE 23 3HG2 ILE 23 -5.536 -6.803 2.592 146 1HD1 ILE 23 1HD1 ILE 23 -2.132 -5.860 3.532 147 2HD1 ILE 23 2HD1 ILE 23 -1.058 -6.634 4.693 148 3HD1 ILE 23 3HD1 ILE 23 -1.622 -7.524 3.286 149 H GLU 24 H GLU 24 -5.424 -3.271 3.473 150 HA GLU 24 HA GLU 24 -7.876 -3.003 5.036 151 1HB GLU 24 1HB GLU 24 -6.480 -1.515 2.992 152 2HB GLU 24 2HB GLU 24 -8.142 -1.758 2.462 153 1HG GLU 24 1HG GLU 24 -8.971 -0.892 4.620 154 2HG GLU 24 2HG GLU 24 -7.313 -0.676 5.177 155 H SER 25 H SER 25 -9.968 -2.820 3.606 156 HA SER 25 HA SER 25 -11.592 -3.883 2.294 157 1HB SER 25 1HB SER 25 -9.382 -4.173 0.748 158 2HB SER 25 2HB SER 25 -9.617 -5.875 1.193 159 HG SER 25 HG SER 25 -10.882 -5.152 -0.651 160 H LEU 26 H LEU 26 -9.190 -6.357 3.070 161 HA LEU 26 HA LEU 26 -11.254 -8.096 4.067 162 1HB LEU 26 1HB LEU 26 -8.357 -8.277 3.394 163 2HB LEU 26 2HB LEU 26 -8.846 -9.290 4.745 164 HG LEU 26 HG LEU 26 -10.760 -10.105 3.183 165 1HD1 LEU 26 2HD1 LEU 26 -10.364 -8.272 1.496 166 2HD1 LEU 26 3HD1 LEU 26 -8.813 -9.020 1.122 167 3HD1 LEU 26 1HD1 LEU 26 -10.310 -9.888 0.797 168 1HD2 LEU 26 1HD2 LEU 26 -7.851 -10.752 3.124 169 2HD2 LEU 26 2HD2 LEU 26 -9.216 -11.768 3.577 170 3HD2 LEU 26 3HD2 LEU 26 -8.856 -11.483 1.877 171 H ASP 27 H ASP 27 -9.783 -5.504 5.199 172 HA ASP 27 HA ASP 27 -9.034 -4.746 7.297 173 1HB ASP 27 1HB ASP 27 -10.989 -5.409 9.022 174 2HB ASP 27 2HB ASP 27 -11.297 -4.296 7.697 175 H SER 28 H SER 28 -7.924 -7.348 6.622 176 HA SER 28 HA SER 28 -7.983 -8.869 9.097 177 1HB SER 28 1HB SER 28 -7.682 -9.941 6.793 178 2HB SER 28 2HB SER 28 -6.075 -9.194 6.730 179 HG SER 28 HG SER 28 -6.695 -10.434 9.110 180 OH TYR 29 OH TYR 29 -8.861 -4.170 10.917 181 H TYR 29 H TYR 29 -5.464 -9.609 9.670 182 HA TYR 29 HA TYR 29 -3.799 -7.166 9.785 183 1HB TYR 29 1HB TYR 29 -4.843 -8.615 12.248 184 2HB TYR 29 2HB TYR 29 -3.707 -7.263 12.277 185 HD1 TYR 29 HD2 TYR 29 -4.457 -5.146 11.001 186 HD2 TYR 29 HD1 TYR 29 -7.170 -8.120 12.312 187 HE1 TYR 29 HE2 TYR 29 -6.308 -3.652 10.553 188 HE2 TYR 29 HE1 TYR 29 -9.047 -6.634 11.829 189 HH TYR 29 HH TYR 29 -9.618 -4.699 10.655 190 H THR 30 H THR 30 -1.667 -7.501 10.570 191 HA THR 30 HA THR 30 -0.754 -10.179 11.217 192 HB THR 30 HB THR 30 -0.991 -10.215 8.656 193 HG1 THR 30 HG1 THR 30 0.904 -11.249 8.586 194 1HG2 THR 30 2HG2 THR 30 -0.153 -7.664 8.600 195 2HG2 THR 30 3HG2 THR 30 1.445 -8.396 8.690 196 3HG2 THR 30 1HG2 THR 30 0.387 -8.763 7.334 197 H CYS 31 H CYS 31 1.851 -9.957 10.737 198 HA CYS 31 HA CYS 31 2.786 -7.320 11.643 199 1HB CYS 31 1HB CYS 31 2.615 -9.766 13.335 200 2HB CYS 31 2HB CYS 31 4.125 -8.901 13.433 201 H ASN 32 H ASN 32 5.258 -7.413 12.010 202 HA ASN 32 HA ASN 32 6.580 -9.482 10.369 203 1HB ASN 32 1HB ASN 32 5.796 -7.580 8.832 204 2HB ASN 32 2HB ASN 32 6.887 -6.517 9.716 205 1HD2 ASN 32 2HD2 ASN 32 9.845 -8.300 8.524 206 2HD2 ASN 32 1HD2 ASN 32 9.221 -7.667 9.970 207 H CYS 33 H CYS 33 8.525 -9.962 11.165 208 HA CYS 33 HA CYS 33 9.559 -8.283 13.361 209 1HB CYS 33 1HB CYS 33 10.867 -10.814 12.398 210 2HB CYS 33 2HB CYS 33 10.747 -10.193 14.030 211 H VAL 34 H VAL 34 12.349 -9.323 12.893 212 HA VAL 34 HA VAL 34 13.166 -8.139 10.373 213 HB VAL 34 HB VAL 34 14.516 -6.538 12.419 214 1HG1 VAL 34 1HG1 VAL 34 14.538 -6.165 9.974 215 2HG1 VAL 34 2HG1 VAL 34 12.814 -5.803 10.027 216 3HG1 VAL 34 3HG1 VAL 34 13.962 -4.751 10.852 217 1HG2 VAL 34 2HG2 VAL 34 12.092 -6.757 13.422 218 2HG2 VAL 34 3HG2 VAL 34 12.788 -5.162 13.226 219 3HG2 VAL 34 1HG2 VAL 34 11.624 -5.766 12.050 220 H ILE 35 H ILE 35 15.662 -7.303 11.041 221 HA ILE 35 HA ILE 35 17.140 -9.733 11.032 222 HB ILE 35 HB ILE 35 17.867 -7.793 9.800 223 1HG1 ILE 35 1HG1 ILE 35 19.846 -7.444 11.953 224 2HG1 ILE 35 2HG1 ILE 35 19.583 -9.105 11.448 225 1HG2 ILE 35 1HG2 ILE 35 17.443 -6.429 12.484 226 2HG2 ILE 35 2HG2 ILE 35 18.514 -5.685 11.298 227 3HG2 ILE 35 3HG2 ILE 35 16.824 -5.957 10.908 228 1HD1 ILE 35 1HD1 ILE 35 20.013 -6.880 9.445 229 2HD1 ILE 35 2HD1 ILE 35 21.362 -7.774 10.140 230 3HD1 ILE 35 3HD1 ILE 35 20.149 -8.616 9.183 231 H GLY 36 H GLY 36 15.890 -10.066 13.328 232 1HA GLY 36 1HA GLY 36 17.536 -10.902 15.233 233 2HA GLY 36 2HA GLY 36 17.628 -9.192 15.594 234 OH TYR 37 OH TYR 37 14.600 -4.592 18.136 235 H TYR 37 H TYR 37 14.855 -10.553 14.257 236 HA TYR 37 HA TYR 37 13.462 -10.827 16.812 237 1HB TYR 37 1HB TYR 37 12.598 -9.030 14.533 238 2HB TYR 37 2HB TYR 37 11.655 -9.338 15.976 239 HD1 TYR 37 HD2 TYR 37 13.083 -8.833 18.291 240 HD2 TYR 37 HD1 TYR 37 13.964 -7.153 14.493 241 HE1 TYR 37 HE2 TYR 37 13.916 -6.849 19.334 242 HE2 TYR 37 HE1 TYR 37 14.535 -5.019 15.509 243 HH TYR 37 HH TYR 37 14.901 -3.983 17.459 244 H SER 38 H SER 38 12.664 -12.820 16.671 245 HA SER 38 HA SER 38 11.061 -13.546 14.315 246 1HB SER 38 1HB SER 38 12.451 -15.305 13.507 247 2HB SER 38 2HB SER 38 13.669 -14.117 14.011 248 HG SER 38 HG SER 38 13.913 -16.277 14.936 249 H GLY 39 H GLY 39 11.131 -16.348 14.733 250 1HA GLY 39 1HA GLY 39 10.468 -18.029 16.321 251 2HA GLY 39 2HA GLY 39 10.290 -16.768 17.543 252 H ASP 40 H ASP 40 8.132 -17.502 18.074 253 HA ASP 40 HA ASP 40 6.004 -18.002 16.324 254 1HB ASP 40 1HB ASP 40 6.042 -16.417 18.942 255 2HB ASP 40 2HB ASP 40 4.551 -16.927 18.152 256 NH1 ARG 41 NH2 ARG 41 4.419 -13.825 21.673 257 NH2 ARG 41 NH1 ARG 41 2.421 -12.836 22.175 258 H ARG 41 H ARG 41 5.478 -14.997 17.956 259 HA ARG 41 HA ARG 41 4.768 -13.781 15.407 260 1HB ARG 41 1HB ARG 41 5.254 -12.011 17.808 261 2HB ARG 41 2HB ARG 41 3.908 -12.011 16.683 262 1HG ARG 41 1HG ARG 41 3.022 -14.069 17.776 263 2HG ARG 41 2HG ARG 41 4.356 -14.007 18.936 264 1HD ARG 41 1HD ARG 41 2.769 -11.541 18.582 265 2HD ARG 41 2HD ARG 41 1.952 -12.886 19.374 266 HE ARG 41 HE ARG 41 4.155 -11.326 20.485 267 1HH1 ARG 41 1HH2 ARG 41 5.224 -13.881 21.081 268 2HH1 ARG 41 2HH2 ARG 41 4.332 -14.442 22.456 269 1HH2 ARG 41 1HH1 ARG 41 1.726 -12.148 21.958 270 2HH2 ARG 41 2HH1 ARG 41 2.298 -13.439 22.962 271 H CYS 42 H CYS 42 7.004 -12.837 17.941 272 HA CYS 42 HA CYS 42 9.342 -12.727 16.323 273 1HB CYS 42 1HB CYS 42 8.192 -10.049 17.098 274 2HB CYS 42 2HB CYS 42 9.658 -10.333 16.205 275 H GLN 43 H GLN 43 8.349 -13.557 18.913 276 HA GLN 43 HA GLN 43 9.333 -11.800 20.947 277 1HB GLN 43 1HB GLN 43 8.832 -13.577 22.444 278 2HB GLN 43 2HB GLN 43 7.756 -13.920 21.094 279 1HG GLN 43 1HG GLN 43 9.748 -15.362 20.193 280 2HG GLN 43 2HG GLN 43 10.344 -15.277 21.853 281 1HE2 GLN 43 2HE2 GLN 43 6.951 -17.418 21.041 282 2HE2 GLN 43 1HE2 GLN 43 7.545 -16.311 19.899 283 H THR 44 H THR 44 11.049 -13.553 18.664 284 HA THR 44 HA THR 44 13.239 -14.300 20.411 285 HB THR 44 HB THR 44 13.247 -14.331 17.360 286 HG1 THR 44 HG1 THR 44 12.610 -16.642 18.228 287 1HG2 THR 44 2HG2 THR 44 15.150 -15.120 19.325 288 2HG2 THR 44 3HG2 THR 44 14.315 -16.611 18.898 289 3HG2 THR 44 1HG2 THR 44 15.126 -15.665 17.652 290 NH1 ARG 45 NH2 ARG 45 16.025 -8.464 24.623 291 NH2 ARG 45 NH1 ARG 45 15.958 -6.194 24.374 292 H ARG 45 H ARG 45 13.690 -12.131 21.203 293 HA ARG 45 HA ARG 45 15.048 -10.266 19.343 294 1HB ARG 45 1HB ARG 45 13.419 -9.508 21.110 295 2HB ARG 45 2HB ARG 45 14.470 -10.185 22.351 296 1HG ARG 45 1HG ARG 45 16.188 -8.667 21.911 297 2HG ARG 45 2HG ARG 45 15.563 -8.271 20.320 298 1HD ARG 45 1HD ARG 45 15.027 -6.392 21.712 299 2HD ARG 45 2HD ARG 45 13.527 -7.284 21.499 300 HE ARG 45 HE ARG 45 13.542 -7.696 23.816 301 1HH1 ARG 45 1HH2 ARG 45 15.624 -9.359 24.427 302 2HH1 ARG 45 2HH2 ARG 45 16.847 -8.398 25.189 303 1HH2 ARG 45 1HH1 ARG 45 15.508 -5.389 23.988 304 2HH2 ARG 45 2HH1 ARG 45 16.778 -6.088 24.936 305 H ASP 46 H ASP 46 16.921 -11.742 18.980 306 HA ASP 46 HA ASP 46 18.635 -12.196 21.419 307 1HB ASP 46 1HB ASP 46 17.811 -14.196 20.080 308 2HB ASP 46 2HB ASP 46 18.803 -13.629 18.742 309 H LEU 47 H LEU 47 21.029 -12.636 20.717 310 HA LEU 47 HA LEU 47 22.275 -10.182 20.079 311 1HB LEU 47 1HB LEU 47 23.186 -13.063 20.065 312 2HB LEU 47 2HB LEU 47 24.289 -11.785 19.567 313 HG LEU 47 HG LEU 47 22.761 -11.457 22.130 314 1HD1 LEU 47 1HD1 LEU 47 25.057 -13.341 21.616 315 2HD1 LEU 47 2HD1 LEU 47 24.905 -12.547 23.179 316 3HD1 LEU 47 3HD1 LEU 47 23.619 -13.600 22.597 317 1HD2 LEU 47 1HD2 LEU 47 24.462 -9.830 20.845 318 2HD2 LEU 47 2HD2 LEU 47 24.419 -9.906 22.603 319 3HD2 LEU 47 3HD2 LEU 47 25.650 -10.797 21.712 320 NH1 ARG 48 NH1 ARG 48 21.466 -14.318 15.322 321 NH2 ARG 48 NH2 ARG 48 19.820 -15.851 14.926 322 H ARG 48 H ARG 48 20.908 -9.690 18.133 323 HA ARG 48 HA ARG 48 22.452 -10.333 15.804 324 1HB ARG 48 1HB ARG 48 19.773 -10.484 14.891 325 2HB ARG 48 2HB ARG 48 20.930 -11.785 14.954 326 1HG ARG 48 1HG ARG 48 20.217 -12.146 17.396 327 2HG ARG 48 2HG ARG 48 18.883 -11.050 17.089 328 1HD ARG 48 1HD ARG 48 17.804 -12.934 16.362 329 2HD ARG 48 2HD ARG 48 18.829 -12.829 14.930 330 HE ARG 48 HE ARG 48 19.364 -14.563 17.292 331 1HH1 ARG 48 1HH1 ARG 48 21.777 -13.502 15.810 332 2HH1 ARG 48 2HH1 ARG 48 22.071 -14.770 14.668 333 1HH2 ARG 48 1HH2 ARG 48 18.898 -16.185 15.118 334 2HH2 ARG 48 2HH2 ARG 48 20.398 -16.328 14.264 335 CH2 TRP 49 CH2 TRP 49 17.211 -2.384 12.788 336 H TRP 49 H TRP 49 19.326 -8.978 15.680 337 HA TRP 49 HA TRP 49 19.775 -6.812 14.191 338 1HB TRP 49 1HB TRP 49 17.494 -7.127 14.822 339 2HB TRP 49 2HB TRP 49 17.918 -7.145 16.524 340 HD1 TRP 49 HD1 TRP 49 16.654 -5.340 17.487 341 HE1 TRP 49 HE1 TRP 49 15.617 -3.273 16.539 342 HE3 TRP 49 HE3 TRP 49 19.343 -4.904 13.352 343 HZ2 TRP 49 HZ2 TRP 49 15.604 -1.892 14.089 344 HZ3 TRP 49 HZ3 TRP 49 18.788 -3.241 11.633 345 HH2 TRP 49 HH2 TRP 49 16.993 -1.611 12.066 346 CH2 TRP 50 CH2 TRP 50 20.451 -9.066 21.466 347 H TRP 50 H TRP 50 19.268 -6.101 17.496 348 HA TRP 50 HA TRP 50 20.722 -3.657 17.292 349 1HB TRP 50 1HB TRP 50 20.934 -4.118 20.007 350 2HB TRP 50 2HB TRP 50 19.490 -3.468 19.248 351 HD1 TRP 50 HD1 TRP 50 17.299 -4.909 19.484 352 HE1 TRP 50 HE1 TRP 50 16.918 -7.335 19.981 353 HE3 TRP 50 HE3 TRP 50 21.907 -6.152 20.649 354 HZ2 TRP 50 HZ2 TRP 50 18.433 -9.592 21.018 355 HZ3 TRP 50 HZ3 TRP 50 22.439 -8.312 21.678 356 HH2 TRP 50 HH2 TRP 50 20.681 -10.014 21.927 357 H GLU 51 H GLU 51 21.802 -6.819 18.450 358 HA GLU 51 HA GLU 51 23.967 -7.574 18.963 359 1HB GLU 51 1HB GLU 51 23.912 -6.231 16.404 360 2HB GLU 51 2HB GLU 51 25.475 -5.934 17.157 361 1HG GLU 51 1HG GLU 51 24.213 -8.684 16.906 362 2HG GLU 51 2HG GLU 51 25.411 -8.047 15.785 363 H LEU 52 H LEU 52 22.998 -4.952 20.207 364 HA LEU 52 HA LEU 52 23.836 -3.453 21.777 365 1HB LEU 52 1HB LEU 52 25.629 -5.717 21.822 366 2HB LEU 52 2HB LEU 52 26.610 -4.263 21.916 367 HG LEU 52 HG LEU 52 24.966 -3.485 23.758 368 1HD1 LEU 52 3HD1 LEU 52 23.228 -5.199 23.220 369 2HD1 LEU 52 1HD1 LEU 52 24.353 -6.464 23.703 370 3HD1 LEU 52 2HD1 LEU 52 23.761 -5.308 24.895 371 1HD2 LEU 52 3HD2 LEU 52 26.778 -5.889 24.138 372 2HD2 LEU 52 1HD2 LEU 52 27.232 -4.193 24.284 373 3HD2 LEU 52 2HD2 LEU 52 26.137 -4.918 25.459 374 NH1 ARG 53 NH2 ARG 53 24.127 -2.003 12.791 375 NH2 ARG 53 NH1 ARG 53 22.678 -2.907 14.310 376 H ARG 53 H ARG 53 24.958 -3.701 18.684 377 HA ARG 53 HA ARG 53 27.141 -2.130 18.356 378 1HB ARG 53 1HB ARG 53 24.671 -2.609 16.837 379 2HB ARG 53 2HB ARG 53 25.353 -1.023 16.493 380 1HG ARG 53 1HG ARG 53 27.574 -2.121 16.082 381 2HG ARG 53 2HG ARG 53 26.802 -3.687 16.309 382 1HD ARG 53 1HD ARG 53 26.081 -1.630 14.193 383 2HD ARG 53 2HD ARG 53 26.918 -3.157 13.914 384 HE ARG 53 HE ARG 53 24.766 -4.249 14.793 385 1HH1 ARG 53 1HH2 ARG 53 25.064 -1.901 12.457 386 2HH1 ARG 53 ARG 53 23.376 -1.533 12.327 387 1HH2 ARG 53 1HH1 ARG 53 22.530 -3.482 15.114 388 2HH2 ARG 53 2HH1 ARG 53 21.902 -2.455 13.869 Start of MODEL 2 Raw file had 388 H/Q atoms Start of MODEL 2 1 1H ASN 1 2H ASN 1 -4.625 1.327 -0.194 2 2H ASN 1 3H ASN 1 -5.908 2.430 -0.325 3 3H ASN 1 1H ASN 1 -4.319 2.997 -0.140 4 HA ASN 1 HA ASN 1 -4.838 3.192 2.000 5 1HB ASN 1 1HB ASN 1 -7.263 2.279 1.149 6 2HB ASN 1 2HB ASN 1 -6.766 0.888 2.108 7 1HD2 ASN 1 2HD2 ASN 1 -6.711 2.782 5.198 8 2HD2 ASN 1 1HD2 ASN 1 -5.873 1.544 4.396 9 H SER 2 H SER 2 -4.693 1.777 4.038 10 HA SER 2 HA SER 2 -3.871 -0.856 4.068 11 1HB SER 2 1HB SER 2 -1.932 -0.533 2.723 12 2HB SER 2 2HB SER 2 -1.658 1.100 3.363 13 HG SER 2 HG SER 2 -1.434 -1.361 4.764 14 OH TYR 3 OH TYR 3 -8.453 5.627 9.285 15 H TYR 3 H TYR 3 -3.924 2.255 5.374 16 HA TYR 3 HA TYR 3 -3.609 3.092 7.536 17 1HB TYR 3 1HB TYR 3 -5.256 0.682 7.548 18 2HB TYR 3 2HB TYR 3 -4.482 0.961 9.110 19 HD1 TYR 3 HD1 TYR 3 -4.530 3.465 9.943 20 HD2 TYR 3 HD2 TYR 3 -7.230 1.866 7.074 21 HE1 TYR 3 HE1 TYR 3 -6.111 5.271 10.430 22 HE2 TYR 3 HE2 TYR 3 -8.812 3.678 7.553 23 HH TYR 3 HH TYR 3 -8.580 6.123 8.472 24 HA PRO 4 HA PRO 4 0.301 0.953 8.586 25 1HB PRO 4 1HB PRO 4 1.232 3.325 9.923 26 2HB PRO 4 2HB PRO 4 1.757 2.721 8.353 27 1HG PRO 4 1HG PRO 4 0.128 5.046 8.899 28 2HG PRO 4 2HG PRO 4 0.662 4.450 7.326 29 1HD PRO 4 2HD PRO 4 -1.982 4.292 8.510 30 2HD PRO 4 1HD PRO 4 -1.481 3.775 6.888 31 H GLY 5 H GLY 5 -0.297 -0.392 10.215 32 1HA GLY 5 1HA GLY 5 0.192 -0.411 12.766 33 2HA GLY 5 2HA GLY 5 -1.062 0.821 12.844 34 H CYS 6 H CYS 6 -2.574 -0.334 14.018 35 HA CYS 6 HA CYS 6 -4.114 -2.291 12.557 36 1HB CYS 6 1HB CYS 6 -3.771 -3.908 14.607 37 2HB CYS 6 2HB CYS 6 -2.538 -3.839 13.379 38 HA PRO 7 HA PRO 7 -7.551 -0.793 14.896 39 1HB PRO 7 1HB PRO 7 -7.869 -3.580 16.007 40 2HB PRO 7 2HB PRO 7 -9.061 -2.588 15.154 41 1HG PRO 7 1HG PRO 7 -7.609 -4.728 14.014 42 2HG PRO 7 2HG PRO 7 -8.437 -3.463 13.102 43 1HD PRO 7 2HD PRO 7 -5.587 -3.879 13.365 44 2HD PRO 7 1HD PRO 7 -6.416 -2.645 12.403 45 H SER 8 H SER 8 -7.008 0.439 16.638 46 HA SER 8 HA SER 8 -5.044 0.080 18.512 47 1HB SER 8 1HB SER 8 -7.804 1.140 19.252 48 2HB SER 8 2HB SER 8 -6.247 1.563 20.005 49 HG SER 8 HG SER 8 -7.216 2.876 18.108 50 H SER 9 H SER 9 -7.997 -1.721 18.387 51 HA SER 9 HA SER 9 -8.193 -2.614 21.049 52 1HB SER 9 1HB SER 9 -8.900 -3.683 18.347 53 2HB SER 9 2HB SER 9 -8.749 -4.912 19.616 54 HG SER 9 HG SER 9 -10.758 -3.298 19.267 55 OH TYR 10 OH TYR 10 -5.678 -8.817 15.414 56 H TYR 10 H TYR 10 -5.638 -2.859 18.953 57 HA TYR 10 HA TYR 10 -4.444 -5.255 20.143 58 1HB TYR 10 1HB TYR 10 -3.916 -3.476 17.764 59 2HB TYR 10 2HB TYR 10 -2.630 -4.512 18.371 60 HD1 TYR 10 HD2 TYR 10 -3.437 -6.995 18.884 61 HD2 TYR 10 HD1 TYR 10 -5.376 -4.370 16.185 62 HE1 TYR 10 HE2 TYR 10 -4.110 -8.900 17.539 63 HE2 TYR 10 HE1 TYR 10 -6.156 -6.268 14.882 64 HH TYR 10 HH TYR 10 -5.943 -9.493 16.042 65 H ASP 11 H ASP 11 -3.079 -2.236 19.014 66 HA ASP 11 HA ASP 11 -1.156 -1.127 19.784 67 1HB ASP 11 1HB ASP 11 -3.479 -0.405 20.801 68 2HB ASP 11 2HB ASP 11 -2.774 -0.999 22.310 69 H GLY 12 H GLY 12 -0.777 -3.903 20.163 70 1HA GLY 12 1HA GLY 12 1.331 -3.857 22.121 71 2HA GLY 12 2HA GLY 12 -0.062 -4.690 22.785 72 OH TYR 13 OH TYR 13 -1.519 -12.917 16.705 73 H TYR 13 H TYR 13 -0.834 -5.889 20.208 74 HA TYR 13 HA TYR 13 0.070 -8.402 20.224 75 1HB TYR 13 1HB TYR 13 -1.291 -7.045 18.359 76 2HB TYR 13 2HB TYR 13 0.246 -7.092 17.512 77 HD1 TYR 13 HD2 TYR 13 -2.342 -9.164 19.113 78 HD2 TYR 13 HD1 TYR 13 1.001 -9.160 16.478 79 HE1 TYR 13 HE2 TYR 13 -2.864 -11.470 18.441 80 HE2 TYR 13 HE1 TYR 13 0.527 -11.484 15.853 81 HH TYR 13 HH TYR 13 -0.878 -13.501 17.116 82 H CYS 14 H CYS 14 1.885 -6.126 18.162 83 HA CYS 14 HA CYS 14 3.966 -7.900 17.528 84 1HB CYS 14 1HB CYS 14 3.471 -5.015 17.424 85 2HB CYS 14 2HB CYS 14 5.165 -5.431 17.481 86 H LEU 15 H LEU 15 5.774 -8.521 18.232 87 HA LEU 15 HA LEU 15 6.710 -7.884 20.971 88 1HB LEU 15 1HB LEU 15 6.558 -10.142 19.144 89 2HB LEU 15 2HB LEU 15 8.220 -9.896 19.638 90 HG LEU 15 HG LEU 15 7.211 -11.430 21.098 91 1HD1 LEU 15 3HD1 LEU 15 8.499 -9.212 21.969 92 2HD1 LEU 15 1HD1 LEU 15 7.032 -9.116 22.930 93 3HD1 LEU 15 2HD1 LEU 15 8.057 -10.547 23.019 94 1HD2 LEU 15 2HD2 LEU 15 4.955 -9.518 21.044 95 2HD2 LEU 15 3HD2 LEU 15 4.947 -11.279 21.019 96 3HD2 LEU 15 1HD2 LEU 15 5.196 -10.423 22.538 97 H ASN 16 H ASN 16 8.898 -7.192 21.313 98 HA ASN 16 HA ASN 16 10.886 -6.025 20.669 99 1HB ASN 16 1HB ASN 16 10.868 -7.985 18.384 100 2HB ASN 16 2HB ASN 16 12.245 -7.436 19.340 101 1HD2 ASN 16 2HD2 ASN 16 10.976 -10.859 20.510 102 2HD2 ASN 16 1HD2 ASN 16 11.400 -10.259 18.967 103 H GLY 17 H GLY 17 10.416 -4.043 20.089 104 1HA GLY 17 1HA GLY 17 9.260 -2.430 18.606 105 2HA GLY 17 2HA GLY 17 10.937 -2.549 18.098 106 H GLY 18 H GLY 18 7.899 -4.305 17.615 107 1HA GLY 18 1HA GLY 18 8.613 -4.564 14.721 108 2HA GLY 18 2HA GLY 18 7.609 -5.717 15.593 109 H VAL 19 H VAL 19 7.047 -4.085 13.186 110 HA VAL 19 HA VAL 19 4.959 -2.263 14.148 111 HB VAL 19 HB VAL 19 5.232 -2.737 11.231 112 1HG1 VAL 19 1HG1 VAL 19 4.025 -0.829 12.507 113 2HG1 VAL 19 2HG1 VAL 19 5.634 -0.167 12.772 114 3HG1 VAL 19 3HG1 VAL 19 5.026 -0.373 11.133 115 1HG2 VAL 19 2HG2 VAL 19 7.548 -1.738 12.915 116 2HG2 VAL 19 3HG2 VAL 19 7.559 -3.092 11.791 117 3HG2 VAL 19 1HG2 VAL 19 7.420 -1.445 11.184 118 H CYS 20 H CYS 20 2.865 -2.835 14.241 119 HA CYS 20 HA CYS 20 2.121 -5.515 13.464 120 1HB CYS 20 1HB CYS 20 -0.062 -4.954 14.324 121 2HB CYS 20 2HB CYS 20 1.144 -4.312 15.405 122 H MET 21 H MET 21 1.683 -6.124 11.456 123 HA MET 21 HA MET 21 1.166 -4.104 9.400 124 1HB MET 21 1HB MET 21 1.919 -6.949 9.516 125 2HB MET 21 2HB MET 21 0.750 -6.621 8.242 126 1HG MET 21 1HG MET 21 3.207 -4.928 8.651 127 2HG MET 21 2HG MET 21 3.250 -6.372 7.681 128 1HE MET 21 2HE MET 21 2.384 -6.764 5.552 129 2HE MET 21 3HE MET 21 0.693 -6.421 5.915 130 3HE MET 21 1HE MET 21 1.467 -5.668 4.521 131 H HIS 22 H HIS 22 -0.548 -4.213 7.911 132 HA HIS 22 HA HIS 22 -3.036 -5.578 8.717 133 1HB HIS 22 1HB HIS 22 -3.110 -3.577 10.128 134 2HB HIS 22 2HB HIS 22 -2.743 -2.546 8.741 135 HD1 HIS 22 HD1 HIS 22 -5.201 -1.615 9.416 136 HD2 HIS 22 HD2 HIS 22 -5.191 -5.354 7.816 137 HE1 HIS 22 HE1 HIS 22 -7.527 -2.099 8.870 138 H ILE 23 H ILE 23 -3.142 -6.455 6.591 139 HA ILE 23 HA ILE 23 -2.971 -4.651 4.320 140 HB ILE 23 HB ILE 23 -4.165 -7.411 4.146 141 1HG1 ILE 23 1HG1 ILE 23 -1.424 -7.755 3.683 142 2HG1 ILE 23 2HG1 ILE 23 -1.491 -6.822 5.169 143 1HG2 ILE 23 3HG2 ILE 23 -3.931 -5.869 2.152 144 2HG2 ILE 23 1HG2 ILE 23 -2.188 -5.893 2.386 145 3HG2 ILE 23 2HG2 ILE 23 -3.038 -7.372 1.952 146 1HD1 ILE 23 2HD1 ILE 23 -3.152 -8.477 6.073 147 2HD1 ILE 23 3HD1 ILE 23 -2.940 -9.432 4.609 148 3HD1 ILE 23 1HD1 ILE 23 -1.589 -9.207 5.716 149 H GLU 24 H GLU 24 -4.599 -3.259 4.140 150 HA GLU 24 HA GLU 24 -7.181 -3.475 5.185 151 1HB GLU 24 1HB GLU 24 -5.825 -1.836 3.170 152 2HB GLU 24 2HB GLU 24 -7.508 -2.111 2.734 153 1HG GLU 24 1HG GLU 24 -6.618 -1.179 5.486 154 2HG GLU 24 2HG GLU 24 -7.148 -0.086 4.212 155 H SER 25 H SER 25 -5.827 -5.063 2.462 156 HA SER 25 HA SER 25 -8.046 -5.648 0.890 157 1HB SER 25 1HB SER 25 -5.741 -6.416 0.331 158 2HB SER 25 2HB SER 25 -5.782 -7.545 1.701 159 HG SER 25 HG SER 25 -6.562 -8.750 0.075 160 H LEU 26 H LEU 26 -6.805 -8.085 3.127 161 HA LEU 26 HA LEU 26 -9.413 -9.231 3.404 162 1HB LEU 26 1HB LEU 26 -6.871 -9.868 4.937 163 2HB LEU 26 2HB LEU 26 -8.259 -10.929 4.756 164 HG LEU 26 HG LEU 26 -6.581 -9.921 2.425 165 1HD1 LEU 26 3HD1 LEU 26 -5.275 -11.385 3.939 166 2HD1 LEU 26 1HD1 LEU 26 -6.536 -12.610 3.824 167 3HD1 LEU 26 2HD1 LEU 26 -5.601 -12.172 2.398 168 1HD2 LEU 26 2HD2 LEU 26 -9.094 -11.402 2.656 169 2HD2 LEU 26 3HD2 LEU 26 -8.340 -10.702 1.228 170 3HD2 LEU 26 1HD2 LEU 26 -7.879 -12.311 1.773 171 H ASP 27 H ASP 27 -7.486 -7.021 5.198 172 HA ASP 27 HA ASP 27 -8.116 -5.655 7.009 173 1HB ASP 27 1HB ASP 27 -10.554 -6.399 6.105 174 2HB ASP 27 2HB ASP 27 -10.555 -7.305 7.619 175 H SER 28 H SER 28 -7.184 -8.751 7.066 176 HA SER 28 HA SER 28 -7.710 -9.406 9.828 177 1HB SER 28 1HB SER 28 -6.382 -11.367 9.405 178 2HB SER 28 2HB SER 28 -7.007 -10.990 7.788 179 HG SER 28 HG SER 28 -4.999 -9.430 8.007 180 OH TYR 29 OH TYR 29 -8.501 -4.497 10.967 181 H TYR 29 H TYR 29 -5.148 -10.218 10.731 182 HA TYR 29 HA TYR 29 -3.512 -7.759 10.653 183 1HB TYR 29 1HB TYR 29 -4.787 -8.848 13.210 184 2HB TYR 29 2HB TYR 29 -3.606 -7.534 13.158 185 HD1 TYR 29 HD2 TYR 29 -4.155 -5.619 11.489 186 HD2 TYR 29 HD1 TYR 29 -7.093 -8.254 13.040 187 HE1 TYR 29 HE2 TYR 29 -5.909 -4.141 10.703 188 HE2 TYR 29 HE1 TYR 29 -8.861 -6.800 12.192 189 HH TYR 29 HH TYR 29 -8.089 -3.809 10.439 190 H THR 30 H THR 30 -1.406 -8.028 11.164 191 HA THR 30 HA THR 30 -0.473 -10.514 12.440 192 HB THR 30 HB THR 30 -0.649 -11.101 9.969 193 HG1 THR 30 HG1 THR 30 1.978 -10.974 9.999 194 1HG2 THR 30 2HG2 THR 30 0.150 -8.464 9.540 195 2HG2 THR 30 3HG2 THR 30 1.667 -9.331 9.326 196 3HG2 THR 30 1HG2 THR 30 0.276 -9.730 8.325 197 H CYS 31 H CYS 31 2.287 -9.965 11.376 198 HA CYS 31 HA CYS 31 2.791 -7.246 12.296 199 1HB CYS 31 1HB CYS 31 3.053 -9.589 14.043 200 2HB CYS 31 2HB CYS 31 4.501 -8.625 13.986 201 H ASN 32 H ASN 32 4.467 -6.382 11.414 202 HA ASN 32 HA ASN 32 6.346 -8.082 9.898 203 1HB ASN 32 1HB ASN 32 5.335 -5.943 8.933 204 2HB ASN 32 2HB ASN 32 6.201 -5.034 10.169 205 1HD2 ASN 32 2HD2 ASN 32 8.397 -6.846 7.190 206 2HD2 ASN 32 1HD2 ASN 32 6.907 -7.522 7.641 207 H CYS 33 H CYS 33 7.539 -9.016 11.534 208 HA CYS 33 HA CYS 33 8.606 -7.701 13.794 209 1HB CYS 33 1HB CYS 33 10.020 -9.917 12.320 210 2HB CYS 33 2HB CYS 33 9.958 -9.634 14.047 211 H VAL 34 H VAL 34 11.437 -8.588 13.338 212 HA VAL 34 HA VAL 34 12.357 -6.456 11.488 213 HB VAL 34 HB VAL 34 13.446 -6.715 14.339 214 1HG1 VAL 34 2HG1 VAL 34 13.973 -4.963 11.977 215 2HG1 VAL 34 3HG1 VAL 34 14.001 -4.207 13.564 216 3HG1 VAL 34 1HG1 VAL 34 15.062 -5.552 13.211 217 1HG2 VAL 34 2HG2 VAL 34 11.040 -5.952 14.324 218 2HG2 VAL 34 3HG2 VAL 34 12.162 -4.740 14.931 219 3HG2 VAL 34 1HG2 VAL 34 11.518 -4.614 13.295 220 H ILE 35 H ILE 35 14.969 -6.475 11.695 221 HA ILE 35 HA ILE 35 15.732 -8.969 10.574 222 HB ILE 35 HB ILE 35 16.835 -7.040 9.711 223 1HG1 ILE 35 1HG1 ILE 35 18.957 -7.765 11.702 224 2HG1 ILE 35 2HG1 ILE 35 18.475 -8.921 10.464 225 1HG2 ILE 35 1HG2 ILE 35 17.101 -6.296 12.642 226 2HG2 ILE 35 2HG2 ILE 35 18.086 -5.491 11.436 227 3HG2 ILE 35 3HG2 ILE 35 16.336 -5.374 11.350 228 1HD1 ILE 35 1HD1 ILE 35 18.955 -6.208 9.413 229 2HD1 ILE 35 2HD1 ILE 35 20.379 -6.947 10.132 230 3HD1 ILE 35 3HD1 ILE 35 19.535 -7.759 8.819 231 H GLY 36 H GLY 36 14.821 -9.202 13.249 232 1HA GLY 36 1HA GLY 36 16.793 -11.091 14.217 233 2HA GLY 36 2HA GLY 36 16.749 -9.647 15.234 234 OH TYR 37 OH TYR 37 15.361 -5.544 18.904 235 H TYR 37 H TYR 37 13.972 -9.317 14.371 236 HA TYR 37 HA TYR 37 12.803 -10.985 16.485 237 1HB TYR 37 1HB TYR 37 11.681 -8.579 15.040 238 2HB TYR 37 2HB TYR 37 11.061 -9.285 16.516 239 HD1 TYR 37 HD2 TYR 37 14.390 -9.594 17.317 240 HD2 TYR 37 HD1 TYR 37 11.688 -6.441 16.446 241 HE1 TYR 37 HE2 TYR 37 15.714 -8.165 18.596 242 HE2 TYR 37 HE1 TYR 37 13.161 -4.890 17.604 243 HH TYR 37 HH TYR 37 15.794 -6.044 19.597 244 H SER 38 H SER 38 11.765 -12.740 15.998 245 HA SER 38 HA SER 38 9.948 -12.892 13.726 246 1HB SER 38 1HB SER 38 12.360 -14.773 13.661 247 2HB SER 38 2HB SER 38 11.172 -14.492 12.377 248 HG SER 38 HG SER 38 12.778 -13.159 11.824 249 H GLY 39 H GLY 39 10.365 -15.826 13.497 250 1HA GLY 39 1HA GLY 39 9.834 -17.826 14.666 251 2HA GLY 39 2HA GLY 39 9.846 -16.913 16.168 252 H ASP 40 H ASP 40 7.877 -17.419 17.048 253 HA ASP 40 HA ASP 40 5.472 -17.893 15.641 254 1HB ASP 40 1HB ASP 40 5.869 -16.526 18.358 255 2HB ASP 40 2HB ASP 40 4.349 -17.225 17.799 256 NH1 ARG 41 NH2 ARG 41 3.259 -12.939 20.575 257 NH2 ARG 41 NH1 ARG 41 1.289 -11.778 20.621 258 H ARG 41 H ARG 41 5.132 -15.109 17.656 259 HA ARG 41 HA ARG 41 4.069 -13.634 15.398 260 1HB ARG 41 1HB ARG 41 2.935 -13.265 17.484 261 2HB ARG 41 2HB ARG 41 4.442 -13.162 18.399 262 1HG ARG 41 1HG ARG 41 4.883 -10.997 17.648 263 2HG ARG 41 2HG ARG 41 3.789 -11.137 16.273 264 1HD ARG 41 1HD ARG 41 2.678 -9.779 17.882 265 2HD ARG 41 2HD ARG 41 1.891 -11.330 17.930 266 HE ARG 41 HE ARG 41 3.676 -10.278 20.029 267 1HH1 ARG 41 1HH2 ARG 41 4.214 -12.990 20.282 268 2HH1 ARG 41 2HH2 ARG 41 2.856 -13.687 21.099 269 1HH2 ARG 41 1HH1 ARG 41 0.770 -10.963 20.365 270 2HH2 ARG 41 2HH1 ARG 41 0.848 -12.507 21.147 271 H CYS 42 H CYS 42 6.527 -12.828 17.848 272 HA CYS 42 HA CYS 42 8.654 -12.441 15.997 273 1HB CYS 42 1HB CYS 42 7.528 -9.864 17.091 274 2HB CYS 42 2HB CYS 42 8.937 -10.047 16.087 275 H GLN 43 H GLN 43 7.931 -13.379 18.766 276 HA GLN 43 HA GLN 43 9.461 -11.703 20.576 277 1HB GLN 43 1HB GLN 43 9.416 -14.389 21.546 278 2HB GLN 43 2HB GLN 43 8.409 -13.059 22.070 279 1HG GLN 43 1HG GLN 43 6.777 -13.575 20.283 280 2HG GLN 43 2HG GLN 43 7.819 -14.867 19.694 281 1HE2 GLN 43 2HE2 GLN 43 6.087 -17.100 21.776 282 2HE2 GLN 43 1HE2 GLN 43 6.615 -16.715 20.210 283 H THR 44 H THR 44 10.360 -14.135 18.291 284 HA THR 44 HA THR 44 12.717 -15.057 19.629 285 HB THR 44 HB THR 44 12.179 -14.975 16.615 286 HG1 THR 44 HG1 THR 44 11.369 -17.110 17.195 287 1HG2 THR 44 2HG2 THR 44 14.367 -15.981 18.194 288 2HG2 THR 44 3HG2 THR 44 13.395 -17.377 17.738 289 3HG2 THR 44 1HG2 THR 44 14.061 -16.323 16.494 290 NH1 ARG 45 NH1 ARG 45 15.928 -6.958 23.223 291 NH2 ARG 45 NH2 ARG 45 16.212 -8.731 24.638 292 H ARG 45 H ARG 45 14.017 -13.469 20.332 293 HA ARG 45 HA ARG 45 15.018 -11.458 18.394 294 1HB ARG 45 1HB ARG 45 14.112 -10.551 20.426 295 2HB ARG 45 2HB ARG 45 14.969 -11.720 21.425 296 1HG ARG 45 1HG ARG 45 16.950 -10.616 21.253 297 2HG ARG 45 2HG ARG 45 16.603 -10.062 19.626 298 1HD ARG 45 1HD ARG 45 16.526 -8.118 21.099 299 2HD ARG 45 2HD ARG 45 14.872 -8.483 20.609 300 HE ARG 45 HE ARG 45 14.730 -9.751 22.847 301 1HH1 ARG 45 1HH1 ARG 45 15.629 -6.612 22.333 302 2HH1 ARG 45 2HH1 ARG 45 16.302 -6.328 23.903 303 1HH2 ARG 45 1HH2 ARG 45 16.123 -9.712 24.806 304 2HH2 ARG 45 2HH2 ARG 45 16.592 -8.134 25.344 305 H ASP 46 H ASP 46 16.355 -12.966 17.327 306 HA ASP 46 HA ASP 46 18.367 -14.557 18.643 307 1HB ASP 46 1HB ASP 46 17.819 -13.631 15.830 308 2HB ASP 46 2HB ASP 46 19.382 -14.363 16.183 309 H LEU 47 H LEU 47 20.596 -14.329 18.703 310 HA LEU 47 HA LEU 47 21.627 -11.827 19.550 311 1HB LEU 47 1HB LEU 47 23.904 -13.018 19.083 312 2HB LEU 47 2HB LEU 47 22.824 -13.778 20.246 313 HG LEU 47 HG LEU 47 22.272 -14.620 17.488 314 1HD1 LEU 47 2HD1 LEU 47 25.004 -15.102 18.703 315 2HD1 LEU 47 3HD1 LEU 47 24.332 -16.099 17.418 316 3HD1 LEU 47 1HD1 LEU 47 24.647 -14.391 17.133 317 1HD2 LEU 47 2HD2 LEU 47 21.401 -15.695 19.569 318 2HD2 LEU 47 3HD2 LEU 47 22.303 -16.830 18.568 319 3HD2 LEU 47 1HD2 LEU 47 23.049 -16.133 20.003 320 NH1 ARG 48 NH2 ARG 48 21.293 -13.993 13.878 321 NH2 ARG 48 NH1 ARG 48 22.088 -13.464 11.800 322 H ARG 48 H ARG 48 21.078 -10.273 17.874 323 HA ARG 48 HA ARG 48 23.190 -9.843 16.072 324 1HB ARG 48 1HB ARG 48 21.506 -10.069 14.036 325 2HB ARG 48 2HB ARG 48 22.380 -11.465 14.636 326 1HG ARG 48 1HG ARG 48 20.499 -12.286 15.825 327 2HG ARG 48 2HG ARG 48 19.675 -10.735 15.767 328 1HD ARG 48 1HD ARG 48 19.102 -12.763 14.066 329 2HD ARG 48 2HD ARG 48 18.987 -11.078 13.581 330 HE ARG 48 HE ARG 48 20.900 -11.357 12.225 331 1HH1 ARG 48 1HH2 ARG 48 20.735 -13.748 14.668 332 2HH1 ARG 48 2HH2 ARG 48 21.795 -14.858 13.868 333 1HH2 ARG 48 1HH1 ARG 48 22.123 -12.822 11.034 334 2HH2 ARG 48 2HH1 ARG 48 22.604 -14.319 11.758 335 CH2 TRP 49 CH2 TRP 49 16.768 -2.361 14.712 336 H TRP 49 H TRP 49 20.077 -9.208 14.983 337 HA TRP 49 HA TRP 49 19.926 -6.735 14.210 338 1HB TRP 49 1HB TRP 49 18.014 -8.173 14.434 339 2HB TRP 49 2HB TRP 49 18.013 -8.104 16.185 340 HD1 TRP 49 HD1 TRP 49 15.440 -7.700 15.575 341 HE1 TRP 49 HE1 TRP 49 14.333 -5.484 15.846 342 HE3 TRP 49 HE3 TRP 49 19.239 -4.607 14.308 343 HZ2 TRP 49 HZ2 TRP 49 14.799 -2.826 15.401 344 HZ3 TRP 49 HZ3 TRP 49 18.775 -2.229 14.027 345 HH2 TRP 49 HH2 TRP 49 16.575 -1.307 14.589 346 CH2 TRP 50 CH2 TRP 50 20.964 -9.995 21.152 347 H TRP 50 H TRP 50 18.166 -6.147 16.802 348 HA TRP 50 HA TRP 50 18.174 -4.179 18.164 349 1HB TRP 50 1HB TRP 50 20.682 -5.196 19.429 350 2HB TRP 50 2HB TRP 50 19.145 -4.784 20.177 351 HD1 TRP 50 HD1 TRP 50 17.395 -6.790 18.195 352 HE1 TRP 50 HE1 TRP 50 17.708 -9.268 18.552 353 HE3 TRP 50 HE3 TRP 50 21.469 -6.673 21.033 354 HZ2 TRP 50 HZ2 TRP 50 19.463 -11.053 20.048 355 HZ3 TRP 50 HZ3 TRP 50 22.392 -8.704 22.060 356 HH2 TRP 50 HH2 TRP 50 21.354 -10.882 21.628 357 H GLU 51 H GLU 51 18.658 -2.255 17.456 358 HA GLU 51 HA GLU 51 20.630 -0.599 18.024 359 1HB GLU 51 1HB GLU 51 22.198 -0.528 16.108 360 2HB GLU 51 2HB GLU 51 22.313 -2.059 16.925 361 1HG GLU 51 1HG GLU 51 20.655 -2.965 15.197 362 2HG GLU 51 2HG GLU 51 20.906 -1.453 14.324 363 H LEU 52 H LEU 52 20.769 1.350 16.604 364 HA LEU 52 HA LEU 52 19.621 3.013 15.437 365 1HB LEU 52 1HB LEU 52 19.303 0.515 13.770 366 2HB LEU 52 2HB LEU 52 18.346 1.922 13.330 367 HG LEU 52 HG LEU 52 20.370 3.293 13.170 368 1HD1 LEU 52 3HD1 LEU 52 21.668 0.772 14.223 369 2HD1 LEU 52 1HD1 LEU 52 22.599 1.983 13.348 370 3HD1 LEU 52 2HD1 LEU 52 21.799 2.409 14.856 371 1HD2 LEU 52 3HD2 LEU 52 19.655 1.885 11.216 372 2HD2 LEU 52 1HD2 LEU 52 21.385 2.210 11.234 373 3HD2 LEU 52 2HD2 LEU 52 20.780 0.641 11.751 374 NH1 ARG 53 NH1 ARG 53 12.021 4.223 13.903 375 NH2 ARG 53 NH2 ARG 53 11.899 5.779 12.237 376 H ARG 53 H ARG 53 17.683 4.061 15.498 377 HA ARG 53 HA ARG 53 15.511 4.460 16.305 378 1HB ARG 53 1HB ARG 53 15.039 1.674 15.151 379 2HB ARG 53 2HB ARG 53 13.834 2.939 15.367 380 1HG ARG 53 1HG ARG 53 15.349 4.386 13.849 381 2HG ARG 53 2HG ARG 53 16.176 2.888 13.446 382 1HD ARG 53 1HD ARG 53 14.581 2.450 11.916 383 2HD ARG 53 2HD ARG 53 13.377 2.378 13.196 384 HE ARG 53 HE ARG 53 13.984 4.737 11.504 385 1HH1 ARG 53 1HH1 ARG 53 12.488 3.442 14.312 386 2HH1 ARG 53 2HH1 ARG 53 11.201 4.599 14.335 387 1HH2 ARG 53 1HH2 ARG 53 12.277 6.166 11.394 388 2HH2 ARG 53 ARG 53 11.078 6.175 12.643 Start of MODEL 3 Raw file had 388 H/Q atoms Start of MODEL 3 1 1H ASN 1 3H ASN 1 -7.489 3.935 1.678 2 2H ASN 1 1H ASN 1 -6.193 4.918 1.185 3 3H ASN 1 2H ASN 1 -7.339 4.391 0.048 4 HA ASN 1 HA ASN 1 -6.638 2.157 0.216 5 1HB ASN 1 1HB ASN 1 -4.176 3.966 0.169 6 2HB ASN 1 2HB ASN 1 -4.312 2.373 -0.576 7 1HD2 ASN 1 2HD2 ASN 1 -5.763 3.622 -3.508 8 2HD2 ASN 1 1HD2 ASN 1 -5.033 2.320 -2.699 9 H SER 2 H SER 2 -3.949 1.490 0.953 10 HA SER 2 HA SER 2 -4.187 0.202 3.302 11 1HB SER 2 1HB SER 2 -1.539 1.375 3.333 12 2HB SER 2 2HB SER 2 -1.999 -0.247 2.775 13 HG SER 2 HG SER 2 -1.775 0.484 0.826 14 OH TYR 3 OH TYR 3 -8.858 6.269 6.268 15 H TYR 3 H TYR 3 -3.924 0.569 5.459 16 HA TYR 3 HA TYR 3 -3.828 3.346 6.352 17 1HB TYR 3 1HB TYR 3 -5.632 1.108 6.975 18 2HB TYR 3 2HB TYR 3 -5.049 1.979 8.391 19 HD1 TYR 3 HD1 TYR 3 -5.229 4.541 8.358 20 HD2 TYR 3 HD2 TYR 3 -7.328 2.049 5.629 21 HE1 TYR 3 HE1 TYR 3 -6.816 6.363 7.923 22 HE2 TYR 3 HE2 TYR 3 -8.911 3.873 5.179 23 HH TYR 3 HH TYR 3 -9.057 6.266 5.332 24 HA PRO 4 HA PRO 4 -0.126 1.347 8.189 25 1HB PRO 4 1HB PRO 4 0.529 4.051 9.160 26 2HB PRO 4 2HB PRO 4 1.452 3.020 8.063 27 1HG PRO 4 1HG PRO 4 0.012 5.327 7.319 28 2HG PRO 4 2HG PRO 4 0.618 4.093 6.212 29 1HD PRO 4 2HD PRO 4 -2.148 4.617 7.064 30 2HD PRO 4 1HD PRO 4 -1.580 3.598 5.721 31 H GLY 5 H GLY 5 -0.670 0.283 9.971 32 1HA GLY 5 1HA GLY 5 -0.522 0.772 12.534 33 2HA GLY 5 2HA GLY 5 -1.943 1.770 12.227 34 H CYS 6 H CYS 6 -2.857 0.166 13.864 35 HA CYS 6 HA CYS 6 -4.345 -1.811 12.393 36 1HB CYS 6 1HB CYS 6 -3.520 -3.713 13.848 37 2HB CYS 6 2HB CYS 6 -2.315 -3.059 12.770 38 HA PRO 7 HA PRO 7 -7.549 -0.980 15.331 39 1HB PRO 7 1HB PRO 7 -7.631 -3.923 15.913 40 2HB PRO 7 2HB PRO 7 -8.929 -2.868 15.333 41 1HG PRO 7 1HG PRO 7 -7.414 -4.680 13.755 42 2HG PRO 7 2HG PRO 7 -8.463 -3.399 13.136 43 1HD PRO 7 2HD PRO 7 -5.600 -3.539 13.016 44 2HD PRO 7 1HD PRO 7 -6.637 -2.221 12.421 45 H SER 8 H SER 8 -7.768 -0.683 17.575 46 HA SER 8 HA SER 8 -5.480 -0.708 19.199 47 1HB SER 8 1HB SER 8 -7.059 -0.586 21.155 48 2HB SER 8 2HB SER 8 -7.621 0.468 19.834 49 HG SER 8 HG SER 8 -9.229 -0.850 19.468 50 H SER 9 H SER 9 -7.688 -3.295 18.499 51 HA SER 9 HA SER 9 -7.251 -5.079 20.586 52 1HB SER 9 1HB SER 9 -7.617 -6.870 18.882 53 2HB SER 9 2HB SER 9 -8.657 -5.488 18.485 54 HG SER 9 HG SER 9 -6.908 -6.511 16.912 55 OH TYR 10 OH TYR 10 -4.737 -8.704 14.406 56 H TYR 10 H TYR 10 -4.981 -3.756 18.477 57 HA TYR 10 HA TYR 10 -3.018 -5.867 18.947 58 1HB TYR 10 1HB TYR 10 -3.207 -3.444 17.157 59 2HB TYR 10 2HB TYR 10 -1.661 -4.281 17.377 60 HD1 TYR 10 HD2 TYR 10 -1.692 -6.796 17.129 61 HD2 TYR 10 HD1 TYR 10 -4.818 -4.364 15.673 62 HE1 TYR 10 HE2 TYR 10 -2.558 -8.715 15.898 63 HE2 TYR 10 HE1 TYR 10 -5.709 -6.234 14.401 64 HH TYR 10 HH TYR 10 -4.015 -9.190 14.002 65 H ASP 11 H ASP 11 -4.014 -4.007 20.980 66 HA ASP 11 HA ASP 11 -1.892 -2.170 21.582 67 1HB ASP 11 1HB ASP 11 -4.324 -2.119 22.456 68 2HB ASP 11 2HB ASP 11 -3.854 -3.426 23.547 69 H GLY 12 H GLY 12 -1.406 -5.232 21.222 70 1HA GLY 12 1HA GLY 12 0.913 -5.414 22.773 71 2HA GLY 12 2HA GLY 12 -0.356 -6.050 23.796 72 OH TYR 13 OH TYR 13 0.639 -12.302 14.951 73 H TYR 13 H TYR 13 0.409 -6.516 20.287 74 HA TYR 13 HA TYR 13 0.726 -9.425 20.907 75 1HB TYR 13 1HB TYR 13 -1.438 -9.506 19.976 76 2HB TYR 13 2HB TYR 13 -1.174 -8.091 18.963 77 HD1 TYR 13 HD1 TYR 13 -0.442 -11.715 19.296 78 HD2 TYR 13 HD2 TYR 13 -0.028 -8.258 16.885 79 HE1 TYR 13 HE1 TYR 13 0.184 -13.118 17.405 80 HE2 TYR 13 HE2 TYR 13 0.378 -9.694 14.917 81 HH TYR 13 HH TYR 13 -0.140 -12.378 14.393 82 H CYS 14 H CYS 14 2.046 -6.710 19.684 83 HA CYS 14 HA CYS 14 3.710 -8.200 17.707 84 1HB CYS 14 1HB CYS 14 2.969 -5.295 18.093 85 2HB CYS 14 2HB CYS 14 4.481 -5.670 17.320 86 H LEU 15 H LEU 15 5.400 -9.043 18.755 87 HA LEU 15 HA LEU 15 6.641 -7.638 21.014 88 1HB LEU 15 1HB LEU 15 6.602 -10.336 19.811 89 2HB LEU 15 2HB LEU 15 8.170 -9.854 20.428 90 HG LEU 15 HG LEU 15 6.912 -11.039 22.118 91 1HD1 LEU 15 3HD1 LEU 15 8.320 -8.793 22.506 92 2HD1 LEU 15 1HD1 LEU 15 6.795 -8.288 23.220 93 3HD1 LEU 15 2HD1 LEU 15 7.623 -9.719 23.825 94 1HD2 LEU 15 3HD2 LEU 15 4.750 -9.240 21.274 95 2HD2 LEU 15 1HD2 LEU 15 4.680 -10.851 21.963 96 3HD2 LEU 15 2HD2 LEU 15 4.871 -9.459 23.018 97 H ASN 16 H ASN 16 8.925 -7.606 21.210 98 HA ASN 16 HA ASN 16 10.711 -6.160 20.394 99 1HB ASN 16 1HB ASN 16 11.263 -8.805 19.109 100 2HB ASN 16 2HB ASN 16 12.339 -7.800 20.082 101 1HD2 ASN 16 2HD2 ASN 16 10.718 -10.779 21.927 102 2HD2 ASN 16 1HD2 ASN 16 11.297 -10.682 20.327 103 H GLY 17 H GLY 17 10.461 -4.651 18.881 104 1HA GLY 17 1HA GLY 17 10.309 -3.664 16.748 105 2HA GLY 17 2HA GLY 17 11.439 -4.933 16.285 106 H GLY 18 H GLY 18 8.056 -5.158 17.338 107 1HA GLY 18 1HA GLY 18 7.500 -6.768 14.906 108 2HA GLY 18 2HA GLY 18 6.488 -6.706 16.345 109 H VAL 19 H VAL 19 7.019 -5.432 13.234 110 HA VAL 19 HA VAL 19 5.490 -3.007 13.632 111 HB VAL 19 HB VAL 19 5.854 -4.285 10.932 112 1HG1 VAL 19 1HG1 VAL 19 4.861 -1.913 11.600 113 2HG1 VAL 19 2HG1 VAL 19 6.565 -1.463 11.652 114 3HG1 VAL 19 3HG1 VAL 19 5.861 -2.091 10.164 115 1HG2 VAL 19 2HG2 VAL 19 8.060 -3.144 12.673 116 2HG2 VAL 19 3HG2 VAL 19 8.011 -4.735 11.918 117 3HG2 VAL 19 1HG2 VAL 19 8.206 -3.294 10.925 118 H CYS 20 H CYS 20 3.365 -3.103 13.991 119 HA CYS 20 HA CYS 20 1.810 -5.428 13.193 120 1HB CYS 20 1HB CYS 20 0.209 -4.602 14.609 121 2HB CYS 20 2HB CYS 20 1.572 -3.716 15.231 122 H MET 21 H MET 21 1.396 -5.700 11.119 123 HA MET 21 HA MET 21 0.875 -3.404 9.353 124 1HB MET 21 1HB MET 21 1.727 -6.174 9.081 125 2HB MET 21 2HB MET 21 0.375 -5.862 8.001 126 1HG MET 21 1HG MET 21 2.807 -4.086 8.214 127 2HG MET 21 2HG MET 21 2.680 -5.393 7.069 128 1HE MET 21 3HE MET 21 3.582 -2.611 6.340 129 2HE MET 21 1HE MET 21 2.371 -1.429 5.840 130 3HE MET 21 2HE MET 21 2.582 -1.803 7.551 131 H HIS 22 H HIS 22 -0.945 -3.355 7.912 132 HA HIS 22 HA HIS 22 -3.377 -4.858 8.658 133 1HB HIS 22 1HB HIS 22 -3.536 -3.025 10.248 134 2HB HIS 22 2HB HIS 22 -3.126 -1.840 9.001 135 HD1 HIS 22 HD1 HIS 22 -5.567 -0.893 9.526 136 HD2 HIS 22 HD2 HIS 22 -5.586 -4.584 7.812 137 HE1 HIS 22 HE1 HIS 22 -7.880 -1.313 8.871 138 H ILE 23 H ILE 23 -3.605 -5.543 6.535 139 HA ILE 23 HA ILE 23 -3.470 -3.600 4.372 140 HB ILE 23 HB ILE 23 -4.532 -6.421 4.130 141 1HG1 ILE 23 1HG1 ILE 23 -1.631 -5.563 4.374 142 2HG1 ILE 23 2HG1 ILE 23 -2.494 -6.659 5.445 143 1HG2 ILE 23 1HG2 ILE 23 -4.173 -4.439 2.287 144 2HG2 ILE 23 2HG2 ILE 23 -2.577 -5.184 2.225 145 3HG2 ILE 23 3HG2 ILE 23 -4.012 -6.144 1.876 146 1HD1 ILE 23 3HD1 ILE 23 -2.934 -7.895 3.064 147 2HD1 ILE 23 1HD1 ILE 23 -1.370 -7.151 2.735 148 3HD1 ILE 23 2HD1 ILE 23 -1.551 -8.260 4.091 149 H GLU 24 H GLU 24 -5.150 -2.327 3.964 150 HA GLU 24 HA GLU 24 -7.724 -2.599 5.097 151 1HB GLU 24 1HB GLU 24 -6.400 -0.710 3.532 152 2HB GLU 24 2HB GLU 24 -7.687 -1.256 2.462 153 1HG GLU 24 1HG GLU 24 -8.106 -0.334 5.331 154 2HG GLU 24 2HG GLU 24 -8.394 0.661 3.906 155 H SER 25 H SER 25 -6.640 -3.490 1.813 156 HA SER 25 HA SER 25 -9.032 -4.320 0.713 157 1HB SER 25 1HB SER 25 -6.854 -6.334 0.381 158 2HB SER 25 2HB SER 25 -7.651 -5.337 -0.852 159 HG SER 25 HG SER 25 -6.089 -3.954 -0.652 160 H LEU 26 H LEU 26 -6.890 -6.626 2.394 161 HA LEU 26 HA LEU 26 -9.014 -8.447 2.803 162 1HB LEU 26 1HB LEU 26 -6.171 -8.412 2.993 163 2HB LEU 26 2HB LEU 26 -6.749 -8.827 4.599 164 HG LEU 26 HG LEU 26 -8.296 -10.508 3.346 165 1HD1 LEU 26 2HD1 LEU 26 -7.592 -9.458 1.096 166 2HD1 LEU 26 3HD1 LEU 26 -6.075 -10.324 1.309 167 3HD1 LEU 26 1HD1 LEU 26 -7.586 -11.219 1.187 168 1HD2 LEU 26 1HD2 LEU 26 -5.325 -10.756 3.768 169 2HD2 LEU 26 2HD2 LEU 26 -6.627 -11.421 4.746 170 3HD2 LEU 26 3HD2 LEU 26 -6.263 -12.123 3.174 171 H ASP 27 H ASP 27 -7.940 -5.678 4.440 172 HA ASP 27 HA ASP 27 -8.481 -4.728 6.528 173 1HB ASP 27 1HB ASP 27 -10.821 -5.770 5.350 174 2HB ASP 27 2HB ASP 27 -10.855 -6.410 6.992 175 H SER 28 H SER 28 -7.409 -7.720 6.205 176 HA SER 28 HA SER 28 -8.011 -8.857 8.787 177 1HB SER 28 1HB SER 28 -7.184 -10.035 6.547 178 2HB SER 28 2HB SER 28 -5.570 -9.620 7.155 179 HG SER 28 HG SER 28 -7.594 -11.176 8.370 180 OH TYR 29 OH TYR 29 -8.921 -4.177 10.809 181 H TYR 29 H TYR 29 -5.368 -9.712 9.500 182 HA TYR 29 HA TYR 29 -3.873 -7.222 9.973 183 1HB TYR 29 1HB TYR 29 -5.192 -8.841 12.184 184 2HB TYR 29 2HB TYR 29 -4.027 -7.544 12.476 185 HD1 TYR 29 HD2 TYR 29 -4.568 -5.272 11.303 186 HD2 TYR 29 HD1 TYR 29 -7.466 -8.286 12.009 187 HE1 TYR 29 HE2 TYR 29 -6.326 -3.713 10.728 188 HE2 TYR 29 HE1 TYR 29 -9.253 -6.700 11.478 189 HH TYR 29 HH TYR 29 -9.764 -4.622 10.928 190 H THR 30 H THR 30 -1.766 -7.516 10.669 191 HA THR 30 HA THR 30 -0.746 -10.069 11.503 192 HB THR 30 HB THR 30 -1.061 -10.648 9.086 193 HG1 THR 30 HG1 THR 30 1.530 -9.977 10.024 194 1HG2 THR 30 2HG2 THR 30 -0.554 -7.940 8.598 195 2HG2 THR 30 3HG2 THR 30 1.013 -8.660 8.240 196 3HG2 THR 30 1HG2 THR 30 -0.418 -9.189 7.362 197 H CYS 31 H CYS 31 1.357 -9.930 12.156 198 HA CYS 31 HA CYS 31 2.595 -7.221 11.975 199 1HB CYS 31 1HB CYS 31 1.766 -8.087 14.215 200 2HB CYS 31 2HB CYS 31 2.999 -9.313 14.135 201 H ASN 32 H ASN 32 4.753 -7.039 11.524 202 HA ASN 32 HA ASN 32 6.087 -9.563 10.609 203 1HB ASN 32 1HB ASN 32 5.434 -7.618 8.955 204 2HB ASN 32 2HB ASN 32 6.809 -6.776 9.664 205 1HD2 ASN 32 2HD2 ASN 32 7.532 -10.236 7.553 206 2HD2 ASN 32 1HD2 ASN 32 6.049 -10.047 8.352 207 H CYS 33 H CYS 33 7.784 -10.165 11.791 208 HA CYS 33 HA CYS 33 8.982 -8.348 13.713 209 1HB CYS 33 1HB CYS 33 10.226 -10.950 12.799 210 2HB CYS 33 2HB CYS 33 10.288 -10.222 14.391 211 H VAL 34 H VAL 34 11.790 -9.513 13.067 212 HA VAL 34 HA VAL 34 12.401 -8.352 10.493 213 HB VAL 34 HB VAL 34 13.914 -6.652 12.276 214 1HG1 VAL 34 1HG1 VAL 34 13.484 -6.317 9.867 215 2HG1 VAL 34 2HG1 VAL 34 11.781 -6.042 10.221 216 3HG1 VAL 34 3HG1 VAL 34 12.997 -4.917 10.817 217 1HG2 VAL 34 2HG2 VAL 34 11.698 -6.974 13.682 218 2HG2 VAL 34 3HG2 VAL 34 12.323 -5.362 13.400 219 3HG2 VAL 34 1HG2 VAL 34 10.991 -5.969 12.429 220 H ILE 35 H ILE 35 14.914 -7.479 10.841 221 HA ILE 35 HA ILE 35 16.440 -9.872 10.784 222 HB ILE 35 HB ILE 35 16.916 -7.908 9.408 223 1HG1 ILE 35 1HG1 ILE 35 19.240 -7.591 11.144 224 2HG1 ILE 35 2HG1 ILE 35 18.835 -9.267 10.816 225 1HG2 ILE 35 1HG2 ILE 35 17.194 -6.521 12.128 226 2HG2 ILE 35 2HG2 ILE 35 17.805 -5.802 10.643 227 3HG2 ILE 35 3HG2 ILE 35 16.083 -6.105 10.830 228 1HD1 ILE 35 1HD1 ILE 35 19.120 -7.134 8.675 229 2HD1 ILE 35 2HD1 ILE 35 20.391 -8.274 9.106 230 3HD1 ILE 35 3HD1 ILE 35 18.882 -8.859 8.414 231 H GLY 36 H GLY 36 15.437 -10.070 13.207 232 1HA GLY 36 1HA GLY 36 17.224 -10.867 15.025 233 2HA GLY 36 2HA GLY 36 17.371 -9.134 15.286 234 OH TYR 37 OH TYR 37 14.720 -4.636 17.822 235 H TYR 37 H TYR 37 14.530 -10.837 14.271 236 HA TYR 37 HA TYR 37 13.300 -10.847 16.912 237 1HB TYR 37 1HB TYR 37 12.274 -9.161 14.648 238 2HB TYR 37 2HB TYR 37 11.476 -9.372 16.201 239 HD1 TYR 37 HD2 TYR 37 13.242 -8.840 18.318 240 HD2 TYR 37 HD1 TYR 37 13.775 -7.365 14.379 241 HE1 TYR 37 HE2 TYR 37 14.091 -6.788 19.162 242 HE2 TYR 37 HE1 TYR 37 14.436 -5.183 15.239 243 HH TYR 37 HH TYR 37 15.170 -4.153 17.131 244 H SER 38 H SER 38 12.476 -12.797 17.023 245 HA SER 38 HA SER 38 10.583 -13.673 14.938 246 1HB SER 38 1HB SER 38 11.761 -15.857 14.607 247 2HB SER 38 2HB SER 38 12.860 -14.527 14.197 248 HG SER 38 HG SER 38 13.993 -15.687 15.649 249 H GLY 39 H GLY 39 10.414 -16.370 15.745 250 1HA GLY 39 1HA GLY 39 9.887 -17.739 17.691 251 2HA GLY 39 2HA GLY 39 9.773 -16.269 18.659 252 H ASP 40 H ASP 40 7.619 -16.970 19.388 253 HA ASP 40 HA ASP 40 5.453 -17.665 17.729 254 1HB ASP 40 1HB ASP 40 5.441 -15.797 20.161 255 2HB ASP 40 2HB ASP 40 4.009 -16.581 19.494 256 NH1 ARG 41 NH1 ARG 41 0.649 -11.844 22.634 257 NH2 ARG 41 NH2 ARG 41 2.157 -10.135 22.773 258 H ARG 41 H ARG 41 4.916 -14.490 19.064 259 HA ARG 41 HA ARG 41 4.188 -13.552 16.408 260 1HB ARG 41 1HB ARG 41 4.830 -11.459 18.456 261 2HB ARG 41 2HB ARG 41 3.364 -11.652 17.497 262 1HG ARG 41 1HG ARG 41 2.544 -13.393 19.011 263 2HG ARG 41 2HG ARG 41 4.033 -13.299 19.962 264 1HD ARG 41 1HD ARG 41 3.375 -10.706 20.055 265 2HD ARG 41 2HD ARG 41 1.778 -11.371 19.767 266 HE ARG 41 HE ARG 41 3.142 -12.708 21.927 267 1HH1 ARG 41 1HH1 ARG 41 0.405 -12.744 22.273 268 2HH1 ARG 41 2HH1 ARG 41 0.009 -11.351 23.223 269 1HH2 ARG 41 1HH2 ARG 41 3.046 -9.753 22.516 270 2HH2 ARG 41 2HH2 ARG 41 1.543 -9.615 23.367 271 H CYS 42 H CYS 42 6.601 -12.541 18.758 272 HA CYS 42 HA CYS 42 8.867 -12.702 17.052 273 1HB CYS 42 1HB CYS 42 8.021 -9.880 17.709 274 2HB CYS 42 2HB CYS 42 9.395 -10.367 16.737 275 H GLN 43 H GLN 43 7.902 -13.297 19.721 276 HA GLN 43 HA GLN 43 9.110 -11.551 21.658 277 1HB GLN 43 1HB GLN 43 8.705 -13.371 23.239 278 2HB GLN 43 2HB GLN 43 7.331 -13.273 22.153 279 1HG GLN 43 1HG GLN 43 8.190 -15.153 20.824 280 2HG GLN 43 2HG GLN 43 9.623 -15.254 21.843 281 1HE2 GLN 43 2HE2 GLN 43 6.038 -16.485 23.420 282 2HE2 GLN 43 1HE2 GLN 43 6.034 -15.351 22.157 283 H THR 44 H THR 44 11.049 -12.501 19.491 284 HA THR 44 HA THR 44 13.082 -13.352 21.435 285 HB THR 44 HB THR 44 13.422 -14.669 18.808 286 HG1 THR 44 HG1 THR 44 11.551 -15.744 18.885 287 1HG2 THR 44 3HG2 THR 44 12.972 -15.697 21.656 288 2HG2 THR 44 1HG2 THR 44 13.584 -16.657 20.315 289 3HG2 THR 44 2HG2 THR 44 14.561 -15.356 20.985 290 NH1 ARG 45 NH2 ARG 45 14.113 -7.588 23.771 291 NH2 ARG 45 NH1 ARG 45 15.304 -5.752 24.435 292 H ARG 45 H ARG 45 14.196 -11.502 21.460 293 HA ARG 45 HA ARG 45 15.093 -10.154 19.045 294 1HB ARG 45 1HB ARG 45 14.475 -9.250 21.403 295 2HB ARG 45 2HB ARG 45 16.046 -9.834 21.923 296 1HG ARG 45 1HG ARG 45 17.189 -8.237 20.723 297 2HG ARG 45 2HG ARG 45 15.958 -8.121 19.483 298 1HD ARG 45 1HD ARG 45 15.823 -6.087 20.769 299 2HD ARG 45 2HD ARG 45 14.438 -7.066 21.246 300 HE ARG 45 HE ARG 45 16.932 -7.135 22.886 301 1HH1 ARG 45 1HH2 ARG 45 14.009 -8.361 23.145 302 2HH1 ARG 45 2HH2 ARG 45 13.445 -7.442 24.499 303 1HH2 ARG 45 1HH1 ARG 45 16.093 -5.152 24.307 304 2HH2 ARG 45 2HH1 ARG 45 14.653 -5.574 25.172 305 H ASP 46 H ASP 46 16.594 -11.562 17.946 306 HA ASP 46 HA ASP 46 18.690 -12.896 19.603 307 1HB ASP 46 1HB ASP 46 17.861 -13.287 16.702 308 2HB ASP 46 2HB ASP 46 19.123 -14.213 17.512 309 H LEU 47 H LEU 47 20.850 -13.089 18.811 310 HA LEU 47 HA LEU 47 22.198 -10.645 18.423 311 1HB LEU 47 1HB LEU 47 22.935 -13.541 18.050 312 2HB LEU 47 2HB LEU 47 24.095 -12.277 17.656 313 HG LEU 47 HG LEU 47 22.676 -12.113 20.289 314 1HD1 LEU 47 1HD1 LEU 47 24.728 -14.165 19.497 315 2HD1 LEU 47 2HD1 LEU 47 24.760 -13.499 21.130 316 3HD1 LEU 47 3HD1 LEU 47 23.327 -14.348 20.547 317 1HD2 LEU 47 1HD2 LEU 47 24.364 -10.421 19.286 318 2HD2 LEU 47 2HD2 LEU 47 24.656 -10.952 20.940 319 3HD2 LEU 47 3HD2 LEU 47 25.590 -11.641 19.617 320 NH1 ARG 48 NH1 ARG 48 18.723 -14.857 13.237 321 NH2 ARG 48 NH2 ARG 48 17.024 -14.797 14.765 322 H ARG 48 H ARG 48 21.664 -9.402 16.689 323 HA ARG 48 HA ARG 48 22.935 -9.676 14.316 324 1HB ARG 48 1HB ARG 48 20.937 -10.196 12.802 325 2HB ARG 48 2HB ARG 48 21.711 -11.526 13.611 326 1HG ARG 48 1HG ARG 48 19.659 -10.476 15.367 327 2HG ARG 48 2HG ARG 48 18.987 -10.676 13.749 328 1HD ARG 48 1HD ARG 48 20.310 -13.074 14.005 329 2HD ARG 48 2HD ARG 48 19.865 -12.755 15.674 330 HE ARG 48 HE ARG 48 17.522 -12.303 14.283 331 1HH1 ARG 48 1HH1 ARG 48 19.458 -14.379 12.755 332 2HH1 ARG 48 2HH1 ARG 48 18.548 -15.823 13.050 333 1HH2 ARG 48 1HH2 ARG 48 16.485 -14.274 15.426 334 2HH2 ARG 48 2HH2 ARG 48 16.821 -15.763 14.607 335 CH2 TRP 49 CH2 TRP 49 16.729 -2.353 12.366 336 H TRP 49 H TRP 49 19.570 -8.876 14.654 337 HA TRP 49 HA TRP 49 19.441 -6.630 13.231 338 1HB TRP 49 1HB TRP 49 17.385 -7.158 14.375 339 2HB TRP 49 2HB TRP 49 18.201 -7.115 15.932 340 HD1 TRP 49 HD1 TRP 49 16.652 -5.533 16.954 341 HE1 TRP 49 HE1 TRP 49 15.492 -3.457 16.176 342 HE3 TRP 49 HE3 TRP 49 19.087 -4.707 12.657 343 HZ2 TRP 49 HZ2 TRP 49 15.216 -2.004 13.822 344 HZ3 TRP 49 HZ3 TRP 49 18.251 -3.060 11.054 345 HH2 TRP 49 HH2 TRP 49 16.392 -1.581 11.688 346 CH2 TRP 50 CH2 TRP 50 20.589 -9.425 19.881 347 H TRP 50 H TRP 50 19.938 -6.351 16.620 348 HA TRP 50 HA TRP 50 21.190 -3.726 16.240 349 1HB TRP 50 1HB TRP 50 21.785 -4.498 18.892 350 2HB TRP 50 2HB TRP 50 20.414 -3.522 18.402 351 HD1 TRP 50 HD1 TRP 50 18.013 -4.688 18.422 352 HE1 TRP 50 HE1 TRP 50 17.325 -7.103 18.595 353 HE3 TRP 50 HE3 TRP 50 22.407 -6.623 19.538 354 HZ2 TRP 50 HZ2 TRP 50 18.556 -9.635 19.293 355 HZ3 TRP 50 HZ3 TRP 50 22.648 -8.962 20.216 356 HH2 TRP 50 HH2 TRP 50 20.688 -10.450 20.211 357 H GLU 51 H GLU 51 22.982 -4.095 15.062 358 HA GLU 51 HA GLU 51 24.906 -5.985 15.139 359 1HB GLU 51 1HB GLU 51 25.137 -2.985 14.834 360 2HB GLU 51 2HB GLU 51 26.557 -4.013 14.673 361 1HG GLU 51 1HG GLU 51 25.494 -5.279 12.876 362 2HG GLU 51 2HG GLU 51 23.986 -4.396 13.101 363 H LEU 52 H LEU 52 26.235 -6.835 16.555 364 HA LEU 52 HA LEU 52 27.442 -7.201 18.517 365 1HB LEU 52 1HB LEU 52 27.939 -4.203 18.373 366 2HB LEU 52 2HB LEU 52 28.973 -5.412 19.125 367 HG LEU 52 HG LEU 52 28.331 -5.213 16.165 368 1HD1 LEU 52 2HD1 LEU 52 30.089 -3.689 17.564 369 2HD1 LEU 52 3HD1 LEU 52 31.106 -5.088 17.236 370 3HD1 LEU 52 1HD1 LEU 52 30.379 -4.196 15.902 371 1HD2 LEU 52 2HD2 LEU 52 29.724 -7.274 17.859 372 2HD2 LEU 52 3HD2 LEU 52 28.615 -7.515 16.510 373 3HD2 LEU 52 1HD2 LEU 52 30.275 -7.003 16.207 374 NH1 ARG 53 NH2 ARG 53 32.529 -4.790 23.402 375 NH2 ARG 53 NH1 ARG 53 32.582 -6.536 24.875 376 H ARG 53 H ARG 53 27.621 -6.858 20.759 377 HA ARG 53 HA ARG 53 25.335 -6.688 22.195 378 1HB ARG 53 1HB ARG 53 27.085 -5.574 24.000 379 2HB ARG 53 2HB ARG 53 27.065 -7.288 23.607 380 1HG ARG 53 1HG ARG 53 28.852 -7.055 22.035 381 2HG ARG 53 2HG ARG 53 28.705 -5.300 22.015 382 1HD ARG 53 1HD ARG 53 29.643 -5.083 24.185 383 2HD ARG 53 2HD ARG 53 29.361 -6.780 24.567 384 HE ARG 53 HE ARG 53 31.102 -7.036 22.518 385 1HH1 ARG 53 1HH2 ARG 53 32.099 -4.344 22.617 386 2HH1 ARG 53 ARG 53 33.328 -4.375 23.836 387 1HH2 ARG 53 1HH1 ARG 53 32.191 -7.396 25.197 388 2HH2 ARG 53 2HH1 ARG 53 33.387 -6.152 25.328 Start of MODEL 4 Raw file had 388 H/Q atoms Start of MODEL 4 1 1H ASN 1 1H ASN 1 -3.215 4.777 3.699 2 2H ASN 1 2H ASN 1 -3.287 5.339 2.098 3 3H ASN 1 3H ASN 1 -4.679 5.365 3.072 4 HA ASN 1 HA ASN 1 -5.236 3.346 2.457 5 1HB ASN 1 1HB ASN 1 -2.907 3.990 0.707 6 2HB ASN 1 2HB ASN 1 -3.295 2.274 0.817 7 1HD2 ASN 1 2HD2 ASN 1 -5.588 4.629 -1.460 8 2HD2 ASN 1 1HD2 ASN 1 -4.078 5.103 -0.848 9 H SER 2 H SER 2 -4.702 1.011 2.599 10 HA SER 2 HA SER 2 -3.909 -0.769 3.900 11 1HB SER 2 1HB SER 2 -1.798 0.118 2.502 12 2HB SER 2 2HB SER 2 -1.227 0.612 4.109 13 HG SER 2 HG SER 2 -0.864 -1.415 4.498 14 OH TYR 3 OH TYR 3 -8.534 4.219 11.291 15 H TYR 3 H TYR 3 -4.699 1.931 5.172 16 HA TYR 3 HA TYR 3 -4.618 2.968 7.259 17 1HB TYR 3 1HB TYR 3 -5.721 0.463 7.346 18 2HB TYR 3 2HB TYR 3 -4.549 0.385 8.659 19 HD1 TYR 3 HD1 TYR 3 -4.626 2.080 10.486 20 HD2 TYR 3 HD2 TYR 3 -7.627 1.927 7.485 21 HE1 TYR 3 HE1 TYR 3 -6.101 3.436 11.904 22 HE2 TYR 3 HE2 TYR 3 -9.115 3.279 8.904 23 HH TYR 3 HH TYR 3 -8.468 5.130 10.993 24 HA PRO 4 HA PRO 4 -0.209 2.562 8.314 25 1HB PRO 4 1HB PRO 4 -0.342 4.941 9.924 26 2HB PRO 4 2HB PRO 4 0.365 4.785 8.317 27 1HG PRO 4 1HG PRO 4 -2.088 6.132 9.048 28 2HG PRO 4 2HG PRO 4 -1.362 6.001 7.446 29 1HD PRO 4 2HD PRO 4 -3.690 4.614 8.475 30 2HD PRO 4 1HD PRO 4 -2.999 4.527 6.839 31 H GLY 5 H GLY 5 -0.230 0.906 9.736 32 1HA GLY 5 1HA GLY 5 0.273 0.357 12.088 33 2HA GLY 5 2HA GLY 5 -0.933 1.543 12.569 34 H CYS 6 H CYS 6 -2.004 -0.068 13.816 35 HA CYS 6 HA CYS 6 -3.799 -1.760 12.214 36 1HB CYS 6 1HB CYS 6 -3.404 -3.576 14.022 37 2HB CYS 6 2HB CYS 6 -2.114 -3.340 12.865 38 HA PRO 7 HA PRO 7 -7.027 -0.271 14.840 39 1HB PRO 7 1HB PRO 7 -7.519 -3.120 15.663 40 2HB PRO 7 2HB PRO 7 -8.649 -1.963 14.942 41 1HG PRO 7 1HG PRO 7 -7.334 -4.073 13.589 42 2HG PRO 7 2HG PRO 7 -8.158 -2.717 12.813 43 1HD PRO 7 2HD PRO 7 -5.336 -3.267 12.866 44 2HD PRO 7 1HD PRO 7 -6.142 -1.870 12.125 45 H SER 8 H SER 8 -6.351 0.725 16.652 46 HA SER 8 HA SER 8 -4.393 0.032 18.435 47 1HB SER 8 1HB SER 8 -7.043 1.258 19.318 48 2HB SER 8 2HB SER 8 -5.445 1.497 20.062 49 HG SER 8 HG SER 8 -4.905 2.050 17.699 50 H SER 9 H SER 9 -7.514 -1.500 18.239 51 HA SER 9 HA SER 9 -7.778 -2.589 20.806 52 1HB SER 9 1HB SER 9 -9.227 -3.021 18.648 53 2HB SER 9 2HB SER 9 -8.083 -4.338 18.323 54 HG SER 9 HG SER 9 -10.082 -4.288 20.077 55 OH TYR 10 OH TYR 10 -5.603 -8.403 14.657 56 H TYR 10 H TYR 10 -5.329 -2.974 18.535 57 HA TYR 10 HA TYR 10 -4.254 -5.471 19.528 58 1HB TYR 10 1HB TYR 10 -3.506 -3.396 17.464 59 2HB TYR 10 2HB TYR 10 -2.271 -4.530 18.009 60 HD1 TYR 10 HD2 TYR 10 -3.037 -7.017 18.103 61 HD2 TYR 10 HD1 TYR 10 -4.937 -4.064 15.739 62 HE1 TYR 10 HE2 TYR 10 -3.930 -8.778 16.663 63 HE2 TYR 10 HE1 TYR 10 -5.917 -5.788 14.336 64 HH TYR 10 HH TYR 10 -6.314 -8.791 15.171 65 H ASP 11 H ASP 11 -2.504 -2.499 18.975 66 HA ASP 11 HA ASP 11 -0.593 -1.745 20.143 67 1HB ASP 11 1HB ASP 11 -2.963 -0.770 20.820 68 2HB ASP 11 2HB ASP 11 -2.585 -1.516 22.376 69 H GLY 12 H GLY 12 -1.006 -4.665 20.502 70 1HA GLY 12 1HA GLY 12 0.707 -4.908 22.883 71 2HA GLY 12 2HA GLY 12 -0.838 -5.736 22.985 72 OH TYR 13 OH TYR 13 0.475 -11.352 14.191 73 H TYR 13 H TYR 13 -0.929 -6.624 20.193 74 HA TYR 13 HA TYR 13 1.026 -8.813 20.511 75 1HB TYR 13 1HB TYR 13 -0.892 -9.853 19.926 76 2HB TYR 13 2HB TYR 13 -1.565 -8.438 19.137 77 HD1 TYR 13 HD1 TYR 13 1.225 -10.919 18.632 78 HD2 TYR 13 HD2 TYR 13 -1.695 -8.416 16.849 79 HE1 TYR 13 HE1 TYR 13 1.645 -11.974 16.473 80 HE2 TYR 13 HE2 TYR 13 -1.323 -9.481 14.693 81 HH TYR 13 HH TYR 13 0.334 -12.298 14.267 82 H CYS 14 H CYS 14 2.805 -7.942 20.039 83 HA CYS 14 HA CYS 14 3.874 -8.105 17.458 84 1HB CYS 14 1HB CYS 14 2.884 -5.392 18.258 85 2HB CYS 14 2HB CYS 14 4.450 -5.463 17.491 86 H LEU 15 H LEU 15 5.446 -9.125 18.451 87 HA LEU 15 HA LEU 15 6.864 -7.976 20.742 88 1HB LEU 15 1HB LEU 15 6.640 -10.547 19.331 89 2HB LEU 15 2HB LEU 15 8.193 -10.226 20.081 90 HG LEU 15 HG LEU 15 7.170 -9.818 22.214 91 1HD1 LEU 15 1HD1 LEU 15 4.656 -9.747 20.611 92 2HD1 LEU 15 2HD1 LEU 15 4.523 -10.379 22.237 93 3HD1 LEU 15 3HD1 LEU 15 5.137 -8.759 21.976 94 1HD2 LEU 15 3HD2 LEU 15 6.864 -12.298 20.745 95 2HD2 LEU 15 1HD2 LEU 15 7.394 -12.043 22.404 96 3HD2 LEU 15 2HD2 LEU 15 5.679 -12.198 22.036 97 H ASN 16 H ASN 16 8.895 -7.657 20.932 98 HA ASN 16 HA ASN 16 10.781 -6.362 20.189 99 1HB ASN 16 1HB ASN 16 11.259 -8.914 18.705 100 2HB ASN 16 2HB ASN 16 12.310 -8.033 19.810 101 1HD2 ASN 16 2HD2 ASN 16 10.586 -11.050 21.448 102 2HD2 ASN 16 1HD2 ASN 16 11.325 -10.902 19.920 103 H GLY 17 H GLY 17 10.447 -4.731 18.795 104 1HA GLY 17 1HA GLY 17 10.193 -3.610 16.740 105 2HA GLY 17 2HA GLY 17 11.420 -4.752 16.205 106 H GLY 18 H GLY 18 8.092 -5.444 17.214 107 1HA GLY 18 1HA GLY 18 7.711 -6.899 14.678 108 2HA GLY 18 2HA GLY 18 6.620 -6.938 16.059 109 H VAL 19 H VAL 19 7.250 -5.550 13.020 110 HA VAL 19 HA VAL 19 5.728 -3.146 13.372 111 HB VAL 19 HB VAL 19 6.076 -4.590 10.735 112 1HG1 VAL 19 1HG1 VAL 19 4.833 -2.328 11.112 113 2HG1 VAL 19 2HG1 VAL 19 6.446 -1.655 11.326 114 3HG1 VAL 19 3HG1 VAL 19 6.008 -2.423 9.803 115 1HG2 VAL 19 2HG2 VAL 19 8.164 -3.192 12.419 116 2HG2 VAL 19 3HG2 VAL 19 8.270 -4.774 11.654 117 3HG2 VAL 19 1HG2 VAL 19 8.327 -3.316 10.670 118 H CYS 20 H CYS 20 3.642 -2.994 13.586 119 HA CYS 20 HA CYS 20 1.945 -5.316 12.963 120 1HB CYS 20 1HB CYS 20 0.591 -4.514 14.609 121 2HB CYS 20 2HB CYS 20 1.989 -3.572 15.050 122 H MET 21 H MET 21 1.238 -5.469 10.935 123 HA MET 21 HA MET 21 0.498 -2.944 9.530 124 1HB MET 21 1HB MET 21 0.624 -4.427 7.448 125 2HB MET 21 2HB MET 21 2.153 -4.178 8.281 126 1HG MET 21 1HG MET 21 1.917 -6.299 9.428 127 2HG MET 21 2HG MET 21 0.333 -6.530 8.730 128 1HE MET 21 3HE MET 21 -0.114 -6.452 6.387 129 2HE MET 21 1HE MET 21 1.166 -5.694 5.440 130 3HE MET 21 2HE MET 21 0.776 -7.397 5.191 131 H HIS 22 H HIS 22 -1.293 -3.111 8.018 132 HA HIS 22 HA HIS 22 -3.485 -4.960 8.864 133 1HB HIS 22 1HB HIS 22 -3.807 -2.968 10.196 134 2HB HIS 22 2HB HIS 22 -3.497 -1.921 8.819 135 HD1 HIS 22 HD1 HIS 22 -5.956 -1.112 9.537 136 HD2 HIS 22 HD2 HIS 22 -5.858 -4.823 7.868 137 HE1 HIS 22 HE1 HIS 22 -8.271 -1.650 9.016 138 H ILE 23 H ILE 23 -3.972 -5.922 6.917 139 HA ILE 23 HA ILE 23 -3.763 -4.418 4.443 140 HB ILE 23 HB ILE 23 -5.150 -7.085 4.760 141 1HG1 ILE 23 1HG1 ILE 23 -2.325 -7.262 3.990 142 2HG1 ILE 23 2HG1 ILE 23 -2.525 -6.702 5.639 143 1HG2 ILE 23 3HG2 ILE 23 -5.220 -5.918 2.563 144 2HG2 ILE 23 1HG2 ILE 23 -3.463 -5.833 2.551 145 3HG2 ILE 23 2HG2 ILE 23 -4.269 -7.396 2.444 146 1HD1 ILE 23 3HD1 ILE 23 -3.917 -9.145 4.510 147 2HD1 ILE 23 1HD1 ILE 23 -2.415 -9.206 5.424 148 3HD1 ILE 23 2HD1 ILE 23 -3.890 -8.631 6.192 149 H GLU 24 H GLU 24 -5.248 -2.884 4.245 150 HA GLU 24 HA GLU 24 -7.829 -2.792 5.345 151 1HB GLU 24 1HB GLU 24 -6.291 -1.258 3.483 152 2HB GLU 24 2HB GLU 24 -7.860 -1.538 2.735 153 1HG GLU 24 1HG GLU 24 -8.972 -0.754 4.831 154 2HG GLU 24 2HG GLU 24 -7.388 -0.403 5.517 155 H SER 25 H SER 25 -6.920 -3.937 2.096 156 HA SER 25 HA SER 25 -9.411 -4.518 1.061 157 1HB SER 25 1HB SER 25 -7.099 -6.509 0.932 158 2HB SER 25 2HB SER 25 -8.312 -6.175 -0.320 159 HG SER 25 HG SER 25 -7.307 -4.385 -0.833 160 H LEU 26 H LEU 26 -7.533 -7.074 2.670 161 HA LEU 26 HA LEU 26 -9.903 -8.568 3.207 162 1HB LEU 26 1HB LEU 26 -6.971 -8.859 3.688 163 2HB LEU 26 2HB LEU 26 -8.023 -9.776 4.758 164 HG LEU 26 HG LEU 26 -9.170 -10.742 2.767 165 1HD1 LEU 26 3HD1 LEU 26 -7.052 -9.141 1.293 166 2HD1 LEU 26 1HD1 LEU 26 -8.018 -10.410 0.545 167 3HD1 LEU 26 2HD1 LEU 26 -8.799 -8.956 1.159 168 1HD2 LEU 26 1HD2 LEU 26 -6.566 -11.300 3.738 169 2HD2 LEU 26 2HD2 LEU 26 -7.646 -12.408 2.894 170 3HD2 LEU 26 3HD2 LEU 26 -6.477 -11.452 1.986 171 H ASP 27 H ASP 27 -8.789 -5.864 4.664 172 HA ASP 27 HA ASP 27 -9.023 -4.941 6.821 173 1HB ASP 27 1HB ASP 27 -11.438 -6.657 6.285 174 2HB ASP 27 2HB ASP 27 -11.239 -6.031 7.919 175 H SER 28 H SER 28 -7.794 -7.820 6.455 176 HA SER 28 HA SER 28 -8.185 -9.002 9.058 177 1HB SER 28 1HB SER 28 -6.162 -9.521 6.828 178 2HB SER 28 2HB SER 28 -6.290 -10.525 8.286 179 HG SER 28 HG SER 28 -7.992 -11.400 7.445 180 OH TYR 29 OH TYR 29 -9.068 -4.177 10.873 181 H TYR 29 H TYR 29 -5.556 -9.750 9.745 182 HA TYR 29 HA TYR 29 -4.019 -7.267 10.114 183 1HB TYR 29 1HB TYR 29 -5.316 -8.767 12.426 184 2HB TYR 29 2HB TYR 29 -4.155 -7.450 12.621 185 HD1 TYR 29 HD2 TYR 29 -4.713 -5.230 11.450 186 HD2 TYR 29 HD1 TYR 29 -7.607 -8.260 12.153 187 HE1 TYR 29 HE2 TYR 29 -6.488 -3.700 10.828 188 HE2 TYR 29 HE1 TYR 29 -9.396 -6.691 11.581 189 HH TYR 29 HH TYR 29 -8.672 -3.447 10.390 190 H THR 30 H THR 30 -1.916 -7.585 10.819 191 HA THR 30 HA THR 30 -1.000 -10.105 11.845 192 HB THR 30 HB THR 30 -1.405 -10.862 9.489 193 HG1 THR 30 HG1 THR 30 0.446 -11.845 9.668 194 1HG2 THR 30 2HG2 THR 30 -0.964 -8.455 8.527 195 2HG2 THR 30 3HG2 THR 30 0.744 -8.837 8.717 196 3HG2 THR 30 1HG2 THR 30 -0.256 -9.797 7.633 197 H CYS 31 H CYS 31 1.089 -10.016 12.508 198 HA CYS 31 HA CYS 31 2.461 -7.387 12.145 199 1HB CYS 31 1HB CYS 31 1.615 -8.097 14.468 200 2HB CYS 31 2HB CYS 31 2.812 -9.362 14.420 201 H ASN 32 H ASN 32 4.543 -7.316 11.554 202 HA ASN 32 HA ASN 32 5.850 -9.936 10.918 203 1HB ASN 32 1HB ASN 32 5.180 -8.164 9.062 204 2HB ASN 32 2HB ASN 32 6.602 -7.294 9.633 205 1HD2 ASN 32 2HD2 ASN 32 7.315 -11.077 8.169 206 2HD2 ASN 32 1HD2 ASN 32 5.969 -10.818 9.170 207 H CYS 33 H CYS 33 7.982 -10.233 11.434 208 HA CYS 33 HA CYS 33 9.006 -8.439 13.537 209 1HB CYS 33 1HB CYS 33 10.483 -10.840 12.548 210 2HB CYS 33 2HB CYS 33 10.325 -10.264 14.195 211 H VAL 34 H VAL 34 11.812 -9.281 12.958 212 HA VAL 34 HA VAL 34 12.457 -8.114 10.380 213 HB VAL 34 HB VAL 34 13.862 -6.441 12.324 214 1HG1 VAL 34 2HG1 VAL 34 12.009 -5.851 10.003 215 2HG1 VAL 34 3HG1 VAL 34 13.058 -4.676 10.789 216 3HG1 VAL 34 1HG1 VAL 34 13.760 -6.034 9.916 217 1HG2 VAL 34 2HG2 VAL 34 11.435 -6.736 13.419 218 2HG2 VAL 34 3HG2 VAL 34 12.191 -5.164 13.310 219 3HG2 VAL 34 1HG2 VAL 34 10.976 -5.640 12.124 220 H ILE 35 H ILE 35 14.979 -7.259 10.829 221 HA ILE 35 HA ILE 35 16.468 -9.689 10.870 222 HB ILE 35 HB ILE 35 17.078 -7.827 9.474 223 1HG1 ILE 35 1HG1 ILE 35 19.245 -7.388 11.425 224 2HG1 ILE 35 2HG1 ILE 35 18.904 -9.072 11.065 225 1HG2 ILE 35 1HG2 ILE 35 16.812 -6.337 12.093 226 2HG2 ILE 35 2HG2 ILE 35 17.872 -5.658 10.860 227 3HG2 ILE 35 3HG2 ILE 35 16.166 -5.910 10.519 228 1HD1 ILE 35 1HD1 ILE 35 19.334 -6.942 8.950 229 2HD1 ILE 35 2HD1 ILE 35 20.581 -8.060 9.488 230 3HD1 ILE 35 3HD1 ILE 35 19.144 -8.669 8.673 231 H GLY 36 H GLY 36 15.443 -9.961 13.248 232 1HA GLY 36 1HA GLY 36 17.304 -10.568 15.087 233 2HA GLY 36 2HA GLY 36 17.206 -8.862 15.358 234 OH TYR 37 OH TYR 37 14.670 -4.681 18.063 235 H TYR 37 H TYR 37 14.533 -10.392 14.165 236 HA TYR 37 HA TYR 37 13.251 -10.872 16.743 237 1HB TYR 37 1HB TYR 37 12.182 -9.029 14.598 238 2HB TYR 37 2HB TYR 37 11.430 -9.345 16.156 239 HD1 TYR 37 HD2 TYR 37 13.408 -8.998 18.183 240 HD2 TYR 37 HD1 TYR 37 13.390 -7.031 14.441 241 HE1 TYR 37 HE2 TYR 37 14.319 -7.037 19.204 242 HE2 TYR 37 HE1 TYR 37 14.099 -4.930 15.457 243 HH TYR 37 HH TYR 37 14.663 -4.842 19.009 244 H SER 38 H SER 38 12.472 -12.889 16.511 245 HA SER 38 HA SER 38 10.694 -13.506 14.317 246 1HB SER 38 1HB SER 38 12.536 -15.490 13.689 247 2HB SER 38 2HB SER 38 12.463 -13.937 12.845 248 HG SER 38 HG SER 38 14.281 -13.454 13.748 249 H GLY 39 H GLY 39 11.065 -16.321 14.249 250 1HA GLY 39 1HA GLY 39 10.971 -18.260 15.692 251 2HA GLY 39 2HA GLY 39 10.812 -17.180 17.079 252 H ASP 40 H ASP 40 8.893 -18.127 17.873 253 HA ASP 40 HA ASP 40 6.620 -18.921 16.484 254 1HB ASP 40 1HB ASP 40 6.931 -18.952 19.001 255 2HB ASP 40 2HB ASP 40 6.653 -17.213 19.031 256 NH1 ARG 41 NH2 ARG 41 3.212 -14.341 20.709 257 NH2 ARG 41 NH1 ARG 41 2.773 -12.348 21.736 258 H ARG 41 H ARG 41 6.205 -15.855 18.146 259 HA ARG 41 HA ARG 41 4.865 -14.790 15.762 260 1HB ARG 41 1HB ARG 41 3.614 -14.308 17.760 261 2HB ARG 41 2HB ARG 41 5.063 -14.144 18.738 262 1HG ARG 41 1HG ARG 41 5.492 -11.969 17.437 263 2HG ARG 41 2HG ARG 41 3.856 -12.123 16.853 264 1HD ARG 41 1HD ARG 41 4.819 -11.800 19.688 265 2HD ARG 41 2HD ARG 41 3.757 -10.732 18.772 266 HE ARG 41 HE ARG 41 2.019 -12.466 19.015 267 1HH1 ARG 41 1HH2 ARG 41 3.345 -14.857 19.863 268 2HH1 ARG 41 2HH2 ARG 41 3.280 -14.801 21.593 269 1HH2 ARG 41 1HH1 ARG 41 2.577 -11.369 21.659 270 2HH2 ARG 41 2HH1 ARG 41 2.832 -12.777 22.636 271 H CYS 42 H CYS 42 7.110 -13.575 18.164 272 HA CYS 42 HA CYS 42 9.335 -13.048 16.487 273 1HB CYS 42 1HB CYS 42 7.869 -10.538 17.325 274 2HB CYS 42 2HB CYS 42 9.332 -10.639 16.371 275 H GLN 43 H GLN 43 8.468 -14.012 19.094 276 HA GLN 43 HA GLN 43 9.307 -12.131 21.104 277 1HB GLN 43 1HB GLN 43 9.322 -14.136 22.592 278 2HB GLN 43 2HB GLN 43 7.877 -14.151 21.594 279 1HG GLN 43 1HG GLN 43 9.089 -15.654 19.969 280 2HG GLN 43 2HG GLN 43 10.401 -15.765 21.138 281 1HE2 GLN 43 2HE2 GLN 43 7.531 -18.369 21.566 282 2HE2 GLN 43 1HE2 GLN 43 8.076 -17.669 20.118 283 H THR 44 H THR 44 11.002 -14.032 18.851 284 HA THR 44 HA THR 44 13.346 -14.480 20.459 285 HB THR 44 HB THR 44 13.279 -14.577 17.415 286 HG1 THR 44 HG1 THR 44 11.603 -15.689 19.085 287 1HG2 THR 44 2HG2 THR 44 15.407 -15.130 18.816 288 2HG2 THR 44 3HG2 THR 44 14.484 -16.454 19.518 289 3HG2 THR 44 1HG2 THR 44 14.834 -16.442 17.793 290 NH1 ARG 45 NH1 ARG 45 12.468 -6.395 23.128 291 NH2 ARG 45 NH2 ARG 45 12.564 -7.889 24.854 292 H ARG 45 H ARG 45 13.903 -12.431 21.209 293 HA ARG 45 HA ARG 45 14.937 -10.444 19.241 294 1HB ARG 45 1HB ARG 45 13.465 -9.629 21.049 295 2HB ARG 45 2HB ARG 45 14.435 -10.450 22.269 296 1HG ARG 45 1HG ARG 45 16.209 -8.982 22.034 297 2HG ARG 45 2HG ARG 45 15.757 -8.548 20.394 298 1HD ARG 45 1HD ARG 45 15.241 -6.665 21.882 299 2HD ARG 45 2HD ARG 45 13.737 -7.379 21.329 300 HE ARG 45 HE ARG 45 14.807 -8.315 23.927 301 1HH1 ARG 45 1HH1 ARG 45 12.883 -6.003 22.308 302 2HH1 ARG 45 2HH1 ARG 45 11.586 -6.049 23.453 303 1HH2 ARG 45 1HH2 ARG 45 13.053 -8.620 25.329 304 2HH2 ARG 45 2HH2 ARG 45 11.686 -7.561 25.208 305 H ASP 46 H ASP 46 16.741 -11.923 18.715 306 HA ASP 46 HA ASP 46 18.650 -12.454 20.947 307 1HB ASP 46 1HB ASP 46 17.826 -14.210 19.211 308 2HB ASP 46 2HB ASP 46 18.971 -13.456 18.113 309 H LEU 47 H LEU 47 21.018 -12.581 20.155 310 HA LEU 47 HA LEU 47 21.986 -9.916 19.845 311 1HB LEU 47 1HB LEU 47 23.551 -12.403 19.033 312 2HB LEU 47 2HB LEU 47 24.166 -10.938 19.784 313 HG LEU 47 HG LEU 47 22.491 -13.113 21.062 314 1HD1 LEU 47 2HD1 LEU 47 25.207 -11.897 21.690 315 2HD1 LEU 47 3HD1 LEU 47 24.429 -13.171 22.622 316 3HD1 LEU 47 1HD1 LEU 47 24.935 -13.477 20.964 317 1HD2 LEU 47 3HD2 LEU 47 23.057 -10.281 21.930 318 2HD2 LEU 47 1HD2 LEU 47 21.533 -11.162 21.959 319 3HD2 LEU 47 2HD2 LEU 47 22.794 -11.553 23.122 320 NH1 ARG 48 NH1 ARG 48 20.159 -13.907 13.346 321 NH2 ARG 48 NH2 ARG 48 19.120 -15.707 14.295 322 H ARG 48 H ARG 48 20.537 -9.444 17.853 323 HA ARG 48 HA ARG 48 22.189 -9.798 15.519 324 1HB ARG 48 1HB ARG 48 19.514 -10.117 14.593 325 2HB ARG 48 2HB ARG 48 20.804 -11.287 14.543 326 1HG ARG 48 1HG ARG 48 20.220 -11.949 16.921 327 2HG ARG 48 2HG ARG 48 18.830 -10.875 16.838 328 1HD ARG 48 1HD ARG 48 17.803 -12.807 16.075 329 2HD ARG 48 2HD ARG 48 18.504 -12.322 14.532 330 HE ARG 48 HE ARG 48 20.006 -14.178 16.298 331 1HH1 ARG 48 1HH1 ARG 48 20.506 -12.973 13.438 332 2HH1 ARG 48 2HH1 ARG 48 20.223 -14.381 12.468 333 1HH2 ARG 48 1HH2 ARG 48 18.688 -16.121 15.097 334 2HH2 ARG 48 2HH2 ARG 48 19.171 -16.214 13.436 335 CH2 TRP 49 CH2 TRP 49 16.254 -2.403 12.190 336 H TRP 49 H TRP 49 18.985 -8.636 15.249 337 HA TRP 49 HA TRP 49 19.389 -6.401 13.843 338 1HB TRP 49 1HB TRP 49 17.081 -6.800 14.432 339 2HB TRP 49 2HB TRP 49 17.468 -6.786 16.137 340 HD1 TRP 49 HD1 TRP 49 16.732 -4.432 17.284 341 HE1 TRP 49 HE1 TRP 49 15.147 -2.908 16.173 342 HE3 TRP 49 HE3 TRP 49 18.613 -4.679 12.869 343 HZ2 TRP 49 HZ2 TRP 49 14.733 -1.874 13.577 344 HZ3 TRP 49 HZ3 TRP 49 17.786 -3.294 10.995 345 HH2 TRP 49 HH2 TRP 49 15.924 -1.729 11.413 346 CH2 TRP 50 CH2 TRP 50 20.150 -8.526 21.944 347 H TRP 50 H TRP 50 18.552 -5.784 17.020 348 HA TRP 50 HA TRP 50 19.794 -3.312 17.161 349 1HB TRP 50 1HB TRP 50 19.667 -3.877 19.796 350 2HB TRP 50 2HB TRP 50 18.185 -3.676 18.881 351 HD1 TRP 50 HD1 TRP 50 16.812 -6.050 18.216 352 HE1 TRP 50 HE1 TRP 50 17.068 -8.339 19.131 353 HE3 TRP 50 HE3 TRP 50 20.846 -5.341 21.095 354 HZ2 TRP 50 HZ2 TRP 50 18.632 -9.737 21.032 355 HZ3 TRP 50 HZ3 TRP 50 21.595 -7.110 22.625 356 HH2 TRP 50 HH2 TRP 50 20.457 -9.286 22.640 357 H GLU 51 H GLU 51 20.866 -6.110 19.068 358 HA GLU 51 HA GLU 51 22.998 -6.741 19.782 359 1HB GLU 51 1HB GLU 51 23.111 -6.172 16.994 360 2HB GLU 51 2HB GLU 51 24.541 -5.419 17.698 361 1HG GLU 51 1HG GLU 51 25.101 -7.559 18.826 362 2HG GLU 51 2HG GLU 51 23.683 -8.308 18.097 363 H LEU 52 H LEU 52 21.963 -3.680 19.797 364 HA LEU 52 HA LEU 52 22.728 -1.691 20.758 365 1HB LEU 52 1HB LEU 52 23.289 -3.786 22.470 366 2HB LEU 52 2HB LEU 52 24.889 -3.083 22.266 367 HG LEU 52 HG LEU 52 23.663 -0.800 22.687 368 1HD1 LEU 52 1HD1 LEU 52 21.444 -2.344 22.666 369 2HD1 LEU 52 2HD1 LEU 52 21.823 -2.421 24.383 370 3HD1 LEU 52 3HD1 LEU 52 21.551 -0.863 23.613 371 1HD2 LEU 52 3HD2 LEU 52 24.218 -2.906 24.797 372 2HD2 LEU 52 1HD2 LEU 52 25.292 -1.618 24.258 373 3HD2 LEU 52 2HD2 LEU 52 23.854 -1.230 25.198 374 NH1 ARG 53 NH2 ARG 53 27.062 5.287 23.023 375 NH2 ARG 53 NH1 ARG 53 25.817 4.545 24.787 376 H ARG 53 H ARG 53 24.758 -0.354 21.188 377 HA ARG 53 HA ARG 53 26.165 0.152 18.927 378 1HB ARG 53 1HB ARG 53 27.619 0.241 21.581 379 2HB ARG 53 2HB ARG 53 27.685 1.402 20.262 380 1HG ARG 53 1HG ARG 53 25.039 1.528 20.834 381 2HG ARG 53 2HG ARG 53 25.664 1.114 22.428 382 1HD ARG 53 1HD ARG 53 27.424 3.010 21.920 383 2HD ARG 53 2HD ARG 53 26.222 3.548 20.748 384 HE ARG 53 HE ARG 53 24.648 3.372 22.894 385 1HH1 ARG 53 1HH2 ARG 53 27.305 5.214 22.055 386 2HH1 ARG 53 ARG 53 27.509 5.971 23.600 387 1HH2 ARG 53 1HH1 ARG 53 25.127 3.914 25.143 388 2HH2 ARG 53 2HH1 ARG 53 26.241 5.216 25.394 Start of MODEL 5 Raw file had 388 H/Q atoms Start of MODEL 5 1 1H ASN 1 1H ASN 1 -7.110 1.853 -0.379 2 2H ASN 1 2H ASN 1 -8.726 1.337 -0.481 3 3H ASN 1 3H ASN 1 -8.226 2.303 0.820 4 HA ASN 1 HA ASN 1 -8.236 0.280 1.821 5 1HB ASN 1 1HB ASN 1 -7.051 -0.921 -0.727 6 2HB ASN 1 2HB ASN 1 -7.646 -1.814 0.670 7 1HD2 ASN 1 2HD2 ASN 1 -10.356 -0.111 -1.912 8 2HD2 ASN 1 1HD2 ASN 1 -8.767 0.485 -1.857 9 H SER 2 H SER 2 -6.702 0.379 3.294 10 HA SER 2 HA SER 2 -4.115 -0.500 3.075 11 1HB SER 2 1HB SER 2 -3.089 2.037 3.173 12 2HB SER 2 2HB SER 2 -3.302 1.182 1.632 13 HG SER 2 HG SER 2 -4.448 3.053 1.426 14 OH TYR 3 OH TYR 3 -9.161 6.542 8.307 15 H TYR 3 H TYR 3 -4.683 2.715 4.347 16 HA TYR 3 HA TYR 3 -4.620 3.513 6.535 17 1HB TYR 3 1HB TYR 3 -6.526 1.339 6.392 18 2HB TYR 3 2HB TYR 3 -5.803 1.412 8.001 19 HD1 TYR 3 HD1 TYR 3 -5.892 3.569 9.296 20 HD2 TYR 3 HD2 TYR 3 -7.985 3.091 5.622 21 HE1 TYR 3 HE1 TYR 3 -7.266 5.532 9.821 22 HE2 TYR 3 HE2 TYR 3 -9.352 5.058 6.146 23 HH TYR 3 HH TYR 3 -9.838 6.284 8.938 24 HA PRO 4 HA PRO 4 -0.995 1.089 7.904 25 1HB PRO 4 1HB PRO 4 -0.021 3.280 9.470 26 2HB PRO 4 2HB PRO 4 0.548 2.800 7.870 27 1HG PRO 4 1HG PRO 4 -1.038 5.131 8.592 28 2HG PRO 4 2HG PRO 4 -0.358 4.720 7.018 29 1HD PRO 4 2HD PRO 4 -3.110 4.551 7.861 30 2HD PRO 4 1HD PRO 4 -2.431 4.142 6.272 31 H GLY 5 H GLY 5 0.061 1.040 10.279 32 1HA GLY 5 1HA GLY 5 -0.253 0.602 12.571 33 2HA GLY 5 2HA GLY 5 -1.707 1.588 12.497 34 H CYS 6 H CYS 6 -2.677 0.011 13.904 35 HA CYS 6 HA CYS 6 -4.122 -2.006 12.443 36 1HB CYS 6 1HB CYS 6 -2.261 -2.879 14.704 37 2HB CYS 6 2HB CYS 6 -3.255 -3.944 13.750 38 HA PRO 7 HA PRO 7 -7.316 -1.065 15.344 39 1HB PRO 7 1HB PRO 7 -7.434 -3.957 16.097 40 2HB PRO 7 2HB PRO 7 -8.713 -2.925 15.450 41 1HG PRO 7 1HG PRO 7 -7.240 -4.853 13.967 42 2HG PRO 7 2HG PRO 7 -8.253 -3.575 13.284 43 1HD PRO 7 2HD PRO 7 -5.381 -3.774 13.211 44 2HD PRO 7 1HD PRO 7 -6.393 -2.503 12.494 45 H SER 8 H SER 8 -7.657 -0.860 17.627 46 HA SER 8 HA SER 8 -5.342 -0.609 19.199 47 1HB SER 8 1HB SER 8 -8.174 -1.243 20.182 48 2HB SER 8 2HB SER 8 -6.875 -0.513 21.155 49 HG SER 8 HG SER 8 -8.448 0.911 19.909 50 H SER 9 H SER 9 -7.318 -3.424 18.606 51 HA SER 9 HA SER 9 -6.619 -5.091 20.735 52 1HB SER 9 1HB SER 9 -6.586 -5.978 17.801 53 2HB SER 9 2HB SER 9 -7.066 -6.943 19.213 54 HG SER 9 HG SER 9 -8.678 -5.291 19.594 55 OH TYR 10 OH TYR 10 -4.489 -8.693 14.619 56 H TYR 10 H TYR 10 -4.623 -3.676 18.398 57 HA TYR 10 HA TYR 10 -2.412 -5.533 18.892 58 1HB TYR 10 1HB TYR 10 -2.868 -3.237 16.966 59 2HB TYR 10 2HB TYR 10 -1.309 -4.051 17.105 60 HD1 TYR 10 HD2 TYR 10 -1.198 -6.469 16.727 61 HD2 TYR 10 HD1 TYR 10 -4.711 -4.340 15.824 62 HE1 TYR 10 HE2 TYR 10 -2.089 -8.484 15.706 63 HE2 TYR 10 HE1 TYR 10 -5.622 -6.309 14.718 64 HH TYR 10 HH TYR 10 -5.415 -8.724 14.872 65 H ASP 11 H ASP 11 -3.470 -3.708 20.873 66 HA ASP 11 HA ASP 11 -1.642 -1.522 21.205 67 1HB ASP 11 1HB ASP 11 -3.871 -1.581 22.312 68 2HB ASP 11 2HB ASP 11 -3.388 -3.014 23.220 69 H GLY 12 H GLY 12 -0.770 -4.524 20.999 70 1HA GLY 12 1HA GLY 12 1.737 -4.338 22.145 71 2HA GLY 12 2HA GLY 12 0.730 -4.892 23.472 72 OH TYR 13 OH TYR 13 0.974 -11.108 14.338 73 H TYR 13 H TYR 13 0.336 -5.859 20.061 74 HA TYR 13 HA TYR 13 0.688 -8.670 20.965 75 1HB TYR 13 1HB TYR 13 -1.132 -8.805 19.555 76 2HB TYR 13 2HB TYR 13 -0.743 -7.300 18.761 77 HD1 TYR 13 HD2 TYR 13 0.790 -7.305 16.763 78 HD2 TYR 13 HD1 TYR 13 -0.219 -10.968 18.681 79 HE1 TYR 13 HE2 TYR 13 1.102 -8.517 14.654 80 HE2 TYR 13 HE1 TYR 13 0.223 -12.166 16.609 81 HH TYR 13 HH TYR 13 1.886 -11.403 14.371 82 H CYS 14 H CYS 14 1.910 -6.659 18.237 83 HA CYS 14 HA CYS 14 3.902 -8.621 17.636 84 1HB CYS 14 1HB CYS 14 3.107 -6.106 16.596 85 2HB CYS 14 2HB CYS 14 4.778 -5.897 17.057 86 H LEU 15 H LEU 15 5.763 -9.047 18.433 87 HA LEU 15 HA LEU 15 6.694 -7.584 20.834 88 1HB LEU 15 1HB LEU 15 7.152 -10.255 19.549 89 2HB LEU 15 2HB LEU 15 8.372 -9.635 20.629 90 HG LEU 15 HG LEU 15 6.700 -11.211 21.631 91 1HD1 LEU 15 1HD1 LEU 15 7.313 -8.496 22.741 92 2HD1 LEU 15 2HD1 LEU 15 6.266 -9.584 23.642 93 3HD1 LEU 15 3HD1 LEU 15 7.907 -10.074 23.225 94 1HD2 LEU 15 3HD2 LEU 15 4.741 -10.344 20.428 95 2HD2 LEU 15 1HD2 LEU 15 4.483 -10.348 22.175 96 3HD2 LEU 15 2HD2 LEU 15 4.837 -8.837 21.347 97 H ASN 16 H ASN 16 9.013 -7.594 21.152 98 HA ASN 16 HA ASN 16 10.916 -6.266 20.496 99 1HB ASN 16 1HB ASN 16 11.119 -8.725 18.795 100 2HB ASN 16 2HB ASN 16 12.333 -7.970 19.816 101 1HD2 ASN 16 2HD2 ASN 16 10.527 -10.920 21.523 102 2HD2 ASN 16 1HD2 ASN 16 11.129 -10.776 19.938 103 H GLY 17 H GLY 17 10.491 -4.463 19.289 104 1HA GLY 17 1HA GLY 17 10.174 -3.140 17.362 105 2HA GLY 17 2HA GLY 17 11.493 -4.133 16.755 106 H GLY 18 H GLY 18 8.467 -5.655 17.538 107 1HA GLY 18 1HA GLY 18 8.195 -6.641 14.840 108 2HA GLY 18 2HA GLY 18 7.017 -6.850 16.131 109 H VAL 19 H VAL 19 7.661 -5.272 13.216 110 HA VAL 19 HA VAL 19 5.980 -2.968 13.766 111 HB VAL 19 HB VAL 19 6.784 -3.918 11.004 112 1HG1 VAL 19 1HG1 VAL 19 5.339 -1.894 11.293 113 2HG1 VAL 19 2HG1 VAL 19 6.616 -1.161 12.258 114 3HG1 VAL 19 3HG1 VAL 19 6.892 -1.517 10.555 115 1HG2 VAL 19 2HG2 VAL 19 8.525 -2.955 13.235 116 2HG2 VAL 19 3HG2 VAL 19 8.908 -4.068 11.925 117 3HG2 VAL 19 1HG2 VAL 19 8.858 -2.334 11.623 118 H CYS 20 H CYS 20 3.841 -2.866 13.529 119 HA CYS 20 HA CYS 20 2.462 -5.268 12.455 120 1HB CYS 20 1HB CYS 20 0.825 -4.784 13.971 121 2HB CYS 20 2HB CYS 20 2.007 -3.720 14.688 122 H MET 21 H MET 21 1.545 -5.284 10.517 123 HA MET 21 HA MET 21 0.968 -2.655 9.219 124 1HB MET 21 1HB MET 21 1.334 -3.777 7.054 125 2HB MET 21 2HB MET 21 2.748 -3.994 8.073 126 1HG MET 21 1HG MET 21 1.884 -6.220 8.743 127 2HG MET 21 2HG MET 21 0.522 -5.993 7.674 128 1HE MET 21 3HE MET 21 0.693 -5.359 5.387 129 2HE MET 21 1HE MET 21 2.264 -4.676 4.977 130 3HE MET 21 2HE MET 21 1.730 -6.174 4.215 131 H HIS 22 H HIS 22 -0.863 -2.581 7.801 132 HA HIS 22 HA HIS 22 -2.964 -4.634 8.366 133 1HB HIS 22 1HB HIS 22 -3.319 -2.853 9.961 134 2HB HIS 22 2HB HIS 22 -3.101 -1.621 8.726 135 HD1 HIS 22 HD1 HIS 22 -5.563 -0.960 9.456 136 HD2 HIS 22 HD2 HIS 22 -5.368 -4.613 7.684 137 HE1 HIS 22 HE1 HIS 22 -7.871 -1.636 9.067 138 H ILE 23 H ILE 23 -3.931 -5.234 6.524 139 HA ILE 23 HA ILE 23 -3.997 -3.361 4.238 140 HB ILE 23 HB ILE 23 -4.706 -6.190 3.738 141 1HG1 ILE 23 1HG1 ILE 23 -1.904 -5.480 4.659 142 2HG1 ILE 23 2HG1 ILE 23 -3.019 -6.573 5.476 143 1HG2 ILE 23 3HG2 ILE 23 -4.109 -4.247 2.091 144 2HG2 ILE 23 1HG2 ILE 23 -2.434 -4.575 2.531 145 3HG2 ILE 23 2HG2 ILE 23 -3.405 -5.828 1.762 146 1HD1 ILE 23 3HD1 ILE 23 -3.079 -7.871 3.231 147 2HD1 ILE 23 1HD1 ILE 23 -1.629 -6.958 2.822 148 3HD1 ILE 23 2HD1 ILE 23 -1.633 -8.024 4.223 149 H GLU 24 H GLU 24 -5.895 -2.319 4.462 150 HA GLU 24 HA GLU 24 -8.229 -3.129 5.729 151 1HB GLU 24 1HB GLU 24 -7.489 -1.042 3.950 152 2HB GLU 24 2HB GLU 24 -8.942 -1.759 3.266 153 1HG GLU 24 1HG GLU 24 -9.987 -1.600 5.583 154 2HG GLU 24 2HG GLU 24 -8.588 -0.646 6.068 155 H SER 25 H SER 25 -7.134 -4.091 2.543 156 HA SER 25 HA SER 25 -9.391 -5.071 1.330 157 1HB SER 25 1HB SER 25 -6.546 -5.976 1.475 158 2HB SER 25 2HB SER 25 -7.700 -7.204 0.914 159 HG SER 25 HG SER 25 -7.875 -4.545 0.003 160 H LEU 26 H LEU 26 -7.469 -7.402 3.181 161 HA LEU 26 HA LEU 26 -9.874 -8.864 3.791 162 1HB LEU 26 1HB LEU 26 -6.925 -9.294 4.336 163 2HB LEU 26 2HB LEU 26 -8.140 -10.357 5.029 164 HG LEU 26 HG LEU 26 -8.449 -9.839 2.128 165 1HD1 LEU 26 3HD1 LEU 26 -6.058 -11.307 3.286 166 2HD1 LEU 26 1HD1 LEU 26 -6.639 -11.576 1.646 167 3HD1 LEU 26 2HD1 LEU 26 -6.044 -9.988 2.119 168 1HD2 LEU 26 2HD2 LEU 26 -9.710 -11.489 3.681 169 2HD2 LEU 26 3HD2 LEU 26 -9.156 -12.106 2.126 170 3HD2 LEU 26 1HD2 LEU 26 -8.253 -12.474 3.594 171 H ASP 27 H ASP 27 -8.644 -6.200 5.059 172 HA ASP 27 HA ASP 27 -8.679 -5.176 7.174 173 1HB ASP 27 1HB ASP 27 -10.913 -7.220 7.610 174 2HB ASP 27 2HB ASP 27 -10.724 -5.685 8.455 175 H SER 28 H SER 28 -7.411 -8.054 6.766 176 HA SER 28 HA SER 28 -7.359 -9.074 9.464 177 1HB SER 28 1HB SER 28 -5.840 -9.701 6.903 178 2HB SER 28 2HB SER 28 -5.419 -10.494 8.434 179 HG SER 28 HG SER 28 -7.489 -10.985 6.821 180 OH TYR 29 OH TYR 29 -8.368 -4.305 11.046 181 H TYR 29 H TYR 29 -4.739 -9.675 9.948 182 HA TYR 29 HA TYR 29 -3.168 -7.178 9.816 183 1HB TYR 29 1HB TYR 29 -4.061 -8.434 12.437 184 2HB TYR 29 2HB TYR 29 -3.008 -7.027 12.289 185 HD1 TYR 29 HD2 TYR 29 -3.907 -5.077 10.939 186 HD2 TYR 29 HD1 TYR 29 -6.415 -8.094 12.527 187 HE1 TYR 29 HE2 TYR 29 -5.863 -3.661 10.597 188 HE2 TYR 29 HE1 TYR 29 -8.387 -6.726 12.068 189 HH TYR 29 HH TYR 29 -9.142 -4.875 11.033 190 H THR 30 H THR 30 -0.973 -7.450 10.520 191 HA THR 30 HA THR 30 -0.160 -10.067 11.486 192 HB THR 30 HB THR 30 -0.490 -10.770 9.150 193 HG1 THR 30 HG1 THR 30 1.410 -11.488 10.070 194 1HG2 THR 30 2HG2 THR 30 0.471 -8.056 8.651 195 2HG2 THR 30 3HG2 THR 30 1.504 -9.207 7.814 196 3HG2 THR 30 1HG2 THR 30 -0.226 -9.174 7.488 197 H CYS 31 H CYS 31 1.864 -10.263 12.030 198 HA CYS 31 HA CYS 31 3.300 -7.810 12.649 199 1HB CYS 31 1HB CYS 31 3.379 -10.682 13.331 200 2HB CYS 31 2HB CYS 31 4.954 -9.941 13.267 201 H ASN 32 H ASN 32 5.394 -7.341 12.108 202 HA ASN 32 HA ASN 32 6.608 -8.831 9.843 203 1HB ASN 32 1HB ASN 32 5.558 -6.947 8.732 204 2HB ASN 32 2HB ASN 32 6.025 -5.844 10.017 205 1HD2 ASN 32 2HD2 ASN 32 8.960 -7.118 7.418 206 2HD2 ASN 32 1HD2 ASN 32 7.661 -8.151 7.772 207 H CYS 33 H CYS 33 7.826 -9.633 11.643 208 HA CYS 33 HA CYS 33 9.355 -8.006 13.376 209 1HB CYS 33 1HB CYS 33 10.350 -10.667 12.370 210 2HB CYS 33 2HB CYS 33 10.461 -9.994 13.978 211 H VAL 34 H VAL 34 12.010 -9.193 12.844 212 HA VAL 34 HA VAL 34 12.843 -8.117 10.273 213 HB VAL 34 HB VAL 34 14.364 -6.637 12.305 214 1HG1 VAL 34 1HG1 VAL 34 14.465 -6.255 9.883 215 2HG1 VAL 34 2HG1 VAL 34 12.770 -5.798 9.875 216 3HG1 VAL 34 3HG1 VAL 34 13.944 -4.798 10.725 217 1HG2 VAL 34 2HG2 VAL 34 11.893 -6.595 13.273 218 2HG2 VAL 34 3HG2 VAL 34 12.801 -5.106 13.128 219 3HG2 VAL 34 1HG2 VAL 34 11.592 -5.524 11.916 220 H ILE 35 H ILE 35 15.415 -7.512 10.822 221 HA ILE 35 HA ILE 35 16.666 -10.078 10.894 222 HB ILE 35 HB ILE 35 17.509 -8.315 9.494 223 1HG1 ILE 35 1HG1 ILE 35 19.589 -7.976 11.568 224 2HG1 ILE 35 2HG1 ILE 35 19.164 -9.638 11.189 225 1HG2 ILE 35 1HG2 ILE 35 17.161 -6.740 12.047 226 2HG2 ILE 35 2HG2 ILE 35 18.389 -6.173 10.916 227 3HG2 ILE 35 3HG2 ILE 35 16.716 -6.290 10.411 228 1HD1 ILE 35 1HD1 ILE 35 19.843 -7.551 9.094 229 2HD1 ILE 35 2HD1 ILE 35 21.000 -8.717 9.731 230 3HD1 ILE 35 3HD1 ILE 35 19.598 -9.276 8.827 231 H GLY 36 H GLY 36 15.531 -10.216 13.225 232 1HA GLY 36 1HA GLY 36 17.256 -10.962 15.151 233 2HA GLY 36 2HA GLY 36 17.277 -9.234 15.407 234 OH TYR 37 OH TYR 37 15.018 -4.892 18.068 235 H TYR 37 H TYR 37 14.521 -10.581 14.109 236 HA TYR 37 HA TYR 37 13.119 -10.924 16.645 237 1HB TYR 37 1HB TYR 37 12.331 -8.979 14.480 238 2HB TYR 37 2HB TYR 37 11.446 -9.246 15.967 239 HD1 TYR 37 HD2 TYR 37 13.258 -9.035 18.157 240 HD2 TYR 37 HD1 TYR 37 13.699 -7.123 14.405 241 HE1 TYR 37 HE2 TYR 37 14.350 -7.177 19.207 242 HE2 TYR 37 HE1 TYR 37 14.499 -5.096 15.456 243 HH TYR 37 HH TYR 37 14.622 -4.108 17.675 244 H SER 38 H SER 38 12.027 -12.809 16.423 245 HA SER 38 HA SER 38 10.388 -13.247 14.043 246 1HB SER 38 1HB SER 38 11.972 -15.623 14.075 247 2HB SER 38 2HB SER 38 12.022 -14.345 12.845 248 HG SER 38 HG SER 38 14.012 -14.820 14.179 249 H GLY 39 H GLY 39 9.989 -15.955 14.143 250 1HA GLY 39 1HA GLY 39 9.255 -17.755 15.577 251 2HA GLY 39 2HA GLY 39 9.344 -16.662 16.956 252 H ASP 40 H ASP 40 7.159 -17.147 17.610 253 HA ASP 40 HA ASP 40 4.855 -17.162 16.004 254 1HB ASP 40 1HB ASP 40 4.902 -17.577 18.501 255 2HB ASP 40 2HB ASP 40 5.160 -15.850 18.758 256 NH1 ARG 41 NH2 ARG 41 2.409 -13.565 22.259 257 NH2 ARG 41 NH1 ARG 41 1.468 -11.516 22.639 258 H ARG 41 H ARG 41 4.576 -14.397 18.021 259 HA ARG 41 HA ARG 41 3.968 -12.775 15.713 260 1HB ARG 41 1HB ARG 41 4.763 -11.444 18.319 261 2HB ARG 41 2HB ARG 41 3.384 -11.105 17.278 262 1HG ARG 41 1HG ARG 41 2.402 -13.334 18.038 263 2HG ARG 41 2HG ARG 41 3.694 -13.394 19.240 264 1HD ARG 41 1HD ARG 41 2.141 -10.891 19.173 265 2HD ARG 41 2HD ARG 41 1.254 -12.318 19.679 266 HE ARG 41 HE ARG 41 3.736 -11.432 21.025 267 1HH1 ARG 41 1HH2 ARG 41 3.017 -14.137 21.709 268 2HH1 ARG 41 2HH2 ARG 41 1.936 -13.952 23.049 269 1HH2 ARG 41 1HH1 ARG 41 1.376 -10.557 22.373 270 2HH2 ARG 41 2HH1 ARG 41 0.969 -11.865 23.431 271 H CYS 42 H CYS 42 6.457 -12.381 18.182 272 HA CYS 42 HA CYS 42 8.725 -12.447 16.482 273 1HB CYS 42 1HB CYS 42 7.918 -9.661 17.362 274 2HB CYS 42 2HB CYS 42 9.372 -10.084 16.498 275 H GLN 43 H GLN 43 7.704 -13.208 19.109 276 HA GLN 43 HA GLN 43 8.959 -11.706 21.193 277 1HB GLN 43 1HB GLN 43 8.936 -14.381 22.053 278 2HB GLN 43 2HB GLN 43 7.675 -13.193 22.327 279 1HG GLN 43 1HG GLN 43 6.784 -15.267 21.279 280 2HG GLN 43 2HG GLN 43 6.550 -13.866 20.241 281 1HE2 GLN 43 2HE2 GLN 43 8.226 -15.458 17.616 282 2HE2 GLN 43 1HE2 GLN 43 6.950 -14.467 18.132 283 H THR 44 H THR 44 10.404 -13.601 18.773 284 HA THR 44 HA THR 44 12.608 -14.457 20.463 285 HB THR 44 HB THR 44 12.387 -14.614 17.419 286 HG1 THR 44 HG1 THR 44 11.534 -16.223 19.600 287 1HG2 THR 44 2HG2 THR 44 14.472 -15.285 19.245 288 2HG2 THR 44 3HG2 THR 44 13.633 -16.802 18.942 289 3HG2 THR 44 1HG2 THR 44 14.320 -15.891 17.601 290 NH1 ARG 45 NH2 ARG 45 15.776 -9.124 24.731 291 NH2 ARG 45 NH1 ARG 45 16.618 -7.122 24.015 292 H ARG 45 H ARG 45 13.469 -12.496 21.183 293 HA ARG 45 HA ARG 45 14.718 -10.677 19.185 294 1HB ARG 45 1HB ARG 45 13.385 -9.719 21.034 295 2HB ARG 45 2HB ARG 45 14.353 -10.592 22.219 296 1HG ARG 45 1HG ARG 45 16.239 -9.311 21.827 297 2HG ARG 45 2HG ARG 45 15.725 -8.856 20.214 298 1HD ARG 45 1HD ARG 45 15.447 -6.890 21.574 299 2HD ARG 45 2HD ARG 45 13.833 -7.541 21.347 300 HE ARG 45 HE ARG 45 13.744 -7.813 23.675 301 1HH1 ARG 45 1HH2 ARG 45 15.040 -9.800 24.704 302 2HH1 ARG 45 2HH2 ARG 45 16.577 -9.280 25.309 303 1HH2 ARG 45 1HH1 ARG 45 16.513 -6.302 23.451 304 2HH2 ARG 45 2HH1 ARG 45 17.437 -7.241 24.576 305 H ASP 46 H ASP 46 16.374 -12.349 18.644 306 HA ASP 46 HA ASP 46 18.200 -13.130 20.851 307 1HB ASP 46 1HB ASP 46 17.457 -14.230 18.280 308 2HB ASP 46 2HB ASP 46 19.200 -14.016 18.316 309 H LEU 47 H LEU 47 20.605 -13.023 20.384 310 HA LEU 47 HA LEU 47 21.368 -10.270 20.063 311 1HB LEU 47 1HB LEU 47 23.741 -11.296 20.053 312 2HB LEU 47 2HB LEU 47 22.749 -11.698 21.451 313 HG LEU 47 HG LEU 47 22.266 -13.583 19.302 314 1HD1 LEU 47 2HD1 LEU 47 25.131 -13.237 20.240 315 2HD1 LEU 47 3HD1 LEU 47 24.526 -14.658 19.390 316 3HD1 LEU 47 1HD1 LEU 47 24.543 -13.092 18.583 317 1HD2 LEU 47 1HD2 LEU 47 23.471 -13.862 22.077 318 2HD2 LEU 47 2HD2 LEU 47 21.753 -13.960 21.696 319 3HD2 LEU 47 3HD2 LEU 47 22.863 -15.188 21.098 320 NH1 ARG 48 NH2 ARG 48 18.205 -15.547 14.199 321 NH2 ARG 48 NH1 ARG 48 18.644 -16.375 16.283 322 H ARG 48 H ARG 48 20.349 -9.909 17.948 323 HA ARG 48 HA ARG 48 22.262 -10.407 15.836 324 1HB ARG 48 1HB ARG 48 19.650 -10.598 14.670 325 2HB ARG 48 2HB ARG 48 20.887 -11.829 14.730 326 1HG ARG 48 1HG ARG 48 20.108 -12.421 17.054 327 2HG ARG 48 2HG ARG 48 18.794 -11.277 16.871 328 1HD ARG 48 1HD ARG 48 17.681 -13.116 16.040 329 2HD ARG 48 2HD ARG 48 18.562 -12.752 14.558 330 HE ARG 48 HE ARG 48 20.313 -14.363 15.967 331 1HH1 ARG 48 1HH2 ARG 48 18.293 -14.803 13.536 332 2HH1 ARG 48 2HH2 ARG 48 17.711 -16.382 13.953 333 1HH2 ARG 48 1HH1 ARG 48 19.062 -16.253 17.182 334 2HH2 ARG 48 2HH1 ARG 48 18.158 -17.223 16.069 335 CH2 TRP 49 CH2 TRP 49 16.751 -2.796 12.140 336 H TRP 49 H TRP 49 19.127 -9.088 15.369 337 HA TRP 49 HA TRP 49 19.677 -6.927 13.892 338 1HB TRP 49 1HB TRP 49 17.353 -7.167 14.445 339 2HB TRP 49 2HB TRP 49 17.705 -7.164 16.159 340 HD1 TRP 49 HD1 TRP 49 17.129 -4.745 17.293 341 HE1 TRP 49 HE1 TRP 49 15.604 -3.170 16.149 342 HE3 TRP 49 HE3 TRP 49 18.995 -5.159 12.894 343 HZ2 TRP 49 HZ2 TRP 49 15.249 -2.159 13.501 344 HZ3 TRP 49 HZ3 TRP 49 18.239 -3.790 10.975 345 HH2 TRP 49 HH2 TRP 49 16.458 -2.126 11.345 346 CH2 TRP 50 CH2 TRP 50 20.359 -8.978 22.038 347 H TRP 50 H TRP 50 18.853 -6.216 17.050 348 HA TRP 50 HA TRP 50 20.141 -3.787 17.172 349 1HB TRP 50 1HB TRP 50 20.096 -4.356 19.801 350 2HB TRP 50 2HB TRP 50 18.598 -4.090 18.936 351 HD1 TRP 50 HD1 TRP 50 17.131 -6.407 18.253 352 HE1 TRP 50 HE1 TRP 50 17.282 -8.693 19.214 353 HE3 TRP 50 HE3 TRP 50 21.206 -5.850 21.125 354 HZ2 TRP 50 HZ2 TRP 50 18.789 -10.124 21.154 355 HZ3 TRP 50 HZ3 TRP 50 21.866 -7.619 22.692 356 HH2 TRP 50 HH2 TRP 50 20.650 -9.758 22.727 357 H GLU 51 H GLU 51 22.156 -3.786 16.502 358 HA GLU 51 HA GLU 51 24.226 -5.537 17.030 359 1HB GLU 51 1HB GLU 51 24.433 -2.515 16.734 360 2HB GLU 51 2HB GLU 51 25.713 -3.674 16.384 361 1HG GLU 51 1HG GLU 51 24.891 -3.614 14.252 362 2HG GLU 51 2HG GLU 51 23.633 -4.674 14.883 363 H LEU 52 H LEU 52 24.957 -6.185 18.971 364 HA LEU 52 HA LEU 52 24.603 -4.838 21.383 365 1HB LEU 52 1HB LEU 52 26.434 -7.017 20.407 366 2HB LEU 52 2HB LEU 52 26.822 -6.284 21.953 367 HG LEU 52 HG LEU 52 24.266 -6.741 22.488 368 1HD1 LEU 52 3HD1 LEU 52 23.741 -7.484 20.163 369 2HD1 LEU 52 1HD1 LEU 52 24.882 -8.810 20.350 370 3HD1 LEU 52 2HD1 LEU 52 23.432 -8.749 21.346 371 1HD2 LEU 52 3HD2 LEU 52 26.431 -8.852 22.365 372 2HD2 LEU 52 1HD2 LEU 52 26.088 -7.772 23.711 373 3HD2 LEU 52 2HD2 LEU 52 24.935 -9.029 23.276 374 NH1 ARG 53 NH2 ARG 53 31.316 0.194 25.415 375 NH2 ARG 53 NH1 ARG 53 30.917 -0.723 27.469 376 H ARG 53 H ARG 53 26.556 -4.220 22.816 377 HA ARG 53 HA ARG 53 27.781 -2.178 23.142 378 1HB ARG 53 1HB ARG 53 29.244 -4.509 22.104 379 2HB ARG 53 2HB ARG 53 30.112 -3.008 21.792 380 1HG ARG 53 1HG ARG 53 28.945 -3.603 24.525 381 2HG ARG 53 2HG ARG 53 30.537 -4.187 24.064 382 1HD ARG 53 1HD ARG 53 31.462 -2.065 24.019 383 2HD ARG 53 2HD ARG 53 29.944 -1.302 23.545 384 HE ARG 53 HE ARG 53 29.448 -2.196 26.119 385 1HH1 ARG 53 1HH2 ARG 53 31.206 0.148 24.421 386 2HH1 ARG 53 ARG 53 31.823 0.949 25.828 387 1HH2 ARG 53 1HH1 ARG 53 30.504 -1.453 28.015 388 2HH2 ARG 53 2HH1 ARG 53 31.428 0.009 27.918 Start of MODEL 6 Raw file had 388 H/Q atoms Start of MODEL 6 1 1H ASN 1 2H ASN 1 -5.331 1.850 2.407 2 2H ASN 1 3H ASN 1 -6.039 3.355 2.058 3 3H ASN 1 1H ASN 1 -5.090 2.569 0.888 4 HA ASN 1 HA ASN 1 -3.395 3.779 1.584 5 1HB ASN 1 1HB ASN 1 -5.479 4.610 3.457 6 2HB ASN 1 2HB ASN 1 -3.914 4.561 4.264 7 1HD2 ASN 1 2HD2 ASN 1 -4.636 7.757 2.148 8 2HD2 ASN 1 1HD2 ASN 1 -5.759 6.803 2.992 9 H SER 2 H SER 2 -4.582 1.104 3.155 10 HA SER 2 HA SER 2 -3.444 -0.629 4.254 11 1HB SER 2 1HB SER 2 -1.439 0.617 2.797 12 2HB SER 2 2HB SER 2 -0.836 0.795 4.457 13 HG SER 2 HG SER 2 -0.493 -1.301 3.222 14 OH TYR 3 OH TYR 3 -8.517 5.908 7.959 15 H TYR 3 H TYR 3 -3.394 2.624 5.312 16 HA TYR 3 HA TYR 3 -3.149 3.582 7.440 17 1HB TYR 3 1HB TYR 3 -4.745 1.078 7.671 18 2HB TYR 3 2HB TYR 3 -4.171 1.775 9.184 19 HD1 TYR 3 HD1 TYR 3 -4.432 4.461 9.262 20 HD2 TYR 3 HD2 TYR 3 -6.801 1.860 6.879 21 HE1 TYR 3 HE1 TYR 3 -6.209 6.148 9.189 22 HE2 TYR 3 HE2 TYR 3 -8.592 3.536 6.824 23 HH TYR 3 HH TYR 3 -9.300 5.499 7.586 24 HA PRO 4 HA PRO 4 0.703 1.303 8.489 25 1HB PRO 4 1HB PRO 4 1.573 3.714 9.874 26 2HB PRO 4 2HB PRO 4 2.269 2.976 8.433 27 1HG PRO 4 1HG PRO 4 0.752 5.393 8.551 28 2HG PRO 4 2HG PRO 4 1.292 4.561 7.093 29 1HD PRO 4 2HD PRO 4 -1.398 4.726 8.202 30 2HD PRO 4 1HD PRO 4 -0.897 4.038 6.645 31 H GLY 5 H GLY 5 -0.100 -0.030 10.003 32 1HA GLY 5 1HA GLY 5 0.356 -0.074 12.601 33 2HA GLY 5 2HA GLY 5 -0.956 1.101 12.616 34 H CYS 6 H CYS 6 -2.283 -0.301 13.839 35 HA CYS 6 HA CYS 6 -3.813 -2.133 12.223 36 1HB CYS 6 1HB CYS 6 -2.314 -3.212 14.651 37 2HB CYS 6 2HB CYS 6 -3.306 -4.155 13.572 38 HA PRO 7 HA PRO 7 -7.207 -0.880 14.783 39 1HB PRO 7 1HB PRO 7 -7.488 -3.803 15.489 40 2HB PRO 7 2HB PRO 7 -8.718 -2.688 14.867 41 1HG PRO 7 1HG PRO 7 -7.326 -4.597 13.339 42 2HG PRO 7 2HG PRO 7 -8.178 -3.197 12.672 43 1HD PRO 7 2HD PRO 7 -5.336 -3.682 12.738 44 2HD PRO 7 1HD PRO 7 -6.170 -2.270 12.055 45 H SER 8 H SER 8 -6.969 0.035 16.758 46 HA SER 8 HA SER 8 -4.948 -0.447 18.581 47 1HB SER 8 1HB SER 8 -7.785 0.268 19.447 48 2HB SER 8 2HB SER 8 -6.259 0.745 20.226 49 HG SER 8 HG SER 8 -7.493 2.050 18.348 50 H SER 9 H SER 9 -7.814 -2.348 18.108 51 HA SER 9 HA SER 9 -8.083 -3.716 20.524 52 1HB SER 9 1HB SER 9 -8.128 -4.805 17.654 53 2HB SER 9 2HB SER 9 -8.676 -5.744 19.056 54 HG SER 9 HG SER 9 -10.018 -3.897 17.743 55 OH TYR 10 OH TYR 10 -5.019 -8.945 14.476 56 H TYR 10 H TYR 10 -5.446 -3.550 18.461 57 HA TYR 10 HA TYR 10 -4.093 -5.943 19.414 58 1HB TYR 10 1HB TYR 10 -3.591 -3.751 17.396 59 2HB TYR 10 2HB TYR 10 -2.247 -4.761 17.920 60 HD1 TYR 10 HD2 TYR 10 -2.727 -7.264 17.968 61 HD2 TYR 10 HD1 TYR 10 -4.982 -4.566 15.641 62 HE1 TYR 10 HE2 TYR 10 -3.347 -9.112 16.527 63 HE2 TYR 10 HE1 TYR 10 -5.726 -6.393 14.215 64 HH TYR 10 HH TYR 10 -4.241 -9.426 14.185 65 H ASP 11 H ASP 11 -2.614 -2.873 18.826 66 HA ASP 11 HA ASP 11 -0.814 -1.922 20.027 67 1HB ASP 11 1HB ASP 11 -3.349 -1.141 20.522 68 2HB ASP 11 2HB ASP 11 -2.851 -1.560 22.164 69 H GLY 12 H GLY 12 -0.987 -4.825 20.666 70 1HA GLY 12 1HA GLY 12 0.731 -4.743 22.982 71 2HA GLY 12 2HA GLY 12 -0.863 -5.310 23.432 72 OH TYR 13 OH TYR 13 0.793 -12.111 15.192 73 H TYR 13 H TYR 13 -0.479 -6.485 20.330 74 HA TYR 13 HA TYR 13 0.479 -9.053 21.488 75 1HB TYR 13 1HB TYR 13 -1.356 -9.770 20.353 76 2HB TYR 13 2HB TYR 13 -1.447 -8.316 19.394 77 HD1 TYR 13 HD1 TYR 13 0.666 -11.440 19.660 78 HD2 TYR 13 HD2 TYR 13 -0.974 -8.436 17.130 79 HE1 TYR 13 HE1 TYR 13 1.239 -12.768 17.691 80 HE2 TYR 13 HE2 TYR 13 -0.450 -9.798 15.173 81 HH TYR 13 HH TYR 13 0.976 -11.505 14.471 82 H CYS 14 H CYS 14 1.499 -6.620 19.188 83 HA CYS 14 HA CYS 14 3.380 -8.451 17.896 84 1HB CYS 14 1HB CYS 14 2.664 -5.596 17.715 85 2HB CYS 14 2HB CYS 14 4.387 -5.844 17.580 86 H LEU 15 H LEU 15 5.312 -9.022 18.529 87 HA LEU 15 HA LEU 15 6.423 -7.850 20.994 88 1HB LEU 15 1HB LEU 15 6.296 -10.465 19.681 89 2HB LEU 15 2HB LEU 15 7.883 -10.087 20.340 90 HG LEU 15 HG LEU 15 6.881 -9.537 22.484 91 1HD1 LEU 15 1HD1 LEU 15 4.396 -9.793 20.867 92 2HD1 LEU 15 2HD1 LEU 15 4.277 -10.382 22.519 93 3HD1 LEU 15 3HD1 LEU 15 4.741 -8.720 22.218 94 1HD2 LEU 15 3HD2 LEU 15 6.775 -12.145 21.212 95 2HD2 LEU 15 1HD2 LEU 15 7.344 -11.700 22.816 96 3HD2 LEU 15 2HD2 LEU 15 5.648 -12.050 22.554 97 H ASN 16 H ASN 16 8.522 -7.489 21.304 98 HA ASN 16 HA ASN 16 10.445 -6.210 20.665 99 1HB ASN 16 1HB ASN 16 10.714 -8.689 18.999 100 2HB ASN 16 2HB ASN 16 11.981 -7.810 19.858 101 1HD2 ASN 16 2HD2 ASN 16 10.486 -10.770 21.801 102 2HD2 ASN 16 1HD2 ASN 16 10.947 -10.633 20.167 103 H GLY 17 H GLY 17 9.976 -4.420 19.485 104 1HA GLY 17 1HA GLY 17 9.589 -3.108 17.552 105 2HA GLY 17 2HA GLY 17 10.982 -4.014 16.969 106 H GLY 18 H GLY 18 8.065 -5.690 17.767 107 1HA GLY 18 1HA GLY 18 7.864 -6.889 15.187 108 2HA GLY 18 2HA GLY 18 6.604 -6.923 16.418 109 H VAL 19 H VAL 19 7.618 -5.567 13.470 110 HA VAL 19 HA VAL 19 6.029 -3.198 13.540 111 HB VAL 19 HB VAL 19 6.525 -4.753 11.006 112 1HG1 VAL 19 1HG1 VAL 19 5.393 -2.450 11.155 113 2HG1 VAL 19 2HG1 VAL 19 6.979 -1.823 11.592 114 3HG1 VAL 19 3HG1 VAL 19 6.736 -2.589 10.026 115 1HG2 VAL 19 2HG2 VAL 19 8.571 -3.676 12.899 116 2HG2 VAL 19 3HG2 VAL 19 8.689 -5.033 11.784 117 3HG2 VAL 19 1HG2 VAL 19 8.840 -3.386 11.181 118 H CYS 20 H CYS 20 3.925 -3.241 13.828 119 HA CYS 20 HA CYS 20 2.337 -5.588 13.223 120 1HB CYS 20 1HB CYS 20 0.898 -4.586 14.643 121 2HB CYS 20 2HB CYS 20 2.098 -3.335 14.849 122 H MET 21 H MET 21 1.068 -5.975 11.484 123 HA MET 21 HA MET 21 1.029 -3.867 9.362 124 1HB MET 21 1HB MET 21 1.804 -6.683 9.348 125 2HB MET 21 2HB MET 21 0.543 -6.370 8.160 126 1HG MET 21 1HG MET 21 3.054 -4.737 8.480 127 2HG MET 21 2HG MET 21 2.879 -6.035 7.327 128 1HE MET 21 3HE MET 21 1.662 -5.995 5.189 129 2HE MET 21 1HE MET 21 1.886 -4.507 4.271 130 3HE MET 21 2HE MET 21 3.243 -5.212 5.147 131 H HIS 22 H HIS 22 -0.717 -3.783 7.979 132 HA HIS 22 HA HIS 22 -3.218 -5.211 8.612 133 1HB HIS 22 1HB HIS 22 -3.411 -3.453 10.270 134 2HB HIS 22 2HB HIS 22 -2.829 -2.231 9.138 135 HD1 HIS 22 HD1 HIS 22 -5.198 -1.089 9.534 136 HD2 HIS 22 HD2 HIS 22 -5.437 -4.703 7.679 137 HE1 HIS 22 HE1 HIS 22 -7.477 -1.242 8.682 138 H ILE 23 H ILE 23 -3.120 -5.822 6.385 139 HA ILE 23 HA ILE 23 -2.877 -3.803 4.346 140 HB ILE 23 HB ILE 23 -4.125 -6.543 3.978 141 1HG1 ILE 23 1HG1 ILE 23 -1.396 -6.704 3.302 142 2HG1 ILE 23 2HG1 ILE 23 -1.430 -5.927 4.878 143 1HG2 ILE 23 3HG2 ILE 23 -4.111 -4.876 2.088 144 2HG2 ILE 23 1HG2 ILE 23 -2.354 -4.807 2.197 145 3HG2 ILE 23 2HG2 ILE 23 -3.152 -6.302 1.716 146 1HD1 ILE 23 2HD1 ILE 23 -2.919 -7.746 5.714 147 2HD1 ILE 23 3HD1 ILE 23 -2.807 -8.533 4.144 148 3HD1 ILE 23 1HD1 ILE 23 -1.372 -8.369 5.153 149 H GLU 24 H GLU 24 -4.406 -2.442 3.789 150 HA GLU 24 HA GLU 24 -7.048 -2.509 4.851 151 1HB GLU 24 1HB GLU 24 -5.468 -0.836 3.049 152 2HB GLU 24 2HB GLU 24 -7.117 -0.988 2.454 153 1HG GLU 24 1HG GLU 24 -7.940 -0.371 4.754 154 2HG GLU 24 2HG GLU 24 -6.269 -0.080 5.228 155 H SER 25 H SER 25 -8.975 -2.275 3.232 156 HA SER 25 HA SER 25 -10.367 -3.245 1.607 157 1HB SER 25 1HB SER 25 -7.931 -3.336 0.365 158 2HB SER 25 2HB SER 25 -8.226 -5.075 0.563 159 HG SER 25 HG SER 25 -9.345 -3.455 -1.179 160 H LEU 26 H LEU 26 -7.954 -5.652 2.573 161 HA LEU 26 HA LEU 26 -9.979 -7.654 2.907 162 1HB LEU 26 1HB LEU 26 -7.021 -7.651 3.626 163 2HB LEU 26 2HB LEU 26 -8.045 -9.082 3.604 164 HG LEU 26 HG LEU 26 -8.418 -7.746 1.114 165 1HD1 LEU 26 2HD1 LEU 26 -6.258 -6.609 1.610 166 2HD1 LEU 26 3HD1 LEU 26 -5.495 -8.183 1.825 167 3HD1 LEU 26 1HD1 LEU 26 -6.113 -7.712 0.244 168 1HD2 LEU 26 1HD2 LEU 26 -6.893 -10.263 1.867 169 2HD2 LEU 26 2HD2 LEU 26 -8.608 -10.165 1.482 170 3HD2 LEU 26 3HD2 LEU 26 -7.407 -9.851 0.235 171 H ASP 27 H ASP 27 -8.552 -5.257 4.834 172 HA ASP 27 HA ASP 27 -8.717 -4.747 7.113 173 1HB ASP 27 1HB ASP 27 -11.119 -6.624 7.050 174 2HB ASP 27 2HB ASP 27 -10.880 -5.225 8.094 175 H SER 28 H SER 28 -7.325 -7.264 6.218 176 HA SER 28 HA SER 28 -7.734 -9.068 8.451 177 1HB SER 28 1HB SER 28 -6.775 -10.520 6.927 178 2HB SER 28 2HB SER 28 -6.429 -9.154 5.850 179 HG SER 28 HG SER 28 -4.897 -10.098 8.039 180 OH TYR 29 OH TYR 29 -8.827 -4.420 10.472 181 H TYR 29 H TYR 29 -5.450 -9.867 9.456 182 HA TYR 29 HA TYR 29 -3.784 -7.501 10.084 183 1HB TYR 29 1HB TYR 29 -5.297 -9.128 12.167 184 2HB TYR 29 2HB TYR 29 -4.139 -7.842 12.533 185 HD1 TYR 29 HD2 TYR 29 -4.546 -5.586 11.317 186 HD2 TYR 29 HD1 TYR 29 -7.551 -8.539 11.832 187 HE1 TYR 29 HE2 TYR 29 -6.225 -4.004 10.571 188 HE2 TYR 29 HE1 TYR 29 -9.251 -6.935 11.126 189 HH TYR 29 HH TYR 29 -8.487 -3.927 9.722 190 H THR 30 H THR 30 -1.759 -7.933 10.815 191 HA THR 30 HA THR 30 -0.933 -10.546 11.715 192 HB THR 30 HB THR 30 -1.167 -11.081 9.278 193 HG1 THR 30 HG1 THR 30 1.451 -10.956 9.167 194 1HG2 THR 30 2HG2 THR 30 -0.540 -8.482 8.751 195 2HG2 THR 30 3HG2 THR 30 1.090 -9.146 8.707 196 3HG2 THR 30 1HG2 THR 30 -0.139 -9.749 7.599 197 H CYS 31 H CYS 31 1.039 -10.473 12.621 198 HA CYS 31 HA CYS 31 2.302 -7.811 12.749 199 1HB CYS 31 1HB CYS 31 2.381 -10.324 14.369 200 2HB CYS 31 2HB CYS 31 3.824 -9.346 14.393 201 H ASN 32 H ASN 32 4.630 -7.571 12.476 202 HA ASN 32 HA ASN 32 5.826 -9.674 10.708 203 1HB ASN 32 1HB ASN 32 5.004 -7.006 10.011 204 2HB ASN 32 2HB ASN 32 6.760 -7.047 9.957 205 1HD2 ASN 32 2HD2 ASN 32 6.758 -8.713 6.874 206 2HD2 ASN 32 1HD2 ASN 32 7.545 -7.672 7.958 207 H CYS 33 H CYS 33 7.741 -10.336 11.403 208 HA CYS 33 HA CYS 33 9.155 -8.699 13.426 209 1HB CYS 33 1HB CYS 33 10.202 -11.336 12.441 210 2HB CYS 33 2HB CYS 33 10.239 -10.674 14.059 211 H VAL 34 H VAL 34 11.786 -9.958 12.653 212 HA VAL 34 HA VAL 34 12.329 -8.991 9.974 213 HB VAL 34 HB VAL 34 14.011 -7.344 11.661 214 1HG1 VAL 34 1HG1 VAL 34 13.540 -7.067 9.236 215 2HG1 VAL 34 2HG1 VAL 34 11.888 -6.609 9.638 216 3HG1 VAL 34 3HG1 VAL 34 13.233 -5.596 10.154 217 1HG2 VAL 34 2HG2 VAL 34 11.851 -7.432 13.127 218 2HG2 VAL 34 3HG2 VAL 34 12.544 -5.876 12.742 219 3HG2 VAL 34 1HG2 VAL 34 11.145 -6.462 11.851 220 H ILE 35 H ILE 35 14.936 -8.325 10.159 221 HA ILE 35 HA ILE 35 16.219 -10.874 10.318 222 HB ILE 35 HB ILE 35 17.078 -9.458 8.648 223 1HG1 ILE 35 1HG1 ILE 35 18.955 -8.469 10.782 224 2HG1 ILE 35 2HG1 ILE 35 18.976 -10.151 10.250 225 1HG2 ILE 35 1HG2 ILE 35 16.383 -7.316 10.636 226 2HG2 ILE 35 2HG2 ILE 35 17.687 -6.934 9.537 227 3HG2 ILE 35 3HG2 ILE 35 16.103 -7.361 8.907 228 1HD1 ILE 35 1HD1 ILE 35 18.936 -8.191 8.044 229 2HD1 ILE 35 2HD1 ILE 35 20.386 -8.141 9.039 230 3HD1 ILE 35 3HD1 ILE 35 19.916 -9.637 8.246 231 H GLY 36 H GLY 36 15.134 -10.094 12.797 232 1HA GLY 36 1HA GLY 36 17.207 -10.886 14.590 233 2HA GLY 36 2HA GLY 36 17.021 -9.140 14.713 234 OH TYR 37 OH TYR 37 14.570 -4.778 17.306 235 H TYR 37 H TYR 37 14.317 -10.878 13.801 236 HA TYR 37 HA TYR 37 13.245 -11.069 16.503 237 1HB TYR 37 1HB TYR 37 12.051 -9.399 14.291 238 2HB TYR 37 2HB TYR 37 11.325 -9.645 15.864 239 HD1 TYR 37 HD2 TYR 37 12.634 -8.771 17.962 240 HD2 TYR 37 HD1 TYR 37 13.881 -7.755 14.017 241 HE1 TYR 37 HE2 TYR 37 13.550 -6.721 18.737 242 HE2 TYR 37 HE1 TYR 37 14.570 -5.549 14.783 243 HH TYR 37 HH TYR 37 14.257 -4.082 16.724 244 H SER 38 H SER 38 12.285 -12.997 16.659 245 HA SER 38 HA SER 38 10.434 -13.929 14.622 246 1HB SER 38 1HB SER 38 11.712 -15.704 13.660 247 2HB SER 38 2HB SER 38 12.951 -14.449 13.849 248 HG SER 38 HG SER 38 12.931 -16.804 14.973 249 H GLY 39 H GLY 39 10.526 -16.672 15.112 250 1HA GLY 39 1HA GLY 39 10.304 -18.307 16.896 251 2HA GLY 39 2HA GLY 39 10.244 -16.985 18.064 252 H ASP 40 H ASP 40 8.223 -17.481 19.014 253 HA ASP 40 HA ASP 40 5.893 -18.386 17.745 254 1HB ASP 40 1HB ASP 40 6.303 -16.364 20.003 255 2HB ASP 40 2HB ASP 40 4.686 -16.841 19.496 256 NH1 ARG 41 NH2 ARG 41 3.459 -14.145 22.330 257 NH2 ARG 41 NH1 ARG 41 2.681 -12.168 23.181 258 H ARG 41 H ARG 41 5.760 -15.050 18.744 259 HA ARG 41 HA ARG 41 4.660 -14.371 16.074 260 1HB ARG 41 1HB ARG 41 5.086 -12.115 17.986 261 2HB ARG 41 2HB ARG 41 3.627 -12.557 17.125 262 1HG ARG 41 1HG ARG 41 2.857 -13.925 18.857 263 2HG ARG 41 2HG ARG 41 4.472 -14.186 19.518 264 1HD ARG 41 1HD ARG 41 4.558 -12.087 20.499 265 2HD ARG 41 2HD ARG 41 3.363 -11.415 19.401 266 HE ARG 41 HE ARG 41 1.624 -12.507 20.728 267 1HH1 ARG 41 1HH2 ARG 41 3.617 -14.732 21.536 268 2HH1 ARG 41 2HH2 ARG 41 3.724 -14.457 23.243 269 1HH2 ARG 41 1HH1 ARG 41 2.258 -11.276 23.024 270 2HH2 ARG 41 2HH1 ARG 41 2.936 -12.445 24.106 271 H CYS 42 H CYS 42 6.868 -13.001 18.394 272 HA CYS 42 HA CYS 42 9.196 -12.989 16.778 273 1HB CYS 42 1HB CYS 42 8.102 -10.238 17.300 274 2HB CYS 42 2HB CYS 42 9.408 -10.696 16.247 275 H GLN 43 H GLN 43 8.339 -13.710 19.347 276 HA GLN 43 HA GLN 43 9.079 -11.781 21.335 277 1HB GLN 43 1HB GLN 43 8.705 -13.514 22.879 278 2HB GLN 43 2HB GLN 43 7.811 -14.154 21.508 279 1HG GLN 43 1HG GLN 43 10.023 -15.325 20.850 280 2HG GLN 43 2HG GLN 43 10.571 -14.933 22.478 281 1HE2 GLN 43 2HE2 GLN 43 7.740 -17.825 21.963 282 2HE2 GLN 43 1HE2 GLN 43 8.193 -16.837 20.659 283 H THR 44 H THR 44 10.966 -13.861 19.325 284 HA THR 44 HA THR 44 13.255 -13.726 21.114 285 HB THR 44 HB THR 44 13.470 -14.780 18.295 286 HG1 THR 44 HG1 THR 44 12.088 -16.350 18.776 287 1HG2 THR 44 2HG2 THR 44 15.226 -14.955 20.308 288 2HG2 THR 44 3HG2 THR 44 14.105 -16.161 20.934 289 3HG2 THR 44 1HG2 THR 44 14.881 -16.403 19.372 290 NH1 ARG 45 NH1 ARG 45 14.758 -4.560 22.325 291 NH2 ARG 45 NH2 ARG 45 16.122 -5.388 23.964 292 H ARG 45 H ARG 45 14.015 -11.658 21.212 293 HA ARG 45 HA ARG 45 14.609 -10.121 18.774 294 1HB ARG 45 1HB ARG 45 13.757 -9.149 20.953 295 2HB ARG 45 2HB ARG 45 15.253 -9.655 21.731 296 1HG ARG 45 1HG ARG 45 16.547 -8.146 20.553 297 2HG ARG 45 2HG ARG 45 15.415 -8.042 19.221 298 1HD ARG 45 1HD ARG 45 15.141 -5.977 20.354 299 2HD ARG 45 2HD ARG 45 13.799 -6.950 20.943 300 HE ARG 45 HE ARG 45 15.687 -7.509 22.809 301 1HH1 ARG 45 1HH1 ARG 45 14.235 -4.718 21.487 302 2HH1 ARG 45 2HH1 ARG 45 14.775 -3.652 22.739 303 1HH2 ARG 45 1HH2 ARG 45 16.617 -6.164 24.353 304 2HH2 ARG 45 2HH2 ARG 45 16.163 -4.495 24.411 305 H ASP 46 H ASP 46 16.219 -11.442 17.815 306 HA ASP 46 HA ASP 46 18.310 -12.885 18.897 307 1HB ASP 46 1HB ASP 46 18.549 -11.101 16.451 308 2HB ASP 46 2HB ASP 46 19.470 -12.569 16.771 309 H LEU 47 H LEU 47 20.696 -12.059 17.997 310 HA LEU 47 HA LEU 47 21.437 -9.811 19.851 311 1HB LEU 47 1HB LEU 47 23.311 -11.976 18.826 312 2HB LEU 47 2HB LEU 47 23.478 -10.998 20.274 313 HG LEU 47 HG LEU 47 21.341 -13.128 19.851 314 1HD1 LEU 47 2HD1 LEU 47 23.989 -13.109 21.309 315 2HD1 LEU 47 3HD1 LEU 47 22.710 -14.249 21.717 316 3HD1 LEU 47 1HD1 LEU 47 23.421 -14.262 20.105 317 1HD2 LEU 47 3HD2 LEU 47 22.121 -11.460 22.268 318 2HD2 LEU 47 1HD2 LEU 47 20.610 -11.334 21.373 319 3HD2 LEU 47 2HD2 LEU 47 20.967 -12.787 22.296 320 NH1 ARG 48 NH2 ARG 48 21.194 -11.387 10.618 321 NH2 ARG 48 NH1 ARG 48 23.323 -12.195 10.798 322 H ARG 48 H ARG 48 20.748 -9.581 16.859 323 HA ARG 48 HA ARG 48 23.278 -8.371 16.057 324 1HB ARG 48 1HB ARG 48 22.094 -9.076 13.663 325 2HB ARG 48 2HB ARG 48 23.391 -9.960 14.451 326 1HG ARG 48 1HG ARG 48 21.823 -11.391 15.608 327 2HG ARG 48 2HG ARG 48 20.460 -10.415 15.076 328 1HD ARG 48 1HD ARG 48 21.523 -12.667 13.759 329 2HD ARG 48 2HD ARG 48 20.344 -11.534 13.104 330 HE ARG 48 HE ARG 48 23.043 -10.523 12.803 331 1HH1 ARG 48 1HH2 ARG 48 20.423 -10.909 11.036 332 2HH1 ARG 48 2HH2 ARG 48 21.132 -11.705 9.673 333 1HH2 ARG 48 1HH1 ARG 48 24.146 -12.326 11.351 334 2HH2 ARG 48 2HH1 ARG 48 23.298 -12.522 9.853 335 CH2 TRP 49 CH2 TRP 49 16.499 -2.284 12.101 336 H TRP 49 H TRP 49 20.310 -8.451 14.359 337 HA TRP 49 HA TRP 49 20.066 -6.193 13.060 338 1HB TRP 49 1HB TRP 49 18.345 -7.954 13.422 339 2HB TRP 49 2HB TRP 49 17.842 -7.152 14.873 340 HD1 TRP 49 HD1 TRP 49 15.785 -7.708 13.094 341 HE1 TRP 49 HE1 TRP 49 14.350 -5.730 12.655 342 HE3 TRP 49 HE3 TRP 49 19.282 -4.056 12.730 343 HZ2 TRP 49 HZ2 TRP 49 14.528 -3.110 12.134 344 HZ3 TRP 49 HZ3 TRP 49 18.567 -1.775 12.215 345 HH2 TRP 49 HH2 TRP 49 16.185 -1.289 11.828 346 CH2 TRP 50 CH2 TRP 50 21.034 -7.134 19.325 347 H TRP 50 H TRP 50 17.693 -5.263 14.945 348 HA TRP 50 HA TRP 50 17.617 -2.756 15.411 349 1HB TRP 50 1HB TRP 50 18.120 -3.082 18.095 350 2HB TRP 50 2HB TRP 50 16.604 -3.518 17.316 351 HD1 TRP 50 HD1 TRP 50 16.492 -6.025 16.280 352 HE1 TRP 50 HE1 TRP 50 17.687 -8.102 17.015 353 HE3 TRP 50 HE3 TRP 50 19.947 -3.965 19.211 354 HZ2 TRP 50 HZ2 TRP 50 20.080 -8.752 18.366 355 HZ3 TRP 50 HZ3 TRP 50 21.766 -5.360 20.150 356 HH2 TRP 50 HH2 TRP 50 21.854 -7.709 19.711 357 H GLU 51 H GLU 51 19.373 -1.835 14.421 358 HA GLU 51 HA GLU 51 21.970 -1.817 15.534 359 1HB GLU 51 1HB GLU 51 20.582 0.003 13.550 360 2HB GLU 51 2HB GLU 51 22.295 0.134 13.934 361 1HG GLU 51 1HG GLU 51 21.245 -2.577 13.231 362 2HG GLU 51 2HG GLU 51 21.426 -1.415 11.918 363 H LEU 52 H LEU 52 23.101 -0.035 16.414 364 HA LEU 52 HA LEU 52 22.075 1.088 18.672 365 1HB LEU 52 1HB LEU 52 24.172 2.125 16.735 366 2HB LEU 52 2HB LEU 52 23.871 2.913 18.280 367 HG LEU 52 HG LEU 52 24.234 -0.042 18.357 368 1HD1 LEU 52 1HD1 LEU 52 26.395 1.925 17.590 369 2HD1 LEU 52 2HD1 LEU 52 26.784 0.444 18.462 370 3HD1 LEU 52 3HD1 LEU 52 26.036 0.357 16.871 371 1HD2 LEU 52 2HD2 LEU 52 23.888 1.667 20.301 372 2HD2 LEU 52 3HD2 LEU 52 25.136 0.437 20.490 373 3HD2 LEU 52 1HD2 LEU 52 25.578 2.080 20.032 374 NH1 ARG 53 NH1 ARG 53 24.523 6.397 19.508 375 NH2 ARG 53 NH2 ARG 53 24.873 8.457 18.579 376 H ARG 53 H ARG 53 20.826 2.772 19.213 377 HA ARG 53 HA ARG 53 19.303 4.516 18.996 378 1HB ARG 53 1HB ARG 53 21.520 5.185 17.084 379 2HB ARG 53 2HB ARG 53 20.028 6.094 16.904 380 1HG ARG 53 1HG ARG 53 20.103 6.703 19.298 381 2HG ARG 53 2HG ARG 53 21.583 5.773 19.495 382 1HD ARG 53 1HD ARG 53 22.309 7.349 17.402 383 2HD ARG 53 2HD ARG 53 21.169 8.423 18.208 384 HE ARG 53 HE ARG 53 22.586 8.318 20.209 385 1HH1 ARG 53 1HH1 ARG 53 23.898 5.751 19.945 386 2HH1 ARG 53 2HH1 ARG 53 25.475 6.140 19.345 387 1HH2 ARG 53 1HH2 ARG 53 24.513 9.354 18.320 388 2HH2 ARG 53 ARG 53 25.833 8.235 18.404 Start of MODEL 7 Raw file had 388 H/Q atoms Start of MODEL 7 1 1H ASN 1 2H ASN 1 -5.302 2.614 1.402 2 2H ASN 1 3H ASN 1 -6.007 4.131 1.114 3 3H ASN 1 1H ASN 1 -4.440 3.803 0.548 4 HA ASN 1 HA ASN 1 -3.797 4.886 2.372 5 1HB ASN 1 1HB ASN 1 -6.607 4.263 3.214 6 2HB ASN 1 2HB ASN 1 -5.447 4.568 4.505 7 1HD2 ASN 1 2HD2 ASN 1 -6.674 7.619 2.101 8 2HD2 ASN 1 1HD2 ASN 1 -7.151 6.020 1.789 9 H SER 2 H SER 2 -5.106 1.682 2.505 10 HA SER 2 HA SER 2 -4.404 -0.240 3.623 11 1HB SER 2 1HB SER 2 -2.332 -0.066 2.418 12 2HB SER 2 2HB SER 2 -1.829 1.373 3.326 13 HG SER 2 HG SER 2 -1.624 0.133 5.158 14 OH TYR 3 OH TYR 3 -9.959 5.272 8.265 15 H TYR 3 H TYR 3 -4.824 2.545 5.136 16 HA TYR 3 HA TYR 3 -4.631 3.323 7.344 17 1HB TYR 3 1HB TYR 3 -5.986 0.721 7.164 18 2HB TYR 3 2HB TYR 3 -5.460 1.142 8.794 19 HD1 TYR 3 HD1 TYR 3 -6.077 3.431 9.704 20 HD2 TYR 3 HD2 TYR 3 -7.845 1.855 6.172 21 HE1 TYR 3 HE1 TYR 3 -7.927 5.030 9.918 22 HE2 TYR 3 HE2 TYR 3 -9.679 3.477 6.367 23 HH TYR 3 HH TYR 3 -9.588 6.153 8.179 24 HA PRO 4 HA PRO 4 -0.612 1.501 8.592 25 1HB PRO 4 1HB PRO 4 0.120 3.892 9.966 26 2HB PRO 4 2HB PRO 4 0.664 3.407 8.359 27 1HG PRO 4 1HG PRO 4 -1.195 5.534 9.067 28 2HG PRO 4 2HG PRO 4 -0.546 5.139 7.475 29 1HD PRO 4 2HD PRO 4 -3.200 4.619 8.503 30 2HD PRO 4 1HD PRO 4 -2.565 4.249 6.885 31 H GLY 5 H GLY 5 -0.987 0.136 10.243 32 1HA GLY 5 1HA GLY 5 -0.643 0.133 12.792 33 2HA GLY 5 2HA GLY 5 -1.996 1.259 12.832 34 H CYS 6 H CYS 6 -3.066 -0.348 14.191 35 HA CYS 6 HA CYS 6 -4.623 -2.200 12.580 36 1HB CYS 6 1HB CYS 6 -4.082 -3.944 14.524 37 2HB CYS 6 2HB CYS 6 -2.988 -3.774 13.176 38 HA PRO 7 HA PRO 7 -7.953 -1.071 15.218 39 1HB PRO 7 1HB PRO 7 -8.288 -3.910 16.062 40 2HB PRO 7 2HB PRO 7 -9.433 -2.873 15.211 41 1HG PRO 7 1HG PRO 7 -7.849 -4.962 14.049 42 2HG PRO 7 2HG PRO 7 -8.800 -3.747 13.185 43 1HD PRO 7 2HD PRO 7 -5.942 -3.958 13.336 44 2HD PRO 7 1HD PRO 7 -6.878 -2.713 12.480 45 H SER 8 H SER 8 -8.426 -0.920 17.583 46 HA SER 8 HA SER 8 -6.019 -0.869 19.126 47 1HB SER 8 1HB SER 8 -7.562 -0.591 21.115 48 2HB SER 8 2HB SER 8 -7.979 0.511 19.784 49 HG SER 8 HG SER 8 -9.037 -2.064 19.704 50 H SER 9 H SER 9 -8.301 -3.392 18.500 51 HA SER 9 HA SER 9 -8.022 -5.079 20.702 52 1HB SER 9 1HB SER 9 -9.260 -6.258 19.121 53 2HB SER 9 2HB SER 9 -8.429 -5.464 17.772 54 HG SER 9 HG SER 9 -7.931 -7.773 18.172 55 OH TYR 10 OH TYR 10 -5.194 -8.703 14.440 56 H TYR 10 H TYR 10 -5.663 -3.976 18.567 57 HA TYR 10 HA TYR 10 -3.725 -6.059 19.156 58 1HB TYR 10 1HB TYR 10 -3.765 -3.529 17.484 59 2HB TYR 10 2HB TYR 10 -2.275 -4.444 17.722 60 HD1 TYR 10 HD1 TYR 10 -5.794 -4.753 16.545 61 HD2 TYR 10 HD2 TYR 10 -1.926 -6.415 16.543 62 HE1 TYR 10 HE1 TYR 10 -6.578 -6.570 15.135 63 HE2 TYR 10 HE2 TYR 10 -2.689 -8.326 15.266 64 HH TYR 10 HH TYR 10 -5.262 -9.428 15.068 65 H ASP 11 H ASP 11 -3.255 -2.583 19.170 66 HA ASP 11 HA ASP 11 -1.712 -1.375 20.483 67 1HB ASP 11 1HB ASP 11 -4.209 -1.581 21.346 68 2HB ASP 11 2HB ASP 11 -3.440 -2.409 22.708 69 H GLY 12 H GLY 12 -0.931 -4.305 20.279 70 1HA GLY 12 1HA GLY 12 1.337 -4.353 21.829 71 2HA GLY 12 2HA GLY 12 0.105 -4.868 22.965 72 OH TYR 13 OH TYR 13 0.899 -11.435 14.295 73 H TYR 13 H TYR 13 0.059 -5.839 19.539 74 HA TYR 13 HA TYR 13 0.490 -8.644 20.513 75 1HB TYR 13 1HB TYR 13 -1.464 -8.882 19.310 76 2HB TYR 13 2HB TYR 13 -1.190 -7.426 18.375 77 HD1 TYR 13 HD1 TYR 13 -0.241 -11.018 18.651 78 HD2 TYR 13 HD2 TYR 13 -0.044 -7.498 16.292 79 HE1 TYR 13 HE1 TYR 13 0.485 -12.339 16.745 80 HE2 TYR 13 HE2 TYR 13 0.455 -8.843 14.320 81 HH TYR 13 HH TYR 13 0.768 -10.894 13.509 82 H CYS 14 H CYS 14 2.176 -6.214 19.153 83 HA CYS 14 HA CYS 14 3.881 -8.020 17.495 84 1HB CYS 14 1HB CYS 14 3.177 -5.141 17.484 85 2HB CYS 14 2HB CYS 14 4.877 -5.443 17.254 86 H LEU 15 H LEU 15 5.606 -8.866 18.545 87 HA LEU 15 HA LEU 15 6.647 -7.581 20.977 88 1HB LEU 15 1HB LEU 15 6.716 -10.211 19.682 89 2HB LEU 15 2HB LEU 15 8.291 -9.713 20.258 90 HG LEU 15 HG LEU 15 6.962 -11.053 21.882 91 1HD1 LEU 15 2HD1 LEU 15 8.809 -9.609 22.621 92 2HD1 LEU 15 3HD1 LEU 15 7.692 -8.269 22.821 93 3HD1 LEU 15 1HD1 LEU 15 7.539 -9.697 23.833 94 1HD2 LEU 15 3HD2 LEU 15 4.881 -9.486 21.172 95 2HD2 LEU 15 1HD2 LEU 15 4.935 -10.432 22.654 96 3HD2 LEU 15 2HD2 LEU 15 5.360 -8.715 22.682 97 H ASN 16 H ASN 16 9.067 -7.800 21.250 98 HA ASN 16 HA ASN 16 10.910 -6.259 20.670 99 1HB ASN 16 1HB ASN 16 11.326 -8.747 19.056 100 2HB ASN 16 2HB ASN 16 12.485 -7.865 20.055 101 1HD2 ASN 16 2HD2 ASN 16 10.822 -10.933 21.721 102 2HD2 ASN 16 1HD2 ASN 16 11.331 -10.717 20.110 103 H GLY 17 H GLY 17 10.622 -4.532 19.414 104 1HA GLY 17 1HA GLY 17 10.372 -3.257 17.437 105 2HA GLY 17 2HA GLY 17 11.704 -4.278 16.903 106 H GLY 18 H GLY 18 8.181 -4.465 17.339 107 1HA GLY 18 1HA GLY 18 8.036 -5.904 14.712 108 2HA GLY 18 2HA GLY 18 7.008 -6.324 16.077 109 H VAL 19 H VAL 19 6.839 -4.908 13.217 110 HA VAL 19 HA VAL 19 5.142 -2.659 14.072 111 HB VAL 19 HB VAL 19 5.860 -3.388 11.225 112 1HG1 VAL 19 1HG1 VAL 19 4.119 -1.579 11.960 113 2HG1 VAL 19 2HG1 VAL 19 5.532 -0.637 12.418 114 3HG1 VAL 19 3HG1 VAL 19 5.315 -1.145 10.747 115 1HG2 VAL 19 2HG2 VAL 19 7.549 -2.206 13.392 116 2HG2 VAL 19 3HG2 VAL 19 8.027 -3.222 12.036 117 3HG2 VAL 19 1HG2 VAL 19 7.691 -1.514 11.782 118 H CYS 20 H CYS 20 2.991 -2.793 14.009 119 HA CYS 20 HA CYS 20 1.781 -5.267 13.006 120 1HB CYS 20 1HB CYS 20 0.043 -4.756 14.384 121 2HB CYS 20 2HB CYS 20 1.216 -3.697 15.120 122 H MET 21 H MET 21 1.384 -5.470 10.942 123 HA MET 21 HA MET 21 0.802 -3.100 9.282 124 1HB MET 21 1HB MET 21 1.359 -6.035 8.721 125 2HB MET 21 2HB MET 21 0.749 -4.988 7.454 126 1HG MET 21 1HG MET 21 2.838 -3.534 8.587 127 2HG MET 21 2HG MET 21 3.423 -5.172 8.604 128 1HE MET 21 1HE MET 21 1.589 -2.641 6.812 129 2HE MET 21 2HE MET 21 2.454 -2.340 5.306 130 3HE MET 21 3HE MET 21 1.205 -3.582 5.372 131 H HIS 22 H HIS 22 -0.862 -3.239 7.658 132 HA HIS 22 HA HIS 22 -3.241 -4.878 8.296 133 1HB HIS 22 1HB HIS 22 -3.472 -3.023 9.862 134 2HB HIS 22 2HB HIS 22 -3.180 -1.845 8.583 135 HD1 HIS 22 HD1 HIS 22 -5.688 -1.156 9.362 136 HD2 HIS 22 HD2 HIS 22 -5.444 -4.695 7.368 137 HE1 HIS 22 HE1 HIS 22 -7.992 -1.803 8.880 138 H ILE 23 H ILE 23 -3.626 -5.554 6.226 139 HA ILE 23 HA ILE 23 -3.509 -3.574 4.056 140 HB ILE 23 HB ILE 23 -4.347 -6.386 3.503 141 1HG1 ILE 23 1HG1 ILE 23 -1.665 -6.755 3.416 142 2HG1 ILE 23 2HG1 ILE 23 -1.759 -5.712 4.826 143 1HG2 ILE 23 3HG2 ILE 23 -3.820 -4.437 1.856 144 2HG2 ILE 23 1HG2 ILE 23 -2.132 -4.739 2.238 145 3HG2 ILE 23 2HG2 ILE 23 -3.100 -6.001 1.490 146 1HD1 ILE 23 2HD1 ILE 23 -3.573 -7.269 5.717 147 2HD1 ILE 23 3HD1 ILE 23 -3.190 -8.354 4.387 148 3HD1 ILE 23 1HD1 ILE 23 -1.975 -7.994 5.606 149 H GLU 24 H GLU 24 -5.322 -2.411 4.033 150 HA GLU 24 HA GLU 24 -7.824 -2.984 5.038 151 1HB GLU 24 1HB GLU 24 -6.712 -1.135 3.121 152 2HB GLU 24 2HB GLU 24 -8.260 -1.712 2.507 153 1HG GLU 24 1HG GLU 24 -9.290 -1.186 4.733 154 2HG GLU 24 2HG GLU 24 -7.750 -0.508 5.252 155 H SER 25 H SER 25 -6.364 -4.383 2.228 156 HA SER 25 HA SER 25 -8.618 -5.250 0.811 157 1HB SER 25 1HB SER 25 -6.001 -6.756 1.322 158 2HB SER 25 2HB SER 25 -7.131 -7.092 -0.004 159 HG SER 25 HG SER 25 -6.492 -4.440 0.319 160 H LEU 26 H LEU 26 -6.782 -7.521 2.802 161 HA LEU 26 HA LEU 26 -9.108 -9.103 3.256 162 1HB LEU 26 1HB LEU 26 -6.371 -9.226 4.570 163 2HB LEU 26 2HB LEU 26 -7.575 -10.507 4.611 164 HG LEU 26 HG LEU 26 -7.339 -9.921 1.894 165 1HD1 LEU 26 2HD1 LEU 26 -5.252 -8.594 2.631 166 2HD1 LEU 26 3HD1 LEU 26 -4.546 -10.152 3.044 167 3HD1 LEU 26 1HD1 LEU 26 -5.005 -9.806 1.381 168 1HD2 LEU 26 1HD2 LEU 26 -5.916 -12.042 3.540 169 2HD2 LEU 26 2HD2 LEU 26 -7.568 -12.152 2.944 170 3HD2 LEU 26 3HD2 LEU 26 -6.224 -12.131 1.809 171 H ASP 27 H ASP 27 -7.946 -6.339 4.737 172 HA ASP 27 HA ASP 27 -8.550 -5.239 6.722 173 1HB ASP 27 1HB ASP 27 -10.834 -6.366 5.779 174 2HB ASP 27 2HB ASP 27 -10.697 -7.269 7.285 175 H SER 28 H SER 28 -7.370 -8.305 6.615 176 HA SER 28 HA SER 28 -7.608 -9.015 9.398 177 1HB SER 28 1HB SER 28 -5.769 -9.986 7.149 178 2HB SER 28 2HB SER 28 -5.817 -10.734 8.758 179 HG SER 28 HG SER 28 -7.767 -10.642 6.752 180 OH TYR 29 OH TYR 29 -8.585 -4.386 10.985 181 H TYR 29 H TYR 29 -4.863 -9.735 9.928 182 HA TYR 29 HA TYR 29 -3.369 -7.188 9.806 183 1HB TYR 29 1HB TYR 29 -4.229 -8.464 12.437 184 2HB TYR 29 2HB TYR 29 -3.184 -7.056 12.295 185 HD1 TYR 29 HD2 TYR 29 -4.118 -5.111 10.867 186 HD2 TYR 29 HD1 TYR 29 -6.585 -8.073 12.629 187 HE1 TYR 29 HE2 TYR 29 -6.088 -3.728 10.496 188 HE2 TYR 29 HE1 TYR 29 -8.565 -6.749 12.128 189 HH TYR 29 HH TYR 29 -8.306 -3.474 10.886 190 H THR 30 H THR 30 -1.178 -7.374 10.704 191 HA THR 30 HA THR 30 -0.165 -9.958 11.512 192 HB THR 30 HB THR 30 -0.499 -10.469 9.090 193 HG1 THR 30 HG1 THR 30 2.155 -10.121 8.960 194 1HG2 THR 30 2HG2 THR 30 -0.039 -7.870 8.528 195 2HG2 THR 30 3HG2 THR 30 1.638 -8.408 8.476 196 3HG2 THR 30 1HG2 THR 30 0.452 -9.109 7.377 197 H CYS 31 H CYS 31 1.819 -9.821 12.350 198 HA CYS 31 HA CYS 31 2.986 -7.142 12.611 199 1HB CYS 31 1HB CYS 31 2.764 -8.986 14.441 200 2HB CYS 31 2HB CYS 31 4.155 -9.709 13.691 201 H ASN 32 H ASN 32 5.209 -6.670 12.266 202 HA ASN 32 HA ASN 32 6.521 -8.415 10.228 203 1HB ASN 32 1HB ASN 32 5.430 -5.804 9.828 204 2HB ASN 32 2HB ASN 32 7.175 -5.595 9.855 205 1HD2 ASN 32 2HD2 ASN 32 5.549 -7.013 6.536 206 2HD2 ASN 32 1HD2 ASN 32 4.719 -6.133 7.727 207 H CYS 33 H CYS 33 7.873 -9.273 11.747 208 HA CYS 33 HA CYS 33 9.404 -7.675 13.595 209 1HB CYS 33 1HB CYS 33 10.339 -10.355 12.606 210 2HB CYS 33 2HB CYS 33 10.386 -9.716 14.231 211 H VAL 34 H VAL 34 12.004 -9.095 12.944 212 HA VAL 34 HA VAL 34 12.774 -8.046 10.360 213 HB VAL 34 HB VAL 34 14.458 -6.577 12.222 214 1HG1 VAL 34 1HG1 VAL 34 14.225 -6.197 9.791 215 2HG1 VAL 34 2HG1 VAL 34 12.569 -5.667 10.045 216 3HG1 VAL 34 3HG1 VAL 34 13.902 -4.735 10.714 217 1HG2 VAL 34 2HG2 VAL 34 12.145 -6.537 13.501 218 2HG2 VAL 34 3HG2 VAL 34 13.005 -5.036 13.232 219 3HG2 VAL 34 1HG2 VAL 34 11.656 -5.471 12.196 220 H ILE 35 H ILE 35 15.382 -7.591 10.675 221 HA ILE 35 HA ILE 35 16.496 -10.186 10.770 222 HB ILE 35 HB ILE 35 17.265 -8.298 9.375 223 1HG1 ILE 35 1HG1 ILE 35 19.540 -8.978 11.223 224 2HG1 ILE 35 2HG1 ILE 35 18.781 -10.186 10.210 225 1HG2 ILE 35 1HG2 ILE 35 17.321 -6.938 11.978 226 2HG2 ILE 35 2HG2 ILE 35 18.889 -6.799 11.192 227 3HG2 ILE 35 3HG2 ILE 35 17.445 -6.233 10.375 228 1HD1 ILE 35 3HD1 ILE 35 19.217 -8.727 8.216 229 2HD1 ILE 35 1HD1 ILE 35 20.064 -7.600 9.275 230 3HD1 ILE 35 2HD1 ILE 35 20.697 -9.224 9.029 231 H GLY 36 H GLY 36 15.505 -10.327 13.150 232 1HA GLY 36 1HA GLY 36 17.176 -11.226 14.992 233 2HA GLY 36 2HA GLY 36 17.495 -9.510 15.233 234 OH TYR 37 OH TYR 37 15.190 -4.707 17.958 235 H TYR 37 H TYR 37 14.522 -10.830 14.193 236 HA TYR 37 HA TYR 37 13.213 -10.767 16.785 237 1HB TYR 37 1HB TYR 37 12.473 -8.899 14.529 238 2HB TYR 37 2HB TYR 37 11.600 -9.055 16.047 239 HD1 TYR 37 HD2 TYR 37 13.319 -8.794 18.228 240 HD2 TYR 37 HD1 TYR 37 14.063 -7.189 14.365 241 HE1 TYR 37 HE2 TYR 37 14.354 -6.890 19.203 242 HE2 TYR 37 HE1 TYR 37 14.899 -5.115 15.333 243 HH TYR 37 HH TYR 37 16.105 -4.877 18.193 244 H SER 38 H SER 38 12.214 -12.690 16.703 245 HA SER 38 HA SER 38 10.273 -13.168 14.558 246 1HB SER 38 1HB SER 38 12.651 -13.973 13.755 247 2HB SER 38 2HB SER 38 12.405 -15.309 14.897 248 HG SER 38 HG SER 38 11.451 -15.241 12.534 249 H GLY 39 H GLY 39 10.350 -16.089 14.992 250 1HA GLY 39 1HA GLY 39 9.666 -17.714 16.606 251 2HA GLY 39 2HA GLY 39 9.747 -16.474 17.853 252 H ASP 40 H ASP 40 7.741 -16.355 18.748 253 HA ASP 40 HA ASP 40 5.323 -16.969 17.317 254 1HB ASP 40 1HB ASP 40 5.617 -16.827 19.886 255 2HB ASP 40 2HB ASP 40 5.617 -15.075 19.708 256 NH1 ARG 41 NH1 ARG 41 0.887 -12.529 21.399 257 NH2 ARG 41 NH2 ARG 41 2.556 -13.062 22.870 258 H ARG 41 H ARG 41 4.658 -13.978 18.658 259 HA ARG 41 HA ARG 41 4.111 -12.805 16.124 260 1HB ARG 41 1HB ARG 41 4.944 -10.901 18.287 261 2HB ARG 41 2HB ARG 41 3.442 -10.940 17.375 262 1HG ARG 41 1HG ARG 41 2.684 -12.883 18.776 263 2HG ARG 41 2HG ARG 41 4.154 -12.703 19.752 264 1HD ARG 41 1HD ARG 41 3.261 -10.167 19.769 265 2HD ARG 41 2HD ARG 41 1.733 -11.021 19.646 266 HE ARG 41 HE ARG 41 3.441 -10.915 21.971 267 1HH1 ARG 41 1HH1 ARG 41 0.564 -11.953 20.646 268 2HH1 ARG 41 2HH1 ARG 41 0.294 -13.238 21.779 269 1HH2 ARG 41 1HH2 ARG 41 3.482 -12.882 23.213 270 2HH2 ARG 41 2HH2 ARG 41 1.999 -13.784 23.281 271 H CYS 42 H CYS 42 6.647 -12.015 18.419 272 HA CYS 42 HA CYS 42 8.856 -12.204 16.622 273 1HB CYS 42 1HB CYS 42 8.120 -9.406 17.514 274 2HB CYS 42 2HB CYS 42 9.470 -9.860 16.502 275 H GLN 43 H GLN 43 7.922 -12.997 19.185 276 HA GLN 43 HA GLN 43 9.174 -11.540 21.314 277 1HB GLN 43 1HB GLN 43 8.591 -13.467 22.656 278 2HB GLN 43 2HB GLN 43 7.317 -13.288 21.459 279 1HG GLN 43 1HG GLN 43 8.642 -14.925 19.995 280 2HG GLN 43 2HG GLN 43 9.602 -15.279 21.428 281 1HE2 GLN 43 2HE2 GLN 43 5.705 -16.094 22.244 282 2HE2 GLN 43 1HE2 GLN 43 6.205 -14.508 21.918 283 H THR 44 H THR 44 10.847 -12.880 18.866 284 HA THR 44 HA THR 44 12.910 -14.009 20.645 285 HB THR 44 HB THR 44 12.722 -14.408 17.629 286 HG1 THR 44 HG1 THR 44 11.524 -16.231 18.222 287 1HG2 THR 44 2HG2 THR 44 13.897 -16.008 19.973 288 2HG2 THR 44 3HG2 THR 44 13.843 -16.590 18.313 289 3HG2 THR 44 1HG2 THR 44 14.844 -15.200 18.728 290 NH1 ARG 45 NH2 ARG 45 14.422 -4.815 21.502 291 NH2 ARG 45 NH1 ARG 45 16.579 -4.092 21.724 292 H ARG 45 H ARG 45 13.900 -12.022 21.184 293 HA ARG 45 HA ARG 45 15.116 -10.398 19.051 294 1HB ARG 45 1HB ARG 45 14.075 -9.532 21.235 295 2HB ARG 45 2HB ARG 45 15.421 -10.278 22.091 296 1HG ARG 45 1HG ARG 45 16.983 -8.824 21.182 297 2HG ARG 45 2HG ARG 45 16.001 -8.468 19.775 298 1HD ARG 45 1HD ARG 45 14.355 -7.311 21.300 299 2HD ARG 45 2HD ARG 45 15.516 -7.516 22.610 300 HE ARG 45 HE ARG 45 16.941 -6.288 20.531 301 1HH1 ARG 45 1HH2 ARG 45 13.787 -5.554 21.283 302 2HH1 ARG 45 2HH2 ARG 45 14.073 -3.917 21.769 303 1HH2 ARG 45 1HH1 ARG 45 17.558 -4.291 21.672 304 2HH2 ARG 45 2HH1 ARG 45 16.266 -3.180 21.989 305 H ASP 46 H ASP 46 16.623 -12.038 18.231 306 HA ASP 46 HA ASP 46 18.570 -13.150 20.204 307 1HB ASP 46 1HB ASP 46 17.318 -14.103 17.761 308 2HB ASP 46 2HB ASP 46 19.070 -14.262 17.660 309 H LEU 47 H LEU 47 20.769 -13.605 19.358 310 HA LEU 47 HA LEU 47 22.207 -11.186 18.910 311 1HB LEU 47 1HB LEU 47 23.050 -14.074 18.431 312 2HB LEU 47 2HB LEU 47 24.150 -12.714 18.632 313 HG LEU 47 HG LEU 47 22.227 -12.781 20.803 314 1HD1 LEU 47 3HD1 LEU 47 22.167 -15.205 20.331 315 2HD1 LEU 47 1HD1 LEU 47 23.923 -15.265 20.435 316 3HD1 LEU 47 2HD1 LEU 47 22.968 -14.871 21.861 317 1HD2 LEU 47 1HD2 LEU 47 24.408 -11.612 20.811 318 2HD2 LEU 47 2HD2 LEU 47 24.286 -12.749 22.149 319 3HD2 LEU 47 3HD2 LEU 47 25.236 -13.161 20.724 320 NH1 ARG 48 NH2 ARG 48 18.027 -16.057 15.686 321 NH2 ARG 48 NH1 ARG 48 20.257 -16.389 15.337 322 H ARG 48 H ARG 48 20.801 -10.542 17.000 323 HA ARG 48 HA ARG 48 22.258 -11.183 14.599 324 1HB ARG 48 1HB ARG 48 19.450 -10.965 13.935 325 2HB ARG 48 2HB ARG 48 20.551 -12.273 13.578 326 1HG ARG 48 1HG ARG 48 20.201 -13.125 15.930 327 2HG ARG 48 2HG ARG 48 18.967 -11.894 16.158 328 1HD ARG 48 1HD ARG 48 17.658 -13.667 15.375 329 2HD ARG 48 2HD ARG 48 18.107 -12.954 13.823 330 HE ARG 48 HE ARG 48 19.670 -14.739 13.476 331 1HH1 ARG 48 1HH2 ARG 48 17.200 -15.527 15.501 332 2HH1 ARG 48 2HH2 ARG 48 17.990 -16.848 16.297 333 1HH2 ARG 48 1HH1 ARG 48 21.106 -16.108 14.889 334 2HH2 ARG 48 2HH1 ARG 48 20.250 -17.184 15.945 335 CH2 TRP 49 CH2 TRP 49 17.729 -2.789 12.154 336 H TRP 49 H TRP 49 19.289 -9.487 14.936 337 HA TRP 49 HA TRP 49 19.770 -7.347 13.396 338 1HB TRP 49 1HB TRP 49 17.591 -7.479 14.449 339 2HB TRP 49 2HB TRP 49 18.329 -7.477 16.043 340 HD1 TRP 49 HD1 TRP 49 17.075 -5.568 16.926 341 HE1 TRP 49 HE1 TRP 49 16.180 -3.469 15.931 342 HE3 TRP 49 HE3 TRP 49 19.789 -5.359 12.753 343 HZ2 TRP 49 HZ2 TRP 49 16.171 -2.200 13.481 344 HZ3 TRP 49 HZ3 TRP 49 19.235 -3.746 10.987 345 HH2 TRP 49 HH2 TRP 49 17.531 -2.023 11.420 346 CH2 TRP 50 CH2 TRP 50 20.775 -9.977 20.582 347 H TRP 50 H TRP 50 19.903 -6.797 16.756 348 HA TRP 50 HA TRP 50 21.758 -4.623 16.458 349 1HB TRP 50 1HB TRP 50 21.966 -5.146 19.146 350 2HB TRP 50 2HB TRP 50 20.604 -4.261 18.470 351 HD1 TRP 50 HD1 TRP 50 18.232 -5.422 18.623 352 HE1 TRP 50 HE1 TRP 50 17.528 -7.801 19.047 353 HE3 TRP 50 HE3 TRP 50 22.609 -7.232 19.942 354 HZ2 TRP 50 HZ2 TRP 50 18.724 -10.226 20.063 355 HZ3 TRP 50 HZ3 TRP 50 22.843 -9.504 20.845 356 HH2 TRP 50 HH2 TRP 50 20.866 -10.955 21.023 357 H GLU 51 H GLU 51 23.735 -4.908 15.950 358 HA GLU 51 HA GLU 51 25.287 -7.127 15.867 359 1HB GLU 51 1HB GLU 51 25.958 -4.238 16.414 360 2HB GLU 51 2HB GLU 51 27.255 -5.430 16.429 361 1HG GLU 51 1HG GLU 51 26.725 -6.124 14.162 362 2HG GLU 51 2HG GLU 51 25.275 -5.123 14.154 363 H LEU 52 H LEU 52 26.561 -4.979 18.273 364 HA LEU 52 HA LEU 52 27.426 -5.433 20.407 365 1HB LEU 52 1HB LEU 52 24.649 -5.892 20.388 366 2HB LEU 52 2HB LEU 52 25.309 -7.324 21.156 367 HG LEU 52 HG LEU 52 26.710 -5.728 22.612 368 1HD1 LEU 52 3HD1 LEU 52 25.230 -3.795 20.989 369 2HD1 LEU 52 1HD1 LEU 52 24.948 -3.549 22.708 370 3HD1 LEU 52 2HD1 LEU 52 26.589 -3.533 22.071 371 1HD2 LEU 52 3HD2 LEU 52 24.749 -6.983 23.441 372 2HD2 LEU 52 1HD2 LEU 52 24.817 -5.383 24.171 373 3HD2 LEU 52 2HD2 LEU 52 23.683 -5.706 22.867 374 NH1 ARG 53 NH1 ARG 53 31.852 -5.310 21.610 375 NH2 ARG 53 NH2 ARG 53 33.861 -6.318 22.026 376 H ARG 53 H ARG 53 27.893 -7.453 18.161 377 HA ARG 53 HA ARG 53 29.080 -9.460 17.939 378 1HB ARG 53 1HB ARG 53 29.445 -9.464 20.956 379 2HB ARG 53 2HB ARG 53 30.552 -10.053 19.725 380 1HG ARG 53 1HG ARG 53 30.352 -7.443 18.976 381 2HG ARG 53 2HG ARG 53 30.140 -7.288 20.718 382 1HD ARG 53 1HD ARG 53 32.213 -8.628 21.070 383 2HD ARG 53 2HD ARG 53 32.436 -8.715 19.324 384 HE ARG 53 HE ARG 53 33.086 -6.418 19.328 385 1HH1 ARG 53 1HH1 ARG 53 31.063 -5.186 21.007 386 2HH1 ARG 53 2HH1 ARG 53 31.906 -4.800 22.470 387 1HH2 ARG 53 1HH2 ARG 53 34.578 -6.951 21.735 388 2HH2 ARG 53 ARG 53 33.952 -5.826 22.892 Start of MODEL 8 Raw file had 388 H/Q atoms Start of MODEL 8 1 1H ASN 1 2H ASN 1 -2.691 4.719 2.121 2 2H ASN 1 3H ASN 1 -3.566 4.836 0.670 3 3H ASN 1 1H ASN 1 -4.140 5.604 2.070 4 HA ASN 1 HA ASN 1 -5.228 3.820 2.714 5 1HB ASN 1 1HB ASN 1 -5.311 1.882 1.030 6 2HB ASN 1 2HB ASN 1 -5.699 3.458 0.343 7 1HD2 ASN 1 2HD2 ASN 1 -2.566 1.410 -1.106 8 2HD2 ASN 1 1HD2 ASN 1 -3.707 0.734 -0.045 9 H SER 2 H SER 2 -5.015 1.317 3.087 10 HA SER 2 HA SER 2 -3.798 -0.460 4.024 11 1HB SER 2 1HB SER 2 -2.021 0.522 2.198 12 2HB SER 2 2HB SER 2 -1.141 0.892 3.695 13 HG SER 2 HG SER 2 -1.811 -1.335 4.314 14 OH TYR 3 OH TYR 3 -4.883 8.188 9.239 15 H TYR 3 H TYR 3 -2.717 2.803 4.761 16 HA TYR 3 HA TYR 3 -2.064 3.790 6.768 17 1HB TYR 3 1HB TYR 3 -4.557 2.452 7.068 18 2HB TYR 3 2HB TYR 3 -3.662 2.213 8.568 19 HD1 TYR 3 HD1 TYR 3 -2.914 4.161 9.894 20 HD2 TYR 3 HD2 TYR 3 -5.238 4.696 6.373 21 HE1 TYR 3 HE1 TYR 3 -3.416 6.466 10.576 22 HE2 TYR 3 HE2 TYR 3 -5.725 7.006 7.045 23 HH TYR 3 HH TYR 3 -5.422 8.592 8.555 24 HA PRO 4 HA PRO 4 0.930 0.611 8.112 25 1HB PRO 4 1HB PRO 4 2.393 2.631 9.580 26 2HB PRO 4 2HB PRO 4 2.858 1.858 8.065 27 1HG PRO 4 1HG PRO 4 1.961 4.564 8.449 28 2HG PRO 4 2HG PRO 4 2.383 3.781 6.926 29 1HD PRO 4 2HD PRO 4 -0.251 4.474 7.924 30 2HD PRO 4 1HD PRO 4 0.180 3.778 6.346 31 H GLY 5 H GLY 5 1.143 -0.509 10.016 32 1HA GLY 5 1HA GLY 5 1.164 -0.636 12.460 33 2HA GLY 5 2HA GLY 5 0.142 0.794 12.515 34 H CYS 6 H CYS 6 -1.183 -0.565 13.962 35 HA CYS 6 HA CYS 6 -3.257 -1.886 12.420 36 1HB CYS 6 1HB CYS 6 -2.975 -3.769 14.341 37 2HB CYS 6 2HB CYS 6 -2.159 -3.876 12.805 38 HA PRO 7 HA PRO 7 -6.130 -0.214 15.307 39 1HB PRO 7 1HB PRO 7 -6.830 -3.027 16.103 40 2HB PRO 7 2HB PRO 7 -7.898 -1.748 15.505 41 1HG PRO 7 1HG PRO 7 -6.943 -3.929 13.995 42 2HG PRO 7 2HG PRO 7 -7.626 -2.443 13.316 43 1HD PRO 7 2HD PRO 7 -4.875 -3.343 13.219 44 2HD PRO 7 1HD PRO 7 -5.565 -1.874 12.490 45 H SER 8 H SER 8 -5.228 0.659 17.118 46 HA SER 8 HA SER 8 -3.253 -0.367 18.744 47 1HB SER 8 1HB SER 8 -5.661 1.268 19.676 48 2HB SER 8 2HB SER 8 -4.154 1.047 20.599 49 HG SER 8 HG SER 8 -3.137 2.308 19.247 50 H SER 9 H SER 9 -6.557 -1.405 18.660 51 HA SER 9 HA SER 9 -6.909 -2.589 21.164 52 1HB SER 9 1HB SER 9 -7.823 -3.168 18.381 53 2HB SER 9 2HB SER 9 -7.860 -4.576 19.462 54 HG SER 9 HG SER 9 -8.939 -1.996 19.976 55 OH TYR 10 OH TYR 10 -5.307 -8.432 14.491 56 H TYR 10 H TYR 10 -4.594 -3.211 18.808 57 HA TYR 10 HA TYR 10 -3.880 -5.887 19.623 58 1HB TYR 10 1HB TYR 10 -2.901 -3.801 17.688 59 2HB TYR 10 2HB TYR 10 -1.779 -5.075 18.156 60 HD1 TYR 10 HD2 TYR 10 -2.661 -7.470 18.029 61 HD2 TYR 10 HD1 TYR 10 -4.533 -4.250 16.030 62 HE1 TYR 10 HE2 TYR 10 -3.648 -9.055 16.455 63 HE2 TYR 10 HE1 TYR 10 -5.628 -5.795 14.513 64 HH TYR 10 HH TYR 10 -5.074 -9.322 14.768 65 H ASP 11 H ASP 11 -1.657 -3.228 19.245 66 HA ASP 11 HA ASP 11 0.351 -2.906 20.484 67 1HB ASP 11 1HB ASP 11 -1.780 -1.461 21.069 68 2HB ASP 11 2HB ASP 11 -1.683 -2.315 22.611 69 H GLY 12 H GLY 12 -0.463 -5.701 20.766 70 1HA GLY 12 1HA GLY 12 1.015 -6.236 23.226 71 2HA GLY 12 2HA GLY 12 -0.674 -6.693 23.333 72 OH TYR 13 OH TYR 13 0.066 -12.407 14.426 73 H TYR 13 H TYR 13 -0.933 -7.719 20.586 74 HA TYR 13 HA TYR 13 0.233 -10.320 21.149 75 1HB TYR 13 1HB TYR 13 -1.702 -10.769 20.014 76 2HB TYR 13 2HB TYR 13 -1.755 -9.185 19.277 77 HD1 TYR 13 HD1 TYR 13 0.060 -12.484 18.949 78 HD2 TYR 13 HD2 TYR 13 -1.360 -8.983 17.002 79 HE1 TYR 13 HE1 TYR 13 0.552 -13.486 16.775 80 HE2 TYR 13 HE2 TYR 13 -0.988 -10.034 14.826 81 HH TYR 13 HH TYR 13 0.709 -13.108 14.555 82 H CYS 14 H CYS 14 1.029 -7.703 18.828 83 HA CYS 14 HA CYS 14 3.065 -9.390 17.596 84 1HB CYS 14 1HB CYS 14 2.027 -6.706 17.219 85 2HB CYS 14 2HB CYS 14 3.771 -6.628 17.309 86 H LEU 15 H LEU 15 4.898 -9.986 18.529 87 HA LEU 15 HA LEU 15 5.856 -8.630 20.933 88 1HB LEU 15 1HB LEU 15 6.094 -11.219 19.585 89 2HB LEU 15 2HB LEU 15 7.658 -10.637 20.107 90 HG LEU 15 HG LEU 15 6.794 -11.985 21.837 91 1HD1 LEU 15 3HD1 LEU 15 7.647 -9.475 22.300 92 2HD1 LEU 15 1HD1 LEU 15 6.073 -9.388 23.082 93 3HD1 LEU 15 2HD1 LEU 15 7.244 -10.597 23.593 94 1HD2 LEU 15 3HD2 LEU 15 4.240 -10.644 21.191 95 2HD2 LEU 15 1HD2 LEU 15 4.553 -12.305 21.701 96 3HD2 LEU 15 2HD2 LEU 15 4.494 -11.015 22.894 97 H ASN 16 H ASN 16 8.009 -8.033 21.264 98 HA ASN 16 HA ASN 16 9.710 -6.476 20.629 99 1HB ASN 16 1HB ASN 16 10.391 -8.880 18.968 100 2HB ASN 16 2HB ASN 16 11.476 -7.808 19.859 101 1HD2 ASN 16 2HD2 ASN 16 10.582 -10.981 21.795 102 2HD2 ASN 16 1HD2 ASN 16 11.085 -10.751 20.187 103 H GLY 17 H GLY 17 8.859 -4.834 19.444 104 1HA GLY 17 1HA GLY 17 8.270 -3.618 17.512 105 2HA GLY 17 2HA GLY 17 9.886 -4.114 17.035 106 H GLY 18 H GLY 18 7.425 -6.551 17.440 107 1HA GLY 18 1HA GLY 18 7.772 -7.627 14.857 108 2HA GLY 18 2HA GLY 18 6.310 -7.857 15.822 109 H VAL 19 H VAL 19 7.363 -6.689 12.913 110 HA VAL 19 HA VAL 19 5.745 -4.302 12.797 111 HB VAL 19 HB VAL 19 6.736 -5.972 10.460 112 1HG1 VAL 19 1HG1 VAL 19 5.093 -3.806 10.419 113 2HG1 VAL 19 2HG1 VAL 19 6.657 -3.000 10.409 114 3HG1 VAL 19 3HG1 VAL 19 6.253 -4.149 9.140 115 1HG2 VAL 19 2HG2 VAL 19 8.158 -3.795 12.030 116 2HG2 VAL 19 3HG2 VAL 19 8.616 -5.492 11.974 117 3HG2 VAL 19 1HG2 VAL 19 8.749 -4.497 10.529 118 H CYS 20 H CYS 20 3.670 -4.177 12.519 119 HA CYS 20 HA CYS 20 2.202 -6.626 11.697 120 1HB CYS 20 1HB CYS 20 0.340 -5.774 12.891 121 2HB CYS 20 2HB CYS 20 1.716 -5.462 13.920 122 H MET 21 H MET 21 1.803 -6.664 9.601 123 HA MET 21 HA MET 21 1.504 -4.178 8.102 124 1HB MET 21 1HB MET 21 1.164 -7.133 7.388 125 2HB MET 21 2HB MET 21 0.873 -5.852 6.220 126 1HG MET 21 1HG MET 21 3.196 -5.001 6.798 127 2HG MET 21 2HG MET 21 3.433 -6.490 7.676 128 1HE MET 21 1HE MET 21 2.316 -4.901 4.625 129 2HE MET 21 2HE MET 21 3.976 -4.875 4.032 130 3HE MET 21 3HE MET 21 2.778 -5.912 3.258 131 H HIS 22 H HIS 22 -0.349 -3.603 6.932 132 HA HIS 22 HA HIS 22 -2.914 -4.723 7.974 133 1HB HIS 22 1HB HIS 22 -2.379 -2.798 9.378 134 2HB HIS 22 2HB HIS 22 -2.068 -1.797 7.959 135 HD1 HIS 22 HD1 HIS 22 -4.125 -0.451 9.096 136 HD2 HIS 22 HD2 HIS 22 -5.138 -4.041 7.473 137 HE1 HIS 22 HE1 HIS 22 -6.561 -0.489 9.065 138 H ILE 23 H ILE 23 -3.730 -5.419 6.000 139 HA ILE 23 HA ILE 23 -3.534 -3.658 3.681 140 HB ILE 23 HB ILE 23 -5.335 -6.030 3.565 141 1HG1 ILE 23 1HG1 ILE 23 -3.118 -7.438 3.258 142 2HG1 ILE 23 2HG1 ILE 23 -2.421 -6.216 4.311 143 1HG2 ILE 23 1HG2 ILE 23 -4.534 -4.583 1.614 144 2HG2 ILE 23 2HG2 ILE 23 -2.918 -5.226 1.889 145 3HG2 ILE 23 3HG2 ILE 23 -4.226 -6.304 1.408 146 1HD1 ILE 23 2HD1 ILE 23 -4.761 -6.816 5.643 147 2HD1 ILE 23 3HD1 ILE 23 -4.341 -8.375 4.939 148 3HD1 ILE 23 1HD1 ILE 23 -3.200 -7.548 5.995 149 H GLU 24 H GLU 24 -4.809 -1.934 3.912 150 HA GLU 24 HA GLU 24 -7.165 -1.629 5.345 151 1HB GLU 24 1HB GLU 24 -5.891 -0.291 3.036 152 2HB GLU 24 2HB GLU 24 -7.635 -0.076 3.088 153 1HG GLU 24 1HG GLU 24 -5.919 0.336 5.552 154 2HG GLU 24 2HG GLU 24 -6.222 1.641 4.405 155 H SER 25 H SER 25 -6.773 -3.152 2.220 156 HA SER 25 HA SER 25 -9.321 -3.182 1.181 157 1HB SER 25 1HB SER 25 -7.530 -4.465 0.090 158 2HB SER 25 2HB SER 25 -7.392 -5.543 1.494 159 HG SER 25 HG SER 25 -8.785 -6.310 -0.259 160 H LEU 26 H LEU 26 -8.418 -6.103 2.910 161 HA LEU 26 HA LEU 26 -11.111 -6.379 3.845 162 1HB LEU 26 1HB LEU 26 -8.741 -8.074 4.696 163 2HB LEU 26 2HB LEU 26 -10.425 -8.561 4.613 164 HG LEU 26 HG LEU 26 -8.898 -7.732 2.122 165 1HD1 LEU 26 1HD1 LEU 26 -9.104 -10.446 3.452 166 2HD1 LEU 26 2HD1 LEU 26 -8.652 -10.229 1.762 167 3HD1 LEU 26 3HD1 LEU 26 -7.633 -9.566 3.039 168 1HD2 LEU 26 2HD2 LEU 26 -11.590 -8.264 2.607 169 2HD2 LEU 26 3HD2 LEU 26 -10.805 -8.317 1.033 170 3HD2 LEU 26 1HD2 LEU 26 -10.981 -9.788 1.981 171 H ASP 27 H ASP 27 -8.509 -4.690 4.982 172 HA ASP 27 HA ASP 27 -8.119 -3.604 7.029 173 1HB ASP 27 1HB ASP 27 -10.868 -3.779 6.813 174 2HB ASP 27 2HB ASP 27 -10.591 -4.655 8.317 175 H SER 28 H SER 28 -7.721 -6.649 6.575 176 HA SER 28 HA SER 28 -7.901 -7.722 9.249 177 1HB SER 28 1HB SER 28 -7.518 -8.784 6.653 178 2HB SER 28 2HB SER 28 -6.005 -9.131 7.507 179 HG SER 28 HG SER 28 -8.468 -9.449 8.821 180 OH TYR 29 OH TYR 29 -7.619 -2.840 10.926 181 H TYR 29 H TYR 29 -5.628 -8.964 9.849 182 HA TYR 29 HA TYR 29 -3.424 -6.994 9.672 183 1HB TYR 29 1HB TYR 29 -4.601 -7.996 12.304 184 2HB TYR 29 2HB TYR 29 -3.210 -6.918 12.148 185 HD1 TYR 29 HD2 TYR 29 -3.553 -4.816 10.772 186 HD2 TYR 29 HD1 TYR 29 -6.776 -7.034 12.387 187 HE1 TYR 29 HE2 TYR 29 -5.033 -2.915 10.453 188 HE2 TYR 29 HE1 TYR 29 -8.302 -5.184 11.933 189 HH TYR 29 HH TYR 29 -8.213 -3.068 10.208 190 H THR 30 H THR 30 -1.397 -7.777 10.352 191 HA THR 30 HA THR 30 -1.167 -10.564 11.221 192 HB THR 30 HB THR 30 -1.558 -10.892 8.773 193 HG1 THR 30 HG1 THR 30 -0.049 -12.208 9.810 194 1HG2 THR 30 2HG2 THR 30 -0.421 -8.516 8.300 195 2HG2 THR 30 3HG2 THR 30 1.082 -9.442 8.328 196 3HG2 THR 30 1HG2 THR 30 -0.168 -9.817 7.138 197 H CYS 31 H CYS 31 0.658 -10.939 12.178 198 HA CYS 31 HA CYS 31 2.561 -8.720 12.449 199 1HB CYS 31 1HB CYS 31 2.079 -11.320 13.874 200 2HB CYS 31 2HB CYS 31 3.611 -10.517 14.076 201 H ASN 32 H ASN 32 4.704 -8.806 12.019 202 HA ASN 32 HA ASN 32 5.780 -11.212 10.670 203 1HB ASN 32 1HB ASN 32 4.756 -9.074 9.192 204 2HB ASN 32 2HB ASN 32 6.464 -8.666 9.303 205 1HD2 ASN 32 2HD2 ASN 32 7.372 -11.038 6.888 206 2HD2 ASN 32 1HD2 ASN 32 7.750 -9.616 7.733 207 H CYS 33 H CYS 33 7.423 -11.582 12.050 208 HA CYS 33 HA CYS 33 8.807 -9.583 13.511 209 1HB CYS 33 1HB CYS 33 10.269 -12.056 12.658 210 2HB CYS 33 2HB CYS 33 10.180 -11.306 14.239 211 H VAL 34 H VAL 34 11.550 -10.147 12.960 212 HA VAL 34 HA VAL 34 12.060 -9.466 10.193 213 HB VAL 34 HB VAL 34 13.112 -7.213 11.798 214 1HG1 VAL 34 2HG1 VAL 34 11.459 -7.377 9.267 215 2HG1 VAL 34 3HG1 VAL 34 12.292 -5.939 9.854 216 3HG1 VAL 34 1HG1 VAL 34 13.218 -7.349 9.348 217 1HG2 VAL 34 2HG2 VAL 34 10.729 -7.548 12.815 218 2HG2 VAL 34 3HG2 VAL 34 11.139 -5.970 12.179 219 3HG2 VAL 34 1HG2 VAL 34 10.152 -7.073 11.224 220 H ILE 35 H ILE 35 14.362 -8.114 10.450 221 HA ILE 35 HA ILE 35 16.217 -10.189 11.043 222 HB ILE 35 HB ILE 35 16.348 -8.557 9.201 223 1HG1 ILE 35 1HG1 ILE 35 18.617 -7.736 9.413 224 2HG1 ILE 35 2HG1 ILE 35 18.614 -8.059 11.128 225 1HG2 ILE 35 1HG2 ILE 35 15.778 -6.694 11.381 226 2HG2 ILE 35 2HG2 ILE 35 17.208 -6.186 10.484 227 3HG2 ILE 35 3HG2 ILE 35 15.684 -6.421 9.645 228 1HD1 ILE 35 3HD1 ILE 35 17.835 -10.351 9.411 229 2HD1 ILE 35 1HD1 ILE 35 19.511 -9.839 9.267 230 3HD1 ILE 35 2HD1 ILE 35 18.871 -10.322 10.832 231 H GLY 36 H GLY 36 15.173 -10.102 13.376 232 1HA GLY 36 1HA GLY 36 16.961 -9.918 15.382 233 2HA GLY 36 2HA GLY 36 16.504 -8.208 15.251 234 OH TYR 37 OH TYR 37 12.961 -4.317 17.009 235 H TYR 37 H TYR 37 14.311 -10.662 14.384 236 HA TYR 37 HA TYR 37 12.968 -10.803 16.959 237 1HB TYR 37 1HB TYR 37 11.663 -9.656 14.498 238 2HB TYR 37 2HB TYR 37 10.903 -9.842 16.064 239 HD1 TYR 37 HD2 TYR 37 12.384 -8.645 18.063 240 HD2 TYR 37 HD1 TYR 37 12.619 -7.606 13.965 241 HE1 TYR 37 HE2 TYR 37 12.856 -6.403 18.660 242 HE2 TYR 37 HE1 TYR 37 12.730 -5.261 14.511 243 HH TYR 37 HH TYR 37 12.700 -4.228 17.929 244 H SER 38 H SER 38 12.406 -12.875 17.198 245 HA SER 38 HA SER 38 11.048 -14.306 15.041 246 1HB SER 38 1HB SER 38 13.864 -15.108 15.936 247 2HB SER 38 2HB SER 38 12.814 -16.138 14.945 248 HG SER 38 HG SER 38 14.319 -14.132 14.134 249 H GLY 39 H GLY 39 11.437 -16.929 15.908 250 1HA GLY 39 1HA GLY 39 11.135 -18.386 17.821 251 2HA GLY 39 2HA GLY 39 10.775 -16.972 18.809 252 H ASP 40 H ASP 40 8.730 -17.540 19.589 253 HA ASP 40 HA ASP 40 6.701 -18.838 18.043 254 1HB ASP 40 1HB ASP 40 6.592 -18.448 20.570 255 2HB ASP 40 2HB ASP 40 6.293 -16.743 20.242 256 NH1 ARG 41 NH2 ARG 41 2.242 -15.404 21.132 257 NH2 ARG 41 NH1 ARG 41 2.091 -13.671 22.618 258 H ARG 41 H ARG 41 5.323 -15.854 19.029 259 HA ARG 41 HA ARG 41 4.740 -15.232 16.288 260 1HB ARG 41 1HB ARG 41 5.047 -12.973 18.306 261 2HB ARG 41 2HB ARG 41 3.843 -13.153 17.043 262 1HG ARG 41 1HG ARG 41 2.658 -14.832 18.374 263 2HG ARG 41 2HG ARG 41 3.918 -14.737 19.623 264 1HD ARG 41 1HD ARG 41 3.472 -12.331 19.823 265 2HD ARG 41 2HD ARG 41 2.258 -12.455 18.594 266 HE ARG 41 HE ARG 41 0.857 -12.895 20.434 267 1HH1 ARG 41 1HH2 ARG 41 2.167 -15.731 20.188 268 2HH1 ARG 41 2HH2 ARG 41 2.476 -16.042 21.864 269 1HH2 ARG 41 1HH1 ARG 41 1.899 -12.699 22.782 270 2HH2 ARG 41 2HH1 ARG 41 2.324 -14.270 23.382 271 H CYS 42 H CYS 42 6.768 -13.531 18.593 272 HA CYS 42 HA CYS 42 9.164 -13.579 17.043 273 1HB CYS 42 1HB CYS 42 7.849 -10.885 17.316 274 2HB CYS 42 2HB CYS 42 9.252 -11.298 16.377 275 H GLN 43 H GLN 43 8.377 -14.113 19.688 276 HA GLN 43 HA GLN 43 9.041 -11.925 21.454 277 1HB GLN 43 1HB GLN 43 9.533 -14.562 22.609 278 2HB GLN 43 2HB GLN 43 8.310 -13.378 23.043 279 1HG GLN 43 1HG GLN 43 6.981 -14.163 21.012 280 2HG GLN 43 2HG GLN 43 8.144 -15.480 20.864 281 1HE2 GLN 43 2HE2 GLN 43 6.398 -17.374 23.247 282 2HE2 GLN 43 1HE2 GLN 43 7.305 -17.333 21.814 283 H THR 44 H THR 44 11.093 -13.426 19.396 284 HA THR 44 HA THR 44 13.317 -13.461 21.330 285 HB THR 44 HB THR 44 13.689 -14.428 18.494 286 HG1 THR 44 HG1 THR 44 12.677 -16.268 20.206 287 1HG2 THR 44 2HG2 THR 44 15.432 -14.644 20.412 288 2HG2 THR 44 3HG2 THR 44 14.278 -15.684 21.225 289 3HG2 THR 44 1HG2 THR 44 14.966 -16.174 19.681 290 NH1 ARG 45 NH2 ARG 45 16.303 -4.684 22.611 291 NH2 ARG 45 NH1 ARG 45 14.288 -3.603 22.665 292 H ARG 45 H ARG 45 13.561 -11.193 21.443 293 HA ARG 45 HA ARG 45 14.200 -9.613 19.093 294 1HB ARG 45 1HB ARG 45 13.132 -8.713 21.145 295 2HB ARG 45 2HB ARG 45 14.552 -9.159 22.086 296 1HG ARG 45 1HG ARG 45 15.851 -7.525 21.118 297 2HG ARG 45 2HG ARG 45 14.888 -7.493 19.638 298 1HD ARG 45 1HD ARG 45 13.058 -6.411 20.778 299 2HD ARG 45 2HD ARG 45 13.849 -6.589 22.336 300 HE ARG 45 HE ARG 45 14.892 -4.803 20.179 301 1HH1 ARG 45 1HH2 ARG 45 16.899 -5.361 22.180 302 2HH1 ARG 45 2HH2 ARG 45 16.621 -4.176 23.413 303 1HH2 ARG 45 1HH1 ARG 45 13.377 -3.470 22.272 304 2HH2 ARG 45 2HH1 ARG 45 14.568 -3.077 23.467 305 H ASP 46 H ASP 46 15.920 -11.061 18.346 306 HA ASP 46 HA ASP 46 18.317 -11.549 19.888 307 1HB ASP 46 1HB ASP 46 17.446 -11.895 17.027 308 2HB ASP 46 2HB ASP 46 19.150 -12.084 17.427 309 H LEU 47 H LEU 47 20.482 -10.856 19.307 310 HA LEU 47 HA LEU 47 20.672 -7.987 19.046 311 1HB LEU 47 1HB LEU 47 23.237 -8.663 18.896 312 2HB LEU 47 2HB LEU 47 22.373 -8.762 20.423 313 HG LEU 47 HG LEU 47 22.197 -11.162 18.666 314 1HD1 LEU 47 2HD1 LEU 47 24.731 -10.228 20.031 315 2HD1 LEU 47 3HD1 LEU 47 24.438 -11.919 19.643 316 3HD1 LEU 47 1HD1 LEU 47 24.534 -10.723 18.352 317 1HD2 LEU 47 2HD2 LEU 47 21.181 -10.890 20.980 318 2HD2 LEU 47 3HD2 LEU 47 22.255 -12.277 20.817 319 3HD2 LEU 47 1HD2 LEU 47 22.820 -10.815 21.618 320 NH1 ARG 48 NH2 ARG 48 19.477 -13.033 12.778 321 NH2 ARG 48 NH1 ARG 48 21.393 -13.194 14.015 322 H ARG 48 H ARG 48 20.288 -7.042 17.161 323 HA ARG 48 HA ARG 48 22.091 -7.096 15.099 324 1HB ARG 48 1HB ARG 48 20.547 -8.305 13.411 325 2HB ARG 48 2HB ARG 48 21.551 -9.274 14.459 326 1HG ARG 48 1HG ARG 48 19.184 -8.876 15.980 327 2HG ARG 48 2HG ARG 48 18.668 -9.105 14.308 328 1HD ARG 48 1HD ARG 48 20.432 -10.972 15.883 329 2HD ARG 48 2HD ARG 48 18.820 -11.306 15.251 330 HE ARG 48 HE ARG 48 20.678 -10.564 13.154 331 1HH1 ARG 48 1HH2 ARG 48 18.731 -12.468 12.424 332 2HH1 ARG 48 2HH2 ARG 48 19.515 -14.006 12.556 333 1HH2 ARG 48 1HH1 ARG 48 22.082 -12.751 14.586 334 2HH2 ARG 48 2HH1 ARG 48 21.463 -14.172 13.814 335 CH2 TRP 49 CH2 TRP 49 14.109 -3.153 10.659 336 H TRP 49 H TRP 49 18.661 -7.377 14.731 337 HA TRP 49 HA TRP 49 18.121 -5.505 12.942 338 1HB TRP 49 1HB TRP 49 16.115 -6.470 13.893 339 2HB TRP 49 2HB TRP 49 16.545 -5.896 15.492 340 HD1 TRP 49 HD1 TRP 49 14.951 -3.881 16.083 341 HE1 TRP 49 HE1 TRP 49 13.097 -3.014 14.717 342 HE3 TRP 49 HE3 TRP 49 17.025 -4.340 11.734 343 HZ2 TRP 49 HZ2 TRP 49 12.469 -2.776 11.944 344 HZ3 TRP 49 HZ3 TRP 49 15.856 -3.815 9.635 345 HH2 TRP 49 HH2 TRP 49 13.611 -2.824 9.761 346 CH2 TRP 50 CH2 TRP 50 20.123 -5.888 20.250 347 H TRP 50 H TRP 50 17.218 -4.364 15.955 348 HA TRP 50 HA TRP 50 17.501 -1.703 15.394 349 1HB TRP 50 1HB TRP 50 18.162 -1.615 18.083 350 2HB TRP 50 2HB TRP 50 16.520 -1.806 17.500 351 HD1 TRP 50 HD1 TRP 50 15.336 -4.188 17.990 352 HE1 TRP 50 HE1 TRP 50 16.273 -6.403 18.687 353 HE3 TRP 50 HE3 TRP 50 19.926 -2.736 19.106 354 HZ2 TRP 50 HZ2 TRP 50 18.659 -7.414 19.883 355 HZ3 TRP 50 HZ3 TRP 50 21.454 -4.227 20.321 356 HH2 TRP 50 HH2 TRP 50 20.774 -6.527 20.831 357 H GLU 51 H GLU 51 19.169 -1.094 14.317 358 HA GLU 51 HA GLU 51 21.569 -0.358 15.617 359 1HB GLU 51 1HB GLU 51 21.553 -2.760 13.759 360 2HB GLU 51 2HB GLU 51 22.991 -1.757 13.860 361 1HG GLU 51 1HG GLU 51 22.605 -2.162 16.503 362 2HG GLU 51 2HG GLU 51 21.823 -3.619 15.882 363 H LEU 52 H LEU 52 21.354 -1.418 12.283 364 HA LEU 52 HA LEU 52 21.529 -0.237 10.280 365 1HB LEU 52 1HB LEU 52 19.715 1.539 11.946 366 2HB LEU 52 2HB LEU 52 20.088 1.913 10.270 367 HG LEU 52 HG LEU 52 19.327 -0.893 10.671 368 1HD1 LEU 52 3HD1 LEU 52 17.369 1.335 11.310 369 2HD1 LEU 52 1HD1 LEU 52 16.895 -0.326 10.962 370 3HD1 LEU 52 2HD1 LEU 52 17.868 0.034 12.385 371 1HD2 LEU 52 2HD2 LEU 52 19.550 0.319 8.476 372 2HD2 LEU 52 3HD2 LEU 52 17.970 -0.423 8.700 373 3HD2 LEU 52 1HD2 LEU 52 18.168 1.311 8.934 374 NH1 ARG 53 NH2 ARG 53 27.392 -0.302 15.291 375 NH2 ARG 53 NH1 ARG 53 26.968 1.070 17.070 376 H ARG 53 H ARG 53 21.457 2.536 12.502 377 HA ARG 53 HA ARG 53 22.934 4.318 12.749 378 1HB ARG 53 1HB ARG 53 24.981 2.208 11.905 379 2HB ARG 53 2HB ARG 53 25.363 3.740 12.669 380 1HG ARG 53 1HG ARG 53 24.714 3.017 14.738 381 2HG ARG 53 2HG ARG 53 23.344 2.122 14.102 382 1HD ARG 53 1HD ARG 53 24.657 0.228 13.585 383 2HD ARG 53 2HD ARG 53 26.158 1.152 13.604 384 HE ARG 53 HE ARG 53 24.622 0.619 16.115 385 1HH1 ARG 53 1HH2 ARG 53 27.069 -0.740 14.451 386 2HH1 ARG 53 ARG 53 28.323 -0.467 15.615 387 1HH2 ARG 53 1HH1 ARG 53 26.329 1.660 17.564 388 2HH2 ARG 53 2HH1 ARG 53 27.895 0.932 17.422 Start of MODEL 9 Raw file had 388 H/Q atoms Start of MODEL 9 1 1H ASN 1 3H ASN 1 -6.314 0.307 1.665 2 2H ASN 1 1H ASN 1 -6.616 1.568 0.567 3 3H ASN 1 2H ASN 1 -5.872 0.138 0.033 4 HA ASN 1 HA ASN 1 -4.055 1.451 0.201 5 1HB ASN 1 1HB ASN 1 -5.606 2.768 2.458 6 2HB ASN 1 2HB ASN 1 -3.880 3.059 2.266 7 1HD2 ASN 1 2HD2 ASN 1 -4.259 5.101 -0.600 8 2HD2 ASN 1 1HD2 ASN 1 -3.173 4.287 0.420 9 H SER 2 H SER 2 -4.606 1.470 3.662 10 HA SER 2 HA SER 2 -3.710 -1.056 4.324 11 1HB SER 2 1HB SER 2 -1.567 0.608 3.260 12 2HB SER 2 2HB SER 2 -1.231 0.187 4.951 13 HG SER 2 HG SER 2 -1.733 -1.976 4.435 14 OH TYR 3 OH TYR 3 -10.258 4.820 7.503 15 H TYR 3 H TYR 3 -4.609 1.981 5.094 16 HA TYR 3 HA TYR 3 -4.752 3.199 7.109 17 1HB TYR 3 1HB TYR 3 -5.896 0.511 7.308 18 2HB TYR 3 2HB TYR 3 -5.506 1.198 8.884 19 HD1 TYR 3 HD1 TYR 3 -6.131 3.816 9.072 20 HD2 TYR 3 HD2 TYR 3 -7.991 1.053 6.427 21 HE1 TYR 3 HE1 TYR 3 -8.094 5.279 8.920 22 HE2 TYR 3 HE2 TYR 3 -9.952 2.516 6.276 23 HH TYR 3 HH TYR 3 -10.919 4.376 6.969 24 HA PRO 4 HA PRO 4 -0.663 2.200 8.934 25 1HB PRO 4 1HB PRO 4 -0.946 4.741 10.382 26 2HB PRO 4 2HB PRO 4 0.271 4.288 9.187 27 1HG PRO 4 1HG PRO 4 -1.858 6.103 8.777 28 2HG PRO 4 2HG PRO 4 -0.849 5.396 7.515 29 1HD PRO 4 2HD PRO 4 -3.633 4.802 8.198 30 2HD PRO 4 1HD PRO 4 -2.720 4.305 6.758 31 H GLY 5 H GLY 5 -1.022 0.663 10.420 32 1HA GLY 5 1HA GLY 5 -0.999 0.447 12.950 33 2HA GLY 5 2HA GLY 5 -2.460 1.430 12.937 34 H CYS 6 H CYS 6 -3.194 -0.554 14.157 35 HA CYS 6 HA CYS 6 -4.539 -2.344 12.270 36 1HB CYS 6 1HB CYS 6 -3.883 -4.249 13.946 37 2HB CYS 6 2HB CYS 6 -2.667 -3.699 12.835 38 HA PRO 7 HA PRO 7 -8.212 -1.827 14.655 39 1HB PRO 7 1HB PRO 7 -7.955 -4.711 15.497 40 2HB PRO 7 2HB PRO 7 -9.332 -3.892 14.742 41 1HG PRO 7 1HG PRO 7 -7.478 -5.556 13.412 42 2HG PRO 7 2HG PRO 7 -8.583 -4.430 12.618 43 1HD PRO 7 2HD PRO 7 -5.718 -4.250 12.794 44 2HD PRO 7 1HD PRO 7 -6.812 -3.093 12.011 45 H SER 8 H SER 8 -8.658 -1.232 16.803 46 HA SER 8 HA SER 8 -6.542 -0.905 18.603 47 1HB SER 8 1HB SER 8 -8.222 -0.548 20.363 48 2HB SER 8 2HB SER 8 -8.862 0.132 18.849 49 HG SER 8 HG SER 8 -9.283 -2.552 19.672 50 H SER 9 H SER 9 -8.484 -3.752 18.068 51 HA SER 9 HA SER 9 -8.088 -5.204 20.410 52 1HB SER 9 1HB SER 9 -7.688 -6.258 17.556 53 2HB SER 9 2HB SER 9 -8.134 -7.233 18.970 54 HG SER 9 HG SER 9 -9.967 -6.508 17.748 55 OH TYR 10 OH TYR 10 -4.050 -9.082 14.489 56 H TYR 10 H TYR 10 -5.784 -3.988 18.261 57 HA TYR 10 HA TYR 10 -3.651 -5.767 19.131 58 1HB TYR 10 1HB TYR 10 -3.922 -3.526 17.114 59 2HB TYR 10 2HB TYR 10 -2.323 -4.089 17.594 60 HD1 TYR 10 HD2 TYR 10 -1.624 -6.340 17.104 61 HD2 TYR 10 HD1 TYR 10 -5.431 -4.999 15.867 62 HE1 TYR 10 HE2 TYR 10 -1.946 -8.441 15.940 63 HE2 TYR 10 HE1 TYR 10 -5.735 -7.026 14.552 64 HH TYR 10 HH TYR 10 -4.824 -9.512 14.858 65 H ASP 11 H ASP 11 -3.721 -2.257 18.765 66 HA ASP 11 HA ASP 11 -2.439 -0.684 19.950 67 1HB ASP 11 1HB ASP 11 -4.830 -1.193 20.889 68 2HB ASP 11 2HB ASP 11 -3.958 -1.894 22.259 69 H GLY 12 H GLY 12 -1.237 -3.455 19.898 70 1HA GLY 12 1HA GLY 12 1.153 -3.362 20.963 71 2HA GLY 12 2HA GLY 12 0.260 -3.382 22.475 72 OH TYR 13 OH TYR 13 1.110 -10.263 14.349 73 H TYR 13 H TYR 13 1.276 -5.273 19.718 74 HA TYR 13 HA TYR 13 0.695 -7.721 21.288 75 1HB TYR 13 1HB TYR 13 -0.894 -8.484 19.830 76 2HB TYR 13 2HB TYR 13 -0.848 -6.930 19.050 77 HD1 TYR 13 HD2 TYR 13 0.681 -6.623 17.007 78 HD2 TYR 13 HD1 TYR 13 -0.070 -10.469 18.699 79 HE1 TYR 13 HE2 TYR 13 1.101 -7.698 14.830 80 HE2 TYR 13 HE1 TYR 13 0.414 -11.505 16.542 81 HH TYR 13 HH TYR 13 0.350 -10.788 14.088 82 H CYS 14 H CYS 14 2.339 -6.296 18.518 83 HA CYS 14 HA CYS 14 4.163 -8.487 18.145 84 1HB CYS 14 1HB CYS 14 3.579 -5.986 16.956 85 2HB CYS 14 2HB CYS 14 5.243 -5.846 17.483 86 H LEU 15 H LEU 15 6.022 -9.015 19.172 87 HA LEU 15 HA LEU 15 6.856 -7.453 21.500 88 1HB LEU 15 1HB LEU 15 7.215 -10.201 20.478 89 2HB LEU 15 2HB LEU 15 8.666 -9.517 21.200 90 HG LEU 15 HG LEU 15 7.350 -8.884 23.176 91 1HD1 LEU 15 1HD1 LEU 15 5.211 -10.474 21.725 92 2HD1 LEU 15 2HD1 LEU 15 5.096 -10.031 23.427 93 3HD1 LEU 15 3HD1 LEU 15 5.107 -8.778 22.191 94 1HD2 LEU 15 1HD2 LEU 15 8.557 -11.172 22.826 95 2HD2 LEU 15 2HD2 LEU 15 7.495 -10.964 24.209 96 3HD2 LEU 15 3HD2 LEU 15 6.919 -11.816 22.786 97 H ASN 16 H ASN 16 9.533 -7.786 21.651 98 HA ASN 16 HA ASN 16 11.544 -6.775 20.926 99 1HB ASN 16 1HB ASN 16 10.392 -7.243 18.153 100 2HB ASN 16 2HB ASN 16 12.067 -7.100 18.615 101 1HD2 ASN 16 2HD2 ASN 16 11.010 -10.372 20.582 102 2HD2 ASN 16 1HD2 ASN 16 10.778 -8.786 21.146 103 H GLY 17 H GLY 17 8.973 -5.175 21.181 104 1HA GLY 17 1HA GLY 17 8.289 -2.964 20.745 105 2HA GLY 17 2HA GLY 17 10.002 -2.643 20.474 106 H GLY 18 H GLY 18 8.662 -5.092 18.529 107 1HA GLY 18 1HA GLY 18 9.249 -3.770 16.070 108 2HA GLY 18 2HA GLY 18 8.256 -5.217 16.224 109 H VAL 19 H VAL 19 6.871 -4.350 14.564 110 HA VAL 19 HA VAL 19 4.871 -2.530 15.706 111 HB VAL 19 HB VAL 19 5.487 -2.025 12.840 112 1HG1 VAL 19 1HG1 VAL 19 3.795 -0.772 14.175 113 2HG1 VAL 19 2HG1 VAL 19 5.083 -0.193 15.228 114 3HG1 VAL 19 3HG1 VAL 19 5.047 0.285 13.534 115 1HG2 VAL 19 2HG2 VAL 19 7.380 -1.123 15.040 116 2HG2 VAL 19 3HG2 VAL 19 7.782 -2.224 13.723 117 3HG2 VAL 19 1HG2 VAL 19 7.403 -0.541 13.380 118 H CYS 20 H CYS 20 2.819 -2.684 14.824 119 HA CYS 20 HA CYS 20 2.292 -5.275 13.500 120 1HB CYS 20 1HB CYS 20 0.123 -5.029 14.336 121 2HB CYS 20 2HB CYS 20 1.036 -4.134 15.526 122 H MET 21 H MET 21 1.076 -5.439 11.554 123 HA MET 21 HA MET 21 0.879 -2.896 9.996 124 1HB MET 21 1HB MET 21 1.672 -4.105 7.990 125 2HB MET 21 2HB MET 21 2.872 -4.228 9.266 126 1HG MET 21 1HG MET 21 1.997 -6.447 9.873 127 2HG MET 21 2HG MET 21 0.801 -6.331 8.609 128 1HE MET 21 3HE MET 21 1.378 -5.704 6.317 129 2HE MET 21 1HE MET 21 3.008 -5.037 6.179 130 3HE MET 21 2HE MET 21 2.604 -6.555 5.374 131 H HIS 22 H HIS 22 -0.655 -2.857 8.351 132 HA HIS 22 HA HIS 22 -2.782 -4.951 8.474 133 1HB HIS 22 1HB HIS 22 -3.473 -3.145 9.991 134 2HB HIS 22 2HB HIS 22 -3.162 -1.940 8.742 135 HD1 HIS 22 HD1 HIS 22 -5.834 -1.617 9.170 136 HD2 HIS 22 HD2 HIS 22 -4.809 -5.054 7.249 137 HE1 HIS 22 HE1 HIS 22 -7.918 -2.538 8.307 138 H ILE 23 H ILE 23 -2.771 -5.637 6.384 139 HA ILE 23 HA ILE 23 -2.469 -3.680 4.230 140 HB ILE 23 HB ILE 23 -3.086 -6.506 3.533 141 1HG1 ILE 23 1HG1 ILE 23 -0.594 -7.055 4.104 142 2HG1 ILE 23 2HG1 ILE 23 -0.718 -5.728 5.249 143 1HG2 ILE 23 3HG2 ILE 23 -2.227 -4.596 2.024 144 2HG2 ILE 23 1HG2 ILE 23 -0.681 -4.760 2.855 145 3HG2 ILE 23 2HG2 ILE 23 -1.325 -6.105 1.916 146 1HD1 ILE 23 2HD1 ILE 23 -3.043 -7.241 5.697 147 2HD1 ILE 23 3HD1 ILE 23 -1.780 -8.440 5.449 148 3HD1 ILE 23 1HD1 ILE 23 -1.604 -7.221 6.706 149 H GLU 24 H GLU 24 -4.291 -2.599 3.824 150 HA GLU 24 HA GLU 24 -6.925 -3.478 4.387 151 1HB GLU 24 1HB GLU 24 -5.647 -1.239 3.012 152 2HB GLU 24 2HB GLU 24 -7.080 -1.754 2.125 153 1HG GLU 24 1HG GLU 24 -8.408 -1.634 4.221 154 2HG GLU 24 2HG GLU 24 -6.974 -1.098 5.090 155 H SER 25 H SER 25 -7.882 -5.177 3.562 156 HA SER 25 HA SER 25 -8.657 -5.583 0.941 157 1HB SER 25 1HB SER 25 -5.835 -6.453 1.473 158 2HB SER 25 2HB SER 25 -6.843 -7.623 0.603 159 HG SER 25 HG SER 25 -7.522 -5.409 -0.453 160 H LEU 26 H LEU 26 -6.947 -8.189 2.549 161 HA LEU 26 HA LEU 26 -9.387 -9.648 2.854 162 1HB LEU 26 1HB LEU 26 -6.474 -10.090 3.443 163 2HB LEU 26 2HB LEU 26 -7.600 -11.060 4.376 164 HG LEU 26 HG LEU 26 -8.659 -11.598 2.003 165 1HD1 LEU 26 2HD1 LEU 26 -7.145 -9.892 0.888 166 2HD1 LEU 26 3HD1 LEU 26 -5.789 -10.942 1.267 167 3HD1 LEU 26 1HD1 LEU 26 -7.062 -11.501 0.183 168 1HD2 LEU 26 1HD2 LEU 26 -6.171 -12.683 3.293 169 2HD2 LEU 26 2HD2 LEU 26 -7.763 -13.420 3.162 170 3HD2 LEU 26 3HD2 LEU 26 -6.702 -13.352 1.754 171 H ASP 27 H ASP 27 -8.142 -7.144 4.446 172 HA ASP 27 HA ASP 27 -8.511 -6.154 6.526 173 1HB ASP 27 1HB ASP 27 -10.894 -6.868 5.832 174 2HB ASP 27 2HB ASP 27 -10.677 -8.266 6.882 175 H SER 28 H SER 28 -6.929 -8.806 6.241 176 HA SER 28 HA SER 28 -7.198 -9.983 8.866 177 1HB SER 28 1HB SER 28 -4.863 -10.282 6.916 178 2HB SER 28 2HB SER 28 -5.380 -11.447 8.153 179 HG SER 28 HG SER 28 -6.436 -12.148 6.402 180 OH TYR 29 OH TYR 29 -8.649 -5.023 10.127 181 H TYR 29 H TYR 29 -4.612 -10.339 9.739 182 HA TYR 29 HA TYR 29 -3.354 -7.682 9.962 183 1HB TYR 29 1HB TYR 29 -4.666 -9.129 12.298 184 2HB TYR 29 2HB TYR 29 -3.626 -7.708 12.479 185 HD1 TYR 29 HD2 TYR 29 -4.260 -5.685 10.985 186 HD2 TYR 29 HD1 TYR 29 -6.962 -8.805 11.945 187 HE1 TYR 29 HE2 TYR 29 -6.102 -4.336 10.171 188 HE2 TYR 29 HE1 TYR 29 -8.821 -7.474 11.079 189 HH TYR 29 HH TYR 29 -8.340 -4.118 10.047 190 H THR 30 H THR 30 -1.251 -7.728 10.888 191 HA THR 30 HA THR 30 -0.279 -10.244 11.981 192 HB THR 30 HB THR 30 0.738 -11.080 10.061 193 HG1 THR 30 HG1 THR 30 1.592 -8.411 9.599 194 1HG2 THR 30 2HG2 THR 30 -0.487 -8.575 8.761 195 2HG2 THR 30 3HG2 THR 30 0.328 -9.840 7.853 196 3HG2 THR 30 1HG2 THR 30 -1.164 -10.202 8.707 197 H CYS 31 H CYS 31 2.223 -10.081 11.873 198 HA CYS 31 HA CYS 31 2.853 -7.584 13.338 199 1HB CYS 31 1HB CYS 31 3.407 -10.391 13.680 200 2HB CYS 31 2HB CYS 31 4.922 -9.542 13.526 201 H ASN 32 H ASN 32 5.070 -6.839 13.225 202 HA ASN 32 HA ASN 32 6.357 -7.279 10.586 203 1HB ASN 32 1HB ASN 32 4.806 -5.090 10.965 204 2HB ASN 32 2HB ASN 32 6.276 -4.478 11.711 205 1HD2 ASN 32 2HD2 ASN 32 6.064 -4.224 7.807 206 2HD2 ASN 32 1HD2 ASN 32 4.766 -4.198 8.901 207 H CYS 33 H CYS 33 7.835 -8.529 11.771 208 HA CYS 33 HA CYS 33 9.397 -7.295 13.923 209 1HB CYS 33 1HB CYS 33 10.281 -9.770 12.495 210 2HB CYS 33 2HB CYS 33 10.316 -9.422 14.211 211 H VAL 34 H VAL 34 11.885 -8.717 12.901 212 HA VAL 34 HA VAL 34 12.601 -7.257 10.498 213 HB VAL 34 HB VAL 34 14.481 -6.283 12.502 214 1HG1 VAL 34 1HG1 VAL 34 14.227 -5.463 10.191 215 2HG1 VAL 34 2HG1 VAL 34 12.610 -4.884 10.582 216 3HG1 VAL 34 3HG1 VAL 34 14.017 -4.164 11.359 217 1HG2 VAL 34 2HG2 VAL 34 12.228 -6.297 13.875 218 2HG2 VAL 34 3HG2 VAL 34 13.152 -4.810 13.794 219 3HG2 VAL 34 1HG2 VAL 34 11.747 -5.026 12.762 220 H ILE 35 H ILE 35 15.261 -7.042 10.778 221 HA ILE 35 HA ILE 35 16.156 -9.693 10.264 222 HB ILE 35 HB ILE 35 17.058 -7.745 9.132 223 1HG1 ILE 35 1HG1 ILE 35 19.425 -8.197 10.815 224 2HG1 ILE 35 2HG1 ILE 35 18.655 -9.663 10.234 225 1HG2 ILE 35 1HG2 ILE 35 17.528 -6.807 11.987 226 2HG2 ILE 35 2HG2 ILE 35 18.455 -6.103 10.669 227 3HG2 ILE 35 3HG2 ILE 35 16.706 -5.959 10.690 228 1HD1 ILE 35 1HD1 ILE 35 19.277 -7.333 8.401 229 2HD1 ILE 35 2HD1 ILE 35 20.429 -8.633 8.687 230 3HD1 ILE 35 3HD1 ILE 35 18.872 -8.985 7.947 231 H GLY 36 H GLY 36 15.254 -10.068 12.719 232 1HA GLY 36 1HA GLY 36 16.992 -11.449 14.200 233 2HA GLY 36 2HA GLY 36 17.462 -9.835 14.712 234 OH TYR 37 OH TYR 37 15.834 -5.307 18.201 235 H TYR 37 H TYR 37 14.290 -10.635 13.739 236 HA TYR 37 HA TYR 37 13.226 -10.935 16.449 237 1HB TYR 37 1HB TYR 37 12.440 -8.741 14.540 238 2HB TYR 37 2HB TYR 37 11.666 -9.062 16.086 239 HD1 TYR 37 HD2 TYR 37 13.498 -9.151 18.179 240 HD2 TYR 37 HD1 TYR 37 14.164 -7.183 14.467 241 HE1 TYR 37 HE2 TYR 37 14.832 -7.503 19.254 242 HE2 TYR 37 HE1 TYR 37 15.282 -5.337 15.591 243 HH TYR 37 HH TYR 37 15.398 -4.469 18.028 244 H SER 38 H SER 38 12.001 -12.683 16.291 245 HA SER 38 HA SER 38 9.882 -12.771 14.267 246 1HB SER 38 1HB SER 38 11.381 -15.298 14.089 247 2HB SER 38 2HB SER 38 10.893 -14.208 12.776 248 HG SER 38 HG SER 38 12.655 -12.950 13.162 249 H GLY 39 H GLY 39 9.218 -15.441 14.350 250 1HA GLY 39 1HA GLY 39 8.734 -17.246 15.947 251 2HA GLY 39 2HA GLY 39 8.912 -16.080 17.256 252 H ASP 40 H ASP 40 6.784 -16.651 18.063 253 HA ASP 40 HA ASP 40 4.364 -16.775 16.704 254 1HB ASP 40 1HB ASP 40 4.611 -16.936 19.212 255 2HB ASP 40 2HB ASP 40 4.890 -15.196 19.284 256 NH1 ARG 41 NH2 ARG 41 2.836 -12.394 23.087 257 NH2 ARG 41 NH1 ARG 41 0.944 -11.222 22.566 258 H ARG 41 H ARG 41 4.807 -13.753 18.429 259 HA ARG 41 HA ARG 41 3.735 -12.337 16.086 260 1HB ARG 41 1HB ARG 41 4.743 -10.884 18.551 261 2HB ARG 41 2HB ARG 41 3.279 -10.597 17.624 262 1HG ARG 41 1HG ARG 41 2.499 -12.913 18.551 263 2HG ARG 41 2HG ARG 41 3.793 -12.714 19.733 264 1HD ARG 41 1HD ARG 41 2.040 -10.379 19.441 265 2HD ARG 41 2HD ARG 41 1.226 -11.807 20.040 266 HE ARG 41 HE ARG 41 3.578 -10.545 21.358 267 1HH1 ARG 41 1HH2 ARG 41 3.781 -12.638 22.866 268 2HH1 ARG 41 2HH2 ARG 41 2.396 -12.784 23.895 269 1HH2 ARG 41 1HH1 ARG 41 0.470 -10.586 21.953 270 2HH2 ARG 41 2HH1 ARG 41 0.471 -11.587 23.368 271 H CYS 42 H CYS 42 6.376 -11.854 18.325 272 HA CYS 42 HA CYS 42 8.559 -12.038 16.564 273 1HB CYS 42 1HB CYS 42 7.998 -9.153 17.283 274 2HB CYS 42 2HB CYS 42 9.303 -9.778 16.291 275 H GLN 43 H GLN 43 8.795 -13.187 18.590 276 HA GLN 43 HA GLN 43 9.705 -11.410 20.826 277 1HB GLN 43 1HB GLN 43 9.276 -13.289 22.262 278 2HB GLN 43 2HB GLN 43 7.885 -13.136 21.197 279 1HG GLN 43 1HG GLN 43 9.362 -14.775 19.669 280 2HG GLN 43 2HG GLN 43 10.004 -15.240 21.240 281 1HE2 GLN 43 2HE2 GLN 43 6.277 -16.411 20.165 282 2HE2 GLN 43 1HE2 GLN 43 7.274 -15.523 19.115 283 H THR 44 H THR 44 10.742 -13.628 18.462 284 HA THR 44 HA THR 44 13.033 -14.656 19.839 285 HB THR 44 HB THR 44 12.465 -14.569 16.833 286 HG1 THR 44 HG1 THR 44 11.754 -16.264 18.999 287 1HG2 THR 44 2HG2 THR 44 14.696 -15.554 18.338 288 2HG2 THR 44 3HG2 THR 44 13.702 -16.964 17.986 289 3HG2 THR 44 1HG2 THR 44 14.311 -15.964 16.671 290 NH1 ARG 45 NH2 ARG 45 17.061 -9.209 24.669 291 NH2 ARG 45 NH1 ARG 45 16.292 -7.112 24.196 292 H ARG 45 H ARG 45 14.114 -12.821 20.595 293 HA ARG 45 HA ARG 45 15.370 -10.949 18.681 294 1HB ARG 45 1HB ARG 45 14.284 -10.306 20.886 295 2HB ARG 45 2HB ARG 45 15.508 -11.254 21.721 296 1HG ARG 45 1HG ARG 45 17.214 -9.805 21.141 297 2HG ARG 45 2HG ARG 45 16.354 -9.169 19.746 298 1HD ARG 45 1HD ARG 45 16.328 -7.520 21.623 299 2HD ARG 45 2HD ARG 45 14.695 -8.103 21.285 300 HE ARG 45 HE ARG 45 14.896 -9.587 23.248 301 1HH1 ARG 45 1HH2 ARG 45 17.050 -10.190 24.473 302 2HH1 ARG 45 2HH2 ARG 45 17.648 -8.852 25.396 303 1HH2 ARG 45 1HH1 ARG 45 15.704 -6.520 23.646 304 2HH2 ARG 45 2HH1 ARG 45 16.865 -6.720 24.915 305 H ASP 46 H ASP 46 16.828 -12.587 17.723 306 HA ASP 46 HA ASP 46 18.805 -13.819 19.622 307 1HB ASP 46 1HB ASP 46 17.604 -14.629 17.033 308 2HB ASP 46 2HB ASP 46 19.311 -15.020 17.216 309 H LEU 47 H LEU 47 20.955 -14.367 18.527 310 HA LEU 47 HA LEU 47 22.436 -11.952 18.156 311 1HB LEU 47 1HB LEU 47 24.274 -13.568 17.437 312 2HB LEU 47 2HB LEU 47 23.545 -13.958 18.991 313 HG LEU 47 HG LEU 47 22.058 -15.154 16.787 314 1HD1 LEU 47 2HD1 LEU 47 24.993 -15.870 17.114 315 2HD1 LEU 47 3HD1 LEU 47 23.826 -16.829 16.210 316 3HD1 LEU 47 1HD1 LEU 47 24.239 -15.206 15.669 317 1HD2 LEU 47 2HD2 LEU 47 21.905 -15.772 19.195 318 2HD2 LEU 47 3HD2 LEU 47 22.337 -17.155 18.194 319 3HD2 LEU 47 1HD2 LEU 47 23.574 -16.334 19.142 320 NH1 ARG 48 NH1 ARG 48 18.805 -13.839 10.889 321 NH2 ARG 48 NH2 ARG 48 17.185 -15.072 11.925 322 H ARG 48 H ARG 48 20.970 -11.087 16.451 323 HA ARG 48 HA ARG 48 22.169 -11.628 13.898 324 1HB ARG 48 1HB ARG 48 19.396 -11.297 13.352 325 2HB ARG 48 2HB ARG 48 20.358 -12.725 13.084 326 1HG ARG 48 1HG ARG 48 19.918 -13.355 15.526 327 2HG ARG 48 2HG ARG 48 18.760 -12.037 15.590 328 1HD ARG 48 1HD ARG 48 18.624 -14.681 14.227 329 2HD ARG 48 2HD ARG 48 17.315 -13.669 14.830 330 HE ARG 48 HE ARG 48 17.780 -12.246 12.711 331 1HH1 ARG 48 1HH1 ARG 48 19.401 -13.037 10.888 332 2HH1 ARG 48 2HH1 ARG 48 18.831 -14.483 10.124 333 1HH2 ARG 48 1HH2 ARG 48 16.567 -15.195 12.701 334 2HH2 ARG 48 2HH2 ARG 48 17.186 -15.735 11.175 335 CH2 TRP 49 CH2 TRP 49 17.851 -2.727 12.678 336 H TRP 49 H TRP 49 19.285 -9.882 14.408 337 HA TRP 49 HA TRP 49 19.770 -7.644 13.051 338 1HB TRP 49 1HB TRP 49 17.644 -7.700 14.122 339 2HB TRP 49 2HB TRP 49 18.388 -8.007 15.681 340 HD1 TRP 49 HD1 TRP 49 17.547 -6.209 17.019 341 HE1 TRP 49 HE1 TRP 49 16.770 -3.883 16.531 342 HE3 TRP 49 HE3 TRP 49 19.648 -5.551 12.580 343 HZ2 TRP 49 HZ2 TRP 49 16.576 -2.209 14.300 344 HZ3 TRP 49 HZ3 TRP 49 19.060 -3.627 11.168 345 HH2 TRP 49 HH2 TRP 49 17.643 -1.841 12.099 346 CH2 TRP 50 CH2 TRP 50 21.275 -11.017 20.209 347 H TRP 50 H TRP 50 20.142 -7.467 16.457 348 HA TRP 50 HA TRP 50 21.787 -5.145 16.293 349 1HB TRP 50 1HB TRP 50 22.615 -6.270 18.719 350 2HB TRP 50 2HB TRP 50 21.240 -5.202 18.521 351 HD1 TRP 50 HD1 TRP 50 18.797 -6.303 18.612 352 HE1 TRP 50 HE1 TRP 50 18.033 -8.667 18.958 353 HE3 TRP 50 HE3 TRP 50 23.206 -8.384 19.377 354 HZ2 TRP 50 HZ2 TRP 50 19.172 -11.153 19.834 355 HZ3 TRP 50 HZ3 TRP 50 23.373 -10.637 20.334 356 HH2 TRP 50 HH2 TRP 50 21.347 -12.001 20.647 357 H GLU 51 H GLU 51 23.093 -8.175 17.622 358 HA GLU 51 HA GLU 51 25.223 -9.124 17.375 359 1HB GLU 51 1HB GLU 51 24.307 -8.330 14.714 360 2HB GLU 51 2HB GLU 51 26.054 -8.166 14.824 361 1HG GLU 51 1HG GLU 51 24.608 -10.666 15.755 362 2HG GLU 51 2HG GLU 51 25.176 -10.470 14.100 363 H LEU 52 H LEU 52 27.574 -8.522 16.632 364 HA LEU 52 HA LEU 52 28.387 -6.329 18.199 365 1HB LEU 52 1HB LEU 52 30.022 -7.629 16.000 366 2HB LEU 52 2HB LEU 52 30.624 -6.892 17.480 367 HG LEU 52 HG LEU 52 29.015 -9.453 17.227 368 1HD1 LEU 52 1HD1 LEU 52 31.574 -9.349 16.857 369 2HD1 LEU 52 2HD1 LEU 52 31.681 -8.997 18.578 370 3HD1 LEU 52 3HD1 LEU 52 30.982 -10.520 18.032 371 1HD2 LEU 52 1HD2 LEU 52 29.654 -7.716 19.615 372 2HD2 LEU 52 2HD2 LEU 52 28.123 -8.474 19.187 373 3HD2 LEU 52 3HD2 LEU 52 29.450 -9.454 19.801 374 NH1 ARG 53 NH1 ARG 53 24.028 -0.425 13.461 375 NH2 ARG 53 NH2 ARG 53 23.900 -1.163 11.300 376 H ARG 53 H ARG 53 27.670 -6.601 14.810 377 HA ARG 53 HA ARG 53 27.696 -5.010 13.087 378 1HB ARG 53 1HB ARG 53 27.129 -3.412 15.601 379 2HB ARG 53 2HB ARG 53 27.323 -2.576 14.067 380 1HG ARG 53 1HG ARG 53 25.499 -4.956 14.196 381 2HG ARG 53 2HG ARG 53 24.932 -3.423 14.848 382 1HD ARG 53 1HD ARG 53 25.977 -3.869 12.026 383 2HD ARG 53 2HD ARG 53 24.291 -3.638 12.478 384 HE ARG 53 HE ARG 53 26.390 -1.531 12.791 385 1HH1 ARG 53 1HH1 ARG 53 24.490 -0.456 14.349 386 2HH1 ARG 53 2HH1 ARG 53 23.233 0.168 13.332 387 1HH2 ARG 53 1HH2 ARG 53 24.264 -1.746 10.574 388 2HH2 ARG 53 ARG 53 23.105 -0.582 11.125 Start of MODEL 10 Raw file had 388 H/Q atoms Start of MODEL 10 1 1H ASN 1 3H ASN 1 -2.997 4.295 4.528 2 2H ASN 1 1H ASN 1 -2.049 4.772 3.203 3 3H ASN 1 2H ASN 1 -3.700 5.162 3.250 4 HA ASN 1 HA ASN 1 -4.376 3.142 2.601 5 1HB ASN 1 1HB ASN 1 -2.311 4.043 1.113 6 2HB ASN 1 2HB ASN 1 -1.558 2.567 1.712 7 1HD2 ASN 1 2HD2 ASN 1 -3.153 0.848 -0.917 8 2HD2 ASN 1 1HD2 ASN 1 -1.690 1.265 -0.163 9 H SER 2 H SER 2 -4.333 0.862 2.805 10 HA SER 2 HA SER 2 -4.070 -1.097 4.058 11 1HB SER 2 1HB SER 2 -1.657 -0.556 2.997 12 2HB SER 2 2HB SER 2 -1.233 -0.310 4.702 13 HG SER 2 HG SER 2 -2.317 -2.344 5.104 14 OH TYR 3 OH TYR 3 -10.355 2.249 9.340 15 H TYR 3 H TYR 3 -4.568 1.584 5.425 16 HA TYR 3 HA TYR 3 -4.850 2.345 7.616 17 1HB TYR 3 1HB TYR 3 -5.182 -0.572 7.647 18 2HB TYR 3 2HB TYR 3 -4.641 0.055 9.201 19 HD1 TYR 3 HD1 TYR 3 -5.945 1.920 10.287 20 HD2 TYR 3 HD2 TYR 3 -7.414 -0.162 6.885 21 HE1 TYR 3 HE1 TYR 3 -8.201 2.752 10.756 22 HE2 TYR 3 HE2 TYR 3 -9.675 0.669 7.351 23 HH TYR 3 HH TYR 3 -10.900 1.511 9.624 24 HA PRO 4 HA PRO 4 -0.387 2.407 8.591 25 1HB PRO 4 1HB PRO 4 -0.935 4.629 10.398 26 2HB PRO 4 2HB PRO 4 -0.015 4.652 8.894 27 1HG PRO 4 1HG PRO 4 -2.602 5.768 9.324 28 2HG PRO 4 2HG PRO 4 -1.775 5.602 7.774 29 1HD PRO 4 2HD PRO 4 -4.044 4.084 8.802 30 2HD PRO 4 1HD PRO 4 -3.347 4.056 7.168 31 H GLY 5 H GLY 5 -0.054 0.707 9.902 32 1HA GLY 5 1HA GLY 5 0.514 -0.060 12.128 33 2HA GLY 5 2HA GLY 5 -0.660 1.074 12.785 34 H CYS 6 H CYS 6 -2.177 -0.071 13.780 35 HA CYS 6 HA CYS 6 -3.785 -1.960 12.294 36 1HB CYS 6 1HB CYS 6 -3.373 -3.673 14.230 37 2HB CYS 6 2HB CYS 6 -2.151 -3.527 12.992 38 HA PRO 7 HA PRO 7 -7.103 -0.520 14.812 39 1HB PRO 7 1HB PRO 7 -7.404 -3.334 15.832 40 2HB PRO 7 2HB PRO 7 -8.612 -2.303 15.053 41 1HG PRO 7 1HG PRO 7 -7.179 -4.408 13.804 42 2HG PRO 7 2HG PRO 7 -8.083 -3.147 12.962 43 1HD PRO 7 2HD PRO 7 -5.241 -3.529 13.020 44 2HD PRO 7 1HD PRO 7 -6.129 -2.228 12.208 45 H SER 8 H SER 8 -6.358 0.675 16.471 46 HA SER 8 HA SER 8 -4.383 0.189 18.306 47 1HB SER 8 1HB SER 8 -5.536 1.735 19.871 48 2HB SER 8 2HB SER 8 -5.683 2.331 18.203 49 HG SER 8 HG SER 8 -7.745 1.872 18.215 50 H SER 9 H SER 9 -7.514 -1.339 18.355 51 HA SER 9 HA SER 9 -7.678 -2.131 21.042 52 1HB SER 9 1HB SER 9 -9.409 -2.813 19.393 53 2HB SER 9 2HB SER 9 -8.225 -3.816 18.532 54 HG SER 9 HG SER 9 -8.915 -4.072 21.277 55 OH TYR 10 OH TYR 10 -5.479 -8.574 15.179 56 H TYR 10 H TYR 10 -5.292 -2.733 18.785 57 HA TYR 10 HA TYR 10 -4.213 -5.143 19.993 58 1HB TYR 10 1HB TYR 10 -3.565 -3.339 17.664 59 2HB TYR 10 2HB TYR 10 -2.319 -4.425 18.262 60 HD1 TYR 10 HD2 TYR 10 -3.332 -6.903 18.781 61 HD2 TYR 10 HD1 TYR 10 -4.887 -4.157 15.944 62 HE1 TYR 10 HE2 TYR 10 -4.093 -8.760 17.415 63 HE2 TYR 10 HE1 TYR 10 -5.740 -6.005 14.615 64 HH TYR 10 HH TYR 10 -4.915 -9.334 15.341 65 H ASP 11 H ASP 11 -2.739 -2.069 19.099 66 HA ASP 11 HA ASP 11 -0.792 -1.087 19.970 67 1HB ASP 11 1HB ASP 11 -3.026 -0.336 21.026 68 2HB ASP 11 2HB ASP 11 -2.500 -1.241 22.451 69 H GLY 12 H GLY 12 -0.702 -4.013 20.182 70 1HA GLY 12 1HA GLY 12 1.509 -4.161 22.051 71 2HA GLY 12 2HA GLY 12 0.096 -5.010 22.657 72 OH TYR 13 OH TYR 13 -1.218 -12.747 16.152 73 H TYR 13 H TYR 13 -0.685 -5.834 19.870 74 HA TYR 13 HA TYR 13 0.189 -8.393 19.706 75 1HB TYR 13 1HB TYR 13 -1.236 -6.917 18.001 76 2HB TYR 13 2HB TYR 13 0.284 -6.877 17.112 77 HD1 TYR 13 HD2 TYR 13 -2.178 -9.119 18.703 78 HD2 TYR 13 HD1 TYR 13 1.058 -8.838 15.963 79 HE1 TYR 13 HE2 TYR 13 -2.602 -11.430 17.965 80 HE2 TYR 13 HE1 TYR 13 0.663 -11.151 15.247 81 HH TYR 13 HH TYR 13 -2.034 -13.049 16.557 82 H CYS 14 H CYS 14 2.005 -5.879 17.887 83 HA CYS 14 HA CYS 14 4.059 -7.661 17.120 84 1HB CYS 14 1HB CYS 14 3.732 -4.720 17.285 85 2HB CYS 14 2HB CYS 14 5.382 -5.287 17.222 86 H LEU 15 H LEU 15 5.554 -8.624 18.029 87 HA LEU 15 HA LEU 15 6.449 -8.137 20.791 88 1HB LEU 15 1HB LEU 15 6.247 -10.279 18.784 89 2HB LEU 15 2HB LEU 15 7.741 -10.310 19.699 90 HG LEU 15 HG LEU 15 6.655 -10.656 21.709 91 1HD1 LEU 15 1HD1 LEU 15 4.364 -9.303 20.429 92 2HD1 LEU 15 2HD1 LEU 15 3.947 -10.593 21.542 93 3HD1 LEU 15 3HD1 LEU 15 4.917 -9.233 22.094 94 1HD2 LEU 15 1HD2 LEU 15 6.411 -12.387 19.748 95 2HD2 LEU 15 2HD2 LEU 15 5.640 -12.693 21.302 96 3HD2 LEU 15 3HD2 LEU 15 4.694 -12.064 19.950 97 H ASN 16 H ASN 16 8.532 -7.961 21.380 98 HA ASN 16 HA ASN 16 10.703 -6.989 21.128 99 1HB ASN 16 1HB ASN 16 10.793 -9.013 18.912 100 2HB ASN 16 2HB ASN 16 12.035 -8.605 20.088 101 1HD2 ASN 16 2HD2 ASN 16 9.875 -11.664 21.024 102 2HD2 ASN 16 1HD2 ASN 16 10.490 -11.194 19.514 103 H GLY 17 H GLY 17 10.114 -4.920 20.304 104 1HA GLY 17 1HA GLY 17 9.895 -3.255 18.621 105 2HA GLY 17 2HA GLY 17 11.506 -3.852 18.248 106 H GLY 18 H GLY 18 8.087 -4.250 17.495 107 1HA GLY 18 1HA GLY 18 8.894 -5.081 14.742 108 2HA GLY 18 2HA GLY 18 7.680 -6.017 15.609 109 H VAL 19 H VAL 19 7.686 -4.186 13.141 110 HA VAL 19 HA VAL 19 5.800 -2.114 13.931 111 HB VAL 19 HB VAL 19 6.188 -2.772 11.051 112 1HG1 VAL 19 1HG1 VAL 19 5.060 -0.706 12.020 113 2HG1 VAL 19 2HG1 VAL 19 6.645 -0.202 12.594 114 3HG1 VAL 19 3HG1 VAL 19 6.347 -0.372 10.867 115 1HG2 VAL 19 2HG2 VAL 19 8.453 -1.998 12.912 116 2HG2 VAL 19 3HG2 VAL 19 8.409 -3.328 11.759 117 3HG2 VAL 19 1HG2 VAL 19 8.505 -1.670 11.183 118 H CYS 20 H CYS 20 3.669 -2.454 14.078 119 HA CYS 20 HA CYS 20 2.559 -4.968 13.145 120 1HB CYS 20 1HB CYS 20 0.765 -4.462 14.456 121 2HB CYS 20 2HB CYS 20 1.942 -3.410 15.195 122 H MET 21 H MET 21 1.222 -5.373 11.463 123 HA MET 21 HA MET 21 0.693 -3.095 9.585 124 1HB MET 21 1HB MET 21 1.531 -5.973 9.101 125 2HB MET 21 2HB MET 21 0.718 -5.067 7.839 126 1HG MET 21 1HG MET 21 2.700 -3.335 8.730 127 2HG MET 21 2HG MET 21 3.460 -4.899 8.817 128 1HE MET 21 3HE MET 21 1.092 -2.941 6.953 129 2HE MET 21 1HE MET 21 2.115 -2.219 5.714 130 3HE MET 21 2HE MET 21 1.120 -3.623 5.327 131 H HIS 22 H HIS 22 -1.079 -3.354 8.161 132 HA HIS 22 HA HIS 22 -3.235 -5.223 9.014 133 1HB HIS 22 1HB HIS 22 -3.658 -3.300 10.420 134 2HB HIS 22 2HB HIS 22 -3.446 -2.190 9.066 135 HD1 HIS 22 HD1 HIS 22 -6.001 -1.596 9.631 136 HD2 HIS 22 HD2 HIS 22 -5.487 -5.355 8.164 137 HE1 HIS 22 HE1 HIS 22 -8.229 -2.393 9.055 138 H ILE 23 H ILE 23 -3.616 -6.129 7.050 139 HA ILE 23 HA ILE 23 -3.720 -4.410 4.685 140 HB ILE 23 HB ILE 23 -4.334 -7.361 4.680 141 1HG1 ILE 23 1HG1 ILE 23 -1.638 -7.309 4.196 142 2HG1 ILE 23 2HG1 ILE 23 -1.767 -6.083 5.445 143 1HG2 ILE 23 3HG2 ILE 23 -4.391 -5.757 2.639 144 2HG2 ILE 23 1HG2 ILE 23 -2.636 -5.694 2.782 145 3HG2 ILE 23 2HG2 ILE 23 -3.439 -7.225 2.443 146 1HD1 ILE 23 2HD1 ILE 23 -3.256 -7.854 6.681 147 2HD1 ILE 23 3HD1 ILE 23 -2.503 -9.004 5.584 148 3HD1 ILE 23 1HD1 ILE 23 -1.512 -8.067 6.695 149 H GLU 24 H GLU 24 -5.573 -3.460 4.258 150 HA GLU 24 HA GLU 24 -8.044 -4.005 5.495 151 1HB GLU 24 1HB GLU 24 -7.053 -2.119 3.704 152 2HB GLU 24 2HB GLU 24 -8.288 -2.944 2.755 153 1HG GLU 24 1HG GLU 24 -9.828 -2.661 4.793 154 2HG GLU 24 2HG GLU 24 -8.620 -1.544 5.424 155 H SER 25 H SER 25 -6.648 -5.431 2.619 156 HA SER 25 HA SER 25 -8.799 -6.493 1.280 157 1HB SER 25 1HB SER 25 -6.187 -7.857 2.093 158 2HB SER 25 2HB SER 25 -7.325 -8.576 0.937 159 HG SER 25 HG SER 25 -7.134 -6.077 0.252 160 H LEU 26 H LEU 26 -7.211 -8.733 3.484 161 HA LEU 26 HA LEU 26 -9.726 -9.994 4.048 162 1HB LEU 26 1HB LEU 26 -6.912 -10.442 5.113 163 2HB LEU 26 2HB LEU 26 -8.272 -11.476 5.521 164 HG LEU 26 HG LEU 26 -8.393 -11.346 2.742 165 1HD1 LEU 26 2HD1 LEU 26 -6.144 -10.242 2.786 166 2HD1 LEU 26 3HD1 LEU 26 -5.502 -11.656 3.616 167 3HD1 LEU 26 1HD1 LEU 26 -6.118 -11.804 1.974 168 1HD2 LEU 26 1HD2 LEU 26 -7.089 -13.358 4.605 169 2HD2 LEU 26 2HD2 LEU 26 -8.757 -13.363 4.043 170 3HD2 LEU 26 3HD2 LEU 26 -7.448 -13.682 2.911 171 H ASP 27 H ASP 27 -8.524 -7.228 5.198 172 HA ASP 27 HA ASP 27 -8.832 -6.014 7.202 173 1HB ASP 27 1HB ASP 27 -10.991 -8.004 7.957 174 2HB ASP 27 2HB ASP 27 -11.020 -6.249 8.084 175 H SER 28 H SER 28 -7.438 -8.826 7.079 176 HA SER 28 HA SER 28 -7.601 -9.767 9.795 177 1HB SER 28 1HB SER 28 -6.802 -10.944 7.497 178 2HB SER 28 2HB SER 28 -5.214 -10.404 8.079 179 HG SER 28 HG SER 28 -6.278 -11.243 10.208 180 OH TYR 29 OH TYR 29 -8.838 -4.919 11.278 181 H TYR 29 H TYR 29 -4.898 -10.226 10.411 182 HA TYR 29 HA TYR 29 -3.588 -7.595 10.462 183 1HB TYR 29 1HB TYR 29 -4.574 -8.983 12.993 184 2HB TYR 29 2HB TYR 29 -3.541 -7.548 12.972 185 HD1 TYR 29 HD2 TYR 29 -4.386 -5.514 11.678 186 HD2 TYR 29 HD1 TYR 29 -6.924 -8.729 12.789 187 HE1 TYR 29 HE2 TYR 29 -6.316 -4.208 11.041 188 HE2 TYR 29 HE1 TYR 29 -8.885 -7.386 12.201 189 HH TYR 29 HH TYR 29 -9.388 -4.850 12.061 190 H THR 30 H THR 30 -1.436 -7.642 11.015 191 HA THR 30 HA THR 30 -0.230 -10.156 11.922 192 HB THR 30 HB THR 30 -0.488 -10.374 9.372 193 HG1 THR 30 HG1 THR 30 1.214 -11.394 10.415 194 1HG2 THR 30 2HG2 THR 30 0.063 -7.759 9.144 195 2HG2 THR 30 3HG2 THR 30 1.737 -8.301 9.240 196 3HG2 THR 30 1HG2 THR 30 0.700 -8.867 7.935 197 H CYS 31 H CYS 31 2.360 -9.524 11.113 198 HA CYS 31 HA CYS 31 2.934 -6.802 11.959 199 1HB CYS 31 1HB CYS 31 3.171 -9.144 13.760 200 2HB CYS 31 2HB CYS 31 4.601 -8.151 13.697 201 H ASN 32 H ASN 32 5.074 -6.175 11.662 202 HA ASN 32 HA ASN 32 6.592 -7.996 9.852 203 1HB ASN 32 1HB ASN 32 5.873 -5.845 8.828 204 2HB ASN 32 2HB ASN 32 6.653 -4.956 10.136 205 1HD2 ASN 32 2HD2 ASN 32 9.076 -6.930 7.450 206 2HD2 ASN 32 1HD2 ASN 32 7.537 -7.557 7.794 207 H CYS 33 H CYS 33 7.864 -9.080 11.320 208 HA CYS 33 HA CYS 33 9.193 -7.796 13.512 209 1HB CYS 33 1HB CYS 33 10.344 -10.206 12.114 210 2HB CYS 33 2HB CYS 33 10.254 -9.884 13.832 211 H VAL 34 H VAL 34 11.930 -8.828 12.904 212 HA VAL 34 HA VAL 34 12.791 -7.345 10.564 213 HB VAL 34 HB VAL 34 14.199 -6.124 12.834 214 1HG1 VAL 34 1HG1 VAL 34 14.318 -5.454 10.450 215 2HG1 VAL 34 2HG1 VAL 34 12.630 -4.962 10.520 216 3HG1 VAL 34 3HG1 VAL 34 13.835 -4.122 11.493 217 1HG2 VAL 34 2HG2 VAL 34 11.708 -6.301 13.718 218 2HG2 VAL 34 3HG2 VAL 34 12.538 -4.761 13.783 219 3HG2 VAL 34 1HG2 VAL 34 11.383 -5.089 12.490 220 H ILE 35 H ILE 35 15.333 -6.746 11.268 221 HA ILE 35 HA ILE 35 16.635 -9.277 10.992 222 HB ILE 35 HB ILE 35 17.503 -7.373 9.858 223 1HG1 ILE 35 1HG1 ILE 35 19.454 -7.199 12.093 224 2HG1 ILE 35 2HG1 ILE 35 19.161 -8.795 11.423 225 1HG2 ILE 35 1HG2 ILE 35 16.878 -6.073 12.487 226 2HG2 ILE 35 2HG2 ILE 35 18.229 -5.381 11.585 227 3HG2 ILE 35 3HG2 ILE 35 16.639 -5.455 10.859 228 1HD1 ILE 35 1HD1 ILE 35 19.726 -6.397 9.662 229 2HD1 ILE 35 2HD1 ILE 35 21.019 -7.405 10.301 230 3HD1 ILE 35 3HD1 ILE 35 19.810 -8.101 9.228 231 H GLY 36 H GLY 36 15.419 -9.718 13.257 232 1HA GLY 36 1HA GLY 36 17.159 -10.732 15.077 233 2HA GLY 36 2HA GLY 36 17.079 -9.064 15.606 234 OH TYR 37 OH TYR 37 14.725 -5.259 18.727 235 H TYR 37 H TYR 37 14.398 -10.229 14.025 236 HA TYR 37 HA TYR 37 12.954 -11.075 16.422 237 1HB TYR 37 1HB TYR 37 12.069 -8.837 14.598 238 2HB TYR 37 2HB TYR 37 11.231 -9.383 16.043 239 HD1 TYR 37 HD2 TYR 37 12.923 -9.361 18.268 240 HD2 TYR 37 HD1 TYR 37 13.500 -7.016 14.772 241 HE1 TYR 37 HE2 TYR 37 14.014 -7.665 19.563 242 HE2 TYR 37 HE1 TYR 37 14.268 -5.135 16.088 243 HH TYR 37 HH TYR 37 13.993 -4.838 19.185 244 H SER 38 H SER 38 11.985 -12.932 15.874 245 HA SER 38 HA SER 38 10.451 -13.105 13.379 246 1HB SER 38 1HB SER 38 13.139 -13.776 13.179 247 2HB SER 38 2HB SER 38 12.394 -15.349 13.525 248 HG SER 38 HG SER 38 11.347 -13.499 11.652 249 H GLY 39 H GLY 39 10.422 -15.956 13.209 250 1HA GLY 39 1HA GLY 39 9.679 -17.900 14.414 251 2HA GLY 39 2HA GLY 39 9.570 -16.922 15.877 252 H ASP 40 H ASP 40 7.414 -17.670 16.307 253 HA ASP 40 HA ASP 40 5.217 -17.779 14.586 254 1HB ASP 40 1HB ASP 40 5.366 -16.650 17.431 255 2HB ASP 40 2HB ASP 40 3.852 -17.055 16.622 256 NH1 ARG 41 NH2 ARG 41 2.475 -12.922 19.847 257 NH2 ARG 41 NH1 ARG 41 1.834 -10.776 20.303 258 H ARG 41 H ARG 41 4.877 -15.093 16.742 259 HA ARG 41 HA ARG 41 4.131 -13.398 14.507 260 1HB ARG 41 1HB ARG 41 2.879 -13.075 16.585 261 2HB ARG 41 2HB ARG 41 4.347 -13.085 17.553 262 1HG ARG 41 1HG ARG 41 5.039 -10.959 16.549 263 2HG ARG 41 2HG ARG 41 3.600 -10.943 15.547 264 1HD ARG 41 1HD ARG 41 3.939 -10.308 18.410 265 2HD ARG 41 2HD ARG 41 2.798 -9.668 17.243 266 HE ARG 41 HE ARG 41 1.485 -11.777 17.616 267 1HH1 ARG 41 1HH2 ARG 41 2.712 -13.619 19.170 268 2HH1 ARG 41 2HH2 ARG 41 2.468 -13.152 20.819 269 1HH2 ARG 41 1HH1 ARG 41 1.589 -9.867 19.967 270 2HH2 ARG 41 2HH1 ARG 41 1.823 -10.966 21.284 271 H CYS 42 H CYS 42 6.302 -12.951 17.230 272 HA CYS 42 HA CYS 42 8.715 -12.665 15.766 273 1HB CYS 42 1HB CYS 42 7.681 -10.066 16.881 274 2HB CYS 42 2HB CYS 42 9.130 -10.316 15.939 275 H GLN 43 H GLN 43 7.724 -13.918 18.088 276 HA GLN 43 HA GLN 43 8.545 -12.519 20.478 277 1HB GLN 43 1HB GLN 43 8.437 -14.843 21.501 278 2HB GLN 43 2HB GLN 43 6.982 -14.418 20.620 279 1HG GLN 43 1HG GLN 43 7.776 -15.670 18.656 280 2HG GLN 43 2HG GLN 43 9.264 -16.074 19.498 281 1HE2 GLN 43 2HE2 GLN 43 5.803 -18.048 20.429 282 2HE2 GLN 43 1HE2 GLN 43 5.760 -16.668 19.443 283 H THR 44 H THR 44 10.300 -14.378 18.117 284 HA THR 44 HA THR 44 12.480 -15.034 19.884 285 HB THR 44 HB THR 44 13.133 -15.100 17.007 286 HG1 THR 44 HG1 THR 44 11.373 -16.283 16.437 287 1HG2 THR 44 2HG2 THR 44 13.994 -16.631 18.960 288 2HG2 THR 44 3HG2 THR 44 12.402 -17.382 18.911 289 3HG2 THR 44 1HG2 THR 44 13.462 -17.471 17.507 290 NH1 ARG 45 NH2 ARG 45 12.228 -9.575 24.031 291 NH2 ARG 45 NH1 ARG 45 13.183 -7.709 24.937 292 H ARG 45 H ARG 45 13.390 -13.270 20.759 293 HA ARG 45 HA ARG 45 14.528 -11.120 19.032 294 1HB ARG 45 1HB ARG 45 13.144 -10.482 20.976 295 2HB ARG 45 2HB ARG 45 14.127 -11.483 22.044 296 1HG ARG 45 1HG ARG 45 15.992 -10.102 21.838 297 2HG ARG 45 2HG ARG 45 15.416 -9.394 20.342 298 1HD ARG 45 1HD ARG 45 15.113 -7.719 22.035 299 2HD ARG 45 2HD ARG 45 13.518 -8.368 21.687 300 HE ARG 45 HE ARG 45 15.086 -9.477 23.975 301 1HH1 ARG 45 1HH2 ARG 45 12.307 -10.376 23.438 302 2HH1 ARG 45 2HH2 ARG 45 11.374 -9.399 24.520 303 1HH2 ARG 45 1HH1 ARG 45 13.980 -7.111 25.023 304 2HH2 ARG 45 2HH1 ARG 45 12.345 -7.502 25.440 305 H ASP 46 H ASP 46 16.347 -12.497 18.267 306 HA ASP 46 HA ASP 46 18.167 -13.506 20.412 307 1HB ASP 46 1HB ASP 46 17.349 -14.645 18.021 308 2HB ASP 46 2HB ASP 46 18.962 -14.065 17.632 309 H LEU 47 H LEU 47 20.563 -13.423 19.879 310 HA LEU 47 HA LEU 47 21.424 -10.696 19.921 311 1HB LEU 47 1HB LEU 47 22.950 -13.279 19.384 312 2HB LEU 47 2HB LEU 47 23.731 -11.727 19.660 313 HG LEU 47 HG LEU 47 21.703 -12.532 21.681 314 1HD1 LEU 47 1HD1 LEU 47 24.266 -14.041 21.164 315 2HD1 LEU 47 2HD1 LEU 47 23.637 -13.892 22.803 316 3HD1 LEU 47 3HD1 LEU 47 22.672 -14.682 21.557 317 1HD2 LEU 47 1HD2 LEU 47 23.299 -10.475 21.637 318 2HD2 LEU 47 2HD2 LEU 47 23.158 -11.368 23.146 319 3HD2 LEU 47 3HD2 LEU 47 24.554 -11.620 22.101 320 NH1 ARG 48 NH1 ARG 48 16.225 -12.518 13.763 321 NH2 ARG 48 NH2 ARG 48 15.384 -14.070 15.209 322 H ARG 48 H ARG 48 20.285 -10.006 17.908 323 HA ARG 48 HA ARG 48 22.148 -10.154 15.704 324 1HB ARG 48 1HB ARG 48 19.485 -10.201 14.611 325 2HB ARG 48 2HB ARG 48 20.773 -11.364 14.371 326 1HG ARG 48 1HG ARG 48 20.133 -12.419 16.577 327 2HG ARG 48 2HG ARG 48 18.752 -11.333 16.650 328 1HD ARG 48 1HD ARG 48 18.581 -12.368 14.092 329 2HD ARG 48 2HD ARG 48 19.200 -13.744 15.005 330 HE ARG 48 HE ARG 48 17.199 -13.046 16.630 331 1HH1 ARG 48 1HH1 ARG 48 16.945 -11.863 13.533 332 2HH1 ARG 48 2HH1 ARG 48 15.449 -12.645 13.145 333 1HH2 ARG 48 1HH2 ARG 48 15.471 -14.579 16.063 334 2HH2 ARG 48 2HH2 ARG 48 14.592 -14.219 14.616 335 CH2 TRP 49 CH2 TRP 49 16.457 -2.295 13.182 336 H TRP 49 H TRP 49 18.967 -8.851 15.682 337 HA TRP 49 HA TRP 49 19.478 -6.493 14.467 338 1HB TRP 49 1HB TRP 49 17.162 -6.912 14.932 339 2HB TRP 49 2HB TRP 49 17.488 -7.112 16.643 340 HD1 TRP 49 HD1 TRP 49 16.831 -4.825 18.059 341 HE1 TRP 49 HE1 TRP 49 15.251 -3.189 17.078 342 HE3 TRP 49 HE3 TRP 49 18.748 -4.676 13.695 343 HZ2 TRP 49 HZ2 TRP 49 14.898 -1.891 14.572 344 HZ3 TRP 49 HZ3 TRP 49 18.008 -3.088 11.945 345 HH2 TRP 49 HH2 TRP 49 16.172 -1.529 12.479 346 CH2 TRP 50 CH2 TRP 50 19.948 -9.937 21.891 347 H TRP 50 H TRP 50 18.557 -6.254 17.648 348 HA TRP 50 HA TRP 50 19.665 -3.853 18.199 349 1HB TRP 50 1HB TRP 50 19.661 -4.943 20.707 350 2HB TRP 50 2HB TRP 50 18.176 -4.506 19.889 351 HD1 TRP 50 HD1 TRP 50 16.690 -6.618 18.778 352 HE1 TRP 50 HE1 TRP 50 16.795 -9.038 19.317 353 HE3 TRP 50 HE3 TRP 50 20.888 -6.716 21.535 354 HZ2 TRP 50 HZ2 TRP 50 18.258 -10.827 20.932 355 HZ3 TRP 50 HZ3 TRP 50 21.556 -8.782 22.696 356 HH2 TRP 50 HH2 TRP 50 20.242 -10.845 22.396 357 H GLU 51 H GLU 51 21.617 -3.232 18.163 358 HA GLU 51 HA GLU 51 23.726 -4.649 19.552 359 1HB GLU 51 1HB GLU 51 23.791 -3.979 16.587 360 2HB GLU 51 2HB GLU 51 25.248 -4.359 17.499 361 1HG GLU 51 1HG GLU 51 24.137 -6.532 18.188 362 2HG GLU 51 2HG GLU 51 22.854 -6.155 17.045 363 H LEU 52 H LEU 52 23.770 -2.098 17.121 364 HA LEU 52 HA LEU 52 25.562 -0.350 18.050 365 1HB LEU 52 1HB LEU 52 22.806 0.742 17.430 366 2HB LEU 52 2HB LEU 52 24.366 1.393 16.947 367 HG LEU 52 HG LEU 52 23.040 -1.125 15.885 368 1HD1 LEU 52 2HD1 LEU 52 22.706 1.509 15.153 369 2HD1 LEU 52 3HD1 LEU 52 23.997 0.993 14.071 370 3HD1 LEU 52 1HD1 LEU 52 22.460 0.132 14.080 371 1HD2 LEU 52 1HD2 LEU 52 25.834 -0.007 15.557 372 2HD2 LEU 52 2HD2 LEU 52 25.362 -1.652 15.976 373 3HD2 LEU 52 3HD2 LEU 52 25.113 -1.056 14.338 374 NH1 ARG 53 NH2 ARG 53 27.467 3.167 24.961 375 NH2 ARG 53 NH1 ARG 53 25.746 1.930 25.813 376 H ARG 53 H ARG 53 26.035 0.355 20.034 377 HA ARG 53 HA ARG 53 25.778 1.086 22.240 378 1HB ARG 53 1HB ARG 53 23.597 2.466 20.666 379 2HB ARG 53 2HB ARG 53 23.630 2.684 22.404 380 1HG ARG 53 1HG ARG 53 25.973 3.207 20.539 381 2HG ARG 53 2HG ARG 53 24.903 4.451 21.163 382 1HD ARG 53 1HD ARG 53 27.175 3.139 22.461 383 2HD ARG 53 2HD ARG 53 26.363 4.638 22.888 384 HE ARG 53 HE ARG 53 24.619 2.659 23.763 385 1HH1 ARG 53 1HH2 ARG 53 27.829 3.735 24.222 386 2HH1 ARG 53 ARG 53 28.025 2.985 25.770 387 1HH2 ARG 53 1HH1 ARG 53 24.819 1.570 25.713 388 2HH2 ARG 53 2HH1 ARG 53 26.277 1.725 26.637 No H/Q in entry = 388
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