NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573608 | 2mij | 19683 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 28.926 2.358 7.694 2 H2 GLY 1 H2 GLY 1 30.196 3.009 6.770 3 H3 GLY 1 H3 GLY 1 28.667 2.767 6.069 4 HA2 GLY 1 HA3 GLY 1 29.631 4.947 7.701 5 HA3 GLY 1 HA2 GLY 1 28.333 4.922 6.507 6 H LEU 2 H LEU 2 26.682 2.957 7.442 7 HA LEU 2 HA LEU 2 24.919 2.639 8.883 8 HB2 LEU 2 HB3 LEU 2 26.928 3.451 11.005 9 HB3 LEU 2 HB2 LEU 2 25.479 2.476 11.248 10 HG LEU 2 HG LEU 2 27.813 1.692 9.476 11 HD11 LEU 2 HD11 LEU 2 28.267 1.782 11.978 12 HD12 LEU 2 HD12 LEU 2 28.489 0.198 11.232 13 HD13 LEU 2 HD13 LEU 2 27.030 0.538 12.164 14 HD21 LEU 2 HD21 LEU 2 25.202 0.377 10.238 15 HD22 LEU 2 HD22 LEU 2 26.601 -0.609 9.816 16 HD23 LEU 2 HD23 LEU 2 25.941 0.526 8.643 17 H GLY 3 H GLY 3 26.132 5.541 8.177 18 HA2 GLY 3 HA3 GLY 3 24.928 7.261 10.100 19 HA3 GLY 3 HA2 GLY 3 25.473 7.730 8.497 20 H LYS 4 H LYS 4 23.156 8.751 9.604 21 HA LYS 4 HA LYS 4 20.809 7.328 8.889 22 HB2 LYS 4 HB3 LYS 4 19.657 9.428 9.280 23 HB3 LYS 4 HB2 LYS 4 21.000 9.401 10.424 24 HG2 LYS 4 HG3 LYS 4 22.345 10.764 8.747 25 HG3 LYS 4 HG2 LYS 4 20.888 10.914 7.790 26 HD2 LYS 4 HD3 LYS 4 19.704 11.991 9.655 27 HD3 LYS 4 HD2 LYS 4 21.142 11.855 10.666 28 HE2 LYS 4 HE3 LYS 4 21.048 13.339 8.026 29 HE3 LYS 4 HE2 LYS 4 20.900 14.107 9.607 30 HZ1 LYS 4 HZ1 LYS 4 23.239 13.057 8.281 31 HZ2 LYS 4 HZ2 LYS 4 23.105 12.607 9.914 32 HZ3 LYS 4 HZ3 LYS 4 23.113 14.249 9.480 33 H ALA 5 H ALA 5 19.924 7.039 6.958 34 HA ALA 5 HA ALA 5 19.448 7.213 4.727 35 HB1 ALA 5 HB1 ALA 5 20.810 9.893 4.636 36 HB2 ALA 5 HB2 ALA 5 19.267 9.709 5.466 37 HB3 ALA 5 HB3 ALA 5 19.393 9.334 3.747 38 H GLN 6 H GLN 6 22.617 7.661 5.993 39 HA GLN 6 HA GLN 6 24.011 7.586 3.561 40 HB2 GLN 6 HB3 GLN 6 24.731 7.006 6.418 41 HB3 GLN 6 HB2 GLN 6 25.871 6.697 5.143 42 HG2 GLN 6 HG3 GLN 6 24.538 9.379 5.593 43 HG3 GLN 6 HG2 GLN 6 26.141 8.967 6.221 44 HE21 GLN 6 HE21 GLN 6 24.811 10.671 3.766 45 HE22 GLN 6 HE22 GLN 6 25.957 10.394 2.544 46 H CYS 7 H CYS 7 22.907 5.302 5.935 47 HA CYS 7 HA CYS 7 23.998 2.987 4.676 48 HB2 CYS 7 HB3 CYS 7 23.070 3.420 7.148 49 HB3 CYS 7 HB2 CYS 7 21.606 2.731 6.452 50 H ALA 8 H ALA 8 20.698 4.311 4.823 51 HA ALA 8 HA ALA 8 19.558 2.362 3.139 52 HB1 ALA 8 HB1 ALA 8 18.792 5.179 3.857 53 HB2 ALA 8 HB2 ALA 8 18.071 3.674 4.423 54 HB3 ALA 8 HB3 ALA 8 17.806 4.208 2.763 55 H ALA 9 H ALA 9 20.926 5.520 2.417 56 HA ALA 9 HA ALA 9 20.313 5.501 -0.344 57 HB1 ALA 9 HB1 ALA 9 22.592 6.907 1.064 58 HB2 ALA 9 HB2 ALA 9 20.956 7.545 0.892 59 HB3 ALA 9 HB3 ALA 9 21.957 7.290 -0.536 60 H LEU 10 H LEU 10 22.936 4.174 1.559 61 HA LEU 10 HA LEU 10 24.740 3.679 -0.555 62 HB2 LEU 10 HB3 LEU 10 25.321 3.643 1.826 63 HB3 LEU 10 HB2 LEU 10 24.305 2.234 2.060 64 HG LEU 10 HG LEU 10 25.718 0.866 0.643 65 HD11 LEU 10 HD11 LEU 10 27.963 1.950 -0.094 66 HD12 LEU 10 HD12 LEU 10 27.116 3.488 0.077 67 HD13 LEU 10 HD13 LEU 10 26.532 2.278 -1.066 68 HD21 LEU 10 HD21 LEU 10 26.432 0.940 2.925 69 HD22 LEU 10 HD22 LEU 10 27.145 2.539 2.733 70 HD23 LEU 10 HD23 LEU 10 27.898 1.143 1.972 71 H TRP 11 H TRP 11 22.064 1.715 0.799 72 HA TRP 11 HA TRP 11 22.597 -0.437 -1.081 73 HB2 TRP 11 HB3 TRP 11 21.398 -1.554 0.487 74 HB3 TRP 11 HB2 TRP 11 20.991 -0.037 1.277 75 HD1 TRP 11 HD1 TRP 11 18.609 0.870 0.999 76 HE1 TRP 11 HE1 TRP 11 16.466 0.001 -0.130 77 HE3 TRP 11 HE3 TRP 11 20.593 -2.906 -1.798 78 HZ2 TRP 11 HZ2 TRP 11 15.705 -2.020 -2.013 79 HZ3 TRP 11 HZ3 TRP 11 19.138 -4.277 -3.264 80 HH2 TRP 11 HH2 TRP 11 16.701 -3.837 -3.379 81 H LEU 12 H LEU 12 20.259 2.209 -0.780 82 HA LEU 12 HA LEU 12 18.680 1.526 -2.997 83 HB2 LEU 12 HB3 LEU 12 18.436 3.311 -1.035 84 HB3 LEU 12 HB2 LEU 12 19.076 4.399 -2.251 85 HG LEU 12 HG LEU 12 16.672 4.487 -2.400 86 HD11 LEU 12 HD11 LEU 12 17.406 2.654 -4.674 87 HD12 LEU 12 HD12 LEU 12 18.120 4.261 -4.542 88 HD13 LEU 12 HD13 LEU 12 16.373 4.081 -4.691 89 HD21 LEU 12 HD21 LEU 12 16.602 1.949 -1.410 90 HD22 LEU 12 HD22 LEU 12 16.290 1.609 -3.113 91 HD23 LEU 12 HD23 LEU 12 15.238 2.705 -2.227 92 H GLN 13 H GLN 13 21.533 3.603 -2.707 93 HA GLN 13 HA GLN 13 21.539 4.584 -5.335 94 HB2 GLN 13 HB3 GLN 13 23.715 4.123 -3.300 95 HB3 GLN 13 HB2 GLN 13 24.039 4.825 -4.872 96 HG2 GLN 13 HG3 GLN 13 21.847 5.944 -3.143 97 HG3 GLN 13 HG2 GLN 13 23.516 6.430 -2.889 98 HE21 GLN 13 HE21 GLN 13 22.774 5.610 -6.159 99 HE22 GLN 13 HE22 GLN 13 22.625 7.194 -6.752 100 H CYS 14 H CYS 14 22.875 1.647 -3.896 101 HA CYS 14 HA CYS 14 24.346 0.754 -6.096 102 HB2 CYS 14 HB3 CYS 14 23.898 -0.203 -3.581 103 HB3 CYS 14 HB2 CYS 14 22.930 -1.331 -4.519 104 H ALA 15 H ALA 15 21.069 1.231 -5.855 105 HA ALA 15 HA ALA 15 20.107 -0.877 -7.493 106 HB1 ALA 15 HB1 ALA 15 18.892 1.855 -7.144 107 HB2 ALA 15 HB2 ALA 15 18.776 0.595 -5.916 108 HB3 ALA 15 HB3 ALA 15 18.061 0.344 -7.512 109 H SER 16 H SER 16 21.283 2.370 -8.053 110 HA SER 16 HA SER 16 21.014 2.001 -10.969 111 HB2 SER 16 HB3 SER 16 20.832 4.305 -11.184 112 HB3 SER 16 HB2 SER 16 20.071 4.045 -9.615 113 HG SER 16 HG SER 16 22.559 4.245 -9.043 114 H GLY 17 H GLY 17 23.282 2.702 -8.403 115 HA2 GLY 17 HA3 GLY 17 25.565 1.917 -8.556 116 HA3 GLY 17 HA2 GLY 17 25.531 2.269 -10.283 117 H GLY 18 H GLY 18 24.320 4.292 -7.641 118 HA2 GLY 18 HA3 GLY 18 26.404 6.305 -8.272 119 HA3 GLY 18 HA2 GLY 18 24.723 6.740 -8.050 120 H THR 19 H THR 19 26.935 4.629 -6.258 121 HA THR 19 HA THR 19 25.938 5.590 -3.731 122 HB THR 19 HB THR 19 27.176 3.843 -2.751 123 HG1 THR 19 HG1 THR 19 28.772 3.346 -4.972 124 HG21 THR 19 HG21 THR 19 26.805 1.888 -4.196 125 HG22 THR 19 HG22 THR 19 26.729 2.921 -5.619 126 HG23 THR 19 HG23 THR 19 25.461 3.012 -4.397 127 H ILE 20 H ILE 20 27.671 6.078 -2.016 128 HA ILE 20 HA ILE 20 29.069 8.445 -2.825 129 HB ILE 20 HB ILE 20 29.232 6.912 -0.215 130 HG12 ILE 20 HG13 ILE 20 27.454 9.268 -0.887 131 HG13 ILE 20 HG12 ILE 20 26.895 7.600 -0.976 132 HG21 ILE 20 HG21 ILE 20 29.834 9.790 -0.962 133 HG22 ILE 20 HG22 ILE 20 31.014 8.565 -0.498 134 HG23 ILE 20 HG23 ILE 20 29.845 9.154 0.683 135 HD11 ILE 20 HD11 ILE 20 26.302 8.502 1.206 136 HD12 ILE 20 HD12 ILE 20 27.969 9.006 1.487 137 HD13 ILE 20 HD13 ILE 20 27.567 7.289 1.412 138 H GLY 21 H GLY 21 29.850 5.096 -2.471 139 HA2 GLY 21 HA3 GLY 21 32.633 5.260 -2.063 140 HA3 GLY 21 HA2 GLY 21 31.793 3.899 -2.790 141 H CYS 22 H CYS 22 30.663 5.486 -4.932 142 HA CYS 22 HA CYS 22 31.168 5.857 -7.152 143 HB2 CYS 22 HB3 CYS 22 31.664 8.055 -6.382 144 HB3 CYS 22 HB2 CYS 22 33.200 7.539 -5.691 145 H GLY 23 H GLY 23 31.808 3.974 -8.081 146 HA2 GLY 23 HA3 GLY 23 33.810 3.292 -9.462 147 HA3 GLY 23 HA2 GLY 23 34.683 3.242 -7.937 148 H GLY 24 H GLY 24 32.727 1.528 -10.107 149 HA2 GLY 24 HA3 GLY 24 31.880 -0.613 -10.131 150 HA3 GLY 24 HA2 GLY 24 33.164 -0.978 -8.984 151 H GLY 25 H GLY 25 30.283 1.103 -8.689 152 HA2 GLY 25 HA3 GLY 25 29.721 0.429 -6.038 153 HA3 GLY 25 HA2 GLY 25 28.550 1.090 -7.171 154 H ALA 26 H ALA 26 29.704 -1.712 -8.529 155 HA ALA 26 HA ALA 26 27.282 -3.090 -8.238 156 HB1 ALA 26 HB1 ALA 26 28.693 -3.640 -10.086 157 HB2 ALA 26 HB2 ALA 26 28.616 -5.077 -9.067 158 HB3 ALA 26 HB3 ALA 26 30.038 -4.036 -9.017 159 H VAL 27 H VAL 27 30.383 -3.480 -6.623 160 HA VAL 27 HA VAL 27 29.566 -5.628 -4.925 161 HB VAL 27 HB VAL 27 31.923 -5.163 -5.583 162 HG11 VAL 27 HG11 VAL 27 33.156 -3.374 -4.472 163 HG12 VAL 27 HG12 VAL 27 31.702 -2.862 -3.622 164 HG13 VAL 27 HG13 VAL 27 31.804 -2.693 -5.370 165 HG21 VAL 27 HG21 VAL 27 32.879 -5.838 -3.519 166 HG22 VAL 27 HG22 VAL 27 31.229 -6.449 -3.460 167 HG23 VAL 27 HG23 VAL 27 31.659 -4.986 -2.582 168 H ALA 28 H ALA 28 29.157 -2.193 -4.763 169 HA ALA 28 HA ALA 28 29.046 -1.823 -1.982 170 HB1 ALA 28 HB1 ALA 28 28.670 0.279 -2.704 171 HB2 ALA 28 HB2 ALA 28 27.038 -0.185 -3.182 172 HB3 ALA 28 HB3 ALA 28 28.366 -0.328 -4.321 173 H CYS 29 H CYS 29 26.751 -3.308 -4.173 174 HA CYS 29 HA CYS 29 24.444 -3.107 -2.605 175 HB2 CYS 29 HB3 CYS 29 25.324 -5.334 -4.439 176 HB3 CYS 29 HB2 CYS 29 23.708 -5.126 -3.799 177 H GLN 30 H GLN 30 26.844 -5.743 -2.773 178 HA GLN 30 HA GLN 30 25.504 -7.238 -0.733 179 HB2 GLN 30 HB3 GLN 30 27.613 -8.596 -0.640 180 HB3 GLN 30 HB2 GLN 30 26.900 -8.475 -2.244 181 HG2 GLN 30 HG3 GLN 30 29.211 -8.090 -2.569 182 HG3 GLN 30 HG2 GLN 30 28.464 -6.505 -2.620 183 HE21 GLN 30 HE21 GLN 30 29.080 -8.404 0.344 184 HE22 GLN 30 HE22 GLN 30 30.193 -7.308 1.007 185 H ASN 31 H ASN 31 28.033 -4.835 -0.695 186 HA ASN 31 HA ASN 31 29.148 -5.167 1.795 187 HB2 ASN 31 HB3 ASN 31 28.429 -2.681 0.225 188 HB3 ASN 31 HB2 ASN 31 29.190 -2.604 1.795 189 HD21 ASN 31 HD21 ASN 31 29.891 -3.338 -1.568 190 HD22 ASN 31 HD22 ASN 31 31.525 -3.746 -1.326 191 H TYR 32 H TYR 32 25.998 -3.953 0.929 192 HA TYR 32 HA TYR 32 25.214 -2.825 3.369 193 HB2 TYR 32 HB3 TYR 32 23.921 -2.441 1.373 194 HB3 TYR 32 HB2 TYR 32 23.577 -4.165 1.222 195 HD1 TYR 32 HD2 TYR 32 22.246 -5.314 2.974 196 HD2 TYR 32 HD1 TYR 32 22.629 -1.051 2.858 197 HE1 TYR 32 HE2 TYR 32 20.329 -5.131 4.467 198 HE2 TYR 32 HE1 TYR 32 20.682 -0.841 4.365 199 HH TYR 32 HH TYR 32 19.610 -2.727 6.264 200 H ARG 33 H ARG 33 24.750 -6.195 2.220 201 HA ARG 33 HA ARG 33 23.324 -7.079 4.474 202 HB2 ARG 33 HB3 ARG 33 24.569 -8.277 2.165 203 HB3 ARG 33 HB2 ARG 33 25.042 -9.215 3.574 204 HG2 ARG 33 HG3 ARG 33 22.997 -10.142 2.644 205 HG3 ARG 33 HG2 ARG 33 22.662 -9.441 4.229 206 HD2 ARG 33 HD3 ARG 33 21.099 -8.902 2.069 207 HD3 ARG 33 HD2 ARG 33 21.372 -7.709 3.341 208 HE ARG 33 HE ARG 33 22.805 -6.531 1.899 209 HH11 ARG 33 HH21 ARG 33 21.767 -9.534 0.528 210 HH12 ARG 33 HH22 ARG 33 22.278 -9.125 -1.074 211 HH21 ARG 33 HH11 ARG 33 23.473 -5.995 -0.174 212 HH22 ARG 33 HH12 ARG 33 23.247 -7.119 -1.475 213 H GLN 34 H GLN 34 26.767 -6.873 3.808 214 HA GLN 34 HA GLN 34 27.675 -8.102 6.213 215 HB2 GLN 34 HB3 GLN 34 29.372 -5.996 4.971 216 HB3 GLN 34 HB2 GLN 34 29.794 -7.644 5.421 217 HG2 GLN 34 HG3 GLN 34 28.213 -6.774 3.019 218 HG3 GLN 34 HG2 GLN 34 29.829 -7.452 3.005 219 HE21 GLN 34 HE21 GLN 34 26.938 -8.363 2.049 220 HE22 GLN 34 HE22 GLN 34 26.899 -9.987 2.553 221 H PHE 35 H PHE 35 27.127 -4.689 5.338 222 HA PHE 35 HA PHE 35 27.964 -3.810 7.995 223 HB2 PHE 35 HB3 PHE 35 27.064 -2.418 5.489 224 HB3 PHE 35 HB2 PHE 35 27.120 -1.527 7.005 225 HD1 PHE 35 HD1 PHE 35 29.473 -2.150 8.417 226 HD2 PHE 35 HD2 PHE 35 28.980 -2.140 4.126 227 HE1 PHE 35 HE1 PHE 35 31.901 -1.836 8.123 228 HE2 PHE 35 HE2 PHE 35 31.411 -1.834 3.861 229 HZ PHE 35 HZ PHE 35 32.875 -1.679 5.851 230 H CYS 36 H CYS 36 24.984 -3.509 6.036 231 HA CYS 36 HA CYS 36 23.480 -3.249 8.551 232 HB2 CYS 36 HB3 CYS 36 23.144 -2.170 5.785 233 HB3 CYS 36 HB2 CYS 36 21.690 -2.485 6.722 234 H ARG 37 H ARG 37 22.882 -5.228 9.171 235 HA ARG 37 HA ARG 37 22.384 -7.413 7.437 236 HB2 ARG 37 HB3 ARG 37 22.976 -7.658 9.836 237 HB3 ARG 37 HB2 ARG 37 21.398 -7.004 10.272 238 HG2 ARG 37 HG3 ARG 37 20.287 -8.857 9.091 239 HG3 ARG 37 HG2 ARG 37 21.858 -9.505 8.617 240 HD2 ARG 37 HD3 ARG 37 22.440 -9.694 11.052 241 HD3 ARG 37 HD2 ARG 37 20.789 -9.215 11.437 242 HE ARG 37 HE ARG 37 20.692 -11.392 9.649 243 HH11 ARG 37 HH21 ARG 37 21.646 -10.600 12.882 244 HH12 ARG 37 HH22 ARG 37 21.334 -12.184 13.508 245 HH21 ARG 37 HH11 ARG 37 20.280 -13.468 10.465 246 HH22 ARG 37 HH12 ARG 37 20.561 -13.807 12.140 247 H2 BGC 101 H2 GLC 0 34.684 8.225 -10.003 248 H3 BGC 101 H3 GLC 0 36.223 5.729 -9.073 249 H4 BGC 101 H4 GLC 0 37.157 8.652 -9.075 250 H5 BGC 101 H5 GLC 0 36.403 6.861 -6.667 251 H6C1 BGC 101 H61 GLC 0 37.432 8.352 -5.336 252 H6C2 BGC 101 H62 GLC 0 38.129 9.126 -6.776 253 H1 BGC 101 H1 GLC 0 34.174 6.435 -7.522 254 HB BGC 101 HO2 GLC 0 33.020 6.616 -10.086 255 HC BGC 101 HO3 GLC 0 37.538 6.208 -10.721 256 HD BGC 101 HO4 GLC 0 39.005 7.705 -8.836 257 H6 BGC 101 HO6 GLC 0 36.408 10.116 -5.079 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 27.479 3.283 5.738 2 H2 GLY 1 H2 GLY 1 28.963 2.689 6.315 3 H3 GLY 1 H3 GLY 1 28.909 3.606 4.886 4 HA2 GLY 1 HA3 GLY 1 29.739 4.865 6.835 5 HA3 GLY 1 HA2 GLY 1 28.324 5.575 6.057 6 H LEU 2 H LEU 2 26.778 3.164 7.178 7 HA LEU 2 HA LEU 2 25.382 2.769 8.958 8 HB2 LEU 2 HB3 LEU 2 27.682 3.866 10.602 9 HB3 LEU 2 HB2 LEU 2 26.396 2.805 11.175 10 HG LEU 2 HG LEU 2 28.378 2.074 9.000 11 HD11 LEU 2 HD11 LEU 2 29.394 0.619 10.737 12 HD12 LEU 2 HD12 LEU 2 28.297 1.308 11.935 13 HD13 LEU 2 HD13 LEU 2 29.510 2.327 11.158 14 HD21 LEU 2 HD21 LEU 2 26.135 0.613 10.402 15 HD22 LEU 2 HD22 LEU 2 27.495 -0.280 9.725 16 HD23 LEU 2 HD23 LEU 2 26.483 0.705 8.675 17 H GLY 3 H GLY 3 26.230 5.750 7.964 18 HA2 GLY 3 HA3 GLY 3 25.099 7.386 10.031 19 HA3 GLY 3 HA2 GLY 3 25.504 7.903 8.402 20 H LYS 4 H LYS 4 23.163 8.741 9.682 21 HA LYS 4 HA LYS 4 20.907 7.136 9.061 22 HB2 LYS 4 HB3 LYS 4 19.634 9.137 9.542 23 HB3 LYS 4 HB2 LYS 4 21.028 9.183 10.618 24 HG2 LYS 4 HG3 LYS 4 22.187 10.612 8.780 25 HG3 LYS 4 HG2 LYS 4 20.599 10.760 8.063 26 HD2 LYS 4 HD3 LYS 4 20.694 12.668 9.413 27 HD3 LYS 4 HD2 LYS 4 19.827 11.526 10.439 28 HE2 LYS 4 HE3 LYS 4 21.837 11.017 11.683 29 HE3 LYS 4 HE2 LYS 4 22.828 11.935 10.555 30 HZ1 LYS 4 HZ1 LYS 4 20.763 13.583 11.491 31 HZ2 LYS 4 HZ2 LYS 4 22.437 13.750 11.728 32 HZ3 LYS 4 HZ3 LYS 4 21.506 12.856 12.832 33 H ALA 5 H ALA 5 19.938 6.828 7.155 34 HA ALA 5 HA ALA 5 19.315 7.072 4.981 35 HB1 ALA 5 HB1 ALA 5 19.087 9.539 5.834 36 HB2 ALA 5 HB2 ALA 5 19.061 9.211 4.103 37 HB3 ALA 5 HB3 ALA 5 20.534 9.809 4.864 38 H GLN 6 H GLN 6 22.529 7.646 6.067 39 HA GLN 6 HA GLN 6 23.777 7.719 3.552 40 HB2 GLN 6 HB3 GLN 6 24.681 7.137 6.356 41 HB3 GLN 6 HB2 GLN 6 25.763 6.844 5.022 42 HG2 GLN 6 HG3 GLN 6 24.388 9.503 5.448 43 HG3 GLN 6 HG2 GLN 6 25.978 9.136 6.132 44 HE21 GLN 6 HE21 GLN 6 27.789 9.199 4.714 45 HE22 GLN 6 HE22 GLN 6 27.668 9.581 3.065 46 H CYS 7 H CYS 7 22.908 5.295 5.901 47 HA CYS 7 HA CYS 7 24.034 3.071 4.513 48 HB2 CYS 7 HB3 CYS 7 23.606 2.904 6.895 49 HB3 CYS 7 HB2 CYS 7 21.884 3.182 6.637 50 H ALA 8 H ALA 8 20.692 4.251 4.846 51 HA ALA 8 HA ALA 8 19.549 2.306 3.159 52 HB1 ALA 8 HB1 ALA 8 17.716 4.084 2.919 53 HB2 ALA 8 HB2 ALA 8 18.717 5.073 3.984 54 HB3 ALA 8 HB3 ALA 8 18.085 3.530 4.554 55 H ALA 9 H ALA 9 20.816 5.514 2.487 56 HA ALA 9 HA ALA 9 20.097 5.587 -0.250 57 HB1 ALA 9 HB1 ALA 9 20.736 7.604 1.027 58 HB2 ALA 9 HB2 ALA 9 21.711 7.416 -0.429 59 HB3 ALA 9 HB3 ALA 9 22.387 6.994 1.144 60 H LEU 10 H LEU 10 22.837 4.292 1.509 61 HA LEU 10 HA LEU 10 24.557 3.890 -0.679 62 HB2 LEU 10 HB3 LEU 10 25.200 3.787 1.698 63 HB3 LEU 10 HB2 LEU 10 24.248 2.327 1.884 64 HG LEU 10 HG LEU 10 25.678 1.069 0.401 65 HD11 LEU 10 HD11 LEU 10 27.833 2.254 -0.415 66 HD12 LEU 10 HD12 LEU 10 26.953 3.760 -0.152 67 HD13 LEU 10 HD13 LEU 10 26.350 2.572 -1.309 68 HD21 LEU 10 HD21 LEU 10 26.476 1.154 2.660 69 HD22 LEU 10 HD22 LEU 10 27.130 2.775 2.445 70 HD23 LEU 10 HD23 LEU 10 27.887 1.410 1.641 71 H TRP 11 H TRP 11 21.955 1.822 0.700 72 HA TRP 11 HA TRP 11 22.466 -0.242 -1.278 73 HB2 TRP 11 HB3 TRP 11 21.315 -1.461 0.243 74 HB3 TRP 11 HB2 TRP 11 20.956 0.001 1.149 75 HD1 TRP 11 HD1 TRP 11 18.578 0.979 0.989 76 HE1 TRP 11 HE1 TRP 11 16.369 0.162 -0.055 77 HE3 TRP 11 HE3 TRP 11 20.379 -2.727 -2.020 78 HZ2 TRP 11 HZ2 TRP 11 15.495 -1.790 -1.961 79 HZ3 TRP 11 HZ3 TRP 11 18.839 -4.040 -3.449 80 HH2 TRP 11 HH2 TRP 11 16.403 -3.574 -3.428 81 H LEU 12 H LEU 12 20.154 2.391 -0.828 82 HA LEU 12 HA LEU 12 18.442 1.772 -2.957 83 HB2 LEU 12 HB3 LEU 12 18.339 3.575 -1.012 84 HB3 LEU 12 HB2 LEU 12 19.000 4.632 -2.243 85 HG LEU 12 HG LEU 12 16.601 4.844 -2.319 86 HD11 LEU 12 HD11 LEU 12 17.957 4.578 -4.506 87 HD12 LEU 12 HD12 LEU 12 16.203 4.451 -4.601 88 HD13 LEU 12 HD13 LEU 12 17.191 2.995 -4.626 89 HD21 LEU 12 HD21 LEU 12 15.077 3.131 -2.158 90 HD22 LEU 12 HD22 LEU 12 16.406 2.335 -1.324 91 HD23 LEU 12 HD23 LEU 12 16.089 1.979 -3.023 92 H GLN 13 H GLN 13 21.351 3.825 -2.860 93 HA GLN 13 HA GLN 13 21.223 4.712 -5.526 94 HB2 GLN 13 HB3 GLN 13 23.491 4.318 -3.572 95 HB3 GLN 13 HB2 GLN 13 23.736 4.976 -5.185 96 HG2 GLN 13 HG3 GLN 13 22.112 6.711 -4.735 97 HG3 GLN 13 HG2 GLN 13 21.862 6.115 -3.117 98 HE21 GLN 13 HE21 GLN 13 24.998 5.484 -3.349 99 HE22 GLN 13 HE22 GLN 13 25.678 6.970 -2.891 100 H CYS 14 H CYS 14 22.663 1.895 -4.015 101 HA CYS 14 HA CYS 14 24.022 0.874 -6.232 102 HB2 CYS 14 HB3 CYS 14 23.725 0.040 -3.659 103 HB3 CYS 14 HB2 CYS 14 22.710 -1.138 -4.481 104 H ALA 15 H ALA 15 20.807 1.449 -5.969 105 HA ALA 15 HA ALA 15 19.708 -0.780 -7.333 106 HB1 ALA 15 HB1 ALA 15 18.685 2.056 -7.176 107 HB2 ALA 15 HB2 ALA 15 18.402 0.818 -5.952 108 HB3 ALA 15 HB3 ALA 15 17.739 0.622 -7.577 109 H SER 16 H SER 16 21.062 2.292 -8.296 110 HA SER 16 HA SER 16 20.672 1.635 -11.143 111 HB2 SER 16 HB3 SER 16 20.732 3.921 -11.597 112 HB3 SER 16 HB2 SER 16 19.944 3.876 -10.020 113 HG SER 16 HG SER 16 22.362 4.904 -10.746 114 H GLY 17 H GLY 17 23.051 1.955 -8.680 115 HA2 GLY 17 HA3 GLY 17 25.206 0.840 -9.101 116 HA3 GLY 17 HA2 GLY 17 25.222 1.620 -10.680 117 H GLY 18 H GLY 18 24.415 2.878 -7.454 118 HA2 GLY 18 HA3 GLY 18 26.630 4.824 -7.700 119 HA3 GLY 18 HA2 GLY 18 25.022 5.309 -7.180 120 H THR 19 H THR 19 27.645 5.408 -5.798 121 HA THR 19 HA THR 19 26.729 4.432 -3.242 122 HB THR 19 HB THR 19 27.723 2.396 -3.805 123 HG1 THR 19 HG1 THR 19 29.852 2.507 -2.699 124 HG21 THR 19 HG21 THR 19 29.915 4.020 -5.152 125 HG22 THR 19 HG22 THR 19 28.734 2.971 -5.932 126 HG23 THR 19 HG23 THR 19 30.002 2.275 -4.921 127 H ILE 20 H ILE 20 28.149 5.112 -1.456 128 HA ILE 20 HA ILE 20 29.015 7.832 -1.776 129 HB ILE 20 HB ILE 20 29.467 5.923 0.544 130 HG12 ILE 20 HG13 ILE 20 27.236 7.940 0.171 131 HG13 ILE 20 HG12 ILE 20 27.051 6.222 -0.184 132 HG21 ILE 20 HG21 ILE 20 29.533 8.083 1.827 133 HG22 ILE 20 HG22 ILE 20 29.508 8.944 0.289 134 HG23 ILE 20 HG23 ILE 20 30.868 7.896 0.691 135 HD11 ILE 20 HD11 ILE 20 26.270 6.819 2.116 136 HD12 ILE 20 HD12 ILE 20 27.912 7.335 2.506 137 HD13 ILE 20 HD13 ILE 20 27.585 5.643 2.128 138 H GLY 21 H GLY 21 30.593 4.686 -1.353 139 HA2 GLY 21 HA3 GLY 21 33.242 5.607 -1.118 140 HA3 GLY 21 HA2 GLY 21 32.771 3.999 -1.650 141 H CYS 22 H CYS 22 31.134 5.365 -3.811 142 HA CYS 22 HA CYS 22 31.384 5.745 -6.063 143 HB2 CYS 22 HB3 CYS 22 31.979 7.959 -5.410 144 HB3 CYS 22 HB2 CYS 22 33.581 7.445 -4.887 145 H GLY 23 H GLY 23 31.930 3.960 -7.170 146 HA2 GLY 23 HA3 GLY 23 34.029 3.384 -8.599 147 HA3 GLY 23 HA2 GLY 23 34.690 2.924 -7.034 148 H GLY 24 H GLY 24 32.782 1.962 -9.672 149 HA2 GLY 24 HA3 GLY 24 31.600 0.043 -10.174 150 HA3 GLY 24 HA2 GLY 24 32.753 -0.744 -9.100 151 H GLY 25 H GLY 25 29.804 1.263 -8.947 152 HA2 GLY 25 HA3 GLY 25 29.061 0.652 -6.329 153 HA3 GLY 25 HA2 GLY 25 27.940 1.106 -7.607 154 H ALA 26 H ALA 26 29.465 -1.566 -8.777 155 HA ALA 26 HA ALA 26 27.196 -3.201 -8.525 156 HB1 ALA 26 HB1 ALA 26 29.036 -3.415 -10.248 157 HB2 ALA 26 HB2 ALA 26 28.494 -4.933 -9.533 158 HB3 ALA 26 HB3 ALA 26 30.003 -4.196 -8.996 159 H VAL 27 H VAL 27 30.295 -3.283 -6.855 160 HA VAL 27 HA VAL 27 29.585 -5.422 -5.087 161 HB VAL 27 HB VAL 27 31.930 -4.835 -5.779 162 HG11 VAL 27 HG11 VAL 27 31.626 -2.593 -3.765 163 HG12 VAL 27 HG12 VAL 27 31.622 -2.366 -5.506 164 HG13 VAL 27 HG13 VAL 27 33.061 -2.985 -4.707 165 HG21 VAL 27 HG21 VAL 27 31.527 -4.757 -2.777 166 HG22 VAL 27 HG22 VAL 27 32.925 -5.379 -3.645 167 HG23 VAL 27 HG23 VAL 27 31.383 -6.228 -3.736 168 H ALA 28 H ALA 28 29.006 -2.007 -5.067 169 HA ALA 28 HA ALA 28 28.916 -1.555 -2.292 170 HB1 ALA 28 HB1 ALA 28 27.641 -0.256 -4.660 171 HB2 ALA 28 HB2 ALA 28 28.797 0.404 -3.520 172 HB3 ALA 28 HB3 ALA 28 27.107 0.210 -3.053 173 H CYS 29 H CYS 29 26.639 -3.158 -4.435 174 HA CYS 29 HA CYS 29 24.353 -2.978 -2.813 175 HB2 CYS 29 HB3 CYS 29 25.216 -5.177 -4.688 176 HB3 CYS 29 HB2 CYS 29 23.618 -5.002 -3.999 177 H GLN 30 H GLN 30 26.845 -5.500 -3.046 178 HA GLN 30 HA GLN 30 25.614 -7.092 -1.041 179 HB2 GLN 30 HB3 GLN 30 27.913 -8.260 -0.928 180 HB3 GLN 30 HB2 GLN 30 27.015 -8.351 -2.437 181 HG2 GLN 30 HG3 GLN 30 29.102 -7.763 -3.244 182 HG3 GLN 30 HG2 GLN 30 28.410 -6.175 -3.024 183 HE21 GLN 30 HE21 GLN 30 30.521 -8.580 -1.438 184 HE22 GLN 30 HE22 GLN 30 31.383 -7.450 -0.510 185 H ASN 31 H ASN 31 28.034 -4.580 -0.931 186 HA ASN 31 HA ASN 31 29.103 -4.896 1.592 187 HB2 ASN 31 HB3 ASN 31 28.369 -2.430 -0.013 188 HB3 ASN 31 HB2 ASN 31 29.122 -2.336 1.567 189 HD21 ASN 31 HD21 ASN 31 29.866 -3.041 -1.784 190 HD22 ASN 31 HD22 ASN 31 31.489 -3.482 -1.523 191 H TYR 32 H TYR 32 25.965 -3.696 0.658 192 HA TYR 32 HA TYR 32 25.145 -2.557 3.062 193 HB2 TYR 32 HB3 TYR 32 23.850 -2.220 1.083 194 HB3 TYR 32 HB2 TYR 32 23.593 -3.955 0.905 195 HD1 TYR 32 HD2 TYR 32 22.225 -5.188 2.442 196 HD2 TYR 32 HD1 TYR 32 22.541 -0.925 2.689 197 HE1 TYR 32 HE2 TYR 32 20.254 -5.154 3.893 198 HE2 TYR 32 HE1 TYR 32 20.545 -0.859 4.157 199 HH TYR 32 HH TYR 32 18.799 -2.077 4.949 200 H ARG 33 H ARG 33 24.809 -5.978 2.027 201 HA ARG 33 HA ARG 33 23.411 -6.785 4.364 202 HB2 ARG 33 HB3 ARG 33 23.937 -8.045 2.091 203 HB3 ARG 33 HB2 ARG 33 25.315 -8.697 2.988 204 HG2 ARG 33 HG3 ARG 33 22.335 -8.919 3.704 205 HG3 ARG 33 HG2 ARG 33 23.406 -10.225 3.216 206 HD2 ARG 33 HD3 ARG 33 23.288 -8.780 5.911 207 HD3 ARG 33 HD2 ARG 33 23.302 -10.516 5.568 208 HE ARG 33 HE ARG 33 25.736 -9.207 4.720 209 HH11 ARG 33 HH21 ARG 33 23.987 -10.606 7.355 210 HH12 ARG 33 HH22 ARG 33 25.405 -11.075 8.231 211 HH21 ARG 33 HH11 ARG 33 27.607 -9.825 5.861 212 HH22 ARG 33 HH12 ARG 33 27.455 -10.635 7.384 213 H GLN 34 H GLN 34 26.799 -6.600 3.513 214 HA GLN 34 HA GLN 34 27.916 -7.807 5.804 215 HB2 GLN 34 HB3 GLN 34 29.051 -5.613 4.087 216 HB3 GLN 34 HB2 GLN 34 29.963 -6.772 5.044 217 HG2 GLN 34 HG3 GLN 34 29.040 -8.616 3.692 218 HG3 GLN 34 HG2 GLN 34 28.137 -7.454 2.728 219 HE21 GLN 34 HE21 GLN 34 29.158 -6.894 0.834 220 HE22 GLN 34 HE22 GLN 34 30.839 -6.891 0.587 221 H PHE 35 H PHE 35 27.250 -4.366 5.071 222 HA PHE 35 HA PHE 35 28.149 -3.582 7.737 223 HB2 PHE 35 HB3 PHE 35 27.120 -2.059 5.349 224 HB3 PHE 35 HB2 PHE 35 27.353 -1.269 6.904 225 HD1 PHE 35 HD2 PHE 35 29.812 -2.090 8.037 226 HD2 PHE 35 HD1 PHE 35 28.895 -1.707 3.833 227 HE1 PHE 35 HE2 PHE 35 32.209 -1.847 7.518 228 HE2 PHE 35 HE1 PHE 35 31.303 -1.470 3.343 229 HZ PHE 35 HZ PHE 35 32.960 -1.537 5.181 230 H CYS 36 H CYS 36 25.147 -3.432 5.821 231 HA CYS 36 HA CYS 36 23.645 -3.098 8.330 232 HB2 CYS 36 HB3 CYS 36 23.242 -2.210 5.512 233 HB3 CYS 36 HB2 CYS 36 21.801 -2.586 6.449 234 H ARG 37 H ARG 37 23.161 -5.050 9.098 235 HA ARG 37 HA ARG 37 22.938 -7.454 7.808 236 HB2 ARG 37 HB3 ARG 37 21.685 -8.236 9.691 237 HB3 ARG 37 HB2 ARG 37 22.844 -7.066 10.294 238 HG2 ARG 37 HG3 ARG 37 21.016 -5.318 10.160 239 HG3 ARG 37 HG2 ARG 37 19.887 -6.620 9.784 240 HD2 ARG 37 HD3 ARG 37 21.633 -6.565 12.254 241 HD3 ARG 37 HD2 ARG 37 19.959 -6.016 12.220 242 HE ARG 37 HE ARG 37 19.978 -8.600 11.169 243 HH11 ARG 37 HH21 ARG 37 20.794 -6.968 14.109 244 HH12 ARG 37 HH22 ARG 37 20.409 -8.315 15.127 245 HH21 ARG 37 HH11 ARG 37 19.473 -10.372 12.497 246 HH22 ARG 37 HH12 ARG 37 19.662 -10.243 14.214 247 H2 BGC 101 H2 GLC 0 34.562 7.998 -9.359 248 H3 BGC 101 H3 GLC 0 36.179 5.511 -8.543 249 H4 BGC 101 H4 GLC 0 37.129 8.422 -8.736 250 H5 BGC 101 H5 GLC 0 36.644 6.706 -6.207 251 H6C1 BGC 101 H61 GLC 0 37.832 8.221 -5.046 252 H6C2 BGC 101 H62 GLC 0 38.364 8.947 -6.578 253 H1 BGC 101 H1 GLC 0 34.328 6.281 -6.786 254 HB BGC 101 HO2 GLC 0 32.888 6.406 -9.204 255 HC BGC 101 HO3 GLC 0 37.298 5.931 -10.344 256 HD BGC 101 HO4 GLC 0 38.985 7.461 -8.684 257 H6 BGC 101 HO6 GLC 0 36.859 10.002 -4.723 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 29.398 5.940 7.195 2 H2 GLY 1 H2 GLY 1 28.798 6.270 5.641 3 H3 GLY 1 H3 GLY 1 30.102 5.202 5.841 4 HA2 GLY 1 HA3 GLY 1 27.464 4.516 5.654 5 HA3 GLY 1 HA2 GLY 1 28.776 3.472 6.205 6 H LEU 2 H LEU 2 26.429 2.895 7.279 7 HA LEU 2 HA LEU 2 25.278 2.636 9.250 8 HB2 LEU 2 HB3 LEU 2 27.774 3.797 10.523 9 HB3 LEU 2 HB2 LEU 2 26.581 2.753 11.295 10 HG LEU 2 HG LEU 2 28.300 1.951 8.928 11 HD11 LEU 2 HD11 LEU 2 28.549 1.053 11.810 12 HD12 LEU 2 HD12 LEU 2 29.527 2.344 11.112 13 HD13 LEU 2 HD13 LEU 2 29.648 0.704 10.476 14 HD21 LEU 2 HD21 LEU 2 26.383 0.580 8.853 15 HD22 LEU 2 HD22 LEU 2 26.226 0.537 10.610 16 HD23 LEU 2 HD23 LEU 2 27.504 -0.379 9.815 17 H GLY 3 H GLY 3 26.020 5.537 7.969 18 HA2 GLY 3 HA3 GLY 3 25.040 7.255 10.101 19 HA3 GLY 3 HA2 GLY 3 25.524 7.758 8.490 20 H LYS 4 H LYS 4 23.202 8.739 9.661 21 HA LYS 4 HA LYS 4 20.875 7.266 8.973 22 HB2 LYS 4 HB3 LYS 4 19.708 9.345 9.385 23 HB3 LYS 4 HB2 LYS 4 21.061 9.322 10.515 24 HG2 LYS 4 HG3 LYS 4 22.371 10.649 8.695 25 HG3 LYS 4 HG2 LYS 4 20.814 10.894 7.934 26 HD2 LYS 4 HD3 LYS 4 20.950 12.798 9.273 27 HD3 LYS 4 HD2 LYS 4 20.057 11.701 10.326 28 HE2 LYS 4 HE3 LYS 4 22.131 11.085 11.481 29 HE3 LYS 4 HE2 LYS 4 23.059 12.107 10.391 30 HZ1 LYS 4 HZ1 LYS 4 21.714 12.834 12.746 31 HZ2 LYS 4 HZ2 LYS 4 20.990 13.649 11.444 32 HZ3 LYS 4 HZ3 LYS 4 22.657 13.807 11.726 33 H ALA 5 H ALA 5 19.962 6.991 7.030 34 HA ALA 5 HA ALA 5 19.428 7.251 4.834 35 HB1 ALA 5 HB1 ALA 5 19.358 9.386 3.906 36 HB2 ALA 5 HB2 ALA 5 20.833 9.899 4.726 37 HB3 ALA 5 HB3 ALA 5 19.330 9.743 5.633 38 H GLN 6 H GLN 6 22.630 7.650 6.030 39 HA GLN 6 HA GLN 6 23.969 7.583 3.565 40 HB2 GLN 6 HB3 GLN 6 24.752 6.961 6.406 41 HB3 GLN 6 HB2 GLN 6 25.873 6.732 5.088 42 HG2 GLN 6 HG3 GLN 6 24.464 9.345 5.679 43 HG3 GLN 6 HG2 GLN 6 26.110 8.973 6.215 44 HE21 GLN 6 HE21 GLN 6 24.552 10.665 3.857 45 HE22 GLN 6 HE22 GLN 6 25.658 10.492 2.581 46 H CYS 7 H CYS 7 22.942 5.267 5.952 47 HA CYS 7 HA CYS 7 23.999 2.970 4.631 48 HB2 CYS 7 HB3 CYS 7 23.125 3.380 7.124 49 HB3 CYS 7 HB2 CYS 7 21.647 2.699 6.451 50 H ALA 8 H ALA 8 20.702 4.293 4.878 51 HA ALA 8 HA ALA 8 19.504 2.375 3.212 52 HB1 ALA 8 HB1 ALA 8 18.078 3.757 4.515 53 HB2 ALA 8 HB2 ALA 8 17.778 4.222 2.841 54 HB3 ALA 8 HB3 ALA 8 18.801 5.228 3.867 55 H ALA 9 H ALA 9 20.895 5.514 2.449 56 HA ALA 9 HA ALA 9 20.266 5.487 -0.305 57 HB1 ALA 9 HB1 ALA 9 22.559 6.884 1.090 58 HB2 ALA 9 HB2 ALA 9 20.925 7.525 0.931 59 HB3 ALA 9 HB3 ALA 9 21.917 7.272 -0.505 60 H LEU 10 H LEU 10 22.923 4.180 1.571 61 HA LEU 10 HA LEU 10 24.693 3.649 -0.554 62 HB2 LEU 10 HB3 LEU 10 25.262 3.603 1.841 63 HB3 LEU 10 HB2 LEU 10 24.264 2.177 2.050 64 HG LEU 10 HG LEU 10 25.701 0.848 0.617 65 HD11 LEU 10 HD11 LEU 10 26.509 2.284 -1.075 66 HD12 LEU 10 HD12 LEU 10 27.935 1.985 -0.095 67 HD13 LEU 10 HD13 LEU 10 27.052 3.500 0.086 68 HD21 LEU 10 HD21 LEU 10 27.873 1.133 1.946 69 HD22 LEU 10 HD22 LEU 10 26.413 0.921 2.905 70 HD23 LEU 10 HD23 LEU 10 27.115 2.522 2.714 71 H TRP 11 H TRP 11 21.971 1.703 0.790 72 HA TRP 11 HA TRP 11 22.502 -0.434 -1.110 73 HB2 TRP 11 HB3 TRP 11 21.239 -1.560 0.401 74 HB3 TRP 11 HB2 TRP 11 20.904 -0.052 1.240 75 HD1 TRP 11 HD1 TRP 11 18.576 1.009 0.959 76 HE1 TRP 11 HE1 TRP 11 16.384 0.260 -0.165 77 HE3 TRP 11 HE3 TRP 11 20.344 -2.872 -1.834 78 HZ2 TRP 11 HZ2 TRP 11 15.510 -1.716 -2.050 79 HZ3 TRP 11 HZ3 TRP 11 18.814 -4.169 -3.290 80 HH2 TRP 11 HH2 TRP 11 16.403 -3.595 -3.404 81 H LEU 12 H LEU 12 20.197 2.230 -0.810 82 HA LEU 12 HA LEU 12 18.604 1.608 -3.030 83 HB2 LEU 12 HB3 LEU 12 18.416 3.408 -1.076 84 HB3 LEU 12 HB2 LEU 12 19.114 4.466 -2.287 85 HG LEU 12 HG LEU 12 16.725 4.661 -2.449 86 HD11 LEU 12 HD11 LEU 12 16.426 4.274 -4.748 87 HD12 LEU 12 HD12 LEU 12 17.431 2.825 -4.737 88 HD13 LEU 12 HD13 LEU 12 18.172 4.416 -4.572 89 HD21 LEU 12 HD21 LEU 12 16.527 2.125 -1.482 90 HD22 LEU 12 HD22 LEU 12 16.223 1.806 -3.190 91 HD23 LEU 12 HD23 LEU 12 15.210 2.944 -2.310 92 H GLN 13 H GLN 13 21.493 3.663 -2.756 93 HA GLN 13 HA GLN 13 21.545 4.617 -5.391 94 HB2 GLN 13 HB3 GLN 13 23.651 4.120 -3.289 95 HB3 GLN 13 HB2 GLN 13 24.058 4.781 -4.865 96 HG2 GLN 13 HG3 GLN 13 22.509 6.584 -4.552 97 HG3 GLN 13 HG2 GLN 13 21.982 5.958 -3.018 98 HE21 GLN 13 HE21 GLN 13 24.135 5.462 -1.541 99 HE22 GLN 13 HE22 GLN 13 25.201 6.784 -1.449 100 H CYS 14 H CYS 14 22.826 1.734 -3.890 101 HA CYS 14 HA CYS 14 24.308 0.728 -6.033 102 HB2 CYS 14 HB3 CYS 14 23.766 -0.159 -3.514 103 HB3 CYS 14 HB2 CYS 14 22.791 -1.281 -4.452 104 H ALA 15 H ALA 15 21.021 1.256 -5.852 105 HA ALA 15 HA ALA 15 20.064 -0.842 -7.501 106 HB1 ALA 15 HB1 ALA 15 18.041 0.415 -7.578 107 HB2 ALA 15 HB2 ALA 15 18.891 1.914 -7.195 108 HB3 ALA 15 HB3 ALA 15 18.720 0.658 -5.967 109 H SER 16 H SER 16 21.301 2.385 -8.073 110 HA SER 16 HA SER 16 21.083 1.984 -10.988 111 HB2 SER 16 HB3 SER 16 21.256 4.440 -9.268 112 HB3 SER 16 HB2 SER 16 21.632 4.508 -10.989 113 HG SER 16 HG SER 16 19.389 3.112 -10.645 114 H GLY 17 H GLY 17 23.309 2.648 -8.375 115 HA2 GLY 17 HA3 GLY 17 25.574 1.797 -8.488 116 HA3 GLY 17 HA2 GLY 17 25.583 2.159 -10.212 117 H GLY 18 H GLY 18 24.289 4.262 -7.701 118 HA2 GLY 18 HA3 GLY 18 26.456 6.212 -8.259 119 HA3 GLY 18 HA2 GLY 18 24.782 6.675 -8.029 120 H THR 19 H THR 19 27.034 4.569 -6.271 121 HA THR 19 HA THR 19 26.030 5.463 -3.728 122 HB THR 19 HB THR 19 27.326 3.744 -2.782 123 HG1 THR 19 HG1 THR 19 28.920 3.306 -5.011 124 HG21 THR 19 HG21 THR 19 26.896 2.846 -5.658 125 HG22 THR 19 HG22 THR 19 25.618 2.908 -4.443 126 HG23 THR 19 HG23 THR 19 26.980 1.805 -4.241 127 H ILE 20 H ILE 20 27.716 6.026 -2.015 128 HA ILE 20 HA ILE 20 29.067 8.421 -2.828 129 HB ILE 20 HB ILE 20 29.218 6.915 -0.200 130 HG12 ILE 20 HG13 ILE 20 27.401 9.227 -0.927 131 HG13 ILE 20 HG12 ILE 20 26.880 7.547 -1.004 132 HG21 ILE 20 HG21 ILE 20 30.958 8.553 -0.308 133 HG22 ILE 20 HG22 ILE 20 29.659 9.287 0.632 134 HG23 ILE 20 HG23 ILE 20 29.889 9.739 -1.057 135 HD11 ILE 20 HD11 ILE 20 27.569 7.303 1.412 136 HD12 ILE 20 HD12 ILE 20 26.217 8.407 1.153 137 HD13 ILE 20 HD13 ILE 20 27.834 9.047 1.450 138 H GLY 21 H GLY 21 29.915 5.093 -2.436 139 HA2 GLY 21 HA3 GLY 21 32.687 5.324 -1.972 140 HA3 GLY 21 HA2 GLY 21 31.891 3.938 -2.704 141 H CYS 22 H CYS 22 30.765 5.618 -4.845 142 HA CYS 22 HA CYS 22 31.297 5.985 -7.060 143 HB2 CYS 22 HB3 CYS 22 31.843 8.162 -6.249 144 HB3 CYS 22 HB2 CYS 22 33.371 7.598 -5.577 145 H GLY 23 H GLY 23 31.854 3.887 -7.688 146 HA2 GLY 23 HA3 GLY 23 33.926 3.254 -9.145 147 HA3 GLY 23 HA2 GLY 23 34.688 3.094 -7.567 148 H GLY 24 H GLY 24 32.755 1.601 -9.917 149 HA2 GLY 24 HA3 GLY 24 31.695 -0.443 -10.053 150 HA3 GLY 24 HA2 GLY 24 32.959 -0.978 -8.952 151 H GLY 25 H GLY 25 30.036 1.072 -8.713 152 HA2 GLY 25 HA3 GLY 25 29.481 0.477 -6.025 153 HA3 GLY 25 HA2 GLY 25 28.304 1.067 -7.193 154 H ALA 26 H ALA 26 29.568 -1.696 -8.492 155 HA ALA 26 HA ALA 26 27.199 -3.167 -8.188 156 HB1 ALA 26 HB1 ALA 26 29.987 -3.978 -8.993 157 HB2 ALA 26 HB2 ALA 26 28.601 -3.680 -10.042 158 HB3 ALA 26 HB3 ALA 26 28.629 -5.104 -9.002 159 H VAL 27 H VAL 27 30.329 -3.435 -6.602 160 HA VAL 27 HA VAL 27 29.612 -5.595 -4.873 161 HB VAL 27 HB VAL 27 31.952 -5.011 -5.579 162 HG11 VAL 27 HG11 VAL 27 31.636 -2.538 -5.211 163 HG12 VAL 27 HG12 VAL 27 33.113 -3.196 -4.513 164 HG13 VAL 27 HG13 VAL 27 31.728 -2.843 -3.482 165 HG21 VAL 27 HG21 VAL 27 31.526 -5.049 -2.575 166 HG22 VAL 27 HG22 VAL 27 32.978 -5.557 -3.431 167 HG23 VAL 27 HG23 VAL 27 31.486 -6.478 -3.604 168 H ALA 28 H ALA 28 29.065 -2.172 -4.732 169 HA ALA 28 HA ALA 28 28.973 -1.807 -1.936 170 HB1 ALA 28 HB1 ALA 28 28.629 0.284 -2.729 171 HB2 ALA 28 HB2 ALA 28 26.954 -0.170 -3.037 172 HB3 ALA 28 HB3 ALA 28 28.166 -0.342 -4.297 173 H CYS 29 H CYS 29 26.705 -3.303 -4.159 174 HA CYS 29 HA CYS 29 24.398 -3.178 -2.584 175 HB2 CYS 29 HB3 CYS 29 25.288 -5.399 -4.418 176 HB3 CYS 29 HB2 CYS 29 23.671 -5.160 -3.796 177 H GLN 30 H GLN 30 26.880 -5.726 -2.819 178 HA GLN 30 HA GLN 30 25.610 -7.313 -0.822 179 HB2 GLN 30 HB3 GLN 30 27.873 -8.536 -0.711 180 HB3 GLN 30 HB2 GLN 30 26.983 -8.597 -2.225 181 HG2 GLN 30 HG3 GLN 30 29.102 -8.076 -3.004 182 HG3 GLN 30 HG2 GLN 30 28.443 -6.468 -2.807 183 HE21 GLN 30 HE21 GLN 30 30.476 -8.913 -1.158 184 HE22 GLN 30 HE22 GLN 30 31.353 -7.790 -0.235 185 H ASN 31 H ASN 31 28.027 -4.821 -0.689 186 HA ASN 31 HA ASN 31 29.082 -5.191 1.847 187 HB2 ASN 31 HB3 ASN 31 28.453 -2.703 0.231 188 HB3 ASN 31 HB2 ASN 31 29.187 -2.632 1.819 189 HD21 ASN 31 HD21 ASN 31 29.964 -3.312 -1.518 190 HD22 ASN 31 HD22 ASN 31 31.558 -3.842 -1.244 191 H TYR 32 H TYR 32 25.975 -3.957 0.880 192 HA TYR 32 HA TYR 32 25.150 -2.773 3.265 193 HB2 TYR 32 HB3 TYR 32 23.842 -2.450 1.296 194 HB3 TYR 32 HB2 TYR 32 23.598 -4.185 1.112 195 HD1 TYR 32 HD2 TYR 32 22.278 -5.441 2.774 196 HD2 TYR 32 HD1 TYR 32 22.438 -1.154 2.766 197 HE1 TYR 32 HE2 TYR 32 20.292 -5.387 4.201 198 HE2 TYR 32 HE1 TYR 32 20.428 -1.075 4.195 199 HH TYR 32 HH TYR 32 18.411 -2.692 4.652 200 H ARG 33 H ARG 33 24.741 -6.196 2.263 201 HA ARG 33 HA ARG 33 23.330 -6.922 4.608 202 HB2 ARG 33 HB3 ARG 33 23.969 -8.233 2.298 203 HB3 ARG 33 HB2 ARG 33 25.115 -8.996 3.412 204 HG2 ARG 33 HG3 ARG 33 23.249 -10.370 3.649 205 HG3 ARG 33 HG2 ARG 33 23.036 -9.243 4.991 206 HD2 ARG 33 HD3 ARG 33 20.889 -9.337 3.950 207 HD3 ARG 33 HD2 ARG 33 21.585 -7.841 3.339 208 HE ARG 33 HE ARG 33 21.272 -10.365 1.838 209 HH11 ARG 33 HH21 ARG 33 22.217 -7.022 1.935 210 HH12 ARG 33 HH22 ARG 33 22.204 -6.839 0.216 211 HH21 ARG 33 HH11 ARG 33 21.275 -10.110 -0.414 212 HH22 ARG 33 HH12 ARG 33 21.679 -8.575 -1.109 213 H GLN 34 H GLN 34 26.729 -6.866 3.765 214 HA GLN 34 HA GLN 34 27.795 -8.099 6.071 215 HB2 GLN 34 HB3 GLN 34 29.016 -5.934 4.381 216 HB3 GLN 34 HB2 GLN 34 29.875 -7.135 5.333 217 HG2 GLN 34 HG3 GLN 34 28.959 -8.931 3.934 218 HG3 GLN 34 HG2 GLN 34 28.050 -7.752 3.000 219 HE21 GLN 34 HE21 GLN 34 29.059 -7.266 1.069 220 HE22 GLN 34 HE22 GLN 34 30.741 -7.217 0.829 221 H PHE 35 H PHE 35 27.183 -4.660 5.326 222 HA PHE 35 HA PHE 35 28.097 -3.874 7.995 223 HB2 PHE 35 HB3 PHE 35 27.148 -2.339 5.580 224 HB3 PHE 35 HB2 PHE 35 27.390 -1.544 7.131 225 HD1 PHE 35 HD1 PHE 35 29.802 -2.410 8.307 226 HD2 PHE 35 HD2 PHE 35 28.953 -2.099 4.086 227 HE1 PHE 35 HE1 PHE 35 32.214 -2.254 7.818 228 HE2 PHE 35 HE2 PHE 35 31.374 -1.957 3.620 229 HZ PHE 35 HZ PHE 35 33.004 -2.029 5.482 230 H CYS 36 H CYS 36 25.123 -3.570 6.042 231 HA CYS 36 HA CYS 36 23.610 -3.240 8.545 232 HB2 CYS 36 HB3 CYS 36 23.306 -2.208 5.765 233 HB3 CYS 36 HB2 CYS 36 21.829 -2.540 6.659 234 H ARG 37 H ARG 37 23.011 -5.187 9.223 235 HA ARG 37 HA ARG 37 22.687 -7.533 7.883 236 HB2 ARG 37 HB3 ARG 37 21.247 -8.258 9.674 237 HB3 ARG 37 HB2 ARG 37 22.496 -7.232 10.354 238 HG2 ARG 37 HG3 ARG 37 20.883 -5.306 10.267 239 HG3 ARG 37 HG2 ARG 37 19.636 -6.428 9.726 240 HD2 ARG 37 HD3 ARG 37 19.928 -7.754 11.783 241 HD3 ARG 37 HD2 ARG 37 21.172 -6.634 12.328 242 HE ARG 37 HE ARG 37 18.667 -5.336 11.722 243 HH11 ARG 37 HH21 ARG 37 20.499 -7.095 14.075 244 HH12 ARG 37 HH22 ARG 37 19.659 -6.422 15.431 245 HH21 ARG 37 HH11 ARG 37 17.564 -4.451 13.498 246 HH22 ARG 37 HH12 ARG 37 17.999 -4.926 15.106 247 H2 BGC 101 H2 GLC 0 34.840 8.299 -9.892 248 H3 BGC 101 H3 GLC 0 36.322 5.754 -9.005 249 H4 BGC 101 H4 GLC 0 37.331 8.652 -8.979 250 H5 BGC 101 H5 GLC 0 36.550 6.851 -6.587 251 H6C1 BGC 101 H61 GLC 0 37.627 8.298 -5.246 252 H6C2 BGC 101 H62 GLC 0 38.332 9.072 -6.683 253 H1 BGC 101 H1 GLC 0 34.304 6.491 -7.429 254 HB BGC 101 HO2 GLC 0 33.136 6.734 -9.981 255 HC BGC 101 HO3 GLC 0 37.636 6.220 -10.658 256 HD BGC 101 HO4 GLC 0 39.156 7.655 -8.767 257 H6 BGC 101 HO6 GLC 0 36.651 10.084 -4.960 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 28.912 5.180 6.119 2 H2 GLY 1 H2 GLY 1 30.559 5.318 5.723 3 H3 GLY 1 H3 GLY 1 29.810 6.504 6.682 4 HA2 GLY 1 HA3 GLY 1 30.565 3.743 7.407 5 HA3 GLY 1 HA2 GLY 1 30.975 5.249 8.229 6 H LEU 2 H LEU 2 28.089 3.415 7.206 7 HA LEU 2 HA LEU 2 26.027 3.161 8.188 8 HB2 LEU 2 HB3 LEU 2 28.030 2.853 10.398 9 HB3 LEU 2 HB2 LEU 2 26.318 2.849 10.815 10 HG LEU 2 HG LEU 2 27.188 1.124 8.514 11 HD11 LEU 2 HD11 LEU 2 27.717 0.511 11.434 12 HD12 LEU 2 HD12 LEU 2 28.888 0.532 10.117 13 HD13 LEU 2 HD13 LEU 2 27.656 -0.728 10.181 14 HD21 LEU 2 HD21 LEU 2 24.785 1.421 9.388 15 HD22 LEU 2 HD22 LEU 2 25.302 0.503 10.800 16 HD23 LEU 2 HD23 LEU 2 25.353 -0.237 9.201 17 H GLY 3 H GLY 3 24.831 4.911 7.895 18 HA2 GLY 3 HA3 GLY 3 24.580 6.801 10.101 19 HA3 GLY 3 HA2 GLY 3 25.067 7.493 8.562 20 H LYS 4 H LYS 4 22.753 8.310 9.722 21 HA LYS 4 HA LYS 4 20.444 6.861 8.959 22 HB2 LYS 4 HB3 LYS 4 19.233 8.893 9.493 23 HB3 LYS 4 HB2 LYS 4 20.591 8.838 10.619 24 HG2 LYS 4 HG3 LYS 4 21.870 10.319 8.974 25 HG3 LYS 4 HG2 LYS 4 20.371 10.515 8.096 26 HD2 LYS 4 HD3 LYS 4 20.663 11.209 11.037 27 HD3 LYS 4 HD2 LYS 4 20.811 12.380 9.728 28 HE2 LYS 4 HE3 LYS 4 18.488 11.591 8.971 29 HE3 LYS 4 HE2 LYS 4 18.371 10.789 10.537 30 HZ1 LYS 4 HZ1 LYS 4 17.418 12.920 10.778 31 HZ2 LYS 4 HZ2 LYS 4 18.727 13.684 10.009 32 HZ3 LYS 4 HZ3 LYS 4 18.929 12.989 11.547 33 H ALA 5 H ALA 5 19.541 6.638 7.016 34 HA ALA 5 HA ALA 5 19.005 6.942 4.811 35 HB1 ALA 5 HB1 ALA 5 18.890 9.121 3.956 36 HB2 ALA 5 HB2 ALA 5 20.293 9.664 4.874 37 HB3 ALA 5 HB3 ALA 5 18.758 9.384 5.694 38 H GLN 6 H GLN 6 22.177 7.456 6.041 39 HA GLN 6 HA GLN 6 23.511 7.562 3.577 40 HB2 GLN 6 HB3 GLN 6 24.316 6.949 6.403 41 HB3 GLN 6 HB2 GLN 6 25.455 6.746 5.099 42 HG2 GLN 6 HG3 GLN 6 23.946 9.319 5.617 43 HG3 GLN 6 HG2 GLN 6 25.578 9.008 6.227 44 HE21 GLN 6 HE21 GLN 6 24.076 10.613 3.777 45 HE22 GLN 6 HE22 GLN 6 25.245 10.456 2.557 46 H CYS 7 H CYS 7 22.620 5.078 5.869 47 HA CYS 7 HA CYS 7 23.828 2.938 4.428 48 HB2 CYS 7 HB3 CYS 7 22.388 3.253 6.901 49 HB3 CYS 7 HB2 CYS 7 21.695 1.900 6.015 50 H ALA 8 H ALA 8 20.467 4.041 4.718 51 HA ALA 8 HA ALA 8 19.390 2.144 2.944 52 HB1 ALA 8 HB1 ALA 8 18.512 4.900 3.788 53 HB2 ALA 8 HB2 ALA 8 17.873 3.343 4.320 54 HB3 ALA 8 HB3 ALA 8 17.554 3.915 2.682 55 H ALA 9 H ALA 9 20.537 5.428 2.376 56 HA ALA 9 HA ALA 9 19.923 5.488 -0.377 57 HB1 ALA 9 HB1 ALA 9 21.373 7.434 -0.483 58 HB2 ALA 9 HB2 ALA 9 22.091 7.021 1.074 59 HB3 ALA 9 HB3 ALA 9 20.399 7.511 0.984 60 H LEU 10 H LEU 10 22.644 4.266 1.452 61 HA LEU 10 HA LEU 10 24.465 4.023 -0.684 62 HB2 LEU 10 HB3 LEU 10 25.117 3.847 1.643 63 HB3 LEU 10 HB2 LEU 10 24.124 2.412 1.831 64 HG LEU 10 HG LEU 10 25.471 1.125 0.312 65 HD11 LEU 10 HD11 LEU 10 27.662 2.253 -0.526 66 HD12 LEU 10 HD12 LEU 10 26.829 3.779 -0.235 67 HD13 LEU 10 HD13 LEU 10 26.171 2.618 -1.392 68 HD21 LEU 10 HD21 LEU 10 26.324 1.142 2.550 69 HD22 LEU 10 HD22 LEU 10 27.018 2.746 2.364 70 HD23 LEU 10 HD23 LEU 10 27.726 1.379 1.518 71 H TRP 11 H TRP 11 22.000 1.758 0.601 72 HA TRP 11 HA TRP 11 22.657 -0.207 -1.408 73 HB2 TRP 11 HB3 TRP 11 21.715 -1.288 0.384 74 HB3 TRP 11 HB2 TRP 11 20.668 0.067 0.792 75 HD1 TRP 11 HD1 TRP 11 18.275 -0.522 0.472 76 HE1 TRP 11 HE1 TRP 11 16.880 -1.966 -1.144 77 HE3 TRP 11 HE3 TRP 11 21.993 -2.224 -2.551 78 HZ2 TRP 11 HZ2 TRP 11 17.310 -3.600 -3.468 79 HZ3 TRP 11 HZ3 TRP 11 21.486 -3.705 -4.466 80 HH2 TRP 11 HH2 TRP 11 19.151 -4.395 -4.930 81 H LEU 12 H LEU 12 20.118 2.228 -0.965 82 HA LEU 12 HA LEU 12 18.601 1.536 -3.223 83 HB2 LEU 12 HB3 LEU 12 18.225 3.224 -1.184 84 HB3 LEU 12 HB2 LEU 12 18.758 4.401 -2.366 85 HG LEU 12 HG LEU 12 16.353 4.269 -2.497 86 HD11 LEU 12 HD11 LEU 12 17.810 4.267 -4.647 87 HD12 LEU 12 HD12 LEU 12 16.090 3.922 -4.807 88 HD13 LEU 12 HD13 LEU 12 17.259 2.606 -4.843 89 HD21 LEU 12 HD21 LEU 12 16.200 1.422 -3.358 90 HD22 LEU 12 HD22 LEU 12 15.119 2.351 -2.326 91 HD23 LEU 12 HD23 LEU 12 16.586 1.659 -1.653 92 H GLN 13 H GLN 13 21.296 3.825 -2.850 93 HA GLN 13 HA GLN 13 21.189 4.940 -5.422 94 HB2 GLN 13 HB3 GLN 13 23.429 4.529 -3.446 95 HB3 GLN 13 HB2 GLN 13 23.675 5.345 -4.982 96 HG2 GLN 13 HG3 GLN 13 21.440 6.187 -3.161 97 HG3 GLN 13 HG2 GLN 13 23.071 6.786 -2.900 98 HE21 GLN 13 HE21 GLN 13 22.345 6.099 -6.202 99 HE22 GLN 13 HE22 GLN 13 22.066 7.699 -6.702 100 H CYS 14 H CYS 14 22.776 2.039 -4.183 101 HA CYS 14 HA CYS 14 24.201 1.390 -6.537 102 HB2 CYS 14 HB3 CYS 14 24.730 0.337 -4.406 103 HB3 CYS 14 HB2 CYS 14 23.125 -0.384 -4.336 104 H ALA 15 H ALA 15 20.988 1.718 -6.225 105 HA ALA 15 HA ALA 15 19.969 -0.575 -7.540 106 HB1 ALA 15 HB1 ALA 15 17.978 0.833 -7.921 107 HB2 ALA 15 HB2 ALA 15 18.892 2.240 -7.384 108 HB3 ALA 15 HB3 ALA 15 18.542 0.932 -6.253 109 H SER 16 H SER 16 21.153 2.543 -8.631 110 HA SER 16 HA SER 16 20.843 1.691 -11.439 111 HB2 SER 16 HB3 SER 16 19.748 3.807 -10.910 112 HB3 SER 16 HB2 SER 16 21.260 4.450 -10.275 113 HG SER 16 HG SER 16 22.097 4.484 -12.289 114 H GLY 17 H GLY 17 23.134 2.538 -8.995 115 HA2 GLY 17 HA3 GLY 17 25.380 1.446 -9.476 116 HA3 GLY 17 HA2 GLY 17 25.362 2.409 -10.949 117 H GLY 18 H GLY 18 24.380 3.241 -7.634 118 HA2 GLY 18 HA3 GLY 18 26.460 5.354 -7.596 119 HA3 GLY 18 HA2 GLY 18 24.812 5.647 -7.048 120 H THR 19 H THR 19 27.577 5.574 -5.740 121 HA THR 19 HA THR 19 26.684 4.403 -3.252 122 HB THR 19 HB THR 19 27.613 2.392 -4.016 123 HG1 THR 19 HG1 THR 19 29.797 2.385 -3.007 124 HG21 THR 19 HG21 THR 19 28.571 2.993 -6.113 125 HG22 THR 19 HG22 THR 19 29.935 2.407 -5.158 126 HG23 THR 19 HG23 THR 19 29.688 4.137 -5.369 127 H ILE 20 H ILE 20 28.102 4.951 -1.447 128 HA ILE 20 HA ILE 20 29.108 7.637 -1.625 129 HB ILE 20 HB ILE 20 29.389 5.592 0.603 130 HG12 ILE 20 HG13 ILE 20 27.331 7.794 0.271 131 HG13 ILE 20 HG12 ILE 20 27.025 6.112 -0.157 132 HG21 ILE 20 HG21 ILE 20 29.563 7.712 1.985 133 HG22 ILE 20 HG22 ILE 20 29.726 8.600 0.470 134 HG23 ILE 20 HG23 ILE 20 30.939 7.404 0.926 135 HD11 ILE 20 HD11 ILE 20 27.459 5.411 2.151 136 HD12 ILE 20 HD12 ILE 20 26.215 6.661 2.136 137 HD13 ILE 20 HD13 ILE 20 27.868 7.068 2.600 138 H GLY 21 H GLY 21 30.531 4.404 -1.350 139 HA2 GLY 21 HA3 GLY 21 33.216 5.202 -1.036 140 HA3 GLY 21 HA2 GLY 21 32.682 3.636 -1.626 141 H CYS 22 H CYS 22 31.147 5.117 -3.781 142 HA CYS 22 HA CYS 22 31.457 5.575 -6.009 143 HB2 CYS 22 HB3 CYS 22 32.168 7.727 -5.272 144 HB3 CYS 22 HB2 CYS 22 33.733 7.105 -4.755 145 H GLY 23 H GLY 23 31.940 3.890 -7.257 146 HA2 GLY 23 HA3 GLY 23 33.959 3.183 -8.671 147 HA3 GLY 23 HA2 GLY 23 34.644 2.690 -7.127 148 H GLY 24 H GLY 24 32.672 1.795 -9.728 149 HA2 GLY 24 HA3 GLY 24 31.375 -0.058 -10.193 150 HA3 GLY 24 HA2 GLY 24 32.542 -0.899 -9.178 151 H GLY 25 H GLY 25 29.628 1.143 -8.948 152 HA2 GLY 25 HA3 GLY 25 28.975 0.592 -6.289 153 HA3 GLY 25 HA2 GLY 25 27.813 1.033 -7.532 154 H ALA 26 H ALA 26 29.274 -1.625 -8.737 155 HA ALA 26 HA ALA 26 27.042 -3.288 -8.418 156 HB1 ALA 26 HB1 ALA 26 29.861 -4.207 -8.989 157 HB2 ALA 26 HB2 ALA 26 28.808 -3.479 -10.202 158 HB3 ALA 26 HB3 ALA 26 28.360 -5.011 -9.450 159 H VAL 27 H VAL 27 30.185 -3.343 -6.804 160 HA VAL 27 HA VAL 27 29.531 -5.502 -5.035 161 HB VAL 27 HB VAL 27 31.860 -4.872 -5.737 162 HG11 VAL 27 HG11 VAL 27 32.962 -3.004 -4.709 163 HG12 VAL 27 HG12 VAL 27 31.565 -2.665 -3.691 164 HG13 VAL 27 HG13 VAL 27 31.474 -2.398 -5.426 165 HG21 VAL 27 HG21 VAL 27 31.395 -4.854 -2.740 166 HG22 VAL 27 HG22 VAL 27 32.876 -5.334 -3.563 167 HG23 VAL 27 HG23 VAL 27 31.417 -6.306 -3.740 168 H ALA 28 H ALA 28 28.869 -2.123 -5.019 169 HA ALA 28 HA ALA 28 28.780 -1.598 -2.260 170 HB1 ALA 28 HB1 ALA 28 26.912 -0.488 -4.342 171 HB2 ALA 28 HB2 ALA 28 28.540 0.113 -4.065 172 HB3 ALA 28 HB3 ALA 28 27.325 0.238 -2.802 173 H CYS 29 H CYS 29 26.549 -3.303 -4.360 174 HA CYS 29 HA CYS 29 24.245 -3.204 -2.767 175 HB2 CYS 29 HB3 CYS 29 25.247 -5.440 -4.527 176 HB3 CYS 29 HB2 CYS 29 23.619 -5.279 -3.904 177 H GLN 30 H GLN 30 26.836 -5.644 -2.922 178 HA GLN 30 HA GLN 30 25.656 -7.203 -0.854 179 HB2 GLN 30 HB3 GLN 30 27.965 -8.322 -0.737 180 HB3 GLN 30 HB2 GLN 30 27.072 -8.460 -2.244 181 HG2 GLN 30 HG3 GLN 30 29.160 -7.858 -3.047 182 HG3 GLN 30 HG2 GLN 30 28.426 -6.282 -2.882 183 HE21 GLN 30 HE21 GLN 30 30.627 -8.574 -1.235 184 HE22 GLN 30 HE22 GLN 30 31.433 -7.390 -0.323 185 H ASN 31 H ASN 31 27.959 -4.603 -0.869 186 HA ASN 31 HA ASN 31 29.078 -4.834 1.661 187 HB2 ASN 31 HB3 ASN 31 28.363 -2.461 -0.074 188 HB3 ASN 31 HB2 ASN 31 29.068 -2.258 1.510 189 HD21 ASN 31 HD21 ASN 31 29.929 -3.080 -1.766 190 HD22 ASN 31 HD22 ASN 31 31.536 -3.529 -1.436 191 H TYR 32 H TYR 32 25.921 -3.716 0.700 192 HA TYR 32 HA TYR 32 25.110 -2.454 3.051 193 HB2 TYR 32 HB3 TYR 32 23.754 -2.271 1.087 194 HB3 TYR 32 HB2 TYR 32 23.566 -4.023 1.005 195 HD1 TYR 32 HD1 TYR 32 22.315 -5.227 2.722 196 HD2 TYR 32 HD2 TYR 32 22.363 -0.943 2.563 197 HE1 TYR 32 HE1 TYR 32 20.366 -5.171 4.203 198 HE2 TYR 32 HE2 TYR 32 20.380 -0.865 4.040 199 HH TYR 32 HH TYR 32 18.396 -3.383 4.589 200 H ARG 33 H ARG 33 24.825 -5.908 2.173 201 HA ARG 33 HA ARG 33 23.470 -6.633 4.548 202 HB2 ARG 33 HB3 ARG 33 24.107 -7.963 2.260 203 HB3 ARG 33 HB2 ARG 33 25.313 -8.660 3.359 204 HG2 ARG 33 HG3 ARG 33 23.511 -10.097 3.695 205 HG3 ARG 33 HG2 ARG 33 23.273 -8.932 4.999 206 HD2 ARG 33 HD3 ARG 33 21.114 -9.145 3.988 207 HD3 ARG 33 HD2 ARG 33 21.746 -7.640 3.339 208 HE ARG 33 HE ARG 33 21.514 -10.202 1.894 209 HH11 ARG 33 HH21 ARG 33 22.288 -6.813 1.915 210 HH12 ARG 33 HH22 ARG 33 22.275 -6.674 0.192 211 HH21 ARG 33 HH11 ARG 33 21.495 -10.004 -0.346 212 HH22 ARG 33 HH12 ARG 33 21.830 -8.475 -1.089 213 H GLN 34 H GLN 34 26.876 -6.515 3.691 214 HA GLN 34 HA GLN 34 27.949 -7.655 6.049 215 HB2 GLN 34 HB3 GLN 34 29.195 -5.548 4.305 216 HB3 GLN 34 HB2 GLN 34 30.029 -6.743 5.286 217 HG2 GLN 34 HG3 GLN 34 29.156 -8.550 3.910 218 HG3 GLN 34 HG2 GLN 34 28.199 -7.411 2.970 219 HE21 GLN 34 HE21 GLN 34 29.158 -6.913 1.024 220 HE22 GLN 34 HE22 GLN 34 30.833 -6.829 0.748 221 H PHE 35 H PHE 35 27.264 -4.261 5.172 222 HA PHE 35 HA PHE 35 28.191 -3.355 7.797 223 HB2 PHE 35 HB3 PHE 35 27.165 -1.916 5.352 224 HB3 PHE 35 HB2 PHE 35 27.458 -1.076 6.870 225 HD1 PHE 35 HD2 PHE 35 29.905 -1.881 7.992 226 HD2 PHE 35 HD1 PHE 35 28.920 -1.749 3.791 227 HE1 PHE 35 HE2 PHE 35 32.303 -1.754 7.417 228 HE2 PHE 35 HE1 PHE 35 31.329 -1.632 3.241 229 HZ PHE 35 HZ PHE 35 33.015 -1.630 5.052 230 H CYS 36 H CYS 36 25.182 -3.160 5.865 231 HA CYS 36 HA CYS 36 23.699 -2.804 8.382 232 HB2 CYS 36 HB3 CYS 36 23.339 -1.833 5.591 233 HB3 CYS 36 HB2 CYS 36 21.876 -2.195 6.496 234 H ARG 37 H ARG 37 23.121 -4.738 9.125 235 HA ARG 37 HA ARG 37 22.513 -6.961 7.404 236 HB2 ARG 37 HB3 ARG 37 22.239 -6.525 10.380 237 HB3 ARG 37 HB2 ARG 37 21.775 -8.029 9.585 238 HG2 ARG 37 HG3 ARG 37 24.054 -8.291 8.706 239 HG3 ARG 37 HG2 ARG 37 24.529 -6.765 9.453 240 HD2 ARG 37 HD3 ARG 37 24.023 -7.682 11.677 241 HD3 ARG 37 HD2 ARG 37 23.510 -9.199 10.945 242 HE ARG 37 HE ARG 37 26.123 -8.679 10.074 243 HH11 ARG 37 HH21 ARG 37 24.367 -9.331 12.983 244 HH12 ARG 37 HH22 ARG 37 25.696 -10.113 13.773 245 HH21 ARG 37 HH11 ARG 37 27.869 -9.703 11.102 246 HH22 ARG 37 HH12 ARG 37 27.679 -10.324 12.708 247 H2 BGC 101 H2 GLC 0 34.780 7.745 -9.200 248 H3 BGC 101 H3 GLC 0 36.243 5.143 -8.459 249 H4 BGC 101 H4 GLC 0 37.363 7.998 -8.549 250 H5 BGC 101 H5 GLC 0 36.760 6.231 -6.081 251 H6C1 BGC 101 H61 GLC 0 38.025 7.635 -4.864 252 H6C2 BGC 101 H62 GLC 0 38.610 8.378 -6.368 253 H1 BGC 101 H1 GLC 0 34.428 5.961 -6.688 254 HB BGC 101 HO2 GLC 0 33.015 6.250 -9.108 255 HC BGC 101 HO3 GLC 0 37.398 5.556 -10.239 256 HD BGC 101 HO4 GLC 0 39.160 6.929 -8.519 257 H6 BGC 101 HO6 GLC 0 37.156 9.457 -4.487 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 26.976 4.933 4.521 2 H2 GLY 1 H2 GLY 1 26.964 3.369 5.185 3 H3 GLY 1 H3 GLY 1 27.861 3.691 3.778 4 HA2 GLY 1 HA3 GLY 1 29.502 3.683 5.373 5 HA3 GLY 1 HA2 GLY 1 29.097 5.396 5.243 6 H LEU 2 H LEU 2 27.035 2.939 6.688 7 HA LEU 2 HA LEU 2 26.153 2.722 8.799 8 HB2 LEU 2 HB3 LEU 2 28.797 3.906 9.697 9 HB3 LEU 2 HB2 LEU 2 27.715 2.903 10.657 10 HG LEU 2 HG LEU 2 29.089 2.000 8.107 11 HD11 LEU 2 HD11 LEU 2 30.552 0.694 9.597 12 HD12 LEU 2 HD12 LEU 2 29.733 1.367 11.008 13 HD13 LEU 2 HD13 LEU 2 30.687 2.416 9.958 14 HD21 LEU 2 HD21 LEU 2 27.261 0.671 10.115 15 HD22 LEU 2 HD22 LEU 2 28.418 -0.288 9.194 16 HD23 LEU 2 HD23 LEU 2 27.180 0.637 8.352 17 H GLY 3 H GLY 3 26.701 5.582 7.358 18 HA2 GLY 3 HA3 GLY 3 25.949 7.333 9.570 19 HA3 GLY 3 HA2 GLY 3 26.328 7.827 7.927 20 H LYS 4 H LYS 4 24.150 8.865 9.230 21 HA LYS 4 HA LYS 4 21.729 7.457 8.763 22 HB2 LYS 4 HB3 LYS 4 20.640 9.574 9.243 23 HB3 LYS 4 HB2 LYS 4 22.080 9.535 10.263 24 HG2 LYS 4 HG3 LYS 4 23.283 10.871 8.460 25 HG3 LYS 4 HG2 LYS 4 21.745 11.036 7.641 26 HD2 LYS 4 HD3 LYS 4 20.755 12.147 9.584 27 HD3 LYS 4 HD2 LYS 4 22.266 11.978 10.478 28 HE2 LYS 4 HE3 LYS 4 23.423 13.335 8.759 29 HE3 LYS 4 HE2 LYS 4 21.897 13.524 7.894 30 HZ1 LYS 4 HZ1 LYS 4 21.270 15.119 9.279 31 HZ2 LYS 4 HZ2 LYS 4 22.844 15.116 9.918 32 HZ3 LYS 4 HZ3 LYS 4 21.625 14.183 10.647 33 H ALA 5 H ALA 5 20.657 7.171 6.930 34 HA ALA 5 HA ALA 5 19.961 7.343 4.756 35 HB1 ALA 5 HB1 ALA 5 19.892 9.851 5.478 36 HB2 ALA 5 HB2 ALA 5 19.855 9.455 3.761 37 HB3 ALA 5 HB3 ALA 5 21.357 9.996 4.509 38 H GLN 6 H GLN 6 23.239 7.741 5.708 39 HA GLN 6 HA GLN 6 24.390 7.624 3.155 40 HB2 GLN 6 HB3 GLN 6 25.393 7.021 5.926 41 HB3 GLN 6 HB2 GLN 6 26.389 6.759 4.523 42 HG2 GLN 6 HG3 GLN 6 25.078 9.405 5.179 43 HG3 GLN 6 HG2 GLN 6 26.747 9.009 5.613 44 HE21 GLN 6 HE21 GLN 6 25.139 10.758 3.374 45 HE22 GLN 6 HE22 GLN 6 26.137 10.524 2.021 46 H CYS 7 H CYS 7 23.485 5.349 5.629 47 HA CYS 7 HA CYS 7 24.417 3.025 4.250 48 HB2 CYS 7 HB3 CYS 7 23.748 3.454 6.809 49 HB3 CYS 7 HB2 CYS 7 22.218 2.776 6.259 50 H ALA 8 H ALA 8 21.169 4.399 4.744 51 HA ALA 8 HA ALA 8 19.831 2.475 3.186 52 HB1 ALA 8 HB1 ALA 8 18.091 4.352 2.978 53 HB2 ALA 8 HB2 ALA 8 19.201 5.307 3.965 54 HB3 ALA 8 HB3 ALA 8 18.509 3.817 4.606 55 H ALA 9 H ALA 9 21.161 5.616 2.323 56 HA ALA 9 HA ALA 9 20.298 5.598 -0.368 57 HB1 ALA 9 HB1 ALA 9 22.719 6.976 0.810 58 HB2 ALA 9 HB2 ALA 9 21.082 7.635 0.800 59 HB3 ALA 9 HB3 ALA 9 21.934 7.366 -0.719 60 H LEU 10 H LEU 10 23.045 4.211 1.300 61 HA LEU 10 HA LEU 10 24.662 3.701 -0.953 62 HB2 LEU 10 HB3 LEU 10 25.424 3.590 1.383 63 HB3 LEU 10 HB2 LEU 10 24.414 2.180 1.641 64 HG LEU 10 HG LEU 10 25.694 0.868 0.045 65 HD11 LEU 10 HD11 LEU 10 27.904 1.962 -0.783 66 HD12 LEU 10 HD12 LEU 10 27.097 3.498 -0.470 67 HD13 LEU 10 HD13 LEU 10 26.422 2.364 -1.642 68 HD21 LEU 10 HD21 LEU 10 26.559 0.827 2.277 69 HD22 LEU 10 HD22 LEU 10 27.292 2.416 2.104 70 HD23 LEU 10 HD23 LEU 10 27.956 1.043 1.231 71 H TRP 11 H TRP 11 22.063 1.750 0.584 72 HA TRP 11 HA TRP 11 22.398 -0.347 -1.400 73 HB2 TRP 11 HB3 TRP 11 21.326 -1.490 0.239 74 HB3 TRP 11 HB2 TRP 11 21.002 0.009 1.097 75 HD1 TRP 11 HD1 TRP 11 18.626 0.931 1.054 76 HE1 TRP 11 HE1 TRP 11 16.386 0.143 0.061 77 HE3 TRP 11 HE3 TRP 11 20.322 -2.751 -2.039 78 HZ2 TRP 11 HZ2 TRP 11 15.448 -1.786 -1.839 79 HZ3 TRP 11 HZ3 TRP 11 18.736 -4.042 -3.434 80 HH2 TRP 11 HH2 TRP 11 16.306 -3.562 -3.343 81 H LEU 12 H LEU 12 20.156 2.327 -0.831 82 HA LEU 12 HA LEU 12 18.339 1.734 -2.890 83 HB2 LEU 12 HB3 LEU 12 18.316 3.496 -0.918 84 HB3 LEU 12 HB2 LEU 12 18.949 4.579 -2.145 85 HG LEU 12 HG LEU 12 16.397 2.951 -2.394 86 HD11 LEU 12 HD11 LEU 12 16.874 5.896 -1.869 87 HD12 LEU 12 HD12 LEU 12 16.104 4.735 -0.787 88 HD13 LEU 12 HD13 LEU 12 15.306 5.205 -2.288 89 HD21 LEU 12 HD21 LEU 12 17.911 4.748 -4.278 90 HD22 LEU 12 HD22 LEU 12 16.150 4.715 -4.362 91 HD23 LEU 12 HD23 LEU 12 17.068 3.234 -4.607 92 H GLN 13 H GLN 13 21.268 3.735 -2.855 93 HA GLN 13 HA GLN 13 21.074 4.714 -5.477 94 HB2 GLN 13 HB3 GLN 13 23.393 4.179 -3.633 95 HB3 GLN 13 HB2 GLN 13 23.614 4.883 -5.226 96 HG2 GLN 13 HG3 GLN 13 21.615 6.052 -3.304 97 HG3 GLN 13 HG2 GLN 13 23.313 6.493 -3.208 98 HE21 GLN 13 HE21 GLN 13 22.259 5.712 -6.401 99 HE22 GLN 13 HE22 GLN 13 22.098 7.305 -6.970 100 H CYS 14 H CYS 14 22.446 1.726 -4.166 101 HA CYS 14 HA CYS 14 23.676 0.810 -6.508 102 HB2 CYS 14 HB3 CYS 14 23.578 -0.156 -4.014 103 HB3 CYS 14 HB2 CYS 14 22.342 -1.186 -4.727 104 H ALA 15 H ALA 15 20.465 1.406 -5.974 105 HA ALA 15 HA ALA 15 19.238 -0.678 -7.434 106 HB1 ALA 15 HB1 ALA 15 17.301 0.770 -7.465 107 HB2 ALA 15 HB2 ALA 15 18.305 2.166 -7.073 108 HB3 ALA 15 HB3 ALA 15 18.076 0.884 -5.883 109 H SER 16 H SER 16 20.592 2.435 -8.301 110 HA SER 16 HA SER 16 19.891 2.064 -11.115 111 HB2 SER 16 HB3 SER 16 19.588 4.292 -10.084 112 HB3 SER 16 HB2 SER 16 21.320 4.361 -9.767 113 HG SER 16 HG SER 16 21.684 4.714 -11.826 114 H GLY 17 H GLY 17 22.646 2.050 -8.979 115 HA2 GLY 17 HA3 GLY 17 24.468 0.494 -9.676 116 HA3 GLY 17 HA2 GLY 17 24.415 1.296 -11.244 117 H GLY 18 H GLY 18 24.195 2.734 -8.003 118 HA2 GLY 18 HA3 GLY 18 26.880 3.851 -8.223 119 HA3 GLY 18 HA2 GLY 18 25.557 5.008 -8.266 120 H THR 19 H THR 19 27.023 5.585 -6.299 121 HA THR 19 HA THR 19 25.600 4.729 -3.910 122 HB THR 19 HB THR 19 27.592 4.174 -2.651 123 HG1 THR 19 HG1 THR 19 29.407 4.048 -4.609 124 HG21 THR 19 HG21 THR 19 26.543 2.379 -4.112 125 HG22 THR 19 HG22 THR 19 28.246 2.105 -3.738 126 HG23 THR 19 HG23 THR 19 27.782 2.728 -5.319 127 H ILE 20 H ILE 20 27.535 5.913 -2.147 128 HA ILE 20 HA ILE 20 27.542 8.752 -2.985 129 HB ILE 20 HB ILE 20 27.051 9.009 -0.366 130 HG12 ILE 20 HG13 ILE 20 25.310 7.319 0.299 131 HG13 ILE 20 HG12 ILE 20 25.782 6.329 -1.056 132 HG21 ILE 20 HG21 ILE 20 24.572 9.069 -0.971 133 HG22 ILE 20 HG22 ILE 20 25.048 8.489 -2.568 134 HG23 ILE 20 HG23 ILE 20 25.638 10.044 -1.983 135 HD11 ILE 20 HD11 ILE 20 26.838 5.794 1.239 136 HD12 ILE 20 HD12 ILE 20 27.790 7.260 1.015 137 HD13 ILE 20 HD13 ILE 20 27.947 5.922 -0.125 138 H GLY 21 H GLY 21 29.431 6.192 -2.289 139 HA2 GLY 21 HA3 GLY 21 31.455 7.821 -0.835 140 HA3 GLY 21 HA2 GLY 21 31.263 6.088 -0.606 141 H CYS 22 H CYS 22 30.752 6.946 -3.837 142 HA CYS 22 HA CYS 22 31.901 6.223 -5.709 143 HB2 CYS 22 HB3 CYS 22 32.603 8.515 -5.557 144 HB3 CYS 22 HB2 CYS 22 33.820 8.114 -4.346 145 H GLY 23 H GLY 23 32.260 4.009 -5.428 146 HA2 GLY 23 HA3 GLY 23 34.562 2.807 -5.758 147 HA3 GLY 23 HA2 GLY 23 34.713 3.158 -4.042 148 H GLY 24 H GLY 24 33.475 1.043 -6.376 149 HA2 GLY 24 HA3 GLY 24 33.040 -1.236 -5.401 150 HA3 GLY 24 HA2 GLY 24 31.884 -0.431 -4.346 151 H GLY 25 H GLY 25 30.146 0.750 -5.463 152 HA2 GLY 25 HA3 GLY 25 28.255 0.776 -6.709 153 HA3 GLY 25 HA2 GLY 25 29.331 0.518 -8.077 154 H ALA 26 H ALA 26 30.110 -1.792 -8.233 155 HA ALA 26 HA ALA 26 27.796 -3.429 -8.578 156 HB1 ALA 26 HB1 ALA 26 29.379 -5.203 -9.234 157 HB2 ALA 26 HB2 ALA 26 30.720 -4.202 -8.674 158 HB3 ALA 26 HB3 ALA 26 29.742 -3.682 -10.049 159 H VAL 27 H VAL 27 30.567 -3.579 -6.434 160 HA VAL 27 HA VAL 27 29.491 -5.715 -4.872 161 HB VAL 27 HB VAL 27 31.356 -5.105 -3.276 162 HG11 VAL 27 HG11 VAL 27 31.824 -5.877 -6.148 163 HG12 VAL 27 HG12 VAL 27 31.749 -6.924 -4.729 164 HG13 VAL 27 HG13 VAL 27 33.138 -5.869 -4.973 165 HG21 VAL 27 HG21 VAL 27 32.871 -3.425 -3.719 166 HG22 VAL 27 HG22 VAL 27 31.450 -2.694 -4.443 167 HG23 VAL 27 HG23 VAL 27 32.629 -3.513 -5.461 168 H ALA 28 H ALA 28 28.983 -2.349 -5.022 169 HA ALA 28 HA ALA 28 28.475 -1.637 -2.368 170 HB1 ALA 28 HB1 ALA 28 27.090 0.102 -3.254 171 HB2 ALA 28 HB2 ALA 28 26.839 -0.787 -4.737 172 HB3 ALA 28 HB3 ALA 28 28.424 -0.123 -4.380 173 H CYS 29 H CYS 29 26.425 -3.442 -4.646 174 HA CYS 29 HA CYS 29 24.095 -3.330 -3.060 175 HB2 CYS 29 HB3 CYS 29 25.090 -5.373 -5.037 176 HB3 CYS 29 HB2 CYS 29 23.532 -5.497 -4.240 177 H GLN 30 H GLN 30 26.619 -5.828 -3.254 178 HA GLN 30 HA GLN 30 25.447 -7.398 -1.193 179 HB2 GLN 30 HB3 GLN 30 27.756 -8.556 -1.149 180 HB3 GLN 30 HB2 GLN 30 26.811 -8.664 -2.628 181 HG2 GLN 30 HG3 GLN 30 28.808 -8.023 -3.570 182 HG3 GLN 30 HG2 GLN 30 28.199 -6.435 -3.198 183 HE21 GLN 30 HE21 GLN 30 30.187 -9.043 -1.763 184 HE22 GLN 30 HE22 GLN 30 31.215 -8.005 -0.900 185 H ASN 31 H ASN 31 27.972 -4.944 -1.206 186 HA ASN 31 HA ASN 31 29.066 -5.284 1.296 187 HB2 ASN 31 HB3 ASN 31 28.454 -2.805 -0.333 188 HB3 ASN 31 HB2 ASN 31 29.229 -2.726 1.234 189 HD21 ASN 31 HD21 ASN 31 29.970 -3.313 -2.091 190 HD22 ASN 31 HD22 ASN 31 31.535 -3.941 -1.866 191 H TYR 32 H TYR 32 25.943 -4.022 0.421 192 HA TYR 32 HA TYR 32 25.225 -2.778 2.814 193 HB2 TYR 32 HB3 TYR 32 23.841 -2.494 0.893 194 HB3 TYR 32 HB2 TYR 32 23.578 -4.232 0.767 195 HD1 TYR 32 HD2 TYR 32 22.277 -5.438 2.444 196 HD2 TYR 32 HD1 TYR 32 22.566 -1.156 2.472 197 HE1 TYR 32 HE2 TYR 32 20.347 -5.335 3.953 198 HE2 TYR 32 HE1 TYR 32 20.614 -1.031 3.986 199 HH TYR 32 HH TYR 32 19.188 -3.945 5.391 200 H ARG 33 H ARG 33 24.736 -6.216 1.906 201 HA ARG 33 HA ARG 33 23.428 -6.873 4.333 202 HB2 ARG 33 HB3 ARG 33 23.920 -8.227 2.011 203 HB3 ARG 33 HB2 ARG 33 25.095 -9.010 3.080 204 HG2 ARG 33 HG3 ARG 33 23.196 -10.324 3.413 205 HG3 ARG 33 HG2 ARG 33 23.089 -9.179 4.751 206 HD2 ARG 33 HD3 ARG 33 20.892 -9.162 3.849 207 HD3 ARG 33 HD2 ARG 33 21.622 -7.741 3.110 208 HE ARG 33 HE ARG 33 21.059 -10.318 1.785 209 HH11 ARG 33 HH21 ARG 33 22.258 -7.053 1.616 210 HH12 ARG 33 HH22 ARG 33 22.153 -6.975 -0.109 211 HH21 ARG 33 HH11 ARG 33 20.951 -10.201 -0.461 212 HH22 ARG 33 HH12 ARG 33 21.419 -8.748 -1.280 213 H GLN 34 H GLN 34 26.775 -6.855 3.312 214 HA GLN 34 HA GLN 34 27.930 -8.105 5.568 215 HB2 GLN 34 HB3 GLN 34 29.119 -5.964 3.821 216 HB3 GLN 34 HB2 GLN 34 29.993 -7.185 4.736 217 HG2 GLN 34 HG3 GLN 34 28.966 -8.961 3.388 218 HG3 GLN 34 HG2 GLN 34 28.053 -7.759 2.483 219 HE21 GLN 34 HE21 GLN 34 28.990 -7.357 0.503 220 HE22 GLN 34 HE22 GLN 34 30.664 -7.342 0.196 221 H PHE 35 H PHE 35 27.349 -4.657 4.833 222 HA PHE 35 HA PHE 35 28.371 -3.878 7.458 223 HB2 PHE 35 HB3 PHE 35 27.328 -2.336 5.087 224 HB3 PHE 35 HB2 PHE 35 27.663 -1.543 6.622 225 HD1 PHE 35 HD2 PHE 35 30.130 -2.466 7.666 226 HD2 PHE 35 HD1 PHE 35 29.052 -2.109 3.498 227 HE1 PHE 35 HE2 PHE 35 32.514 -2.371 7.040 228 HE2 PHE 35 HE1 PHE 35 31.446 -2.025 2.901 229 HZ PHE 35 HZ PHE 35 33.177 -2.155 4.665 230 H CYS 36 H CYS 36 25.317 -3.552 5.632 231 HA CYS 36 HA CYS 36 23.918 -3.150 8.188 232 HB2 CYS 36 HB3 CYS 36 23.482 -2.237 5.382 233 HB3 CYS 36 HB2 CYS 36 22.053 -2.519 6.365 234 H ARG 37 H ARG 37 23.327 -5.076 8.971 235 HA ARG 37 HA ARG 37 22.641 -7.304 7.282 236 HB2 ARG 37 HB3 ARG 37 23.687 -7.587 9.518 237 HB3 ARG 37 HB2 ARG 37 22.220 -6.948 10.261 238 HG2 ARG 37 HG3 ARG 37 20.907 -8.786 9.263 239 HG3 ARG 37 HG2 ARG 37 22.372 -9.425 8.516 240 HD2 ARG 37 HD3 ARG 37 23.369 -9.629 10.814 241 HD3 ARG 37 HD2 ARG 37 21.804 -9.167 11.481 242 HE ARG 37 HE ARG 37 21.639 -11.395 9.656 243 HH11 ARG 37 HH21 ARG 37 22.306 -10.373 12.895 244 HH12 ARG 37 HH22 ARG 37 21.901 -11.900 13.606 245 HH21 ARG 37 HH11 ARG 37 21.109 -13.399 10.582 246 HH22 ARG 37 HH12 ARG 37 21.224 -13.612 12.296 247 H2 BGC 101 H2 GLC 0 36.284 6.962 -8.067 248 H3 BGC 101 H3 GLC 0 37.033 4.825 -5.985 249 H4 BGC 101 H4 GLC 0 38.540 7.401 -6.698 250 H5 BGC 101 H5 GLC 0 36.938 6.741 -4.135 251 H6C1 BGC 101 H61 GLC 0 37.954 8.483 -3.143 252 H6C2 BGC 101 H62 GLC 0 39.085 8.575 -4.511 253 H1 BGC 101 H1 GLC 0 34.899 6.299 -5.372 254 HB BGC 101 HO2 GLC 0 34.375 5.652 -8.063 255 HC BGC 101 HO3 GLC 0 38.735 4.494 -7.276 256 HD BGC 101 HO4 GLC 0 40.056 6.395 -5.667 257 H6 BGC 101 HO6 GLC 0 37.294 10.325 -3.771 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 28.022 2.950 4.064 2 H2 GLY 1 H2 GLY 1 27.693 2.413 5.641 3 H3 GLY 1 H3 GLY 1 29.264 2.902 5.219 4 HA2 GLY 1 HA3 GLY 1 28.735 5.132 5.196 5 HA3 GLY 1 HA2 GLY 1 27.016 4.793 4.988 6 H LEU 2 H LEU 2 26.546 2.917 6.923 7 HA LEU 2 HA LEU 2 25.988 2.724 9.143 8 HB2 LEU 2 HB3 LEU 2 28.619 4.157 9.614 9 HB3 LEU 2 HB2 LEU 2 27.769 3.115 10.753 10 HG LEU 2 HG LEU 2 28.837 2.199 8.065 11 HD11 LEU 2 HD11 LEU 2 30.699 2.804 9.500 12 HD12 LEU 2 HD12 LEU 2 30.573 1.045 9.475 13 HD13 LEU 2 HD13 LEU 2 29.977 1.952 10.865 14 HD21 LEU 2 HD21 LEU 2 27.482 0.825 10.394 15 HD22 LEU 2 HD22 LEU 2 28.575 -0.074 9.343 16 HD23 LEU 2 HD23 LEU 2 27.134 0.679 8.670 17 H GLY 3 H GLY 3 26.115 5.581 7.570 18 HA2 GLY 3 HA3 GLY 3 25.375 7.259 9.877 19 HA3 GLY 3 HA2 GLY 3 25.769 7.838 8.265 20 H LYS 4 H LYS 4 23.513 8.718 9.556 21 HA LYS 4 HA LYS 4 21.178 7.215 8.968 22 HB2 LYS 4 HB3 LYS 4 19.970 9.257 9.502 23 HB3 LYS 4 HB2 LYS 4 21.379 9.234 10.565 24 HG2 LYS 4 HG3 LYS 4 22.571 10.708 8.865 25 HG3 LYS 4 HG2 LYS 4 21.052 10.842 8.006 26 HD2 LYS 4 HD3 LYS 4 19.953 11.805 9.975 27 HD3 LYS 4 HD2 LYS 4 21.452 11.677 10.896 28 HE2 LYS 4 HE3 LYS 4 21.166 13.252 8.324 29 HE3 LYS 4 HE2 LYS 4 21.073 13.961 9.936 30 HZ1 LYS 4 HZ1 LYS 4 23.392 12.451 8.853 31 HZ2 LYS 4 HZ2 LYS 4 23.299 13.166 10.392 32 HZ3 LYS 4 HZ3 LYS 4 23.300 14.137 8.998 33 H ALA 5 H ALA 5 20.165 6.951 7.098 34 HA ALA 5 HA ALA 5 19.522 7.167 4.916 35 HB1 ALA 5 HB1 ALA 5 20.725 9.920 4.821 36 HB2 ALA 5 HB2 ALA 5 19.262 9.623 5.756 37 HB3 ALA 5 HB3 ALA 5 19.275 9.310 4.021 38 H GLN 6 H GLN 6 22.748 7.728 5.966 39 HA GLN 6 HA GLN 6 23.970 7.800 3.438 40 HB2 GLN 6 HB3 GLN 6 24.927 7.132 6.212 41 HB3 GLN 6 HB2 GLN 6 25.977 6.969 4.836 42 HG2 GLN 6 HG3 GLN 6 24.540 9.531 5.560 43 HG3 GLN 6 HG2 GLN 6 26.211 9.179 6.022 44 HE21 GLN 6 HE21 GLN 6 24.570 10.938 3.797 45 HE22 GLN 6 HE22 GLN 6 25.622 10.809 2.471 46 H CYS 7 H CYS 7 23.130 5.414 5.815 47 HA CYS 7 HA CYS 7 24.212 3.155 4.462 48 HB2 CYS 7 HB3 CYS 7 23.378 3.535 6.980 49 HB3 CYS 7 HB2 CYS 7 21.910 2.800 6.337 50 H ALA 8 H ALA 8 20.877 4.378 4.767 51 HA ALA 8 HA ALA 8 19.728 2.395 3.131 52 HB1 ALA 8 HB1 ALA 8 18.254 3.662 4.473 53 HB2 ALA 8 HB2 ALA 8 17.910 4.189 2.825 54 HB3 ALA 8 HB3 ALA 8 18.911 5.188 3.882 55 H ALA 9 H ALA 9 20.973 5.594 2.362 56 HA ALA 9 HA ALA 9 20.258 5.578 -0.373 57 HB1 ALA 9 HB1 ALA 9 20.933 7.613 0.921 58 HB2 ALA 9 HB2 ALA 9 21.777 7.436 -0.617 59 HB3 ALA 9 HB3 ALA 9 22.595 7.024 0.890 60 H LEU 10 H LEU 10 22.992 4.319 1.416 61 HA LEU 10 HA LEU 10 24.717 3.869 -0.764 62 HB2 LEU 10 HB3 LEU 10 25.340 3.819 1.632 63 HB3 LEU 10 HB2 LEU 10 24.397 2.354 1.831 64 HG LEU 10 HG LEU 10 25.858 1.097 0.368 65 HD11 LEU 10 HD11 LEU 10 26.576 2.591 -1.325 66 HD12 LEU 10 HD12 LEU 10 28.033 2.317 -0.379 67 HD13 LEU 10 HD13 LEU 10 27.109 3.803 -0.155 68 HD21 LEU 10 HD21 LEU 10 28.021 1.423 1.668 69 HD22 LEU 10 HD22 LEU 10 26.584 1.223 2.666 70 HD23 LEU 10 HD23 LEU 10 27.273 2.824 2.423 71 H TRP 11 H TRP 11 22.129 1.836 0.678 72 HA TRP 11 HA TRP 11 22.616 -0.266 -1.271 73 HB2 TRP 11 HB3 TRP 11 21.544 -1.452 0.329 74 HB3 TRP 11 HB2 TRP 11 21.150 0.030 1.184 75 HD1 TRP 11 HD1 TRP 11 18.738 0.923 1.028 76 HE1 TRP 11 HE1 TRP 11 16.539 -0.017 0.070 77 HE3 TRP 11 HE3 TRP 11 20.607 -2.858 -1.827 78 HZ2 TRP 11 HZ2 TRP 11 15.694 -2.100 -1.714 79 HZ3 TRP 11 HZ3 TRP 11 19.090 -4.306 -3.150 80 HH2 TRP 11 HH2 TRP 11 16.639 -3.929 -3.101 81 H LEU 12 H LEU 12 20.204 2.290 -0.792 82 HA LEU 12 HA LEU 12 18.519 1.609 -2.936 83 HB2 LEU 12 HB3 LEU 12 18.248 3.315 -0.968 84 HB3 LEU 12 HB2 LEU 12 18.969 4.460 -2.087 85 HG LEU 12 HG LEU 12 17.132 3.461 -3.765 86 HD11 LEU 12 HD11 LEU 12 15.648 3.264 -1.138 87 HD12 LEU 12 HD12 LEU 12 16.390 1.850 -1.877 88 HD13 LEU 12 HD13 LEU 12 15.127 2.728 -2.735 89 HD21 LEU 12 HD21 LEU 12 15.592 5.293 -3.035 90 HD22 LEU 12 HD22 LEU 12 17.270 5.822 -3.153 91 HD23 LEU 12 HD23 LEU 12 16.561 5.485 -1.574 92 H GLN 13 H GLN 13 21.270 3.849 -2.791 93 HA GLN 13 HA GLN 13 21.041 4.771 -5.447 94 HB2 GLN 13 HB3 GLN 13 23.420 4.629 -3.583 95 HB3 GLN 13 HB2 GLN 13 23.395 5.493 -5.109 96 HG2 GLN 13 HG3 GLN 13 21.278 6.027 -3.050 97 HG3 GLN 13 HG2 GLN 13 22.844 6.822 -2.942 98 HE21 GLN 13 HE21 GLN 13 22.003 6.110 -6.167 99 HE22 GLN 13 HE22 GLN 13 21.431 7.651 -6.610 100 H CYS 14 H CYS 14 22.501 1.961 -3.999 101 HA CYS 14 HA CYS 14 24.135 1.150 -6.122 102 HB2 CYS 14 HB3 CYS 14 23.617 0.124 -3.664 103 HB3 CYS 14 HB2 CYS 14 22.660 -0.981 -4.644 104 H ALA 15 H ALA 15 20.747 1.207 -5.777 105 HA ALA 15 HA ALA 15 20.083 -0.727 -7.744 106 HB1 ALA 15 HB1 ALA 15 17.880 -0.007 -7.425 107 HB2 ALA 15 HB2 ALA 15 18.378 1.648 -7.065 108 HB3 ALA 15 HB3 ALA 15 18.643 0.373 -5.879 109 H SER 16 H SER 16 20.718 2.704 -7.753 110 HA SER 16 HA SER 16 19.939 3.207 -10.428 111 HB2 SER 16 HB3 SER 16 21.076 5.337 -10.169 112 HB3 SER 16 HB2 SER 16 20.186 4.970 -8.693 113 HG SER 16 HG SER 16 22.871 5.227 -9.119 114 H GLY 17 H GLY 17 22.895 2.133 -8.932 115 HA2 GLY 17 HA3 GLY 17 24.270 0.655 -10.434 116 HA3 GLY 17 HA2 GLY 17 24.204 1.972 -11.602 117 H GLY 18 H GLY 18 24.388 3.059 -8.379 118 HA2 GLY 18 HA3 GLY 18 27.173 2.889 -7.896 119 HA3 GLY 18 HA2 GLY 18 26.818 4.413 -8.710 120 H THR 19 H THR 19 27.845 4.453 -6.144 121 HA THR 19 HA THR 19 25.657 5.709 -4.673 122 HB THR 19 HB THR 19 25.868 4.426 -2.717 123 HG1 THR 19 HG1 THR 19 28.055 2.942 -3.549 124 HG21 THR 19 HG21 THR 19 26.445 2.435 -4.947 125 HG22 THR 19 HG22 THR 19 24.849 3.095 -4.592 126 HG23 THR 19 HG23 THR 19 25.666 2.077 -3.413 127 H ILE 20 H ILE 20 26.636 6.637 -2.534 128 HA ILE 20 HA ILE 20 28.742 8.428 -3.292 129 HB ILE 20 HB ILE 20 27.538 7.918 -0.554 130 HG12 ILE 20 HG13 ILE 20 26.760 10.049 -2.558 131 HG13 ILE 20 HG12 ILE 20 25.901 8.517 -2.420 132 HG21 ILE 20 HG21 ILE 20 29.543 9.190 -0.322 133 HG22 ILE 20 HG22 ILE 20 28.230 10.367 -0.287 134 HG23 ILE 20 HG23 ILE 20 29.184 10.153 -1.755 135 HD11 ILE 20 HD11 ILE 20 24.768 10.208 -1.061 136 HD12 ILE 20 HD12 ILE 20 26.271 10.563 -0.209 137 HD13 ILE 20 HD13 ILE 20 25.493 8.991 -0.009 138 H GLY 21 H GLY 21 28.529 5.392 -1.630 139 HA2 GLY 21 HA3 GLY 21 30.810 5.383 -0.052 140 HA3 GLY 21 HA2 GLY 21 30.154 3.958 -0.849 141 H CYS 22 H CYS 22 30.559 5.609 -3.437 142 HA CYS 22 HA CYS 22 32.077 5.425 -5.171 143 HB2 CYS 22 HB3 CYS 22 32.875 7.472 -4.229 144 HB3 CYS 22 HB2 CYS 22 33.705 6.620 -2.928 145 H GLY 23 H GLY 23 32.247 3.226 -5.538 146 HA2 GLY 23 HA3 GLY 23 34.780 2.017 -4.763 147 HA3 GLY 23 HA2 GLY 23 33.336 1.184 -4.199 148 H GLY 24 H GLY 24 32.255 -0.112 -5.561 149 HA2 GLY 24 HA3 GLY 24 33.056 -0.141 -8.426 150 HA3 GLY 24 HA2 GLY 24 32.842 -1.615 -7.490 151 H GLY 25 H GLY 25 30.680 0.839 -6.668 152 HA2 GLY 25 HA3 GLY 25 28.419 1.102 -6.778 153 HA3 GLY 25 HA2 GLY 25 28.644 0.849 -8.504 154 H ALA 26 H ALA 26 29.084 -1.546 -8.972 155 HA ALA 26 HA ALA 26 26.716 -2.960 -8.450 156 HB1 ALA 26 HB1 ALA 26 29.339 -4.216 -9.259 157 HB2 ALA 26 HB2 ALA 26 28.306 -3.342 -10.390 158 HB3 ALA 26 HB3 ALA 26 27.714 -4.805 -9.603 159 H VAL 27 H VAL 27 29.957 -3.171 -7.161 160 HA VAL 27 HA VAL 27 29.460 -5.299 -5.312 161 HB VAL 27 HB VAL 27 31.707 -4.664 -6.222 162 HG11 VAL 27 HG11 VAL 27 32.857 -2.741 -5.400 163 HG12 VAL 27 HG12 VAL 27 31.613 -2.427 -4.192 164 HG13 VAL 27 HG13 VAL 27 31.263 -2.177 -5.899 165 HG21 VAL 27 HG21 VAL 27 31.436 -4.637 -3.199 166 HG22 VAL 27 HG22 VAL 27 32.918 -4.986 -4.080 167 HG23 VAL 27 HG23 VAL 27 31.540 -6.077 -4.209 168 H ALA 28 H ALA 28 28.902 -1.864 -5.192 169 HA ALA 28 HA ALA 28 29.013 -1.456 -2.411 170 HB1 ALA 28 HB1 ALA 28 26.888 0.125 -3.497 171 HB2 ALA 28 HB2 ALA 28 28.151 0.002 -4.715 172 HB3 ALA 28 HB3 ALA 28 28.534 0.633 -3.123 173 H CYS 29 H CYS 29 26.574 -2.978 -4.427 174 HA CYS 29 HA CYS 29 24.396 -2.832 -2.674 175 HB2 CYS 29 HB3 CYS 29 25.134 -5.061 -4.563 176 HB3 CYS 29 HB2 CYS 29 23.565 -4.806 -3.832 177 H GLN 30 H GLN 30 26.845 -5.388 -3.051 178 HA GLN 30 HA GLN 30 25.721 -6.970 -0.944 179 HB2 GLN 30 HB3 GLN 30 27.999 -8.176 -1.007 180 HB3 GLN 30 HB2 GLN 30 27.001 -8.247 -2.453 181 HG2 GLN 30 HG3 GLN 30 29.051 -7.705 -3.384 182 HG3 GLN 30 HG2 GLN 30 28.388 -6.108 -3.146 183 HE21 GLN 30 HE21 GLN 30 30.521 -8.525 -1.585 184 HE22 GLN 30 HE22 GLN 30 31.465 -7.388 -0.753 185 H ASN 31 H ASN 31 28.185 -4.494 -1.029 186 HA ASN 31 HA ASN 31 29.417 -4.842 1.414 187 HB2 ASN 31 HB3 ASN 31 28.575 -2.350 -0.095 188 HB3 ASN 31 HB2 ASN 31 29.455 -2.286 1.416 189 HD21 ASN 31 HD21 ASN 31 29.887 -2.957 -1.999 190 HD22 ASN 31 HD22 ASN 31 31.530 -3.390 -1.904 191 H TYR 32 H TYR 32 26.235 -3.610 0.662 192 HA TYR 32 HA TYR 32 25.517 -2.592 3.176 193 HB2 TYR 32 HB3 TYR 32 24.159 -2.140 1.215 194 HB3 TYR 32 HB2 TYR 32 23.800 -3.858 1.050 195 HD1 TYR 32 HD1 TYR 32 22.551 -5.035 2.825 196 HD2 TYR 32 HD2 TYR 32 22.900 -0.773 2.759 197 HE1 TYR 32 HE1 TYR 32 20.695 -4.902 4.378 198 HE2 TYR 32 HE2 TYR 32 20.996 -0.612 4.341 199 HH TYR 32 HH TYR 32 18.917 -3.163 4.982 200 H ARG 33 H ARG 33 25.132 -5.899 1.872 201 HA ARG 33 HA ARG 33 23.746 -6.939 4.085 202 HB2 ARG 33 HB3 ARG 33 25.622 -8.204 2.085 203 HB3 ARG 33 HB2 ARG 33 24.814 -9.137 3.359 204 HG2 ARG 33 HG3 ARG 33 22.631 -8.612 2.454 205 HG3 ARG 33 HG2 ARG 33 23.290 -7.387 1.377 206 HD2 ARG 33 HD3 ARG 33 22.701 -9.503 0.158 207 HD3 ARG 33 HD2 ARG 33 24.415 -9.105 0.005 208 HE ARG 33 HE ARG 33 23.244 -11.284 1.614 209 HH11 ARG 33 HH21 ARG 33 26.029 -9.452 0.648 210 HH12 ARG 33 HH22 ARG 33 27.154 -10.700 1.064 211 HH21 ARG 33 HH11 ARG 33 24.721 -12.909 2.157 212 HH22 ARG 33 HH12 ARG 33 26.416 -12.652 1.916 213 H GLN 34 H GLN 34 27.146 -6.540 3.371 214 HA GLN 34 HA GLN 34 28.180 -7.933 5.621 215 HB2 GLN 34 HB3 GLN 34 29.434 -5.735 3.998 216 HB3 GLN 34 HB2 GLN 34 30.276 -6.978 4.917 217 HG2 GLN 34 HG3 GLN 34 29.315 -8.718 3.475 218 HG3 GLN 34 HG2 GLN 34 28.444 -7.491 2.562 219 HE21 GLN 34 HE21 GLN 34 29.488 -6.798 0.718 220 HE22 GLN 34 HE22 GLN 34 31.168 -6.865 0.459 221 H PHE 35 H PHE 35 27.632 -4.467 4.959 222 HA PHE 35 HA PHE 35 28.576 -3.740 7.621 223 HB2 PHE 35 HB3 PHE 35 27.534 -2.176 5.267 224 HB3 PHE 35 HB2 PHE 35 27.791 -1.403 6.825 225 HD1 PHE 35 HD1 PHE 35 30.261 -2.276 7.922 226 HD2 PHE 35 HD2 PHE 35 29.297 -1.802 3.740 227 HE1 PHE 35 HE1 PHE 35 32.651 -2.018 7.382 228 HE2 PHE 35 HE2 PHE 35 31.697 -1.557 3.228 229 HZ PHE 35 HZ PHE 35 33.374 -1.661 5.043 230 H CYS 36 H CYS 36 25.534 -3.488 5.770 231 HA CYS 36 HA CYS 36 24.101 -3.177 8.326 232 HB2 CYS 36 HB3 CYS 36 23.627 -2.233 5.526 233 HB3 CYS 36 HB2 CYS 36 22.235 -2.506 6.568 234 H ARG 37 H ARG 37 23.578 -5.162 9.024 235 HA ARG 37 HA ARG 37 22.908 -7.315 7.224 236 HB2 ARG 37 HB3 ARG 37 22.824 -7.042 10.233 237 HB3 ARG 37 HB2 ARG 37 22.350 -8.514 9.383 238 HG2 ARG 37 HG3 ARG 37 24.575 -8.659 8.352 239 HG3 ARG 37 HG2 ARG 37 25.057 -7.165 9.156 240 HD2 ARG 37 HD3 ARG 37 24.707 -8.223 11.351 241 HD3 ARG 37 HD2 ARG 37 24.202 -9.712 10.560 242 HE ARG 37 HE ARG 37 26.808 -8.863 9.702 243 HH11 ARG 37 HH21 ARG 37 25.006 -10.429 12.204 244 HH12 ARG 37 HH22 ARG 37 26.335 -11.401 12.745 245 HH21 ARG 37 HH11 ARG 37 28.557 -10.134 10.402 246 HH22 ARG 37 HH12 ARG 37 28.346 -11.234 11.723 247 H2 BGC 101 H2 GLC 0 37.011 6.198 -6.111 248 H3 BGC 101 H3 GLC 0 37.074 3.514 -4.611 249 H4 BGC 101 H4 GLC 0 38.841 5.984 -4.171 250 H5 BGC 101 H5 GLC 0 36.584 4.871 -2.370 251 H6C1 BGC 101 H61 GLC 0 37.384 6.155 -0.707 252 H6C2 BGC 101 H62 GLC 0 38.841 6.465 -1.676 253 H1 BGC 101 H1 GLC 0 34.929 5.022 -4.136 254 HB BGC 101 HO2 GLC 0 35.108 5.175 -6.944 255 HC BGC 101 HO3 GLC 0 39.040 3.330 -5.491 256 HD BGC 101 HO4 GLC 0 39.977 4.565 -3.136 257 H6 BGC 101 HO6 GLC 0 37.006 8.163 -0.922 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 28.910 3.096 4.748 2 H2 GLY 1 H2 GLY 1 27.245 3.413 4.875 3 H3 GLY 1 H3 GLY 1 28.046 2.550 6.101 4 HA2 GLY 1 HA3 GLY 1 29.500 4.759 6.129 5 HA3 GLY 1 HA2 GLY 1 27.951 5.412 5.592 6 H LEU 2 H LEU 2 26.720 2.984 7.050 7 HA LEU 2 HA LEU 2 25.672 2.618 9.060 8 HB2 LEU 2 HB3 LEU 2 28.172 3.873 10.235 9 HB3 LEU 2 HB2 LEU 2 27.055 2.793 11.062 10 HG LEU 2 HG LEU 2 28.657 2.037 8.601 11 HD11 LEU 2 HD11 LEU 2 30.226 2.364 10.375 12 HD12 LEU 2 HD12 LEU 2 29.935 0.626 10.300 13 HD13 LEU 2 HD13 LEU 2 29.161 1.597 11.553 14 HD21 LEU 2 HD21 LEU 2 26.807 0.572 8.683 15 HD22 LEU 2 HD22 LEU 2 26.778 0.553 10.448 16 HD23 LEU 2 HD23 LEU 2 28.040 -0.314 9.575 17 H GLY 3 H GLY 3 26.199 5.574 7.812 18 HA2 GLY 3 HA3 GLY 3 25.210 7.191 10.022 19 HA3 GLY 3 HA2 GLY 3 25.614 7.756 8.406 20 H LYS 4 H LYS 4 23.303 8.611 9.643 21 HA LYS 4 HA LYS 4 21.023 7.033 9.027 22 HB2 LYS 4 HB3 LYS 4 19.775 9.049 9.501 23 HB3 LYS 4 HB2 LYS 4 21.171 9.091 10.576 24 HG2 LYS 4 HG3 LYS 4 22.342 10.496 8.725 25 HG3 LYS 4 HG2 LYS 4 20.754 10.652 8.006 26 HD2 LYS 4 HD3 LYS 4 20.840 12.568 9.339 27 HD3 LYS 4 HD2 LYS 4 20.013 11.434 10.405 28 HE2 LYS 4 HE3 LYS 4 22.114 10.925 11.544 29 HE3 LYS 4 HE2 LYS 4 23.000 11.951 10.420 30 HZ1 LYS 4 HZ1 LYS 4 22.370 12.953 12.643 31 HZ2 LYS 4 HZ2 LYS 4 20.772 12.989 12.066 32 HZ3 LYS 4 HZ3 LYS 4 21.987 13.863 11.264 33 H ALA 5 H ALA 5 20.056 6.732 7.125 34 HA ALA 5 HA ALA 5 19.437 6.975 4.949 35 HB1 ALA 5 HB1 ALA 5 20.705 9.691 4.814 36 HB2 ALA 5 HB2 ALA 5 19.256 9.453 5.785 37 HB3 ALA 5 HB3 ALA 5 19.222 9.113 4.056 38 H GLN 6 H GLN 6 22.656 7.494 6.046 39 HA GLN 6 HA GLN 6 23.921 7.528 3.543 40 HB2 GLN 6 HB3 GLN 6 24.823 6.877 6.342 41 HB3 GLN 6 HB2 GLN 6 25.894 6.691 4.985 42 HG2 GLN 6 HG3 GLN 6 24.461 9.271 5.647 43 HG3 GLN 6 HG2 GLN 6 26.119 8.917 6.155 44 HE21 GLN 6 HE21 GLN 6 24.633 10.731 3.926 45 HE22 GLN 6 HE22 GLN 6 25.677 10.541 2.602 46 H CYS 7 H CYS 7 23.014 5.147 5.908 47 HA CYS 7 HA CYS 7 24.111 2.905 4.541 48 HB2 CYS 7 HB3 CYS 7 23.302 3.220 7.055 49 HB3 CYS 7 HB2 CYS 7 21.804 2.552 6.410 50 H ALA 8 H ALA 8 20.786 4.131 4.846 51 HA ALA 8 HA ALA 8 19.631 2.190 3.161 52 HB1 ALA 8 HB1 ALA 8 17.830 4.014 2.887 53 HB2 ALA 8 HB2 ALA 8 18.832 4.966 3.985 54 HB3 ALA 8 HB3 ALA 8 18.155 3.430 4.520 55 H ALA 9 H ALA 9 20.920 5.384 2.475 56 HA ALA 9 HA ALA 9 20.217 5.433 -0.265 57 HB1 ALA 9 HB1 ALA 9 21.841 7.253 -0.454 58 HB2 ALA 9 HB2 ALA 9 22.503 6.846 1.129 59 HB3 ALA 9 HB3 ALA 9 20.855 7.460 0.993 60 H LEU 10 H LEU 10 22.918 4.117 1.521 61 HA LEU 10 HA LEU 10 24.667 3.710 -0.649 62 HB2 LEU 10 HB3 LEU 10 25.327 3.627 1.707 63 HB3 LEU 10 HB2 LEU 10 24.336 2.199 1.942 64 HG LEU 10 HG LEU 10 25.720 0.877 0.456 65 HD11 LEU 10 HD11 LEU 10 27.914 1.974 -0.356 66 HD12 LEU 10 HD12 LEU 10 27.101 3.514 -0.093 67 HD13 LEU 10 HD13 LEU 10 26.448 2.355 -1.252 68 HD21 LEU 10 HD21 LEU 10 27.943 1.158 1.711 69 HD22 LEU 10 HD22 LEU 10 26.513 0.919 2.712 70 HD23 LEU 10 HD23 LEU 10 27.198 2.529 2.523 71 H TRP 11 H TRP 11 22.057 1.667 0.716 72 HA TRP 11 HA TRP 11 22.599 -0.438 -1.212 73 HB2 TRP 11 HB3 TRP 11 21.462 -1.591 0.376 74 HB3 TRP 11 HB2 TRP 11 20.991 -0.092 1.165 75 HD1 TRP 11 HD1 TRP 11 18.570 0.653 0.955 76 HE1 TRP 11 HE1 TRP 11 16.463 -0.286 -0.189 77 HE3 TRP 11 HE3 TRP 11 20.724 -2.893 -2.019 78 HZ2 TRP 11 HZ2 TRP 11 15.793 -2.262 -2.151 79 HZ3 TRP 11 HZ3 TRP 11 19.327 -4.279 -3.525 80 HH2 TRP 11 HH2 TRP 11 16.869 -3.965 -3.599 81 H LEU 12 H LEU 12 20.209 2.153 -0.827 82 HA LEU 12 HA LEU 12 18.617 1.481 -3.038 83 HB2 LEU 12 HB3 LEU 12 18.358 3.236 -1.046 84 HB3 LEU 12 HB2 LEU 12 18.966 4.351 -2.252 85 HG LEU 12 HG LEU 12 16.559 4.396 -2.369 86 HD11 LEU 12 HD11 LEU 12 16.244 4.036 -4.661 87 HD12 LEU 12 HD12 LEU 12 17.288 2.619 -4.689 88 HD13 LEU 12 HD13 LEU 12 17.990 4.231 -4.530 89 HD21 LEU 12 HD21 LEU 12 15.156 2.583 -2.233 90 HD22 LEU 12 HD22 LEU 12 16.532 1.856 -1.414 91 HD23 LEU 12 HD23 LEU 12 16.241 1.517 -3.121 92 H GLN 13 H GLN 13 21.428 3.623 -2.736 93 HA GLN 13 HA GLN 13 21.391 4.651 -5.344 94 HB2 GLN 13 HB3 GLN 13 23.593 4.171 -3.341 95 HB3 GLN 13 HB2 GLN 13 23.899 4.907 -4.902 96 HG2 GLN 13 HG3 GLN 13 21.711 5.973 -3.131 97 HG3 GLN 13 HG2 GLN 13 23.379 6.468 -2.881 98 HE21 GLN 13 HE21 GLN 13 22.606 5.706 -6.159 99 HE22 GLN 13 HE22 GLN 13 22.443 7.301 -6.719 100 H CYS 14 H CYS 14 22.804 1.703 -3.992 101 HA CYS 14 HA CYS 14 24.239 0.889 -6.254 102 HB2 CYS 14 HB3 CYS 14 23.988 -0.115 -3.774 103 HB3 CYS 14 HB2 CYS 14 22.890 -1.206 -4.609 104 H ALA 15 H ALA 15 20.961 1.299 -5.921 105 HA ALA 15 HA ALA 15 19.987 -0.801 -7.550 106 HB1 ALA 15 HB1 ALA 15 18.648 0.636 -5.978 107 HB2 ALA 15 HB2 ALA 15 17.943 0.454 -7.588 108 HB3 ALA 15 HB3 ALA 15 18.794 1.938 -7.158 109 H SER 16 H SER 16 21.160 2.443 -8.147 110 HA SER 16 HA SER 16 20.883 2.038 -11.058 111 HB2 SER 16 HB3 SER 16 19.793 4.059 -10.139 112 HB3 SER 16 HB2 SER 16 21.354 4.601 -9.527 113 HG SER 16 HG SER 16 20.439 4.343 -12.175 114 H GLY 17 H GLY 17 23.144 2.788 -8.498 115 HA2 GLY 17 HA3 GLY 17 25.430 1.998 -8.641 116 HA3 GLY 17 HA2 GLY 17 25.398 2.341 -10.371 117 H GLY 18 H GLY 18 24.209 4.347 -7.701 118 HA2 GLY 18 HA3 GLY 18 26.281 6.368 -8.340 119 HA3 GLY 18 HA2 GLY 18 24.597 6.805 -8.147 120 H THR 19 H THR 19 26.851 4.766 -6.314 121 HA THR 19 HA THR 19 25.793 5.726 -3.803 122 HB THR 19 HB THR 19 27.075 4.035 -2.782 123 HG1 THR 19 HG1 THR 19 28.701 3.588 -5.004 124 HG21 THR 19 HG21 THR 19 26.696 3.031 -5.631 125 HG22 THR 19 HG22 THR 19 25.395 3.136 -4.444 126 HG23 THR 19 HG23 THR 19 26.755 2.043 -4.172 127 H ILE 20 H ILE 20 27.437 6.345 -2.085 128 HA ILE 20 HA ILE 20 28.829 8.700 -2.950 129 HB ILE 20 HB ILE 20 28.897 7.286 -0.268 130 HG12 ILE 20 HG13 ILE 20 27.133 9.594 -1.116 131 HG13 ILE 20 HG12 ILE 20 26.590 7.919 -1.157 132 HG21 ILE 20 HG21 ILE 20 29.634 10.064 -1.212 133 HG22 ILE 20 HG22 ILE 20 30.663 8.893 -0.386 134 HG23 ILE 20 HG23 ILE 20 29.350 9.684 0.487 135 HD11 ILE 20 HD11 ILE 20 25.900 8.899 0.959 136 HD12 ILE 20 HD12 ILE 20 27.545 9.447 1.283 137 HD13 ILE 20 HD13 ILE 20 27.175 7.722 1.271 138 H GLY 21 H GLY 21 29.634 5.380 -2.408 139 HA2 GLY 21 HA3 GLY 21 32.399 5.617 -1.896 140 HA3 GLY 21 HA2 GLY 21 31.606 4.198 -2.562 141 H CYS 22 H CYS 22 30.540 5.594 -4.851 142 HA CYS 22 HA CYS 22 31.150 5.771 -7.075 143 HB2 CYS 22 HB3 CYS 22 31.442 8.059 -6.453 144 HB3 CYS 22 HB2 CYS 22 32.987 7.715 -5.679 145 H GLY 23 H GLY 23 31.948 3.683 -7.468 146 HA2 GLY 23 HA3 GLY 23 34.054 3.043 -8.783 147 HA3 GLY 23 HA2 GLY 23 34.877 3.302 -7.250 148 H GLY 24 H GLY 24 33.193 1.099 -9.179 149 HA2 GLY 24 HA3 GLY 24 32.850 -1.172 -8.924 150 HA3 GLY 24 HA2 GLY 24 33.683 -1.069 -7.375 151 H GLY 25 H GLY 25 30.835 0.794 -8.298 152 HA2 GLY 25 HA3 GLY 25 29.435 0.348 -5.926 153 HA3 GLY 25 HA2 GLY 25 28.699 0.855 -7.444 154 H ALA 26 H ALA 26 30.141 -1.953 -8.271 155 HA ALA 26 HA ALA 26 27.700 -3.382 -8.373 156 HB1 ALA 26 HB1 ALA 26 29.206 -5.352 -8.913 157 HB2 ALA 26 HB2 ALA 26 30.573 -4.260 -8.690 158 HB3 ALA 26 HB3 ALA 26 29.396 -3.950 -9.966 159 H VAL 27 H VAL 27 30.551 -3.676 -6.347 160 HA VAL 27 HA VAL 27 29.474 -5.697 -4.673 161 HB VAL 27 HB VAL 27 31.426 -5.165 -3.212 162 HG11 VAL 27 HG11 VAL 27 33.130 -5.832 -5.008 163 HG12 VAL 27 HG12 VAL 27 31.780 -5.763 -6.139 164 HG13 VAL 27 HG13 VAL 27 31.740 -6.895 -4.786 165 HG21 VAL 27 HG21 VAL 27 31.450 -2.681 -4.314 166 HG22 VAL 27 HG22 VAL 27 32.666 -3.460 -5.319 167 HG23 VAL 27 HG23 VAL 27 32.864 -3.411 -3.571 168 H ALA 28 H ALA 28 29.123 -2.252 -4.747 169 HA ALA 28 HA ALA 28 28.714 -1.680 -2.028 170 HB1 ALA 28 HB1 ALA 28 27.047 0.056 -2.982 171 HB2 ALA 28 HB2 ALA 28 27.597 -0.518 -4.543 172 HB3 ALA 28 HB3 ALA 28 28.748 0.191 -3.425 173 H CYS 29 H CYS 29 26.566 -3.268 -4.347 174 HA CYS 29 HA CYS 29 24.212 -3.047 -2.825 175 HB2 CYS 29 HB3 CYS 29 25.117 -5.260 -4.666 176 HB3 CYS 29 HB2 CYS 29 23.494 -5.064 -4.032 177 H GLN 30 H GLN 30 26.610 -5.668 -2.997 178 HA GLN 30 HA GLN 30 25.287 -7.181 -0.986 179 HB2 GLN 30 HB3 GLN 30 27.422 -8.528 -0.899 180 HB3 GLN 30 HB2 GLN 30 26.676 -8.417 -2.488 181 HG2 GLN 30 HG3 GLN 30 28.981 -8.019 -2.853 182 HG3 GLN 30 HG2 GLN 30 28.208 -6.449 -2.921 183 HE21 GLN 30 HE21 GLN 30 28.657 -8.022 0.210 184 HE22 GLN 30 HE22 GLN 30 29.885 -6.990 0.753 185 H ASN 31 H ASN 31 27.890 -4.827 -0.924 186 HA ASN 31 HA ASN 31 28.990 -5.202 1.551 187 HB2 ASN 31 HB3 ASN 31 28.309 -2.696 0.010 188 HB3 ASN 31 HB2 ASN 31 29.106 -2.644 1.567 189 HD21 ASN 31 HD21 ASN 31 29.817 -3.122 -1.793 190 HD22 ASN 31 HD22 ASN 31 31.404 -3.708 -1.595 191 H TYR 32 H TYR 32 25.866 -3.951 0.723 192 HA TYR 32 HA TYR 32 25.112 -2.787 3.149 193 HB2 TYR 32 HB3 TYR 32 23.815 -2.376 1.187 194 HB3 TYR 32 HB2 TYR 32 23.468 -4.096 1.000 195 HD1 TYR 32 HD2 TYR 32 22.050 -5.268 2.589 196 HD2 TYR 32 HD1 TYR 32 22.621 -1.026 2.806 197 HE1 TYR 32 HE2 TYR 32 20.103 -5.099 4.067 198 HE2 TYR 32 HE1 TYR 32 20.659 -0.838 4.298 199 HH TYR 32 HH TYR 32 18.490 -3.490 4.830 200 H ARG 33 H ARG 33 24.616 -6.189 2.085 201 HA ARG 33 HA ARG 33 23.198 -6.967 4.396 202 HB2 ARG 33 HB3 ARG 33 23.798 -8.280 2.143 203 HB3 ARG 33 HB2 ARG 33 25.133 -8.899 3.143 204 HG2 ARG 33 HG3 ARG 33 23.465 -10.493 3.522 205 HG3 ARG 33 HG2 ARG 33 23.271 -9.414 4.897 206 HD2 ARG 33 HD3 ARG 33 21.562 -9.162 2.361 207 HD3 ARG 33 HD2 ARG 33 21.095 -10.130 3.751 208 HE ARG 33 HE ARG 33 21.142 -7.229 3.614 209 HH11 ARG 33 HH21 ARG 33 21.111 -10.088 5.560 210 HH12 ARG 33 HH22 ARG 33 20.451 -9.303 6.954 211 HH21 ARG 33 HH11 ARG 33 20.291 -6.186 5.453 212 HH22 ARG 33 HH12 ARG 33 19.978 -7.098 6.889 213 H GLN 34 H GLN 34 26.610 -6.880 3.629 214 HA GLN 34 HA GLN 34 27.570 -8.064 6.028 215 HB2 GLN 34 HB3 GLN 34 29.302 -6.013 4.759 216 HB3 GLN 34 HB2 GLN 34 29.662 -7.690 5.146 217 HG2 GLN 34 HG3 GLN 34 27.999 -6.729 2.824 218 HG3 GLN 34 HG2 GLN 34 29.644 -7.322 2.721 219 HE21 GLN 34 HE21 GLN 34 27.013 -8.400 1.588 220 HE22 GLN 34 HE22 GLN 34 26.977 -10.020 2.109 221 H PHE 35 H PHE 35 27.137 -4.614 5.162 222 HA PHE 35 HA PHE 35 28.067 -3.791 7.802 223 HB2 PHE 35 HB3 PHE 35 27.091 -2.315 5.367 224 HB3 PHE 35 HB2 PHE 35 27.342 -1.472 6.890 225 HD1 PHE 35 HD2 PHE 35 29.753 -2.284 8.085 226 HD2 PHE 35 HD1 PHE 35 28.901 -2.149 3.855 227 HE1 PHE 35 HE2 PHE 35 32.166 -2.151 7.587 228 HE2 PHE 35 HE1 PHE 35 31.317 -2.020 3.382 229 HZ PHE 35 HZ PHE 35 32.952 -2.019 5.241 230 H CYS 36 H CYS 36 25.040 -3.847 5.973 231 HA CYS 36 HA CYS 36 23.598 -3.012 8.378 232 HB2 CYS 36 HB3 CYS 36 22.526 -3.369 5.577 233 HB3 CYS 36 HB2 CYS 36 21.792 -2.483 6.898 234 H ARG 37 H ARG 37 23.257 -4.735 9.638 235 HA ARG 37 HA ARG 37 22.627 -6.843 10.325 236 HB2 ARG 37 HB3 ARG 37 20.608 -6.105 8.218 237 HB3 ARG 37 HB2 ARG 37 20.511 -7.662 9.036 238 HG2 ARG 37 HG3 ARG 37 19.115 -6.075 10.231 239 HG3 ARG 37 HG2 ARG 37 20.518 -6.443 11.232 240 HD2 ARG 37 HD3 ARG 37 21.579 -4.380 10.669 241 HD3 ARG 37 HD2 ARG 37 20.443 -4.070 9.359 242 HE ARG 37 HE ARG 37 19.161 -4.275 11.932 243 HH11 ARG 37 HH21 ARG 37 20.910 -2.251 9.742 244 HH12 ARG 37 HH22 ARG 37 20.244 -0.773 10.353 245 HH21 ARG 37 HH11 ARG 37 18.277 -2.341 12.742 246 HH22 ARG 37 HH12 ARG 37 18.753 -0.825 12.052 247 H2 BGC 101 H2 GLC 0 34.567 8.155 -9.988 248 H3 BGC 101 H3 GLC 0 36.245 5.862 -8.809 249 H4 BGC 101 H4 GLC 0 36.970 8.836 -9.029 250 H5 BGC 101 H5 GLC 0 36.260 7.197 -6.502 251 H6C1 BGC 101 H61 GLC 0 37.135 8.862 -5.271 252 H6C2 BGC 101 H62 GLC 0 37.825 9.565 -6.750 253 H1 BGC 101 H1 GLC 0 34.098 6.540 -7.382 254 HB BGC 101 HO2 GLC 0 33.025 6.428 -9.984 255 HC BGC 101 HO3 GLC 0 37.579 6.301 -10.452 256 HD BGC 101 HO4 GLC 0 38.871 8.049 -8.658 257 H6 BGC 101 HO6 GLC 0 35.981 10.561 -5.192 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 25.016 1.396 7.815 2 H2 GLY 1 H2 GLY 1 26.697 1.148 7.860 3 H3 GLY 1 H3 GLY 1 25.824 0.823 6.438 4 HA2 GLY 1 HA3 GLY 1 26.809 2.859 5.983 5 HA3 GLY 1 HA2 GLY 1 25.183 3.285 6.507 6 H LEU 2 H LEU 2 26.076 2.289 9.281 7 HA LEU 2 HA LEU 2 26.811 3.253 11.233 8 HB2 LEU 2 HB3 LEU 2 28.800 4.695 9.458 9 HB3 LEU 2 HB2 LEU 2 28.979 4.340 11.169 10 HG LEU 2 HG LEU 2 28.583 2.053 9.238 11 HD11 LEU 2 HD11 LEU 2 31.018 1.923 8.901 12 HD12 LEU 2 HD12 LEU 2 31.223 3.438 9.781 13 HD13 LEU 2 HD13 LEU 2 30.366 3.423 8.240 14 HD21 LEU 2 HD21 LEU 2 30.031 0.910 10.909 15 HD22 LEU 2 HD22 LEU 2 28.580 1.580 11.647 16 HD23 LEU 2 HD23 LEU 2 30.124 2.410 11.830 17 H GLY 3 H GLY 3 25.253 4.817 8.884 18 HA2 GLY 3 HA3 GLY 3 24.761 7.181 10.544 19 HA3 GLY 3 HA2 GLY 3 25.342 7.462 8.910 20 H LYS 4 H LYS 4 22.845 8.301 10.010 21 HA LYS 4 HA LYS 4 20.714 6.609 9.158 22 HB2 LYS 4 HB3 LYS 4 19.310 8.527 9.608 23 HB3 LYS 4 HB2 LYS 4 20.610 8.603 10.794 24 HG2 LYS 4 HG3 LYS 4 21.829 10.201 9.218 25 HG3 LYS 4 HG2 LYS 4 20.386 10.223 8.230 26 HD2 LYS 4 HD3 LYS 4 20.307 12.141 9.696 27 HD3 LYS 4 HD2 LYS 4 19.062 11.003 10.202 28 HE2 LYS 4 HE3 LYS 4 20.232 10.383 12.130 29 HE3 LYS 4 HE2 LYS 4 21.792 10.874 11.469 30 HZ1 LYS 4 HZ1 LYS 4 21.030 13.188 11.593 31 HZ2 LYS 4 HZ2 LYS 4 21.047 12.442 13.121 32 HZ3 LYS 4 HZ3 LYS 4 19.578 12.669 12.299 33 H ALA 5 H ALA 5 19.873 6.399 7.166 34 HA ALA 5 HA ALA 5 19.520 6.724 4.931 35 HB1 ALA 5 HB1 ALA 5 19.330 8.893 4.133 36 HB2 ALA 5 HB2 ALA 5 20.730 9.462 5.042 37 HB3 ALA 5 HB3 ALA 5 19.201 9.168 5.869 38 H GLN 6 H GLN 6 22.578 7.131 6.421 39 HA GLN 6 HA GLN 6 24.101 7.392 4.078 40 HB2 GLN 6 HB3 GLN 6 25.221 7.890 6.169 41 HB3 GLN 6 HB2 GLN 6 24.751 6.347 6.850 42 HG2 GLN 6 HG3 GLN 6 27.174 6.633 6.015 43 HG3 GLN 6 HG2 GLN 6 26.343 5.139 5.608 44 HE21 GLN 6 HE21 GLN 6 27.062 4.639 3.500 45 HE22 GLN 6 HE22 GLN 6 27.072 5.733 2.202 46 H CYS 7 H CYS 7 22.897 4.835 6.101 47 HA CYS 7 HA CYS 7 24.019 2.662 4.644 48 HB2 CYS 7 HB3 CYS 7 22.988 2.875 7.124 49 HB3 CYS 7 HB2 CYS 7 21.589 2.197 6.301 50 H ALA 8 H ALA 8 20.692 3.883 4.867 51 HA ALA 8 HA ALA 8 19.625 2.077 3.009 52 HB1 ALA 8 HB1 ALA 8 17.835 3.891 2.763 53 HB2 ALA 8 HB2 ALA 8 18.795 4.814 3.920 54 HB3 ALA 8 HB3 ALA 8 18.112 3.259 4.386 55 H ALA 9 H ALA 9 20.939 5.304 2.555 56 HA ALA 9 HA ALA 9 20.361 5.467 -0.209 57 HB1 ALA 9 HB1 ALA 9 22.609 6.843 1.269 58 HB2 ALA 9 HB2 ALA 9 20.940 7.415 1.262 59 HB3 ALA 9 HB3 ALA 9 21.859 7.352 -0.241 60 H LEU 10 H LEU 10 22.991 4.124 1.656 61 HA LEU 10 HA LEU 10 24.848 3.813 -0.449 62 HB2 LEU 10 HB3 LEU 10 25.472 3.730 1.883 63 HB3 LEU 10 HB2 LEU 10 24.485 2.304 2.128 64 HG LEU 10 HG LEU 10 25.892 0.958 0.690 65 HD11 LEU 10 HD11 LEU 10 26.619 2.364 -1.063 66 HD12 LEU 10 HD12 LEU 10 28.087 2.097 -0.133 67 HD13 LEU 10 HD13 LEU 10 27.204 3.610 0.046 68 HD21 LEU 10 HD21 LEU 10 26.691 1.105 2.959 69 HD22 LEU 10 HD22 LEU 10 27.379 2.700 2.690 70 HD23 LEU 10 HD23 LEU 10 28.110 1.293 1.937 71 H TRP 11 H TRP 11 22.204 1.742 0.707 72 HA TRP 11 HA TRP 11 22.957 -0.365 -1.143 73 HB2 TRP 11 HB3 TRP 11 21.764 -1.445 0.456 74 HB3 TRP 11 HB2 TRP 11 21.020 0.048 1.007 75 HD1 TRP 11 HD1 TRP 11 18.594 0.368 0.484 76 HE1 TRP 11 HE1 TRP 11 16.826 -0.834 -0.956 77 HE3 TRP 11 HE3 TRP 11 21.631 -2.789 -2.100 78 HZ2 TRP 11 HZ2 TRP 11 16.735 -2.868 -2.977 79 HZ3 TRP 11 HZ3 TRP 11 20.688 -4.347 -3.782 80 HH2 TRP 11 HH2 TRP 11 18.249 -4.385 -4.230 81 H LEU 12 H LEU 12 20.466 2.154 -0.972 82 HA LEU 12 HA LEU 12 19.126 1.457 -3.355 83 HB2 LEU 12 HB3 LEU 12 18.457 3.050 -1.407 84 HB3 LEU 12 HB2 LEU 12 19.301 4.278 -2.328 85 HG LEU 12 HG LEU 12 17.815 3.280 -4.336 86 HD11 LEU 12 HD11 LEU 12 15.904 2.964 -2.016 87 HD12 LEU 12 HD12 LEU 12 16.817 1.590 -2.634 88 HD13 LEU 12 HD13 LEU 12 15.699 2.451 -3.690 89 HD21 LEU 12 HD21 LEU 12 16.947 5.254 -2.210 90 HD22 LEU 12 HD22 LEU 12 16.050 5.008 -3.709 91 HD23 LEU 12 HD23 LEU 12 17.710 5.602 -3.763 92 H GLN 13 H GLN 13 21.728 3.767 -2.722 93 HA GLN 13 HA GLN 13 21.824 4.870 -5.317 94 HB2 GLN 13 HB3 GLN 13 23.933 5.746 -4.654 95 HB3 GLN 13 HB2 GLN 13 22.863 5.864 -3.282 96 HG2 GLN 13 HG3 GLN 13 24.770 4.984 -2.297 97 HG3 GLN 13 HG2 GLN 13 23.907 3.515 -2.704 98 HE21 GLN 13 HE21 GLN 13 25.659 5.622 -5.003 99 HE22 GLN 13 HE22 GLN 13 26.799 4.455 -5.449 100 H CYS 14 H CYS 14 23.242 2.089 -3.830 101 HA CYS 14 HA CYS 14 25.177 1.426 -5.736 102 HB2 CYS 14 HB3 CYS 14 24.836 0.358 -3.446 103 HB3 CYS 14 HB2 CYS 14 23.534 -0.570 -4.176 104 H ALA 15 H ALA 15 21.795 1.302 -5.940 105 HA ALA 15 HA ALA 15 21.473 -0.800 -7.781 106 HB1 ALA 15 HB1 ALA 15 19.288 0.022 -8.042 107 HB2 ALA 15 HB2 ALA 15 19.787 1.686 -7.730 108 HB3 ALA 15 HB3 ALA 15 19.732 0.521 -6.406 109 H SER 16 H SER 16 22.213 2.592 -8.086 110 HA SER 16 HA SER 16 22.600 2.306 -10.998 111 HB2 SER 16 HB3 SER 16 21.080 4.084 -10.592 112 HB3 SER 16 HB2 SER 16 22.033 4.688 -9.240 113 HG SER 16 HG SER 16 22.438 5.944 -11.054 114 H GLY 17 H GLY 17 24.065 3.108 -7.979 115 HA2 GLY 17 HA3 GLY 17 26.275 3.215 -7.329 116 HA3 GLY 17 HA2 GLY 17 26.731 2.760 -8.977 117 H GLY 18 H GLY 18 24.832 5.419 -7.597 118 HA2 GLY 18 HA3 GLY 18 26.360 7.272 -9.297 119 HA3 GLY 18 HA2 GLY 18 24.742 7.545 -8.715 120 H THR 19 H THR 19 25.397 6.849 -5.929 121 HA THR 19 HA THR 19 26.430 9.470 -5.179 122 HB THR 19 HB THR 19 25.725 8.851 -2.936 123 HG1 THR 19 HG1 THR 19 24.669 6.543 -3.129 124 HG21 THR 19 HG21 THR 19 23.893 9.590 -4.356 125 HG22 THR 19 HG22 THR 19 23.309 8.183 -3.464 126 HG23 THR 19 HG23 THR 19 23.798 8.021 -5.150 127 H ILE 20 H ILE 20 27.019 7.317 -2.764 128 HA ILE 20 HA ILE 20 29.851 7.718 -2.712 129 HB ILE 20 HB ILE 20 28.126 5.787 -1.120 130 HG12 ILE 20 HG13 ILE 20 28.937 8.580 -0.290 131 HG13 ILE 20 HG12 ILE 20 27.399 8.255 -1.081 132 HG21 ILE 20 HG21 ILE 20 30.862 7.009 -0.690 133 HG22 ILE 20 HG22 ILE 20 30.460 5.299 -0.846 134 HG23 ILE 20 HG23 ILE 20 29.956 6.196 0.587 135 HD11 ILE 20 HD11 ILE 20 28.318 6.851 1.444 136 HD12 ILE 20 HD12 ILE 20 26.723 6.750 0.694 137 HD13 ILE 20 HD13 ILE 20 27.257 8.260 1.430 138 H GLY 21 H GLY 21 27.649 5.348 -3.995 139 HA2 GLY 21 HA3 GLY 21 29.441 3.133 -4.043 140 HA3 GLY 21 HA2 GLY 21 28.017 3.319 -5.053 141 H CYS 22 H CYS 22 28.297 3.700 -7.132 142 HA CYS 22 HA CYS 22 29.356 3.873 -9.158 143 HB2 CYS 22 HB3 CYS 22 29.191 6.225 -8.559 144 HB3 CYS 22 HB2 CYS 22 30.684 6.117 -7.633 145 H GLY 23 H GLY 23 31.520 3.944 -10.279 146 HA2 GLY 23 HA3 GLY 23 33.470 2.778 -10.709 147 HA3 GLY 23 HA2 GLY 23 33.988 3.485 -9.190 148 H GLY 24 H GLY 24 32.289 0.737 -10.577 149 HA2 GLY 24 HA3 GLY 24 32.318 -1.502 -10.002 150 HA3 GLY 24 HA2 GLY 24 33.642 -1.135 -8.899 151 H GLY 25 H GLY 25 30.755 0.707 -8.608 152 HA2 GLY 25 HA3 GLY 25 30.349 0.100 -5.911 153 HA3 GLY 25 HA2 GLY 25 29.153 0.843 -6.965 154 H ALA 26 H ALA 26 30.040 -2.047 -8.354 155 HA ALA 26 HA ALA 26 27.555 -3.246 -8.000 156 HB1 ALA 26 HB1 ALA 26 30.195 -4.598 -8.574 157 HB2 ALA 26 HB2 ALA 26 29.130 -3.883 -9.783 158 HB3 ALA 26 HB3 ALA 26 28.600 -5.290 -8.863 159 H VAL 27 H VAL 27 30.610 -3.782 -6.340 160 HA VAL 27 HA VAL 27 29.644 -5.795 -4.560 161 HB VAL 27 HB VAL 27 32.034 -5.487 -5.203 162 HG11 VAL 27 HG11 VAL 27 33.353 -3.734 -4.182 163 HG12 VAL 27 HG12 VAL 27 31.955 -3.144 -3.286 164 HG13 VAL 27 HG13 VAL 27 32.008 -2.990 -5.042 165 HG21 VAL 27 HG21 VAL 27 31.365 -6.761 -3.153 166 HG22 VAL 27 HG22 VAL 27 31.552 -5.283 -2.213 167 HG23 VAL 27 HG23 VAL 27 32.949 -6.005 -3.003 168 H ALA 28 H ALA 28 29.477 -2.331 -4.550 169 HA ALA 28 HA ALA 28 29.339 -1.857 -1.789 170 HB1 ALA 28 HB1 ALA 28 27.484 -0.145 -3.195 171 HB2 ALA 28 HB2 ALA 28 28.944 -0.354 -4.143 172 HB3 ALA 28 HB3 ALA 28 29.051 0.263 -2.508 173 H CYS 29 H CYS 29 26.962 -3.204 -4.001 174 HA CYS 29 HA CYS 29 24.674 -2.798 -2.421 175 HB2 CYS 29 HB3 CYS 29 25.328 -5.106 -4.250 176 HB3 CYS 29 HB2 CYS 29 23.746 -4.706 -3.623 177 H GLN 30 H GLN 30 26.901 -5.583 -2.580 178 HA GLN 30 HA GLN 30 25.443 -7.007 -0.601 179 HB2 GLN 30 HB3 GLN 30 27.620 -8.396 -0.374 180 HB3 GLN 30 HB2 GLN 30 26.747 -8.455 -1.895 181 HG2 GLN 30 HG3 GLN 30 28.905 -8.131 -2.656 182 HG3 GLN 30 HG2 GLN 30 28.367 -6.475 -2.551 183 HE21 GLN 30 HE21 GLN 30 30.288 -8.964 -0.877 184 HE22 GLN 30 HE22 GLN 30 31.193 -7.876 0.061 185 H ASN 31 H ASN 31 28.061 -4.721 -0.430 186 HA ASN 31 HA ASN 31 29.026 -5.119 2.126 187 HB2 ASN 31 HB3 ASN 31 28.576 -2.599 0.499 188 HB3 ASN 31 HB2 ASN 31 29.292 -2.578 2.091 189 HD21 ASN 31 HD21 ASN 31 30.005 -3.433 -1.243 190 HD22 ASN 31 HD22 ASN 31 31.589 -3.989 -0.960 191 H TYR 32 H TYR 32 26.002 -3.752 1.094 192 HA TYR 32 HA TYR 32 25.173 -2.495 3.439 193 HB2 TYR 32 HB3 TYR 32 23.912 -2.168 1.440 194 HB3 TYR 32 HB2 TYR 32 23.612 -3.898 1.290 195 HD1 TYR 32 HD1 TYR 32 22.210 -5.072 2.950 196 HD2 TYR 32 HD2 TYR 32 22.530 -0.796 2.871 197 HE1 TYR 32 HE1 TYR 32 20.198 -4.916 4.345 198 HE2 TYR 32 HE2 TYR 32 20.493 -0.620 4.269 199 HH TYR 32 HH TYR 32 18.537 -3.444 5.043 200 H ARG 33 H ARG 33 24.651 -5.922 2.495 201 HA ARG 33 HA ARG 33 23.185 -6.547 4.844 202 HB2 ARG 33 HB3 ARG 33 23.741 -7.910 2.553 203 HB3 ARG 33 HB2 ARG 33 24.867 -8.715 3.655 204 HG2 ARG 33 HG3 ARG 33 22.948 -10.008 3.926 205 HG3 ARG 33 HG2 ARG 33 22.795 -8.860 5.254 206 HD2 ARG 33 HD3 ARG 33 20.634 -8.866 4.238 207 HD3 ARG 33 HD2 ARG 33 21.391 -7.414 3.597 208 HE ARG 33 HE ARG 33 20.929 -9.941 2.144 209 HH11 ARG 33 HH21 ARG 33 22.087 -6.662 2.165 210 HH12 ARG 33 HH22 ARG 33 22.066 -6.512 0.443 211 HH21 ARG 33 HH11 ARG 33 20.931 -9.734 -0.098 212 HH22 ARG 33 HH12 ARG 33 21.418 -8.244 -0.833 213 H GLN 34 H GLN 34 26.575 -6.621 3.999 214 HA GLN 34 HA GLN 34 27.594 -7.905 6.298 215 HB2 GLN 34 HB3 GLN 34 28.907 -5.796 4.606 216 HB3 GLN 34 HB2 GLN 34 29.714 -7.031 5.565 217 HG2 GLN 34 HG3 GLN 34 28.654 -8.788 4.194 218 HG3 GLN 34 HG2 GLN 34 27.876 -7.547 3.219 219 HE21 GLN 34 HE21 GLN 34 28.978 -7.115 1.331 220 HE22 GLN 34 HE22 GLN 34 30.662 -7.247 1.127 221 H PHE 35 H PHE 35 27.126 -4.430 5.591 222 HA PHE 35 HA PHE 35 28.108 -3.710 8.249 223 HB2 PHE 35 HB3 PHE 35 27.112 -2.125 5.889 224 HB3 PHE 35 HB2 PHE 35 27.393 -1.356 7.445 225 HD1 PHE 35 HD2 PHE 35 29.819 -2.219 8.560 226 HD2 PHE 35 HD1 PHE 35 28.899 -1.916 4.355 227 HE1 PHE 35 HE2 PHE 35 32.227 -2.087 8.023 228 HE2 PHE 35 HE1 PHE 35 31.312 -1.795 3.846 229 HZ PHE 35 HZ PHE 35 32.976 -1.879 5.674 230 H CYS 36 H CYS 36 25.092 -3.587 6.388 231 HA CYS 36 HA CYS 36 23.622 -3.006 8.868 232 HB2 CYS 36 HB3 CYS 36 23.289 -2.290 6.035 233 HB3 CYS 36 HB2 CYS 36 21.793 -2.821 6.790 234 H ARG 37 H ARG 37 23.125 -4.821 9.876 235 HA ARG 37 HA ARG 37 22.402 -6.962 10.286 236 HB2 ARG 37 HB3 ARG 37 20.300 -5.762 9.684 237 HB3 ARG 37 HB2 ARG 37 20.517 -6.292 8.016 238 HG2 ARG 37 HG3 ARG 37 20.528 -8.650 8.807 239 HG3 ARG 37 HG2 ARG 37 20.192 -8.081 10.438 240 HD2 ARG 37 HD3 ARG 37 18.433 -7.487 8.046 241 HD3 ARG 37 HD2 ARG 37 18.142 -8.804 9.178 242 HE ARG 37 HE ARG 37 18.404 -6.425 10.653 243 HH11 ARG 37 HH21 ARG 37 16.335 -7.924 8.320 244 HH12 ARG 37 HH22 ARG 37 14.905 -7.111 8.861 245 HH21 ARG 37 HH11 ARG 37 16.535 -5.356 11.370 246 HH22 ARG 37 HH12 ARG 37 15.019 -5.656 10.590 247 H2 BGC 101 H2 GLC 0 32.598 6.582 -11.802 248 H3 BGC 101 H3 GLC 0 34.436 4.581 -10.358 249 H4 BGC 101 H4 GLC 0 34.793 7.613 -10.672 250 H5 BGC 101 H5 GLC 0 34.063 6.001 -8.134 251 H6C1 BGC 101 H61 GLC 0 34.598 7.817 -6.921 252 H6C2 BGC 101 H62 GLC 0 35.330 8.542 -8.370 253 H1 BGC 101 H1 GLC 0 32.096 5.029 -9.165 254 HB BGC 101 HO2 GLC 0 31.296 4.668 -11.842 255 HC BGC 101 HO3 GLC 0 35.852 5.123 -11.899 256 HD BGC 101 HO4 GLC 0 36.736 7.100 -10.093 257 H6 BGC 101 HO6 GLC 0 33.235 9.351 -7.036 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 26.766 4.857 4.751 2 H2 GLY 1 H2 GLY 1 27.225 3.222 4.781 3 H3 GLY 1 H3 GLY 1 27.729 4.225 3.507 4 HA2 GLY 1 HA3 GLY 1 29.519 3.801 5.111 5 HA3 GLY 1 HA2 GLY 1 29.108 5.511 4.977 6 H LEU 2 H LEU 2 27.350 2.903 6.621 7 HA LEU 2 HA LEU 2 26.428 2.864 8.737 8 HB2 LEU 2 HB3 LEU 2 29.306 3.610 9.346 9 HB3 LEU 2 HB2 LEU 2 28.149 3.022 10.539 10 HG LEU 2 HG LEU 2 27.848 1.066 8.691 11 HD11 LEU 2 HD11 LEU 2 29.670 2.305 7.303 12 HD12 LEU 2 HD12 LEU 2 29.816 0.559 7.493 13 HD13 LEU 2 HD13 LEU 2 30.807 1.641 8.472 14 HD21 LEU 2 HD21 LEU 2 30.031 1.276 10.790 15 HD22 LEU 2 HD22 LEU 2 29.582 -0.231 9.992 16 HD23 LEU 2 HD23 LEU 2 28.410 0.614 11.002 17 H GLY 3 H GLY 3 25.266 4.822 7.975 18 HA2 GLY 3 HA3 GLY 3 25.317 6.788 10.081 19 HA3 GLY 3 HA2 GLY 3 25.794 7.448 8.527 20 H LYS 4 H LYS 4 23.593 8.427 9.778 21 HA LYS 4 HA LYS 4 21.149 7.149 9.121 22 HB2 LYS 4 HB3 LYS 4 20.121 9.278 9.690 23 HB3 LYS 4 HB2 LYS 4 21.511 9.110 10.763 24 HG2 LYS 4 HG3 LYS 4 22.847 10.506 9.103 25 HG3 LYS 4 HG2 LYS 4 21.352 10.794 8.240 26 HD2 LYS 4 HD3 LYS 4 20.330 11.818 10.212 27 HD3 LYS 4 HD2 LYS 4 21.788 11.513 11.156 28 HE2 LYS 4 HE3 LYS 4 23.084 12.932 9.589 29 HE3 LYS 4 HE2 LYS 4 21.607 13.261 8.683 30 HZ1 LYS 4 HZ1 LYS 4 21.399 13.726 11.522 31 HZ2 LYS 4 HZ2 LYS 4 20.884 14.689 10.221 32 HZ3 LYS 4 HZ3 LYS 4 22.502 14.745 10.735 33 H ALA 5 H ALA 5 20.152 7.009 7.232 34 HA ALA 5 HA ALA 5 19.562 7.328 5.045 35 HB1 ALA 5 HB1 ALA 5 19.496 9.780 5.939 36 HB2 ALA 5 HB2 ALA 5 19.521 9.505 4.198 37 HB3 ALA 5 HB3 ALA 5 21.000 9.970 5.038 38 H GLN 6 H GLN 6 22.825 7.645 6.142 39 HA GLN 6 HA GLN 6 24.053 7.647 3.615 40 HB2 GLN 6 HB3 GLN 6 24.916 7.150 6.421 41 HB3 GLN 6 HB2 GLN 6 25.959 6.553 5.165 42 HG2 GLN 6 HG3 GLN 6 26.345 8.956 6.161 43 HG3 GLN 6 HG2 GLN 6 26.533 8.716 4.431 44 HE21 GLN 6 HE21 GLN 6 24.647 10.286 6.916 45 HE22 GLN 6 HE22 GLN 6 23.586 11.112 5.881 46 H CYS 7 H CYS 7 23.024 5.291 5.951 47 HA CYS 7 HA CYS 7 24.020 3.006 4.577 48 HB2 CYS 7 HB3 CYS 7 23.145 3.366 7.080 49 HB3 CYS 7 HB2 CYS 7 21.655 2.737 6.383 50 H ALA 8 H ALA 8 20.761 4.418 4.843 51 HA ALA 8 HA ALA 8 19.502 2.583 3.130 52 HB1 ALA 8 HB1 ALA 8 18.929 5.425 3.907 53 HB2 ALA 8 HB2 ALA 8 18.096 3.961 4.423 54 HB3 ALA 8 HB3 ALA 8 17.881 4.562 2.779 55 H ALA 9 H ALA 9 21.010 5.689 2.429 56 HA ALA 9 HA ALA 9 20.401 5.729 -0.327 57 HB1 ALA 9 HB1 ALA 9 22.109 7.455 -0.492 58 HB2 ALA 9 HB2 ALA 9 22.756 7.000 1.084 59 HB3 ALA 9 HB3 ALA 9 21.148 7.715 0.964 60 H LEU 10 H LEU 10 22.993 4.292 1.548 61 HA LEU 10 HA LEU 10 24.760 3.735 -0.567 62 HB2 LEU 10 HB3 LEU 10 25.314 3.654 1.831 63 HB3 LEU 10 HB2 LEU 10 24.284 2.247 2.018 64 HG LEU 10 HG LEU 10 25.704 0.904 0.576 65 HD11 LEU 10 HD11 LEU 10 27.150 3.525 0.107 66 HD12 LEU 10 HD12 LEU 10 26.554 2.368 -1.087 67 HD13 LEU 10 HD13 LEU 10 27.964 1.976 -0.113 68 HD21 LEU 10 HD21 LEU 10 26.394 0.913 2.865 69 HD22 LEU 10 HD22 LEU 10 27.113 2.514 2.727 70 HD23 LEU 10 HD23 LEU 10 27.872 1.141 1.936 71 H TRP 11 H TRP 11 21.986 1.850 0.743 72 HA TRP 11 HA TRP 11 22.445 -0.267 -1.200 73 HB2 TRP 11 HB3 TRP 11 21.172 -1.393 0.300 74 HB3 TRP 11 HB2 TRP 11 20.878 0.102 1.174 75 HD1 TRP 11 HD1 TRP 11 18.576 1.220 0.938 76 HE1 TRP 11 HE1 TRP 11 16.354 0.547 -0.174 77 HE3 TRP 11 HE3 TRP 11 20.220 -2.624 -1.980 78 HZ2 TRP 11 HZ2 TRP 11 15.408 -1.366 -2.083 79 HZ3 TRP 11 HZ3 TRP 11 18.639 -3.852 -3.438 80 HH2 TRP 11 HH2 TRP 11 16.240 -3.226 -3.500 81 H LEU 12 H LEU 12 20.283 2.501 -0.850 82 HA LEU 12 HA LEU 12 18.604 1.962 -3.022 83 HB2 LEU 12 HB3 LEU 12 18.567 3.779 -1.092 84 HB3 LEU 12 HB2 LEU 12 19.323 4.784 -2.311 85 HG LEU 12 HG LEU 12 16.950 5.150 -2.455 86 HD11 LEU 12 HD11 LEU 12 18.339 4.774 -4.598 87 HD12 LEU 12 HD12 LEU 12 16.585 4.754 -4.742 88 HD13 LEU 12 HD13 LEU 12 17.478 3.239 -4.726 89 HD21 LEU 12 HD21 LEU 12 16.578 2.651 -1.448 90 HD22 LEU 12 HD22 LEU 12 16.234 2.333 -3.149 91 HD23 LEU 12 HD23 LEU 12 15.315 3.554 -2.275 92 H GLN 13 H GLN 13 21.617 3.846 -2.852 93 HA GLN 13 HA GLN 13 21.650 4.692 -5.532 94 HB2 GLN 13 HB3 GLN 13 23.824 4.150 -3.507 95 HB3 GLN 13 HB2 GLN 13 24.158 4.787 -5.113 96 HG2 GLN 13 HG3 GLN 13 22.693 6.649 -4.720 97 HG3 GLN 13 HG2 GLN 13 22.245 6.049 -3.149 98 HE21 GLN 13 HE21 GLN 13 24.399 5.521 -1.755 99 HE22 GLN 13 HE22 GLN 13 25.547 6.774 -1.765 100 H CYS 14 H CYS 14 22.839 1.814 -3.927 101 HA CYS 14 HA CYS 14 24.176 0.657 -6.095 102 HB2 CYS 14 HB3 CYS 14 23.829 -0.074 -3.510 103 HB3 CYS 14 HB2 CYS 14 22.719 -1.199 -4.280 104 H ALA 15 H ALA 15 21.027 1.470 -5.967 105 HA ALA 15 HA ALA 15 19.768 -0.737 -7.227 106 HB1 ALA 15 HB1 ALA 15 18.533 1.021 -6.023 107 HB2 ALA 15 HB2 ALA 15 17.969 0.863 -7.690 108 HB3 ALA 15 HB3 ALA 15 19.038 2.192 -7.241 109 H SER 16 H SER 16 21.430 2.132 -8.327 110 HA SER 16 HA SER 16 21.062 1.328 -11.139 111 HB2 SER 16 HB3 SER 16 21.322 3.559 -11.735 112 HB3 SER 16 HB2 SER 16 20.543 3.709 -10.160 113 HG SER 16 HG SER 16 22.280 4.638 -9.462 114 H GLY 17 H GLY 17 23.393 1.600 -8.622 115 HA2 GLY 17 HA3 GLY 17 25.442 0.276 -8.867 116 HA3 GLY 17 HA2 GLY 17 25.565 0.886 -10.517 117 H GLY 18 H GLY 18 24.874 2.482 -7.404 118 HA2 GLY 18 HA3 GLY 18 27.293 4.133 -7.738 119 HA3 GLY 18 HA2 GLY 18 25.735 4.901 -7.476 120 H THR 19 H THR 19 27.672 5.455 -5.719 121 HA THR 19 HA THR 19 26.637 4.349 -3.235 122 HB THR 19 HB THR 19 28.612 3.417 -2.408 123 HG1 THR 19 HG1 THR 19 30.445 4.289 -4.205 124 HG21 THR 19 HG21 THR 19 27.943 2.060 -4.381 125 HG22 THR 19 HG22 THR 19 29.696 2.063 -4.192 126 HG23 THR 19 HG23 THR 19 28.945 3.076 -5.421 127 H ILE 20 H ILE 20 28.298 5.433 -1.439 128 HA ILE 20 HA ILE 20 27.765 8.243 -1.627 129 HB ILE 20 HB ILE 20 29.482 6.723 0.359 130 HG12 ILE 20 HG13 ILE 20 26.569 7.518 0.598 131 HG13 ILE 20 HG12 ILE 20 27.095 5.907 0.120 132 HG21 ILE 20 HG21 ILE 20 28.911 8.654 1.832 133 HG22 ILE 20 HG22 ILE 20 28.118 9.430 0.460 134 HG23 ILE 20 HG23 ILE 20 29.857 9.132 0.422 135 HD11 ILE 20 HD11 ILE 20 27.870 7.282 2.713 136 HD12 ILE 20 HD12 ILE 20 28.309 5.643 2.233 137 HD13 ILE 20 HD13 ILE 20 26.623 6.044 2.559 138 H GLY 21 H GLY 21 30.642 6.176 -1.785 139 HA2 GLY 21 HA3 GLY 21 32.364 8.472 -2.355 140 HA3 GLY 21 HA2 GLY 21 32.889 6.817 -2.088 141 H CYS 22 H CYS 22 30.412 6.435 -4.144 142 HA CYS 22 HA CYS 22 30.278 5.862 -6.361 143 HB2 CYS 22 HB3 CYS 22 30.170 8.213 -6.741 144 HB3 CYS 22 HB2 CYS 22 31.901 8.402 -6.475 145 H GLY 23 H GLY 23 31.235 4.042 -7.026 146 HA2 GLY 23 HA3 GLY 23 33.508 3.782 -8.460 147 HA3 GLY 23 HA2 GLY 23 34.098 3.652 -6.809 148 H GLY 24 H GLY 24 32.536 2.070 -9.386 149 HA2 GLY 24 HA3 GLY 24 31.762 -0.079 -9.702 150 HA3 GLY 24 HA2 GLY 24 32.941 -0.518 -8.469 151 H GLY 25 H GLY 25 29.833 1.248 -8.497 152 HA2 GLY 25 HA3 GLY 25 29.040 0.535 -5.922 153 HA3 GLY 25 HA2 GLY 25 27.941 0.999 -7.214 154 H ALA 26 H ALA 26 29.558 -1.580 -8.439 155 HA ALA 26 HA ALA 26 27.342 -3.295 -8.304 156 HB1 ALA 26 HB1 ALA 26 30.245 -3.905 -8.868 157 HB2 ALA 26 HB2 ALA 26 28.988 -3.556 -10.055 158 HB3 ALA 26 HB3 ALA 26 28.926 -5.049 -9.118 159 H VAL 27 H VAL 27 30.396 -3.351 -6.544 160 HA VAL 27 HA VAL 27 29.680 -5.578 -4.883 161 HB VAL 27 HB VAL 27 32.023 -4.950 -5.511 162 HG11 VAL 27 HG11 VAL 27 33.134 -3.140 -4.352 163 HG12 VAL 27 HG12 VAL 27 31.677 -2.776 -3.432 164 HG13 VAL 27 HG13 VAL 27 31.714 -2.494 -5.165 165 HG21 VAL 27 HG21 VAL 27 31.541 -6.450 -3.588 166 HG22 VAL 27 HG22 VAL 27 31.480 -5.045 -2.530 167 HG23 VAL 27 HG23 VAL 27 32.989 -5.481 -3.320 168 H ALA 28 H ALA 28 29.081 -2.176 -4.752 169 HA ALA 28 HA ALA 28 28.887 -1.829 -1.965 170 HB1 ALA 28 HB1 ALA 28 27.669 -0.464 -4.323 171 HB2 ALA 28 HB2 ALA 28 28.773 0.182 -3.125 172 HB3 ALA 28 HB3 ALA 28 27.075 -0.070 -2.723 173 H CYS 29 H CYS 29 26.720 -3.388 -4.255 174 HA CYS 29 HA CYS 29 24.368 -3.267 -2.752 175 HB2 CYS 29 HB3 CYS 29 25.352 -5.483 -4.550 176 HB3 CYS 29 HB2 CYS 29 23.711 -5.284 -3.971 177 H GLN 30 H GLN 30 26.878 -5.786 -2.881 178 HA GLN 30 HA GLN 30 25.562 -7.356 -0.912 179 HB2 GLN 30 HB3 GLN 30 27.848 -8.539 -0.702 180 HB3 GLN 30 HB2 GLN 30 27.001 -8.641 -2.238 181 HG2 GLN 30 HG3 GLN 30 29.122 -8.082 -2.980 182 HG3 GLN 30 HG2 GLN 30 28.440 -6.482 -2.802 183 HE21 GLN 30 HE21 GLN 30 30.440 -8.902 -1.074 184 HE22 GLN 30 HE22 GLN 30 31.289 -7.765 -0.141 185 H ASN 31 H ASN 31 27.990 -4.861 -0.728 186 HA ASN 31 HA ASN 31 28.964 -5.189 1.833 187 HB2 ASN 31 HB3 ASN 31 28.348 -2.713 0.196 188 HB3 ASN 31 HB2 ASN 31 29.052 -2.634 1.796 189 HD21 ASN 31 HD21 ASN 31 29.886 -3.312 -1.522 190 HD22 ASN 31 HD22 ASN 31 31.486 -3.812 -1.226 191 H TYR 32 H TYR 32 25.882 -3.927 0.783 192 HA TYR 32 HA TYR 32 24.996 -2.759 3.151 193 HB2 TYR 32 HB3 TYR 32 23.766 -2.412 1.138 194 HB3 TYR 32 HB2 TYR 32 23.513 -4.145 0.939 195 HD1 TYR 32 HD2 TYR 32 22.104 -5.402 2.493 196 HD2 TYR 32 HD1 TYR 32 22.354 -1.115 2.619 197 HE1 TYR 32 HE2 TYR 32 20.071 -5.339 3.860 198 HE2 TYR 32 HE1 TYR 32 20.299 -1.033 3.988 199 HH TYR 32 HH TYR 32 19.122 -2.763 5.644 200 H ARG 33 H ARG 33 24.589 -6.155 2.106 201 HA ARG 33 HA ARG 33 23.067 -6.960 4.343 202 HB2 ARG 33 HB3 ARG 33 23.596 -8.208 2.132 203 HB3 ARG 33 HB2 ARG 33 25.071 -8.737 2.967 204 HG2 ARG 33 HG3 ARG 33 23.829 -9.878 4.663 205 HG3 ARG 33 HG2 ARG 33 22.308 -9.119 4.185 206 HD2 ARG 33 HD3 ARG 33 22.418 -11.481 3.378 207 HD3 ARG 33 HD2 ARG 33 22.351 -10.358 2.017 208 HE ARG 33 HE ARG 33 24.670 -11.954 2.865 209 HH11 ARG 33 HH21 ARG 33 23.355 -9.454 0.848 210 HH12 ARG 33 HH22 ARG 33 24.643 -9.527 -0.307 211 HH21 ARG 33 HH11 ARG 33 26.362 -12.027 1.361 212 HH22 ARG 33 HH12 ARG 33 26.341 -10.978 -0.016 213 H GLN 34 H GLN 34 26.502 -6.915 3.682 214 HA GLN 34 HA GLN 34 27.445 -8.181 6.016 215 HB2 GLN 34 HB3 GLN 34 28.778 -6.028 4.392 216 HB3 GLN 34 HB2 GLN 34 29.575 -7.254 5.370 217 HG2 GLN 34 HG3 GLN 34 28.673 -9.020 3.930 218 HG3 GLN 34 HG2 GLN 34 27.828 -7.820 2.963 219 HE21 GLN 34 HE21 GLN 34 28.932 -7.233 1.110 220 HE22 GLN 34 HE22 GLN 34 30.622 -7.268 0.929 221 H PHE 35 H PHE 35 26.936 -4.732 5.258 222 HA PHE 35 HA PHE 35 27.759 -3.973 7.967 223 HB2 PHE 35 HB3 PHE 35 26.925 -2.397 5.537 224 HB3 PHE 35 HB2 PHE 35 27.155 -1.625 7.101 225 HD1 PHE 35 HD2 PHE 35 29.528 -2.618 8.309 226 HD2 PHE 35 HD1 PHE 35 28.765 -2.154 4.082 227 HE1 PHE 35 HE2 PHE 35 31.951 -2.534 7.862 228 HE2 PHE 35 HE1 PHE 35 31.197 -2.080 3.666 229 HZ PHE 35 HZ PHE 35 32.790 -2.269 5.550 230 H CYS 36 H CYS 36 24.863 -3.593 5.908 231 HA CYS 36 HA CYS 36 23.264 -3.264 8.361 232 HB2 CYS 36 HB3 CYS 36 23.091 -2.166 5.593 233 HB3 CYS 36 HB2 CYS 36 21.577 -2.470 6.432 234 H ARG 37 H ARG 37 22.576 -5.214 8.967 235 HA ARG 37 HA ARG 37 21.860 -7.261 7.025 236 HB2 ARG 37 HB3 ARG 37 21.838 -7.174 10.047 237 HB3 ARG 37 HB2 ARG 37 21.307 -8.573 9.113 238 HG2 ARG 37 HG3 ARG 37 23.510 -8.719 8.039 239 HG3 ARG 37 HG2 ARG 37 24.049 -7.290 8.922 240 HD2 ARG 37 HD3 ARG 37 23.692 -8.472 11.057 241 HD3 ARG 37 HD2 ARG 37 23.152 -9.899 10.179 242 HE ARG 37 HE ARG 37 25.759 -9.050 9.335 243 HH11 ARG 37 HH21 ARG 37 23.979 -10.712 11.795 244 HH12 ARG 37 HH22 ARG 37 25.304 -11.723 12.264 245 HH21 ARG 37 HH11 ARG 37 27.501 -10.376 9.945 246 HH22 ARG 37 HH12 ARG 37 27.297 -11.534 11.217 247 H2 BGC 101 H2 GLC 0 32.113 7.204 -10.923 248 H3 BGC 101 H3 GLC 0 34.550 5.817 -9.660 249 H4 BGC 101 H4 GLC 0 34.445 8.496 -11.152 250 H5 BGC 101 H5 GLC 0 34.859 7.977 -8.129 251 H6C1 BGC 101 H61 GLC 0 35.599 10.092 -7.947 252 H6C2 BGC 101 H62 GLC 0 35.675 10.196 -9.720 253 H1 BGC 101 H1 GLC 0 32.767 6.767 -7.922 254 HB BGC 101 HO2 GLC 0 31.096 5.465 -9.780 255 HC BGC 101 HO3 GLC 0 35.247 5.690 -11.702 256 HD BGC 101 HO4 GLC 0 36.508 8.161 -11.201 257 H6 BGC 101 HO6 GLC 0 34.131 11.524 -8.085 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 26.107 1.622 7.214 2 H2 GLY 1 H2 GLY 1 27.649 1.426 6.529 3 H3 GLY 1 H3 GLY 1 26.261 1.272 5.562 4 HA2 GLY 1 HA3 GLY 1 27.384 3.403 5.212 5 HA3 GLY 1 HA2 GLY 1 25.745 3.591 5.831 6 H LEU 2 H LEU 2 26.829 2.454 8.464 7 HA LEU 2 HA LEU 2 27.293 3.426 10.504 8 HB2 LEU 2 HB3 LEU 2 29.600 4.707 9.028 9 HB3 LEU 2 HB2 LEU 2 29.555 4.157 10.701 10 HG LEU 2 HG LEU 2 28.892 1.848 9.216 11 HD11 LEU 2 HD11 LEU 2 29.721 3.203 7.198 12 HD12 LEU 2 HD12 LEU 2 30.468 1.627 7.450 13 HD13 LEU 2 HD13 LEU 2 31.324 3.094 7.922 14 HD21 LEU 2 HD21 LEU 2 31.523 2.780 10.408 15 HD22 LEU 2 HD22 LEU 2 31.248 1.138 9.826 16 HD23 LEU 2 HD23 LEU 2 30.299 1.766 11.173 17 H GLY 3 H GLY 3 25.801 5.019 8.375 18 HA2 GLY 3 HA3 GLY 3 25.720 7.530 9.878 19 HA3 GLY 3 HA2 GLY 3 26.128 7.648 8.174 20 H LYS 4 H LYS 4 23.820 8.653 9.652 21 HA LYS 4 HA LYS 4 21.508 7.107 9.070 22 HB2 LYS 4 HB3 LYS 4 20.266 9.096 9.681 23 HB3 LYS 4 HB2 LYS 4 21.704 9.110 10.703 24 HG2 LYS 4 HG3 LYS 4 22.798 10.653 9.000 25 HG3 LYS 4 HG2 LYS 4 21.255 10.737 8.172 26 HD2 LYS 4 HD3 LYS 4 20.160 11.635 10.183 27 HD3 LYS 4 HD2 LYS 4 21.680 11.550 11.074 28 HE2 LYS 4 HE3 LYS 4 22.708 13.114 9.456 29 HE3 LYS 4 HE2 LYS 4 21.176 13.213 8.587 30 HZ1 LYS 4 HZ1 LYS 4 21.798 14.945 10.430 31 HZ2 LYS 4 HZ2 LYS 4 21.181 13.750 11.467 32 HZ3 LYS 4 HZ3 LYS 4 20.200 14.406 10.245 33 H ALA 5 H ALA 5 20.416 6.914 7.201 34 HA ALA 5 HA ALA 5 19.746 7.236 5.033 35 HB1 ALA 5 HB1 ALA 5 19.580 9.414 4.215 36 HB2 ALA 5 HB2 ALA 5 21.075 9.934 4.989 37 HB3 ALA 5 HB3 ALA 5 19.622 9.681 5.957 38 H GLN 6 H GLN 6 23.019 7.608 6.048 39 HA GLN 6 HA GLN 6 24.180 7.788 3.509 40 HB2 GLN 6 HB3 GLN 6 25.574 8.354 5.374 41 HB3 GLN 6 HB2 GLN 6 25.176 6.864 6.206 42 HG2 GLN 6 HG3 GLN 6 27.482 7.044 5.090 43 HG3 GLN 6 HG2 GLN 6 26.582 5.556 4.826 44 HE21 GLN 6 HE21 GLN 6 26.676 8.853 3.291 45 HE22 GLN 6 HE22 GLN 6 26.734 8.258 1.702 46 H CYS 7 H CYS 7 23.276 5.255 5.724 47 HA CYS 7 HA CYS 7 24.246 3.067 4.172 48 HB2 CYS 7 HB3 CYS 7 23.494 3.284 6.746 49 HB3 CYS 7 HB2 CYS 7 22.000 2.620 6.088 50 H ALA 8 H ALA 8 20.982 4.369 4.700 51 HA ALA 8 HA ALA 8 19.668 2.572 3.006 52 HB1 ALA 8 HB1 ALA 8 18.311 3.902 4.409 53 HB2 ALA 8 HB2 ALA 8 17.979 4.500 2.784 54 HB3 ALA 8 HB3 ALA 8 19.065 5.393 3.850 55 H ALA 9 H ALA 9 21.009 5.747 2.282 56 HA ALA 9 HA ALA 9 20.268 5.790 -0.439 57 HB1 ALA 9 HB1 ALA 9 22.508 7.199 1.027 58 HB2 ALA 9 HB2 ALA 9 20.901 7.837 0.678 59 HB3 ALA 9 HB3 ALA 9 22.039 7.545 -0.638 60 H LEU 10 H LEU 10 23.013 4.453 1.272 61 HA LEU 10 HA LEU 10 24.671 4.000 -0.964 62 HB2 LEU 10 HB3 LEU 10 25.408 3.927 1.388 63 HB3 LEU 10 HB2 LEU 10 24.437 2.484 1.633 64 HG LEU 10 HG LEU 10 25.775 1.206 0.053 65 HD11 LEU 10 HD11 LEU 10 27.117 3.866 -0.462 66 HD12 LEU 10 HD12 LEU 10 26.468 2.711 -1.631 67 HD13 LEU 10 HD13 LEU 10 27.952 2.342 -0.767 68 HD21 LEU 10 HD21 LEU 10 26.649 1.144 2.265 69 HD22 LEU 10 HD22 LEU 10 27.272 2.786 2.161 70 HD23 LEU 10 HD23 LEU 10 28.047 1.493 1.255 71 H TRP 11 H TRP 11 22.133 2.000 0.578 72 HA TRP 11 HA TRP 11 22.550 -0.140 -1.333 73 HB2 TRP 11 HB3 TRP 11 21.505 -1.261 0.338 74 HB3 TRP 11 HB2 TRP 11 21.108 0.255 1.138 75 HD1 TRP 11 HD1 TRP 11 18.684 1.062 1.037 76 HE1 TRP 11 HE1 TRP 11 16.508 0.148 0.009 77 HE3 TRP 11 HE3 TRP 11 20.630 -2.594 -1.930 78 HZ2 TRP 11 HZ2 TRP 11 15.713 -1.857 -1.887 79 HZ3 TRP 11 HZ3 TRP 11 19.148 -3.977 -3.354 80 HH2 TRP 11 HH2 TRP 11 16.696 -3.611 -3.340 81 H LEU 12 H LEU 12 20.207 2.471 -0.844 82 HA LEU 12 HA LEU 12 18.449 1.771 -2.918 83 HB2 LEU 12 HB3 LEU 12 18.327 3.587 -1.000 84 HB3 LEU 12 HB2 LEU 12 18.953 4.652 -2.246 85 HG LEU 12 HG LEU 12 16.462 2.938 -2.506 86 HD11 LEU 12 HD11 LEU 12 16.873 5.885 -1.950 87 HD12 LEU 12 HD12 LEU 12 16.010 4.711 -0.958 88 HD13 LEU 12 HD13 LEU 12 15.338 5.220 -2.507 89 HD21 LEU 12 HD21 LEU 12 16.206 4.664 -4.510 90 HD22 LEU 12 HD22 LEU 12 17.168 3.205 -4.709 91 HD23 LEU 12 HD23 LEU 12 17.965 4.746 -4.388 92 H GLN 13 H GLN 13 21.306 3.883 -2.901 93 HA GLN 13 HA GLN 13 21.097 4.768 -5.557 94 HB2 GLN 13 HB3 GLN 13 23.435 4.398 -3.686 95 HB3 GLN 13 HB2 GLN 13 23.622 5.058 -5.303 96 HG2 GLN 13 HG3 GLN 13 21.565 6.199 -3.421 97 HG3 GLN 13 HG2 GLN 13 23.245 6.712 -3.328 98 HE21 GLN 13 HE21 GLN 13 22.240 5.795 -6.499 99 HE22 GLN 13 HE22 GLN 13 22.015 7.362 -7.118 100 H CYS 14 H CYS 14 22.568 1.878 -4.144 101 HA CYS 14 HA CYS 14 23.816 0.944 -6.490 102 HB2 CYS 14 HB3 CYS 14 23.826 0.119 -3.908 103 HB3 CYS 14 HB2 CYS 14 22.739 -1.082 -4.589 104 H ALA 15 H ALA 15 20.657 1.504 -6.038 105 HA ALA 15 HA ALA 15 19.411 -0.780 -7.135 106 HB1 ALA 15 HB1 ALA 15 17.511 0.742 -7.521 107 HB2 ALA 15 HB2 ALA 15 18.555 2.111 -7.144 108 HB3 ALA 15 HB3 ALA 15 18.178 0.922 -5.897 109 H SER 16 H SER 16 20.788 2.127 -8.515 110 HA SER 16 HA SER 16 20.196 1.154 -11.231 111 HB2 SER 16 HB3 SER 16 19.468 3.454 -10.706 112 HB3 SER 16 HB2 SER 16 21.135 3.884 -10.335 113 HG SER 16 HG SER 16 20.774 2.625 -12.757 114 H GLY 17 H GLY 17 22.772 1.902 -9.023 115 HA2 GLY 17 HA3 GLY 17 24.819 0.497 -9.469 116 HA3 GLY 17 HA2 GLY 17 24.783 1.186 -11.091 117 H GLY 18 H GLY 18 24.290 2.628 -7.869 118 HA2 GLY 18 HA3 GLY 18 26.688 4.287 -8.245 119 HA3 GLY 18 HA2 GLY 18 25.140 5.089 -8.002 120 H THR 19 H THR 19 27.389 5.322 -6.300 121 HA THR 19 HA THR 19 26.151 4.633 -3.781 122 HB THR 19 HB THR 19 27.304 2.593 -3.933 123 HG1 THR 19 HG1 THR 19 29.202 2.947 -2.545 124 HG21 THR 19 HG21 THR 19 29.641 2.394 -4.768 125 HG22 THR 19 HG22 THR 19 29.680 4.126 -5.071 126 HG23 THR 19 HG23 THR 19 28.583 3.100 -5.991 127 H ILE 20 H ILE 20 26.905 5.880 -2.056 128 HA ILE 20 HA ILE 20 28.054 8.425 -2.747 129 HB ILE 20 HB ILE 20 27.491 7.216 -0.019 130 HG12 ILE 20 HG13 ILE 20 25.784 9.079 -1.695 131 HG13 ILE 20 HG12 ILE 20 25.522 7.340 -1.596 132 HG21 ILE 20 HG21 ILE 20 27.368 9.644 0.627 133 HG22 ILE 20 HG22 ILE 20 27.973 10.052 -0.978 134 HG23 ILE 20 HG23 ILE 20 28.980 9.126 0.135 135 HD11 ILE 20 HD11 ILE 20 24.072 8.599 -0.012 136 HD12 ILE 20 HD12 ILE 20 25.517 9.226 0.781 137 HD13 ILE 20 HD13 ILE 20 25.168 7.497 0.822 138 H GLY 21 H GLY 21 29.147 5.465 -1.165 139 HA2 GLY 21 HA3 GLY 21 31.633 6.458 -0.231 140 HA3 GLY 21 HA2 GLY 21 31.221 4.764 -0.449 141 H CYS 22 H CYS 22 30.533 5.717 -3.349 142 HA CYS 22 HA CYS 22 31.558 5.483 -5.395 143 HB2 CYS 22 HB3 CYS 22 32.285 7.723 -5.017 144 HB3 CYS 22 HB2 CYS 22 33.532 7.195 -3.890 145 H GLY 23 H GLY 23 32.107 3.433 -5.855 146 HA2 GLY 23 HA3 GLY 23 34.631 2.479 -6.092 147 HA3 GLY 23 HA2 GLY 23 34.211 2.040 -4.442 148 H GLY 24 H GLY 24 33.817 1.314 -7.757 149 HA2 GLY 24 HA3 GLY 24 32.594 -0.284 -8.909 150 HA3 GLY 24 HA2 GLY 24 33.082 -1.301 -7.557 151 H GLY 25 H GLY 25 30.621 1.113 -8.469 152 HA2 GLY 25 HA3 GLY 25 28.774 0.804 -6.480 153 HA3 GLY 25 HA2 GLY 25 28.328 1.059 -8.164 154 H ALA 26 H ALA 26 29.780 -1.639 -8.719 155 HA ALA 26 HA ALA 26 27.427 -3.215 -8.702 156 HB1 ALA 26 HB1 ALA 26 30.275 -4.203 -8.908 157 HB2 ALA 26 HB2 ALA 26 29.378 -3.511 -10.260 158 HB3 ALA 26 HB3 ALA 26 28.825 -5.007 -9.507 159 H VAL 27 H VAL 27 30.371 -3.328 -6.786 160 HA VAL 27 HA VAL 27 29.435 -5.360 -5.039 161 HB VAL 27 HB VAL 27 31.426 -4.786 -3.678 162 HG11 VAL 27 HG11 VAL 27 31.674 -5.368 -6.616 163 HG12 VAL 27 HG12 VAL 27 31.780 -6.486 -5.255 164 HG13 VAL 27 HG13 VAL 27 33.091 -5.353 -5.567 165 HG21 VAL 27 HG21 VAL 27 32.405 -2.958 -5.846 166 HG22 VAL 27 HG22 VAL 27 32.894 -3.060 -4.157 167 HG23 VAL 27 HG23 VAL 27 31.370 -2.303 -4.581 168 H ALA 28 H ALA 28 28.960 -1.933 -5.154 169 HA ALA 28 HA ALA 28 28.661 -1.312 -2.431 170 HB1 ALA 28 HB1 ALA 28 28.572 0.510 -3.891 171 HB2 ALA 28 HB2 ALA 28 26.901 0.343 -3.356 172 HB3 ALA 28 HB3 ALA 28 27.386 -0.269 -4.923 173 H CYS 29 H CYS 29 26.475 -3.034 -4.603 174 HA CYS 29 HA CYS 29 24.188 -2.857 -2.974 175 HB2 CYS 29 HB3 CYS 29 25.081 -5.048 -4.845 176 HB3 CYS 29 HB2 CYS 29 23.486 -4.914 -4.134 177 H GLN 30 H GLN 30 26.649 -5.417 -3.228 178 HA GLN 30 HA GLN 30 25.484 -6.939 -1.113 179 HB2 GLN 30 HB3 GLN 30 27.634 -8.243 -1.166 180 HB3 GLN 30 HB2 GLN 30 26.812 -8.138 -2.718 181 HG2 GLN 30 HG3 GLN 30 29.094 -7.695 -3.184 182 HG3 GLN 30 HG2 GLN 30 28.287 -6.141 -3.214 183 HE21 GLN 30 HE21 GLN 30 28.929 -7.731 -0.121 184 HE22 GLN 30 HE22 GLN 30 30.155 -6.670 0.372 185 H ASN 31 H ASN 31 27.998 -4.503 -1.241 186 HA ASN 31 HA ASN 31 29.240 -4.830 1.177 187 HB2 ASN 31 HB3 ASN 31 28.439 -2.367 -0.371 188 HB3 ASN 31 HB2 ASN 31 29.299 -2.272 1.152 189 HD21 ASN 31 HD21 ASN 31 29.896 -2.786 -2.225 190 HD22 ASN 31 HD22 ASN 31 31.494 -3.354 -2.073 191 H TYR 32 H TYR 32 26.039 -3.648 0.509 192 HA TYR 32 HA TYR 32 25.410 -2.488 2.981 193 HB2 TYR 32 HB3 TYR 32 23.978 -2.140 1.073 194 HB3 TYR 32 HB2 TYR 32 23.640 -3.869 0.966 195 HD1 TYR 32 HD2 TYR 32 22.457 -5.005 2.845 196 HD2 TYR 32 HD1 TYR 32 22.754 -0.740 2.594 197 HE1 TYR 32 HE2 TYR 32 20.640 -4.814 4.455 198 HE2 TYR 32 HE1 TYR 32 20.903 -0.523 4.218 199 HH TYR 32 HH TYR 32 19.674 -1.676 5.787 200 H ARG 33 H ARG 33 24.915 -5.868 1.905 201 HA ARG 33 HA ARG 33 23.654 -6.745 4.260 202 HB2 ARG 33 HB3 ARG 33 24.713 -7.942 1.860 203 HB3 ARG 33 HB2 ARG 33 25.291 -8.885 3.229 204 HG2 ARG 33 HG3 ARG 33 23.175 -9.802 2.452 205 HG3 ARG 33 HG2 ARG 33 22.963 -9.105 4.057 206 HD2 ARG 33 HD3 ARG 33 21.240 -8.562 2.034 207 HD3 ARG 33 HD2 ARG 33 21.623 -7.362 3.274 208 HE ARG 33 HE ARG 33 22.895 -6.182 1.699 209 HH11 ARG 33 HH21 ARG 33 21.868 -9.246 0.480 210 HH12 ARG 33 HH22 ARG 33 22.298 -8.885 -1.158 211 HH21 ARG 33 HH11 ARG 33 23.471 -5.702 -0.414 212 HH22 ARG 33 HH12 ARG 33 23.205 -6.870 -1.669 213 H GLN 34 H GLN 34 27.044 -6.514 3.350 214 HA GLN 34 HA GLN 34 28.119 -7.770 5.670 215 HB2 GLN 34 HB3 GLN 34 29.693 -5.622 4.332 216 HB3 GLN 34 HB2 GLN 34 30.185 -7.253 4.776 217 HG2 GLN 34 HG3 GLN 34 28.435 -6.458 2.461 218 HG3 GLN 34 HG2 GLN 34 30.069 -7.086 2.360 219 HE21 GLN 34 HE21 GLN 34 27.093 -8.051 1.675 220 HE22 GLN 34 HE22 GLN 34 27.151 -9.686 2.148 221 H PHE 35 H PHE 35 27.472 -4.346 4.906 222 HA PHE 35 HA PHE 35 28.459 -3.534 7.542 223 HB2 PHE 35 HB3 PHE 35 27.394 -2.019 5.164 224 HB3 PHE 35 HB2 PHE 35 27.667 -1.222 6.708 225 HD1 PHE 35 HD1 PHE 35 30.121 -1.989 7.809 226 HD2 PHE 35 HD2 PHE 35 29.160 -1.800 3.602 227 HE1 PHE 35 HE1 PHE 35 32.516 -1.775 7.255 228 HE2 PHE 35 HE2 PHE 35 31.561 -1.600 3.077 229 HZ PHE 35 HZ PHE 35 33.241 -1.584 4.895 230 H CYS 36 H CYS 36 25.396 -3.208 5.718 231 HA CYS 36 HA CYS 36 24.007 -2.972 8.300 232 HB2 CYS 36 HB3 CYS 36 23.529 -1.895 5.557 233 HB3 CYS 36 HB2 CYS 36 22.123 -2.230 6.560 234 H ARG 37 H ARG 37 23.447 -4.945 8.959 235 HA ARG 37 HA ARG 37 22.680 -7.032 7.099 236 HB2 ARG 37 HB3 ARG 37 23.944 -7.529 9.179 237 HB3 ARG 37 HB2 ARG 37 22.555 -6.994 10.125 238 HG2 ARG 37 HG3 ARG 37 21.159 -8.740 9.097 239 HG3 ARG 37 HG2 ARG 37 22.523 -9.262 8.109 240 HD2 ARG 37 HD3 ARG 37 23.796 -9.717 10.225 241 HD3 ARG 37 HD2 ARG 37 22.330 -9.356 11.130 242 HE ARG 37 HE ARG 37 21.722 -11.306 9.188 243 HH11 ARG 37 HH21 ARG 37 23.576 -10.859 12.075 244 HH12 ARG 37 HH22 ARG 37 23.469 -12.517 12.565 245 HH21 ARG 37 HH11 ARG 37 21.576 -13.481 9.824 246 HH22 ARG 37 HH12 ARG 37 22.335 -14.001 11.291 247 H2 BGC 101 H2 GLC 0 35.928 6.544 -7.775 248 H3 BGC 101 H3 GLC 0 36.752 4.182 -5.986 249 H4 BGC 101 H4 GLC 0 38.209 6.849 -6.410 250 H5 BGC 101 H5 GLC 0 36.674 5.856 -3.914 251 H6C1 BGC 101 H61 GLC 0 37.689 7.481 -2.739 252 H6C2 BGC 101 H62 GLC 0 38.788 7.756 -4.109 253 H1 BGC 101 H1 GLC 0 34.614 5.536 -5.153 254 HB BGC 101 HO2 GLC 0 34.037 5.213 -7.891 255 HC BGC 101 HO3 GLC 0 38.429 4.037 -7.343 256 HD BGC 101 HO4 GLC 0 39.760 5.749 -5.542 257 H6 BGC 101 HO6 GLC 0 36.991 9.375 -3.123 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 29.602 4.599 6.378 2 H2 GLY 1 H2 GLY 1 28.452 5.849 6.360 3 H3 GLY 1 H3 GLY 1 28.816 5.005 4.932 4 HA2 GLY 1 HA3 GLY 1 26.751 4.174 5.690 5 HA3 GLY 1 HA2 GLY 1 27.970 2.943 6.024 6 H LEU 2 H LEU 2 25.983 2.506 7.558 7 HA LEU 2 HA LEU 2 25.198 2.370 9.715 8 HB2 LEU 2 HB3 LEU 2 27.889 3.561 10.447 9 HB3 LEU 2 HB2 LEU 2 26.844 2.606 11.494 10 HG LEU 2 HG LEU 2 28.057 1.577 8.910 11 HD11 LEU 2 HD11 LEU 2 28.980 1.355 11.783 12 HD12 LEU 2 HD12 LEU 2 29.882 1.977 10.400 13 HD13 LEU 2 HD13 LEU 2 29.522 0.254 10.517 14 HD21 LEU 2 HD21 LEU 2 27.498 -0.650 10.147 15 HD22 LEU 2 HD22 LEU 2 26.175 0.230 9.395 16 HD23 LEU 2 HD23 LEU 2 26.427 0.339 11.138 17 H GLY 3 H GLY 3 25.736 5.184 8.158 18 HA2 GLY 3 HA3 GLY 3 24.918 6.955 10.364 19 HA3 GLY 3 HA2 GLY 3 25.533 7.471 8.803 20 H LYS 4 H LYS 4 23.246 8.579 9.825 21 HA LYS 4 HA LYS 4 20.853 7.291 8.987 22 HB2 LYS 4 HB3 LYS 4 19.793 9.427 9.403 23 HB3 LYS 4 HB2 LYS 4 21.102 9.329 10.581 24 HG2 LYS 4 HG3 LYS 4 22.548 10.655 8.955 25 HG3 LYS 4 HG2 LYS 4 21.120 10.884 7.969 26 HD2 LYS 4 HD3 LYS 4 19.943 11.987 9.810 27 HD3 LYS 4 HD2 LYS 4 21.338 11.759 10.864 28 HE2 LYS 4 HE3 LYS 4 21.658 13.943 10.079 29 HE3 LYS 4 HE2 LYS 4 22.652 13.002 8.967 30 HZ1 LYS 4 HZ1 LYS 4 20.958 14.720 8.058 31 HZ2 LYS 4 HZ2 LYS 4 19.826 13.481 8.325 32 HZ3 LYS 4 HZ3 LYS 4 21.141 13.223 7.281 33 H ALA 5 H ALA 5 20.036 7.123 6.983 34 HA ALA 5 HA ALA 5 19.687 7.429 4.735 35 HB1 ALA 5 HB1 ALA 5 21.276 9.980 4.794 36 HB2 ALA 5 HB2 ALA 5 19.693 9.916 5.567 37 HB3 ALA 5 HB3 ALA 5 19.845 9.579 3.844 38 H GLN 6 H GLN 6 22.824 7.640 6.175 39 HA GLN 6 HA GLN 6 24.307 7.488 3.802 40 HB2 GLN 6 HB3 GLN 6 24.880 6.839 6.678 41 HB3 GLN 6 HB2 GLN 6 26.061 6.544 5.436 42 HG2 GLN 6 HG3 GLN 6 24.760 9.237 5.911 43 HG3 GLN 6 HG2 GLN 6 26.337 8.785 6.579 44 HE21 GLN 6 HE21 GLN 6 25.107 10.568 4.121 45 HE22 GLN 6 HE22 GLN 6 26.281 10.297 2.927 46 H CYS 7 H CYS 7 23.024 5.226 6.120 47 HA CYS 7 HA CYS 7 24.034 2.872 4.844 48 HB2 CYS 7 HB3 CYS 7 23.176 3.203 7.287 49 HB3 CYS 7 HB2 CYS 7 21.590 2.863 6.594 50 H ALA 8 H ALA 8 20.795 4.355 4.950 51 HA ALA 8 HA ALA 8 19.592 2.507 3.210 52 HB1 ALA 8 HB1 ALA 8 18.176 3.933 4.484 53 HB2 ALA 8 HB2 ALA 8 17.949 4.411 2.801 54 HB3 ALA 8 HB3 ALA 8 18.971 5.382 3.867 55 H ALA 9 H ALA 9 21.128 5.602 2.545 56 HA ALA 9 HA ALA 9 20.608 5.605 -0.234 57 HB1 ALA 9 HB1 ALA 9 22.291 7.346 -0.382 58 HB2 ALA 9 HB2 ALA 9 22.904 6.937 1.218 59 HB3 ALA 9 HB3 ALA 9 21.287 7.623 1.038 60 H LEU 10 H LEU 10 23.113 4.164 1.744 61 HA LEU 10 HA LEU 10 24.967 3.615 -0.306 62 HB2 LEU 10 HB3 LEU 10 25.435 3.489 2.104 63 HB3 LEU 10 HB2 LEU 10 24.359 2.112 2.240 64 HG LEU 10 HG LEU 10 25.789 0.741 0.841 65 HD11 LEU 10 HD11 LEU 10 26.735 2.181 -0.778 66 HD12 LEU 10 HD12 LEU 10 28.103 1.767 0.248 67 HD13 LEU 10 HD13 LEU 10 27.301 3.327 0.435 68 HD21 LEU 10 HD21 LEU 10 27.898 0.873 2.272 69 HD22 LEU 10 HD22 LEU 10 26.390 0.747 3.170 70 HD23 LEU 10 HD23 LEU 10 27.201 2.299 3.025 71 H TRP 11 H TRP 11 22.133 1.727 0.884 72 HA TRP 11 HA TRP 11 22.683 -0.408 -1.001 73 HB2 TRP 11 HB3 TRP 11 21.252 -1.478 0.399 74 HB3 TRP 11 HB2 TRP 11 20.917 0.040 1.218 75 HD1 TRP 11 HD1 TRP 11 18.681 1.229 0.724 76 HE1 TRP 11 HE1 TRP 11 16.561 0.590 -0.585 77 HE3 TRP 11 HE3 TRP 11 20.469 -2.769 -1.890 78 HZ2 TRP 11 HZ2 TRP 11 15.752 -1.348 -2.536 79 HZ3 TRP 11 HZ3 TRP 11 19.011 -3.983 -3.476 80 HH2 TRP 11 HH2 TRP 11 16.658 -3.277 -3.806 81 H LEU 12 H LEU 12 20.444 2.334 -0.852 82 HA LEU 12 HA LEU 12 19.068 1.793 -3.232 83 HB2 LEU 12 HB3 LEU 12 18.724 3.553 -1.253 84 HB3 LEU 12 HB2 LEU 12 19.528 4.625 -2.380 85 HG LEU 12 HG LEU 12 17.157 4.840 -2.745 86 HD11 LEU 12 HD11 LEU 12 18.029 3.035 -4.993 87 HD12 LEU 12 HD12 LEU 12 18.792 4.604 -4.741 88 HD13 LEU 12 HD13 LEU 12 17.064 4.505 -5.067 89 HD21 LEU 12 HD21 LEU 12 16.717 1.997 -3.564 90 HD22 LEU 12 HD22 LEU 12 15.626 3.128 -2.775 91 HD23 LEU 12 HD23 LEU 12 16.856 2.300 -1.832 92 H GLN 13 H GLN 13 21.966 3.713 -2.601 93 HA GLN 13 HA GLN 13 22.318 4.779 -5.173 94 HB2 GLN 13 HB3 GLN 13 24.191 4.127 -2.914 95 HB3 GLN 13 HB2 GLN 13 24.778 4.818 -4.414 96 HG2 GLN 13 HG3 GLN 13 22.474 6.083 -2.944 97 HG3 GLN 13 HG2 GLN 13 24.135 6.439 -2.489 98 HE21 GLN 13 HE21 GLN 13 23.934 5.704 -5.801 99 HE22 GLN 13 HE22 GLN 13 23.890 7.294 -6.401 100 H CYS 14 H CYS 14 23.095 1.654 -3.785 101 HA CYS 14 HA CYS 14 24.832 0.753 -5.826 102 HB2 CYS 14 HB3 CYS 14 23.977 -0.276 -3.451 103 HB3 CYS 14 HB2 CYS 14 23.047 -1.261 -4.574 104 H ALA 15 H ALA 15 21.548 1.417 -5.878 105 HA ALA 15 HA ALA 15 20.762 -0.453 -7.870 106 HB1 ALA 15 HB1 ALA 15 19.349 0.920 -6.201 107 HB2 ALA 15 HB2 ALA 15 18.713 0.681 -7.832 108 HB3 ALA 15 HB3 ALA 15 19.472 2.213 -7.393 109 H SER 16 H SER 16 21.858 2.898 -7.914 110 HA SER 16 HA SER 16 22.061 2.787 -10.862 111 HB2 SER 16 HB3 SER 16 20.574 4.556 -10.017 112 HB3 SER 16 HB2 SER 16 21.902 5.206 -9.061 113 HG SER 16 HG SER 16 23.019 5.607 -10.975 114 H GLY 17 H GLY 17 23.734 3.565 -7.918 115 HA2 GLY 17 HA3 GLY 17 26.322 3.522 -9.339 116 HA3 GLY 17 HA2 GLY 17 25.945 4.834 -8.230 117 H GLY 18 H GLY 18 25.630 4.304 -5.936 118 HA2 GLY 18 HA3 GLY 18 25.736 2.194 -4.383 119 HA3 GLY 18 HA2 GLY 18 27.319 2.013 -5.125 120 H THR 19 H THR 19 28.895 3.681 -4.783 121 HA THR 19 HA THR 19 28.767 4.769 -2.085 122 HB THR 19 HB THR 19 31.096 5.029 -2.235 123 HG1 THR 19 HG1 THR 19 30.883 4.936 -5.062 124 HG21 THR 19 HG21 THR 19 30.556 2.860 -4.298 125 HG22 THR 19 HG22 THR 19 30.311 2.625 -2.568 126 HG23 THR 19 HG23 THR 19 31.929 2.957 -3.193 127 H ILE 20 H ILE 20 27.163 5.995 -4.334 128 HA ILE 20 HA ILE 20 26.455 8.011 -5.020 129 HB ILE 20 HB ILE 20 28.251 9.005 -2.801 130 HG12 ILE 20 HG13 ILE 20 25.274 8.469 -2.765 131 HG13 ILE 20 HG12 ILE 20 26.459 7.302 -2.194 132 HG21 ILE 20 HG21 ILE 20 27.657 10.827 -4.264 133 HG22 ILE 20 HG22 ILE 20 26.597 10.929 -2.859 134 HG23 ILE 20 HG23 ILE 20 25.992 10.262 -4.377 135 HD11 ILE 20 HD11 ILE 20 26.033 10.102 -1.110 136 HD12 ILE 20 HD12 ILE 20 27.336 9.022 -0.610 137 HD13 ILE 20 HD13 ILE 20 25.655 8.585 -0.289 138 H GLY 21 H GLY 21 29.838 7.312 -4.817 139 HA2 GLY 21 HA3 GLY 21 30.545 9.479 -6.636 140 HA3 GLY 21 HA2 GLY 21 31.667 8.378 -5.851 141 H CYS 22 H CYS 22 29.169 6.548 -7.038 142 HA CYS 22 HA CYS 22 29.125 4.951 -8.699 143 HB2 CYS 22 HB3 CYS 22 28.149 6.732 -9.946 144 HB3 CYS 22 HB2 CYS 22 29.713 7.502 -10.198 145 H GLY 23 H GLY 23 30.748 3.490 -8.408 146 HA2 GLY 23 HA3 GLY 23 32.784 3.200 -10.253 147 HA3 GLY 23 HA2 GLY 23 33.510 4.044 -8.895 148 H GLY 24 H GLY 24 32.257 1.058 -10.061 149 HA2 GLY 24 HA3 GLY 24 32.551 -1.110 -9.320 150 HA3 GLY 24 HA2 GLY 24 33.661 -0.478 -8.107 151 H GLY 25 H GLY 25 30.566 0.974 -8.157 152 HA2 GLY 25 HA3 GLY 25 29.965 0.262 -5.507 153 HA3 GLY 25 HA2 GLY 25 28.828 0.957 -6.650 154 H ALA 26 H ALA 26 30.067 -1.799 -8.034 155 HA ALA 26 HA ALA 26 27.638 -3.195 -7.911 156 HB1 ALA 26 HB1 ALA 26 29.223 -3.611 -9.694 157 HB2 ALA 26 HB2 ALA 26 28.954 -5.113 -8.811 158 HB3 ALA 26 HB3 ALA 26 30.426 -4.180 -8.537 159 H VAL 27 H VAL 27 30.667 -3.617 -6.164 160 HA VAL 27 HA VAL 27 29.772 -5.812 -4.554 161 HB VAL 27 HB VAL 27 32.166 -5.319 -5.104 162 HG11 VAL 27 HG11 VAL 27 31.875 -3.140 -3.020 163 HG12 VAL 27 HG12 VAL 27 31.992 -2.852 -4.753 164 HG13 VAL 27 HG13 VAL 27 33.343 -3.582 -3.890 165 HG21 VAL 27 HG21 VAL 27 31.557 -6.799 -3.196 166 HG22 VAL 27 HG22 VAL 27 31.547 -5.391 -2.136 167 HG23 VAL 27 HG23 VAL 27 33.048 -5.910 -2.892 168 H ALA 28 H ALA 28 29.363 -2.374 -4.333 169 HA ALA 28 HA ALA 28 29.108 -2.088 -1.539 170 HB1 ALA 28 HB1 ALA 28 27.253 -0.311 -2.710 171 HB2 ALA 28 HB2 ALA 28 28.523 -0.527 -3.898 172 HB3 ALA 28 HB3 ALA 28 28.930 0.038 -2.296 173 H CYS 29 H CYS 29 26.936 -3.440 -3.936 174 HA CYS 29 HA CYS 29 24.524 -3.251 -2.540 175 HB2 CYS 29 HB3 CYS 29 25.487 -5.513 -4.294 176 HB3 CYS 29 HB2 CYS 29 23.835 -5.216 -3.806 177 H GLN 30 H GLN 30 26.920 -5.892 -2.620 178 HA GLN 30 HA GLN 30 25.461 -7.421 -0.713 179 HB2 GLN 30 HB3 GLN 30 27.669 -8.739 -0.456 180 HB3 GLN 30 HB2 GLN 30 26.857 -8.775 -2.011 181 HG2 GLN 30 HG3 GLN 30 29.025 -8.340 -2.697 182 HG3 GLN 30 HG2 GLN 30 28.435 -6.707 -2.522 183 HE21 GLN 30 HE21 GLN 30 30.275 -9.246 -0.797 184 HE22 GLN 30 HE22 GLN 30 31.160 -8.171 0.174 185 H ASN 31 H ASN 31 27.979 -5.037 -0.416 186 HA ASN 31 HA ASN 31 28.859 -5.460 2.172 187 HB2 ASN 31 HB3 ASN 31 28.417 -2.933 0.559 188 HB3 ASN 31 HB2 ASN 31 29.074 -2.920 2.177 189 HD21 ASN 31 HD21 ASN 31 29.979 -3.621 -1.132 190 HD22 ASN 31 HD22 ASN 31 31.540 -4.205 -0.782 191 H TYR 32 H TYR 32 25.874 -4.077 1.039 192 HA TYR 32 HA TYR 32 24.956 -2.895 3.392 193 HB2 TYR 32 HB3 TYR 32 23.796 -2.465 1.354 194 HB3 TYR 32 HB2 TYR 32 23.479 -4.184 1.117 195 HD1 TYR 32 HD2 TYR 32 22.005 -5.405 2.625 196 HD2 TYR 32 HD1 TYR 32 22.381 -1.139 2.823 197 HE1 TYR 32 HE2 TYR 32 19.949 -5.307 3.947 198 HE2 TYR 32 HE1 TYR 32 20.304 -1.011 4.147 199 HH TYR 32 HH TYR 32 18.752 -3.889 5.409 200 H ARG 33 H ARG 33 24.541 -6.267 2.306 201 HA ARG 33 HA ARG 33 22.945 -7.032 4.508 202 HB2 ARG 33 HB3 ARG 33 23.401 -8.311 2.314 203 HB3 ARG 33 HB2 ARG 33 24.883 -8.874 3.108 204 HG2 ARG 33 HG3 ARG 33 23.213 -10.558 3.482 205 HG3 ARG 33 HG2 ARG 33 23.478 -9.725 5.008 206 HD2 ARG 33 HD3 ARG 33 21.372 -8.566 4.857 207 HD3 ARG 33 HD2 ARG 33 21.197 -8.941 3.139 208 HE ARG 33 HE ARG 33 20.259 -10.943 3.785 209 HH11 ARG 33 HH21 ARG 33 22.222 -9.613 6.296 210 HH12 ARG 33 HH22 ARG 33 21.827 -10.844 7.451 211 HH21 ARG 33 HH11 ARG 33 19.727 -12.563 5.285 212 HH22 ARG 33 HH12 ARG 33 20.411 -12.521 6.875 213 H GLN 34 H GLN 34 26.382 -7.081 3.913 214 HA GLN 34 HA GLN 34 27.233 -8.427 6.236 215 HB2 GLN 34 HB3 GLN 34 28.653 -6.267 4.704 216 HB3 GLN 34 HB2 GLN 34 29.400 -7.533 5.665 217 HG2 GLN 34 HG3 GLN 34 28.508 -9.243 4.148 218 HG3 GLN 34 HG2 GLN 34 27.704 -7.997 3.200 219 HE21 GLN 34 HE21 GLN 34 28.851 -7.506 1.351 220 HE22 GLN 34 HE22 GLN 34 30.547 -7.508 1.220 221 H PHE 35 H PHE 35 26.765 -4.961 5.569 222 HA PHE 35 HA PHE 35 27.546 -4.283 8.315 223 HB2 PHE 35 HB3 PHE 35 26.804 -2.620 5.910 224 HB3 PHE 35 HB2 PHE 35 27.035 -1.908 7.501 225 HD1 PHE 35 HD2 PHE 35 29.351 -2.975 8.713 226 HD2 PHE 35 HD1 PHE 35 28.677 -2.429 4.484 227 HE1 PHE 35 HE2 PHE 35 31.781 -2.959 8.313 228 HE2 PHE 35 HE1 PHE 35 31.112 -2.423 4.109 229 HZ PHE 35 HZ PHE 35 32.669 -2.683 6.017 230 H CYS 36 H CYS 36 24.735 -3.807 6.170 231 HA CYS 36 HA CYS 36 23.065 -3.450 8.564 232 HB2 CYS 36 HB3 CYS 36 22.961 -2.446 5.754 233 HB3 CYS 36 HB2 CYS 36 21.432 -2.699 6.583 234 H ARG 37 H ARG 37 22.349 -5.395 9.201 235 HA ARG 37 HA ARG 37 21.738 -7.508 7.321 236 HB2 ARG 37 HB3 ARG 37 21.420 -7.260 10.316 237 HB3 ARG 37 HB2 ARG 37 20.936 -8.694 9.411 238 HG2 ARG 37 HG3 ARG 37 23.229 -8.955 8.564 239 HG3 ARG 37 HG2 ARG 37 23.725 -7.501 9.430 240 HD2 ARG 37 HD3 ARG 37 23.139 -8.562 11.572 241 HD3 ARG 37 HD2 ARG 37 22.609 -10.009 10.719 242 HE ARG 37 HE ARG 37 25.249 -9.519 9.940 243 HH11 ARG 37 HH21 ARG 37 23.442 -10.239 12.804 244 HH12 ARG 37 HH22 ARG 37 24.737 -11.097 13.570 245 HH21 ARG 37 HH11 ARG 37 26.950 -10.645 10.940 246 HH22 ARG 37 HH12 ARG 37 26.722 -11.327 12.516 247 H2 BGC 101 H2 GLC 0 29.947 4.528 -13.713 248 H3 BGC 101 H3 GLC 0 32.821 4.620 -12.619 249 H4 BGC 101 H4 GLC 0 31.632 6.175 -14.981 250 H5 BGC 101 H5 GLC 0 32.468 7.227 -12.194 251 H6C1 BGC 101 H61 GLC 0 32.413 9.305 -13.048 252 H6C2 BGC 101 H62 GLC 0 32.292 8.609 -14.679 253 H1 BGC 101 H1 GLC 0 30.975 5.707 -11.034 254 HB BGC 101 HO2 GLC 0 29.726 3.291 -11.768 255 HC BGC 101 HO3 GLC 0 33.336 3.781 -14.544 256 HD BGC 101 HO4 GLC 0 33.665 6.453 -15.381 257 H6 BGC 101 HO6 GLC 0 30.524 10.037 -13.392 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 27.469 2.278 5.730 2 H2 GLY 1 H2 GLY 1 27.386 3.408 4.463 3 H3 GLY 1 H3 GLY 1 26.208 3.412 5.688 4 HA2 GLY 1 HA3 GLY 1 29.076 3.889 6.245 5 HA3 GLY 1 HA2 GLY 1 27.958 5.195 5.851 6 H LEU 2 H LEU 2 26.289 2.721 7.340 7 HA LEU 2 HA LEU 2 25.295 2.501 9.398 8 HB2 LEU 2 HB3 LEU 2 27.880 3.693 10.442 9 HB3 LEU 2 HB2 LEU 2 26.757 2.667 11.332 10 HG LEU 2 HG LEU 2 28.269 1.801 8.847 11 HD11 LEU 2 HD11 LEU 2 28.788 1.265 11.787 12 HD12 LEU 2 HD12 LEU 2 29.823 2.179 10.689 13 HD13 LEU 2 HD13 LEU 2 29.609 0.444 10.460 14 HD21 LEU 2 HD21 LEU 2 26.360 0.418 8.998 15 HD22 LEU 2 HD22 LEU 2 26.370 0.435 10.763 16 HD23 LEU 2 HD23 LEU 2 27.578 -0.500 9.879 17 H GLY 3 H GLY 3 25.939 5.390 8.021 18 HA2 GLY 3 HA3 GLY 3 24.966 7.083 10.201 19 HA3 GLY 3 HA2 GLY 3 25.544 7.628 8.633 20 H LYS 4 H LYS 4 23.239 8.623 9.701 21 HA LYS 4 HA LYS 4 20.878 7.257 8.919 22 HB2 LYS 4 HB3 LYS 4 19.760 9.364 9.345 23 HB3 LYS 4 HB2 LYS 4 21.084 9.281 10.508 24 HG2 LYS 4 HG3 LYS 4 22.483 10.657 8.879 25 HG3 LYS 4 HG2 LYS 4 21.039 10.864 7.909 26 HD2 LYS 4 HD3 LYS 4 19.869 11.907 9.827 27 HD3 LYS 4 HD2 LYS 4 21.331 11.754 10.801 28 HE2 LYS 4 HE3 LYS 4 21.059 13.347 8.230 29 HE3 LYS 4 HE2 LYS 4 21.200 14.011 9.858 30 HZ1 LYS 4 HZ1 LYS 4 23.234 12.391 8.428 31 HZ2 LYS 4 HZ2 LYS 4 23.366 12.897 10.044 32 HZ3 LYS 4 HZ3 LYS 4 23.333 14.044 8.792 33 H ALA 5 H ALA 5 20.009 7.024 6.975 34 HA ALA 5 HA ALA 5 19.533 7.280 4.738 35 HB1 ALA 5 HB1 ALA 5 21.028 9.887 4.722 36 HB2 ALA 5 HB2 ALA 5 19.460 9.764 5.516 37 HB3 ALA 5 HB3 ALA 5 19.608 9.411 3.795 38 H GLN 6 H GLN 6 22.701 7.612 6.037 39 HA GLN 6 HA GLN 6 24.098 7.510 3.605 40 HB2 GLN 6 HB3 GLN 6 24.806 6.923 6.465 41 HB3 GLN 6 HB2 GLN 6 25.950 6.658 5.172 42 HG2 GLN 6 HG3 GLN 6 24.545 9.292 5.655 43 HG3 GLN 6 HG2 GLN 6 26.158 8.926 6.281 44 HE21 GLN 6 HE21 GLN 6 24.790 10.631 3.847 45 HE22 GLN 6 HE22 GLN 6 25.938 10.396 2.619 46 H CYS 7 H CYS 7 22.978 5.188 5.974 47 HA CYS 7 HA CYS 7 24.066 2.896 4.649 48 HB2 CYS 7 HB3 CYS 7 23.120 3.259 7.133 49 HB3 CYS 7 HB2 CYS 7 21.671 2.569 6.402 50 H ALA 8 H ALA 8 20.782 4.263 4.811 51 HA ALA 8 HA ALA 8 19.602 2.357 3.109 52 HB1 ALA 8 HB1 ALA 8 17.939 4.292 2.708 53 HB2 ALA 8 HB2 ALA 8 18.945 5.191 3.849 54 HB3 ALA 8 HB3 ALA 8 18.137 3.707 4.360 55 H ALA 9 H ALA 9 21.004 5.509 2.413 56 HA ALA 9 HA ALA 9 20.464 5.479 -0.359 57 HB1 ALA 9 HB1 ALA 9 22.721 6.893 1.067 58 HB2 ALA 9 HB2 ALA 9 21.077 7.515 0.920 59 HB3 ALA 9 HB3 ALA 9 22.065 7.284 -0.522 60 H LEU 10 H LEU 10 23.023 4.113 1.604 61 HA LEU 10 HA LEU 10 24.885 3.633 -0.467 62 HB2 LEU 10 HB3 LEU 10 25.383 3.469 1.954 63 HB3 LEU 10 HB2 LEU 10 24.348 2.052 2.050 64 HG LEU 10 HG LEU 10 25.795 0.788 0.558 65 HD11 LEU 10 HD11 LEU 10 27.202 3.435 0.247 66 HD12 LEU 10 HD12 LEU 10 26.682 2.300 -0.997 67 HD13 LEU 10 HD13 LEU 10 28.077 1.923 0.010 68 HD21 LEU 10 HD21 LEU 10 27.284 2.276 2.736 69 HD22 LEU 10 HD22 LEU 10 27.846 0.789 1.981 70 HD23 LEU 10 HD23 LEU 10 26.359 0.793 2.927 71 H TRP 11 H TRP 11 22.186 1.627 0.807 72 HA TRP 11 HA TRP 11 22.744 -0.446 -1.138 73 HB2 TRP 11 HB3 TRP 11 21.475 -1.604 0.333 74 HB3 TRP 11 HB2 TRP 11 21.104 -0.112 1.192 75 HD1 TRP 11 HD1 TRP 11 18.798 1.016 0.765 76 HE1 TRP 11 HE1 TRP 11 16.648 0.244 -0.411 77 HE3 TRP 11 HE3 TRP 11 20.622 -2.997 -1.786 78 HZ2 TRP 11 HZ2 TRP 11 15.819 -1.815 -2.228 79 HZ3 TRP 11 HZ3 TRP 11 19.139 -4.354 -3.227 80 HH2 TRP 11 HH2 TRP 11 16.738 -3.769 -3.455 81 H LEU 12 H LEU 12 20.396 2.184 -0.809 82 HA LEU 12 HA LEU 12 18.858 1.589 -3.085 83 HB2 LEU 12 HB3 LEU 12 18.466 3.268 -1.111 84 HB3 LEU 12 HB2 LEU 12 19.318 4.410 -2.138 85 HG LEU 12 HG LEU 12 17.608 3.476 -3.987 86 HD11 LEU 12 HD11 LEU 12 15.484 2.846 -3.132 87 HD12 LEU 12 HD12 LEU 12 15.908 3.324 -1.489 88 HD13 LEU 12 HD13 LEU 12 16.634 1.885 -2.205 89 HD21 LEU 12 HD21 LEU 12 16.104 5.362 -3.438 90 HD22 LEU 12 HD22 LEU 12 17.801 5.829 -3.311 91 HD23 LEU 12 HD23 LEU 12 16.864 5.499 -1.853 92 H GLN 13 H GLN 13 21.699 3.670 -2.681 93 HA GLN 13 HA GLN 13 21.704 4.756 -5.266 94 HB2 GLN 13 HB3 GLN 13 23.918 4.201 -3.296 95 HB3 GLN 13 HB2 GLN 13 24.179 5.019 -4.832 96 HG2 GLN 13 HG3 GLN 13 22.005 5.995 -3.006 97 HG3 GLN 13 HG2 GLN 13 23.674 6.442 -2.675 98 HE21 GLN 13 HE21 GLN 13 22.937 5.900 -6.007 99 HE22 GLN 13 HE22 GLN 13 22.845 7.532 -6.474 100 H CYS 14 H CYS 14 23.026 1.752 -3.957 101 HA CYS 14 HA CYS 14 24.583 0.917 -6.052 102 HB2 CYS 14 HB3 CYS 14 23.730 -0.277 -3.766 103 HB3 CYS 14 HB2 CYS 14 22.807 -1.191 -4.953 104 H ALA 15 H ALA 15 21.108 0.908 -5.859 105 HA ALA 15 HA ALA 15 20.675 -0.499 -8.297 106 HB1 ALA 15 HB1 ALA 15 18.762 1.484 -7.110 107 HB2 ALA 15 HB2 ALA 15 19.075 -0.052 -6.313 108 HB3 ALA 15 HB3 ALA 15 18.410 -0.031 -7.946 109 H SER 16 H SER 16 20.952 2.892 -7.411 110 HA SER 16 HA SER 16 20.182 3.939 -9.926 111 HB2 SER 16 HB3 SER 16 20.126 5.283 -7.871 112 HB3 SER 16 HB2 SER 16 21.882 5.194 -7.770 113 HG SER 16 HG SER 16 21.148 5.983 -10.222 114 H GLY 17 H GLY 17 23.233 2.942 -8.565 115 HA2 GLY 17 HA3 GLY 17 24.491 2.417 -10.986 116 HA3 GLY 17 HA2 GLY 17 24.908 4.074 -10.561 117 H GLY 18 H GLY 18 24.984 3.758 -7.733 118 HA2 GLY 18 HA3 GLY 18 26.618 1.608 -6.896 119 HA3 GLY 18 HA2 GLY 18 27.642 2.966 -7.341 120 H THR 19 H THR 19 28.012 4.475 -5.852 121 HA THR 19 HA THR 19 26.130 4.970 -3.672 122 HB THR 19 HB THR 19 27.548 4.361 -1.928 123 HG1 THR 19 HG1 THR 19 29.908 3.929 -3.077 124 HG21 THR 19 HG21 THR 19 28.504 2.518 -4.156 125 HG22 THR 19 HG22 THR 19 26.977 2.326 -3.296 126 HG23 THR 19 HG23 THR 19 28.506 2.159 -2.432 127 H ILE 20 H ILE 20 27.909 6.501 -2.123 128 HA ILE 20 HA ILE 20 27.883 8.963 -3.583 129 HB ILE 20 HB ILE 20 29.184 8.321 -0.919 130 HG12 ILE 20 HG13 ILE 20 26.418 9.439 -1.472 131 HG13 ILE 20 HG12 ILE 20 26.725 7.745 -1.095 132 HG21 ILE 20 HG21 ILE 20 28.245 10.914 -2.183 133 HG22 ILE 20 HG22 ILE 20 29.921 10.447 -1.893 134 HG23 ILE 20 HG23 ILE 20 28.842 10.753 -0.532 135 HD11 ILE 20 HD11 ILE 20 27.313 10.133 0.682 136 HD12 ILE 20 HD12 ILE 20 27.824 8.484 1.044 137 HD13 ILE 20 HD13 ILE 20 26.107 8.877 0.960 138 H GLY 21 H GLY 21 30.398 6.726 -2.485 139 HA2 GLY 21 HA3 GLY 21 32.610 8.272 -3.310 140 HA3 GLY 21 HA2 GLY 21 32.629 6.539 -3.020 141 H CYS 22 H CYS 22 30.493 6.098 -4.997 142 HA CYS 22 HA CYS 22 30.318 5.453 -7.190 143 HB2 CYS 22 HB3 CYS 22 30.045 7.771 -7.682 144 HB3 CYS 22 HB2 CYS 22 31.768 8.082 -7.485 145 H GLY 23 H GLY 23 31.336 3.765 -8.022 146 HA2 GLY 23 HA3 GLY 23 33.460 3.365 -9.460 147 HA3 GLY 23 HA2 GLY 23 34.286 3.637 -7.932 148 H GLY 24 H GLY 24 32.662 1.384 -9.889 149 HA2 GLY 24 HA3 GLY 24 32.196 -0.859 -9.662 150 HA3 GLY 24 HA2 GLY 24 33.488 -0.868 -8.466 151 H GLY 25 H GLY 25 30.532 1.027 -8.215 152 HA2 GLY 25 HA3 GLY 25 29.989 0.244 -5.578 153 HA3 GLY 25 HA2 GLY 25 28.838 1.014 -6.661 154 H ALA 26 H ALA 26 29.900 -1.709 -8.198 155 HA ALA 26 HA ALA 26 27.454 -3.048 -8.043 156 HB1 ALA 26 HB1 ALA 26 28.667 -4.954 -9.064 157 HB2 ALA 26 HB2 ALA 26 30.190 -4.124 -8.744 158 HB3 ALA 26 HB3 ALA 26 29.024 -3.425 -9.867 159 H VAL 27 H VAL 27 30.503 -3.633 -6.362 160 HA VAL 27 HA VAL 27 29.544 -5.840 -4.804 161 HB VAL 27 HB VAL 27 31.950 -5.443 -5.328 162 HG11 VAL 27 HG11 VAL 27 31.735 -3.238 -3.260 163 HG12 VAL 27 HG12 VAL 27 31.881 -2.970 -4.996 164 HG13 VAL 27 HG13 VAL 27 33.192 -3.746 -4.109 165 HG21 VAL 27 HG21 VAL 27 31.405 -5.441 -2.347 166 HG22 VAL 27 HG22 VAL 27 32.789 -6.150 -3.171 167 HG23 VAL 27 HG23 VAL 27 31.187 -6.855 -3.376 168 H ALA 28 H ALA 28 29.202 -2.432 -4.560 169 HA ALA 28 HA ALA 28 29.025 -2.082 -1.791 170 HB1 ALA 28 HB1 ALA 28 28.948 -0.305 -3.618 171 HB2 ALA 28 HB2 ALA 28 27.884 -0.076 -2.243 172 HB3 ALA 28 HB3 ALA 28 27.232 -0.679 -3.753 173 H CYS 29 H CYS 29 26.748 -3.484 -4.058 174 HA CYS 29 HA CYS 29 24.403 -3.292 -2.558 175 HB2 CYS 29 HB3 CYS 29 25.348 -5.475 -4.416 176 HB3 CYS 29 HB2 CYS 29 23.705 -5.308 -3.815 177 H GLN 30 H GLN 30 26.791 -5.912 -2.712 178 HA GLN 30 HA GLN 30 25.433 -7.467 -0.763 179 HB2 GLN 30 HB3 GLN 30 27.683 -8.729 -0.619 180 HB3 GLN 30 HB2 GLN 30 26.822 -8.755 -2.154 181 HG2 GLN 30 HG3 GLN 30 28.954 -8.237 -2.889 182 HG3 GLN 30 HG2 GLN 30 28.308 -6.626 -2.659 183 HE21 GLN 30 HE21 GLN 30 30.332 -9.121 -1.107 184 HE22 GLN 30 HE22 GLN 30 31.190 -8.046 -0.112 185 H ASN 31 H ASN 31 27.928 -5.051 -0.592 186 HA ASN 31 HA ASN 31 28.932 -5.441 1.956 187 HB2 ASN 31 HB3 ASN 31 28.466 -2.955 0.293 188 HB3 ASN 31 HB2 ASN 31 29.121 -2.868 1.917 189 HD21 ASN 31 HD21 ASN 31 30.045 -3.585 -1.354 190 HD22 ASN 31 HD22 ASN 31 31.598 -4.182 -1.004 191 H TYR 32 H TYR 32 25.896 -4.075 0.947 192 HA TYR 32 HA TYR 32 25.096 -2.829 3.307 193 HB2 TYR 32 HB3 TYR 32 23.809 -2.526 1.309 194 HB3 TYR 32 HB2 TYR 32 23.512 -4.261 1.188 195 HD1 TYR 32 HD2 TYR 32 22.137 -5.419 2.861 196 HD2 TYR 32 HD1 TYR 32 22.470 -1.142 2.791 197 HE1 TYR 32 HE2 TYR 32 20.145 -5.258 4.271 198 HE2 TYR 32 HE1 TYR 32 20.455 -0.962 4.212 199 HH TYR 32 HH TYR 32 18.778 -3.880 5.409 200 H ARG 33 H ARG 33 24.638 -6.227 2.330 201 HA ARG 33 HA ARG 33 23.183 -6.922 4.648 202 HB2 ARG 33 HB3 ARG 33 23.738 -8.223 2.338 203 HB3 ARG 33 HB2 ARG 33 24.908 -9.022 3.402 204 HG2 ARG 33 HG3 ARG 33 23.029 -10.366 3.703 205 HG3 ARG 33 HG2 ARG 33 22.865 -9.228 5.043 206 HD2 ARG 33 HD3 ARG 33 20.695 -9.298 4.049 207 HD3 ARG 33 HD2 ARG 33 21.403 -7.809 3.420 208 HE ARG 33 HE ARG 33 21.014 -10.329 1.937 209 HH11 ARG 33 HH21 ARG 33 21.989 -6.984 1.994 210 HH12 ARG 33 HH22 ARG 33 21.970 -6.826 0.270 211 HH21 ARG 33 HH11 ARG 33 21.012 -10.103 -0.297 212 HH22 ARG 33 HH12 ARG 33 21.422 -8.584 -1.021 213 H GLN 34 H GLN 34 26.606 -6.975 3.854 214 HA GLN 34 HA GLN 34 27.533 -8.279 6.193 215 HB2 GLN 34 HB3 GLN 34 28.981 -6.193 4.580 216 HB3 GLN 34 HB2 GLN 34 29.696 -7.493 5.525 217 HG2 GLN 34 HG3 GLN 34 28.747 -9.166 4.040 218 HG3 GLN 34 HG2 GLN 34 27.885 -7.928 3.133 219 HE21 GLN 34 HE21 GLN 34 28.907 -7.510 1.203 220 HE22 GLN 34 HE22 GLN 34 30.590 -7.486 0.969 221 H PHE 35 H PHE 35 27.056 -4.839 5.423 222 HA PHE 35 HA PHE 35 27.962 -4.057 8.094 223 HB2 PHE 35 HB3 PHE 35 27.086 -2.515 5.657 224 HB3 PHE 35 HB2 PHE 35 27.329 -1.715 7.207 225 HD1 PHE 35 HD1 PHE 35 29.698 -2.631 8.421 226 HD2 PHE 35 HD2 PHE 35 28.914 -2.368 4.185 227 HE1 PHE 35 HE1 PHE 35 32.124 -2.583 7.960 228 HE2 PHE 35 HE2 PHE 35 31.339 -2.331 3.748 229 HZ PHE 35 HZ PHE 35 32.951 -2.438 5.626 230 H CYS 36 H CYS 36 25.016 -3.587 6.118 231 HA CYS 36 HA CYS 36 23.503 -3.263 8.618 232 HB2 CYS 36 HB3 CYS 36 23.249 -2.182 5.854 233 HB3 CYS 36 HB2 CYS 36 21.755 -2.477 6.732 234 H ARG 37 H ARG 37 22.795 -5.187 9.280 235 HA ARG 37 HA ARG 37 22.239 -7.396 7.600 236 HB2 ARG 37 HB3 ARG 37 22.723 -7.589 10.028 237 HB3 ARG 37 HB2 ARG 37 21.164 -6.840 10.377 238 HG2 ARG 37 HG3 ARG 37 19.999 -8.668 9.232 239 HG3 ARG 37 HG2 ARG 37 21.542 -9.404 8.800 240 HD2 ARG 37 HD3 ARG 37 20.653 -10.526 10.768 241 HD3 ARG 37 HD2 ARG 37 22.081 -9.603 11.227 242 HE ARG 37 HE ARG 37 19.752 -8.018 11.586 243 HH11 ARG 37 HH21 ARG 37 21.458 -10.742 12.864 244 HH12 ARG 37 HH22 ARG 37 20.881 -10.520 14.483 245 HH21 ARG 37 HH11 ARG 37 18.992 -7.717 13.706 246 HH22 ARG 37 HH12 ARG 37 19.484 -8.806 14.958 247 H2 BGC 101 H2 GLC 0 31.915 6.648 -11.866 248 H3 BGC 101 H3 GLC 0 34.475 5.487 -10.615 249 H4 BGC 101 H4 GLC 0 34.152 8.066 -12.247 250 H5 BGC 101 H5 GLC 0 34.694 7.746 -9.218 251 H6C1 BGC 101 H61 GLC 0 35.304 9.909 -9.178 252 H6C2 BGC 101 H62 GLC 0 35.318 9.916 -10.955 253 H1 BGC 101 H1 GLC 0 32.691 6.424 -8.871 254 HB BGC 101 HO2 GLC 0 31.048 4.918 -10.594 255 HC BGC 101 HO3 GLC 0 35.113 5.287 -12.671 256 HD BGC 101 HO4 GLC 0 36.230 7.855 -12.351 257 H6 BGC 101 HO6 GLC 0 33.746 11.238 -9.342 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 32.249 4.904 5.835 2 H2 GLY 1 H2 GLY 1 31.416 5.520 7.182 3 H3 GLY 1 H3 GLY 1 31.227 6.245 5.657 4 HA2 GLY 1 HA3 GLY 1 29.728 4.755 4.959 5 HA3 GLY 1 HA2 GLY 1 30.585 3.427 5.743 6 H LEU 2 H LEU 2 28.021 3.197 6.075 7 HA LEU 2 HA LEU 2 26.289 3.094 7.569 8 HB2 LEU 2 HB3 LEU 2 28.726 3.319 9.312 9 HB3 LEU 2 HB2 LEU 2 27.135 3.355 10.069 10 HG LEU 2 HG LEU 2 27.740 1.179 8.069 11 HD11 LEU 2 HD11 LEU 2 28.679 1.266 10.950 12 HD12 LEU 2 HD12 LEU 2 29.669 1.031 9.510 13 HD13 LEU 2 HD13 LEU 2 28.540 -0.224 10.018 14 HD21 LEU 2 HD21 LEU 2 26.076 -0.024 9.274 15 HD22 LEU 2 HD22 LEU 2 25.457 1.623 9.213 16 HD23 LEU 2 HD23 LEU 2 26.218 1.026 10.683 17 H GLY 3 H GLY 3 24.929 4.332 9.012 18 HA2 GLY 3 HA3 GLY 3 24.835 6.556 10.252 19 HA3 GLY 3 HA2 GLY 3 25.379 7.251 8.734 20 H LYS 4 H LYS 4 23.027 8.094 9.874 21 HA LYS 4 HA LYS 4 20.717 6.700 8.992 22 HB2 LYS 4 HB3 LYS 4 19.546 8.750 9.542 23 HB3 LYS 4 HB2 LYS 4 20.865 8.629 10.705 24 HG2 LYS 4 HG3 LYS 4 22.234 10.094 9.056 25 HG3 LYS 4 HG2 LYS 4 20.716 10.394 8.241 26 HD2 LYS 4 HD3 LYS 4 20.806 12.199 9.718 27 HD3 LYS 4 HD2 LYS 4 19.833 11.043 10.627 28 HE2 LYS 4 HE3 LYS 4 21.765 10.349 11.919 29 HE3 LYS 4 HE2 LYS 4 22.837 11.319 10.917 30 HZ1 LYS 4 HZ1 LYS 4 22.317 13.163 12.027 31 HZ2 LYS 4 HZ2 LYS 4 21.669 12.138 13.217 32 HZ3 LYS 4 HZ3 LYS 4 20.657 12.815 12.033 33 H ALA 5 H ALA 5 19.836 6.626 7.005 34 HA ALA 5 HA ALA 5 19.443 7.069 4.803 35 HB1 ALA 5 HB1 ALA 5 19.439 9.273 4.064 36 HB2 ALA 5 HB2 ALA 5 20.888 9.689 4.980 37 HB3 ALA 5 HB3 ALA 5 19.346 9.492 5.809 38 H GLN 6 H GLN 6 22.556 7.306 6.221 39 HA GLN 6 HA GLN 6 24.091 7.424 3.886 40 HB2 GLN 6 HB3 GLN 6 24.918 7.891 6.244 41 HB3 GLN 6 HB2 GLN 6 24.830 6.161 6.547 42 HG2 GLN 6 HG3 GLN 6 26.425 7.319 4.259 43 HG3 GLN 6 HG2 GLN 6 27.124 7.065 5.864 44 HE21 GLN 6 HE21 GLN 6 27.928 5.639 3.415 45 HE22 GLN 6 HE22 GLN 6 27.600 3.995 3.682 46 H CYS 7 H CYS 7 22.782 4.938 5.947 47 HA CYS 7 HA CYS 7 23.844 2.728 4.483 48 HB2 CYS 7 HB3 CYS 7 21.956 3.108 6.745 49 HB3 CYS 7 HB2 CYS 7 21.776 1.613 5.833 50 H ALA 8 H ALA 8 20.591 4.157 4.666 51 HA ALA 8 HA ALA 8 19.430 2.430 2.787 52 HB1 ALA 8 HB1 ALA 8 17.996 3.715 4.175 53 HB2 ALA 8 HB2 ALA 8 17.738 4.304 2.533 54 HB3 ALA 8 HB3 ALA 8 18.740 5.223 3.653 55 H ALA 9 H ALA 9 20.881 5.611 2.333 56 HA ALA 9 HA ALA 9 20.329 5.817 -0.422 57 HB1 ALA 9 HB1 ALA 9 21.013 7.750 0.920 58 HB2 ALA 9 HB2 ALA 9 22.103 7.528 -0.448 59 HB3 ALA 9 HB3 ALA 9 22.602 7.028 1.167 60 H LEU 10 H LEU 10 22.878 4.247 1.394 61 HA LEU 10 HA LEU 10 24.658 3.823 -0.764 62 HB2 LEU 10 HB3 LEU 10 25.204 3.669 1.639 63 HB3 LEU 10 HB2 LEU 10 24.189 2.245 1.768 64 HG LEU 10 HG LEU 10 25.647 0.931 0.382 65 HD11 LEU 10 HD11 LEU 10 27.010 3.572 -0.203 66 HD12 LEU 10 HD12 LEU 10 26.396 2.376 -1.350 67 HD13 LEU 10 HD13 LEU 10 27.847 2.037 -0.413 68 HD21 LEU 10 HD21 LEU 10 26.353 1.143 2.696 69 HD22 LEU 10 HD22 LEU 10 27.154 2.673 2.360 70 HD23 LEU 10 HD23 LEU 10 27.793 1.185 1.686 71 H TRP 11 H TRP 11 21.951 1.873 0.534 72 HA TRP 11 HA TRP 11 22.364 -0.190 -1.465 73 HB2 TRP 11 HB3 TRP 11 21.256 -1.375 0.110 74 HB3 TRP 11 HB2 TRP 11 20.916 0.098 1.003 75 HD1 TRP 11 HD1 TRP 11 18.530 1.017 0.949 76 HE1 TRP 11 HE1 TRP 11 16.301 0.194 -0.047 77 HE3 TRP 11 HE3 TRP 11 20.285 -2.613 -2.156 78 HZ2 TRP 11 HZ2 TRP 11 15.394 -1.750 -1.952 79 HZ3 TRP 11 HZ3 TRP 11 18.726 -3.935 -3.558 80 HH2 TRP 11 HH2 TRP 11 16.286 -3.505 -3.464 81 H LEU 12 H LEU 12 20.185 2.544 -0.960 82 HA LEU 12 HA LEU 12 18.411 2.008 -3.079 83 HB2 LEU 12 HB3 LEU 12 18.304 3.766 -1.142 84 HB3 LEU 12 HB2 LEU 12 19.155 4.811 -2.267 85 HG LEU 12 HG LEU 12 17.237 3.982 -3.950 86 HD11 LEU 12 HD11 LEU 12 16.310 2.497 -2.037 87 HD12 LEU 12 HD12 LEU 12 15.158 3.480 -2.936 88 HD13 LEU 12 HD13 LEU 12 15.706 4.000 -1.343 89 HD21 LEU 12 HD21 LEU 12 17.673 6.330 -3.295 90 HD22 LEU 12 HD22 LEU 12 16.766 6.079 -1.803 91 HD23 LEU 12 HD23 LEU 12 15.943 5.993 -3.361 92 H GLN 13 H GLN 13 21.409 3.876 -2.926 93 HA GLN 13 HA GLN 13 21.362 4.832 -5.575 94 HB2 GLN 13 HB3 GLN 13 23.572 4.286 -3.596 95 HB3 GLN 13 HB2 GLN 13 23.883 4.963 -5.188 96 HG2 GLN 13 HG3 GLN 13 21.817 6.193 -3.376 97 HG3 GLN 13 HG2 GLN 13 23.518 6.607 -3.214 98 HE21 GLN 13 HE21 GLN 13 22.667 5.794 -6.436 99 HE22 GLN 13 HE22 GLN 13 22.520 7.376 -7.038 100 H CYS 14 H CYS 14 22.596 1.872 -4.104 101 HA CYS 14 HA CYS 14 23.918 0.852 -6.362 102 HB2 CYS 14 HB3 CYS 14 23.658 0.046 -3.775 103 HB3 CYS 14 HB2 CYS 14 22.601 -1.118 -4.565 104 H ALA 15 H ALA 15 20.714 1.483 -5.978 105 HA ALA 15 HA ALA 15 19.506 -0.697 -7.297 106 HB1 ALA 15 HB1 ALA 15 17.593 0.761 -7.508 107 HB2 ALA 15 HB2 ALA 15 18.603 2.180 -7.230 108 HB3 ALA 15 HB3 ALA 15 18.327 1.024 -5.925 109 H SER 16 H SER 16 20.967 2.296 -8.364 110 HA SER 16 HA SER 16 20.463 1.614 -11.179 111 HB2 SER 16 HB3 SER 16 21.233 4.154 -9.771 112 HB3 SER 16 HB2 SER 16 21.447 3.981 -11.512 113 HG SER 16 HG SER 16 19.193 4.404 -10.076 114 H GLY 17 H GLY 17 22.952 1.813 -8.798 115 HA2 GLY 17 HA3 GLY 17 24.966 0.461 -9.202 116 HA3 GLY 17 HA2 GLY 17 24.999 1.119 -10.837 117 H GLY 18 H GLY 18 24.430 2.701 -7.705 118 HA2 GLY 18 HA3 GLY 18 26.889 4.286 -8.075 119 HA3 GLY 18 HA2 GLY 18 25.355 5.093 -7.778 120 H THR 19 H THR 19 27.334 5.590 -6.062 121 HA THR 19 HA THR 19 26.349 4.463 -3.562 122 HB THR 19 HB THR 19 28.382 3.585 -2.790 123 HG1 THR 19 HG1 THR 19 30.026 4.501 -4.791 124 HG21 THR 19 HG21 THR 19 29.330 2.168 -4.586 125 HG22 THR 19 HG22 THR 19 28.557 3.173 -5.807 126 HG23 THR 19 HG23 THR 19 27.570 2.204 -4.711 127 H ILE 20 H ILE 20 27.481 5.643 -1.686 128 HA ILE 20 HA ILE 20 27.306 8.475 -2.161 129 HB ILE 20 HB ILE 20 28.212 6.972 0.310 130 HG12 ILE 20 HG13 ILE 20 25.471 8.089 -0.326 131 HG13 ILE 20 HG12 ILE 20 25.900 6.397 -0.569 132 HG21 ILE 20 HG21 ILE 20 28.858 9.306 0.392 133 HG22 ILE 20 HG22 ILE 20 27.450 9.093 1.432 134 HG23 ILE 20 HG23 ILE 20 27.262 9.811 -0.168 135 HD11 ILE 20 HD11 ILE 20 25.953 7.919 2.051 136 HD12 ILE 20 HD12 ILE 20 26.576 6.281 1.844 137 HD13 ILE 20 HD13 ILE 20 24.859 6.609 1.612 138 H GLY 21 H GLY 21 29.837 6.104 -2.008 139 HA2 GLY 21 HA3 GLY 21 31.796 8.043 -2.819 140 HA3 GLY 21 HA2 GLY 21 32.079 7.360 -1.219 141 H CYS 22 H CYS 22 33.808 7.010 -3.341 142 HA CYS 22 HA CYS 22 35.036 5.435 -4.455 143 HB2 CYS 22 HB2 CYS 22 33.638 3.749 -2.384 144 HB3 CYS 22 HB3 CYS 22 34.804 3.051 -3.523 145 H GLY 23 H GLY 23 34.893 3.726 -6.048 146 HA2 GLY 23 HA3 GLY 23 32.527 3.931 -7.630 147 HA3 GLY 23 HA2 GLY 23 33.924 2.918 -7.971 148 H GLY 24 H GLY 24 33.873 0.812 -7.485 149 HA2 GLY 24 HA3 GLY 24 33.016 -1.261 -6.952 150 HA3 GLY 24 HA2 GLY 24 32.223 -0.466 -5.596 151 H GLY 25 H GLY 25 30.280 0.832 -6.226 152 HA2 GLY 25 HA3 GLY 25 28.108 0.920 -6.859 153 HA3 GLY 25 HA2 GLY 25 28.733 0.602 -8.470 154 H ALA 26 H ALA 26 29.331 -1.698 -8.815 155 HA ALA 26 HA ALA 26 26.998 -3.271 -8.606 156 HB1 ALA 26 HB1 ALA 26 28.671 -3.583 -10.390 157 HB2 ALA 26 HB2 ALA 26 28.345 -5.091 -9.536 158 HB3 ALA 26 HB3 ALA 26 29.818 -4.187 -9.192 159 H VAL 27 H VAL 27 30.099 -3.449 -6.980 160 HA VAL 27 HA VAL 27 29.334 -5.584 -5.212 161 HB VAL 27 HB VAL 27 31.669 -5.174 -5.936 162 HG11 VAL 27 HG11 VAL 27 32.910 -3.282 -5.116 163 HG12 VAL 27 HG12 VAL 27 31.549 -2.756 -4.126 164 HG13 VAL 27 HG13 VAL 27 31.439 -2.690 -5.881 165 HG21 VAL 27 HG21 VAL 27 32.681 -5.752 -3.894 166 HG22 VAL 27 HG22 VAL 27 31.009 -6.248 -3.646 167 HG23 VAL 27 HG23 VAL 27 31.595 -4.740 -2.955 168 H ALA 28 H ALA 28 28.904 -2.162 -5.221 169 HA ALA 28 HA ALA 28 28.852 -1.629 -2.465 170 HB1 ALA 28 HB1 ALA 28 28.101 -0.284 -4.884 171 HB2 ALA 28 HB2 ALA 28 28.456 0.423 -3.320 172 HB3 ALA 28 HB3 ALA 28 26.809 -0.066 -3.709 173 H CYS 29 H CYS 29 26.477 -3.200 -4.550 174 HA CYS 29 HA CYS 29 24.256 -2.939 -2.856 175 HB2 CYS 29 HB3 CYS 29 24.979 -5.184 -4.729 176 HB3 CYS 29 HB2 CYS 29 23.420 -4.973 -3.965 177 H GLN 30 H GLN 30 26.655 -5.582 -3.078 178 HA GLN 30 HA GLN 30 25.345 -7.057 -1.022 179 HB2 GLN 30 HB3 GLN 30 27.483 -8.392 -0.897 180 HB3 GLN 30 HB2 GLN 30 26.719 -8.339 -2.478 181 HG2 GLN 30 HG3 GLN 30 29.022 -7.954 -2.884 182 HG3 GLN 30 HG2 GLN 30 28.260 -6.376 -2.986 183 HE21 GLN 30 HE21 GLN 30 28.909 -8.081 0.083 184 HE22 GLN 30 HE22 GLN 30 30.058 -6.967 0.646 185 H ASN 31 H ASN 31 27.900 -4.681 -1.004 186 HA ASN 31 HA ASN 31 29.041 -4.968 1.470 187 HB2 ASN 31 HB3 ASN 31 28.268 -2.515 -0.112 188 HB3 ASN 31 HB2 ASN 31 29.073 -2.412 1.435 189 HD21 ASN 31 HD21 ASN 31 29.684 -3.127 -1.934 190 HD22 ASN 31 HD22 ASN 31 31.324 -3.534 -1.744 191 H TYR 32 H TYR 32 25.877 -3.814 0.644 192 HA TYR 32 HA TYR 32 25.112 -2.579 3.023 193 HB2 TYR 32 HB3 TYR 32 23.816 -2.297 1.033 194 HB3 TYR 32 HB2 TYR 32 23.516 -4.029 0.937 195 HD1 TYR 32 HD2 TYR 32 22.174 -5.156 2.611 196 HD2 TYR 32 HD1 TYR 32 22.487 -0.886 2.496 197 HE1 TYR 32 HE2 TYR 32 20.209 -4.997 4.072 198 HE2 TYR 32 HE1 TYR 32 20.502 -0.707 3.973 199 HH TYR 32 HH TYR 32 18.439 -2.238 4.473 200 H ARG 33 H ARG 33 24.643 -6.034 2.120 201 HA ARG 33 HA ARG 33 23.310 -6.708 4.533 202 HB2 ARG 33 HB3 ARG 33 23.746 -8.063 2.283 203 HB3 ARG 33 HB2 ARG 33 25.104 -8.734 3.189 204 HG2 ARG 33 HG3 ARG 33 22.128 -8.836 3.938 205 HG3 ARG 33 HG2 ARG 33 23.153 -10.189 3.496 206 HD2 ARG 33 HD3 ARG 33 23.078 -8.655 6.136 207 HD3 ARG 33 HD2 ARG 33 23.059 -10.402 5.849 208 HE ARG 33 HE ARG 33 25.401 -8.794 6.141 209 HH11 ARG 33 HH21 ARG 33 24.043 -11.491 4.442 210 HH12 ARG 33 HH22 ARG 33 25.568 -12.268 4.181 211 HH21 ARG 33 HH11 ARG 33 27.402 -9.811 5.800 212 HH22 ARG 33 HH12 ARG 33 27.469 -11.318 4.949 213 H GLN 34 H GLN 34 26.689 -6.668 3.573 214 HA GLN 34 HA GLN 34 27.777 -7.815 5.921 215 HB2 GLN 34 HB3 GLN 34 29.381 -5.713 4.548 216 HB3 GLN 34 HB2 GLN 34 29.832 -7.361 4.974 217 HG2 GLN 34 HG3 GLN 34 28.061 -6.517 2.697 218 HG3 GLN 34 HG2 GLN 34 29.694 -7.132 2.553 219 HE21 GLN 34 HE21 GLN 34 26.931 -8.191 1.637 220 HE22 GLN 34 HE22 GLN 34 26.920 -9.799 2.190 221 H PHE 35 H PHE 35 27.308 -4.359 5.062 222 HA PHE 35 HA PHE 35 28.228 -3.551 7.717 223 HB2 PHE 35 HB3 PHE 35 27.218 -1.998 5.332 224 HB3 PHE 35 HB2 PHE 35 27.612 -1.227 6.861 225 HD1 PHE 35 HD2 PHE 35 30.092 -2.284 7.820 226 HD2 PHE 35 HD1 PHE 35 28.899 -1.725 3.705 227 HE1 PHE 35 HE2 PHE 35 32.457 -2.194 7.128 228 HE2 PHE 35 HE1 PHE 35 31.275 -1.636 3.042 229 HZ PHE 35 HZ PHE 35 33.055 -1.868 4.748 230 H CYS 36 H CYS 36 25.239 -3.328 5.793 231 HA CYS 36 HA CYS 36 23.755 -2.768 8.266 232 HB2 CYS 36 HB3 CYS 36 23.353 -2.159 5.369 233 HB3 CYS 36 HB2 CYS 36 21.922 -2.357 6.372 234 H ARG 37 H ARG 37 23.206 -4.657 9.202 235 HA ARG 37 HA ARG 37 22.801 -7.093 7.841 236 HB2 ARG 37 HB3 ARG 37 23.327 -6.768 10.305 237 HB3 ARG 37 HB2 ARG 37 21.635 -6.334 10.521 238 HG2 ARG 37 HG3 ARG 37 21.548 -8.612 10.972 239 HG3 ARG 37 HG2 ARG 37 21.195 -8.619 9.247 240 HD2 ARG 37 HD3 ARG 37 23.626 -9.019 8.800 241 HD3 ARG 37 HD2 ARG 37 23.899 -9.108 10.535 242 HE ARG 37 HE ARG 37 21.856 -10.932 9.790 243 HH11 ARG 37 HH21 ARG 37 25.262 -10.368 9.571 244 HH12 ARG 37 HH22 ARG 37 25.676 -12.048 9.481 245 HH21 ARG 37 HH11 ARG 37 22.390 -13.141 9.671 246 HH22 ARG 37 HH12 ARG 37 24.050 -13.617 9.537 247 H2 BGC 101 H2 GLC 0 37.521 5.076 -0.076 248 H3 BGC 101 H3 GLC 0 37.290 2.182 0.938 249 H4 BGC 101 H4 GLC 0 36.422 4.768 2.344 250 H5 BGC 101 H5 GLC 0 34.655 2.555 1.096 251 H6C1 BGC 101 H61 GLC 0 32.917 3.405 2.240 252 H6C2 BGC 101 H62 GLC 0 34.050 4.403 3.178 253 H1 BGC 101 H1 GLC 0 35.676 2.798 -1.091 254 HB BGC 101 HO2 GLC 0 38.120 3.888 -1.971 255 HC BGC 101 HO3 GLC 0 38.683 2.845 2.452 256 HD BGC 101 HO4 GLC 0 36.397 3.467 3.980 257 H6 BGC 101 HO6 GLC 0 32.203 5.187 1.506 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 29.437 5.952 6.278 2 H2 GLY 1 H2 GLY 1 28.469 6.424 4.964 3 H3 GLY 1 H3 GLY 1 29.689 5.262 4.750 4 HA2 GLY 1 HA3 GLY 1 27.081 4.714 5.186 5 HA3 GLY 1 HA2 GLY 1 28.415 3.591 5.460 6 H LEU 2 H LEU 2 26.482 2.991 7.033 7 HA LEU 2 HA LEU 2 25.776 2.744 9.204 8 HB2 LEU 2 HB3 LEU 2 28.408 4.088 9.893 9 HB3 LEU 2 HB2 LEU 2 27.453 3.046 10.946 10 HG LEU 2 HG LEU 2 28.674 2.165 8.313 11 HD11 LEU 2 HD11 LEU 2 30.328 0.979 9.699 12 HD12 LEU 2 HD12 LEU 2 29.602 1.655 11.158 13 HD13 LEU 2 HD13 LEU 2 30.400 2.715 9.996 14 HD21 LEU 2 HD21 LEU 2 27.105 0.779 10.492 15 HD22 LEU 2 HD22 LEU 2 28.238 -0.133 9.497 16 HD23 LEU 2 HD23 LEU 2 26.881 0.696 8.744 17 H GLY 3 H GLY 3 26.082 5.624 7.714 18 HA2 GLY 3 HA3 GLY 3 25.305 7.317 9.978 19 HA3 GLY 3 HA2 GLY 3 25.677 7.861 8.351 20 H LYS 4 H LYS 4 23.453 8.788 9.636 21 HA LYS 4 HA LYS 4 21.091 7.298 9.112 22 HB2 LYS 4 HB3 LYS 4 19.914 9.361 9.615 23 HB3 LYS 4 HB2 LYS 4 21.333 9.351 10.662 24 HG2 LYS 4 HG3 LYS 4 22.518 10.777 8.905 25 HG3 LYS 4 HG2 LYS 4 20.987 10.909 8.073 26 HD2 LYS 4 HD3 LYS 4 19.931 11.907 10.048 27 HD3 LYS 4 HD2 LYS 4 21.447 11.790 10.938 28 HE2 LYS 4 HE3 LYS 4 21.009 13.388 8.397 29 HE3 LYS 4 HE2 LYS 4 21.144 14.056 10.022 30 HZ1 LYS 4 HZ1 LYS 4 23.372 12.983 10.139 31 HZ2 LYS 4 HZ2 LYS 4 23.256 14.235 8.997 32 HZ3 LYS 4 HZ3 LYS 4 23.233 12.613 8.490 33 H ALA 5 H ALA 5 20.056 7.012 7.236 34 HA ALA 5 HA ALA 5 19.396 7.231 5.057 35 HB1 ALA 5 HB1 ALA 5 19.244 9.713 5.867 36 HB2 ALA 5 HB2 ALA 5 19.212 9.367 4.139 37 HB3 ALA 5 HB3 ALA 5 20.699 9.932 4.899 38 H GLN 6 H GLN 6 22.655 7.718 6.075 39 HA GLN 6 HA GLN 6 23.845 7.730 3.533 40 HB2 GLN 6 HB3 GLN 6 24.798 7.164 6.319 41 HB3 GLN 6 HB2 GLN 6 25.850 6.864 4.962 42 HG2 GLN 6 HG3 GLN 6 24.486 9.520 5.438 43 HG3 GLN 6 HG2 GLN 6 26.119 9.162 6.023 44 HE21 GLN 6 HE21 GLN 6 27.834 9.078 4.449 45 HE22 GLN 6 HE22 GLN 6 27.604 9.511 2.824 46 H CYS 7 H CYS 7 22.986 5.368 5.934 47 HA CYS 7 HA CYS 7 24.042 3.104 4.561 48 HB2 CYS 7 HB3 CYS 7 23.229 3.484 7.084 49 HB3 CYS 7 HB2 CYS 7 21.753 2.765 6.449 50 H ALA 8 H ALA 8 20.731 4.376 4.917 51 HA ALA 8 HA ALA 8 19.522 2.448 3.265 52 HB1 ALA 8 HB1 ALA 8 17.758 4.282 2.958 53 HB2 ALA 8 HB2 ALA 8 18.789 5.272 3.991 54 HB3 ALA 8 HB3 ALA 8 18.096 3.775 4.612 55 H ALA 9 H ALA 9 20.849 5.613 2.499 56 HA ALA 9 HA ALA 9 20.141 5.617 -0.235 57 HB1 ALA 9 HB1 ALA 9 20.803 7.651 0.984 58 HB2 ALA 9 HB2 ALA 9 21.793 7.412 -0.456 59 HB3 ALA 9 HB3 ALA 9 22.445 7.022 1.136 60 H LEU 10 H LEU 10 22.860 4.308 1.546 61 HA LEU 10 HA LEU 10 24.582 3.822 -0.628 62 HB2 LEU 10 HB3 LEU 10 25.211 3.760 1.752 63 HB3 LEU 10 HB2 LEU 10 24.234 2.321 1.969 64 HG LEU 10 HG LEU 10 25.649 1.019 0.486 65 HD11 LEU 10 HD11 LEU 10 26.400 2.504 -1.207 66 HD12 LEU 10 HD12 LEU 10 27.850 2.156 -0.280 67 HD13 LEU 10 HD13 LEU 10 26.998 3.681 -0.033 68 HD21 LEU 10 HD21 LEU 10 26.417 1.059 2.751 69 HD22 LEU 10 HD22 LEU 10 27.081 2.681 2.580 70 HD23 LEU 10 HD23 LEU 10 27.853 1.325 1.770 71 H TRP 11 H TRP 11 21.918 1.829 0.771 72 HA TRP 11 HA TRP 11 22.419 -0.281 -1.173 73 HB2 TRP 11 HB3 TRP 11 21.206 -1.439 0.359 74 HB3 TRP 11 HB2 TRP 11 20.880 0.054 1.227 75 HD1 TRP 11 HD1 TRP 11 18.536 1.091 1.031 76 HE1 TRP 11 HE1 TRP 11 16.321 0.341 -0.043 77 HE3 TRP 11 HE3 TRP 11 20.257 -2.721 -1.885 78 HZ2 TRP 11 HZ2 TRP 11 15.410 -1.606 -1.938 79 HZ3 TRP 11 HZ3 TRP 11 18.697 -4.004 -3.319 80 HH2 TRP 11 HH2 TRP 11 16.280 -3.450 -3.354 81 H LEU 12 H LEU 12 20.141 2.381 -0.774 82 HA LEU 12 HA LEU 12 18.457 1.784 -2.925 83 HB2 LEU 12 HB3 LEU 12 18.368 3.592 -0.973 84 HB3 LEU 12 HB2 LEU 12 19.041 4.637 -2.209 85 HG LEU 12 HG LEU 12 16.655 4.878 -2.291 86 HD11 LEU 12 HD11 LEU 12 18.011 4.594 -4.464 87 HD12 LEU 12 HD12 LEU 12 16.258 4.486 -4.572 88 HD13 LEU 12 HD13 LEU 12 17.230 3.017 -4.593 89 HD21 LEU 12 HD21 LEU 12 15.105 3.200 -2.088 90 HD22 LEU 12 HD22 LEU 12 16.430 2.357 -1.296 91 HD23 LEU 12 HD23 LEU 12 16.064 2.029 -2.990 92 H GLN 13 H GLN 13 21.393 3.804 -2.789 93 HA GLN 13 HA GLN 13 21.305 4.692 -5.454 94 HB2 GLN 13 HB3 GLN 13 23.538 4.288 -3.463 95 HB3 GLN 13 HB2 GLN 13 23.837 4.897 -5.081 96 HG2 GLN 13 HG3 GLN 13 22.193 6.671 -4.690 97 HG3 GLN 13 HG2 GLN 13 21.996 6.138 -3.043 98 HE21 GLN 13 HE21 GLN 13 25.053 5.460 -3.110 99 HE22 GLN 13 HE22 GLN 13 25.783 6.969 -2.842 100 H CYS 14 H CYS 14 22.656 1.844 -3.933 101 HA CYS 14 HA CYS 14 24.028 0.799 -6.144 102 HB2 CYS 14 HB3 CYS 14 23.665 -0.011 -3.557 103 HB3 CYS 14 HB2 CYS 14 22.684 -1.197 -4.407 104 H ALA 15 H ALA 15 20.843 1.460 -5.930 105 HA ALA 15 HA ALA 15 19.691 -0.757 -7.277 106 HB1 ALA 15 HB1 ALA 15 17.774 0.716 -7.575 107 HB2 ALA 15 HB2 ALA 15 18.763 2.110 -7.138 108 HB3 ALA 15 HB3 ALA 15 18.402 0.872 -5.931 109 H SER 16 H SER 16 21.131 2.275 -8.245 110 HA SER 16 HA SER 16 20.761 1.589 -11.093 111 HB2 SER 16 HB3 SER 16 20.809 3.864 -11.575 112 HB3 SER 16 HB2 SER 16 20.041 3.856 -9.988 113 HG SER 16 HG SER 16 22.545 4.731 -10.767 114 H GLY 17 H GLY 17 23.073 1.596 -8.624 115 HA2 GLY 17 HA3 GLY 17 25.214 0.519 -9.081 116 HA3 GLY 17 HA2 GLY 17 25.279 1.404 -10.603 117 H GLY 18 H GLY 18 24.056 3.085 -7.864 118 HA2 GLY 18 HA3 GLY 18 26.396 4.829 -7.858 119 HA3 GLY 18 HA2 GLY 18 24.825 5.192 -7.162 120 H THR 19 H THR 19 27.420 5.450 -5.937 121 HA THR 19 HA THR 19 26.851 4.147 -3.438 122 HB THR 19 HB THR 19 28.023 2.302 -4.280 123 HG1 THR 19 HG1 THR 19 30.185 2.558 -3.256 124 HG21 THR 19 HG21 THR 19 29.869 4.322 -5.590 125 HG22 THR 19 HG22 THR 19 28.873 3.098 -6.372 126 HG23 THR 19 HG23 THR 19 30.296 2.619 -5.444 127 H ILE 20 H ILE 20 28.107 4.956 -1.677 128 HA ILE 20 HA ILE 20 28.769 7.742 -1.898 129 HB ILE 20 HB ILE 20 29.283 5.782 0.364 130 HG12 ILE 20 HG13 ILE 20 26.980 7.715 -0.011 131 HG13 ILE 20 HG12 ILE 20 26.880 5.999 -0.399 132 HG21 ILE 20 HG21 ILE 20 29.176 7.945 1.707 133 HG22 ILE 20 HG22 ILE 20 29.287 8.803 0.170 134 HG23 ILE 20 HG23 ILE 20 30.604 7.753 0.691 135 HD11 ILE 20 HD11 ILE 20 26.001 6.395 1.859 136 HD12 ILE 20 HD12 ILE 20 27.513 7.175 2.329 137 HD13 ILE 20 HD13 ILE 20 27.490 5.452 1.949 138 H GLY 21 H GLY 21 30.576 4.713 -1.549 139 HA2 GLY 21 HA3 GLY 21 33.137 5.901 -1.265 140 HA3 GLY 21 HA2 GLY 21 32.823 4.230 -1.715 141 H CYS 22 H CYS 22 31.074 5.850 -3.875 142 HA CYS 22 HA CYS 22 31.330 6.057 -6.165 143 HB2 CYS 22 HB3 CYS 22 31.904 8.283 -5.489 144 HB3 CYS 22 HB2 CYS 22 33.538 7.786 -5.048 145 H GLY 23 H GLY 23 31.879 3.988 -6.857 146 HA2 GLY 23 HA3 GLY 23 34.030 3.533 -8.410 147 HA3 GLY 23 HA2 GLY 23 34.642 3.092 -6.821 148 H GLY 24 H GLY 24 32.742 2.141 -9.482 149 HA2 GLY 24 HA3 GLY 24 31.566 0.225 -9.999 150 HA3 GLY 24 HA2 GLY 24 32.733 -0.572 -8.949 151 H GLY 25 H GLY 25 29.767 1.403 -8.749 152 HA2 GLY 25 HA3 GLY 25 29.051 0.737 -6.132 153 HA3 GLY 25 HA2 GLY 25 27.920 1.218 -7.391 154 H ALA 26 H ALA 26 29.446 -1.405 -8.644 155 HA ALA 26 HA ALA 26 27.194 -3.064 -8.432 156 HB1 ALA 26 HB1 ALA 26 28.802 -4.873 -9.217 157 HB2 ALA 26 HB2 ALA 26 30.061 -3.640 -9.155 158 HB3 ALA 26 HB3 ALA 26 28.687 -3.443 -10.243 159 H VAL 27 H VAL 27 30.299 -3.171 -6.772 160 HA VAL 27 HA VAL 27 29.607 -5.372 -5.073 161 HB VAL 27 HB VAL 27 31.943 -4.765 -5.764 162 HG11 VAL 27 HG11 VAL 27 31.667 -2.597 -3.671 163 HG12 VAL 27 HG12 VAL 27 31.649 -2.306 -5.404 164 HG13 VAL 27 HG13 VAL 27 33.092 -2.961 -4.640 165 HG21 VAL 27 HG21 VAL 27 31.473 -6.249 -3.804 166 HG22 VAL 27 HG22 VAL 27 31.508 -4.828 -2.766 167 HG23 VAL 27 HG23 VAL 27 32.963 -5.326 -3.620 168 H ALA 28 H ALA 28 29.005 -1.962 -4.930 169 HA ALA 28 HA ALA 28 28.906 -1.608 -2.134 170 HB1 ALA 28 HB1 ALA 28 28.727 0.416 -3.204 171 HB2 ALA 28 HB2 ALA 28 27.010 0.124 -2.915 172 HB3 ALA 28 HB3 ALA 28 27.717 -0.229 -4.482 173 H CYS 29 H CYS 29 26.665 -3.163 -4.345 174 HA CYS 29 HA CYS 29 24.372 -3.052 -2.743 175 HB2 CYS 29 HB3 CYS 29 25.266 -5.242 -4.613 176 HB3 CYS 29 HB2 CYS 29 23.655 -5.041 -3.958 177 H GLN 30 H GLN 30 26.887 -5.559 -3.015 178 HA GLN 30 HA GLN 30 25.663 -7.175 -1.017 179 HB2 GLN 30 HB3 GLN 30 27.946 -8.360 -0.928 180 HB3 GLN 30 HB2 GLN 30 27.051 -8.423 -2.440 181 HG2 GLN 30 HG3 GLN 30 29.163 -7.866 -3.215 182 HG3 GLN 30 HG2 GLN 30 28.468 -6.271 -3.017 183 HE21 GLN 30 HE21 GLN 30 30.584 -8.663 -1.410 184 HE22 GLN 30 HE22 GLN 30 31.424 -7.527 -0.469 185 H ASN 31 H ASN 31 28.022 -4.632 -0.889 186 HA ASN 31 HA ASN 31 29.114 -4.997 1.632 187 HB2 ASN 31 HB3 ASN 31 28.418 -2.515 0.033 188 HB3 ASN 31 HB2 ASN 31 29.158 -2.433 1.620 189 HD21 ASN 31 HD21 ASN 31 29.935 -3.103 -1.721 190 HD22 ASN 31 HD22 ASN 31 31.542 -3.594 -1.452 191 H TYR 32 H TYR 32 25.981 -3.799 0.702 192 HA TYR 32 HA TYR 32 25.159 -2.663 3.108 193 HB2 TYR 32 HB3 TYR 32 23.833 -2.333 1.152 194 HB3 TYR 32 HB2 TYR 32 23.611 -4.070 0.950 195 HD1 TYR 32 HD1 TYR 32 22.322 -5.366 2.596 196 HD2 TYR 32 HD2 TYR 32 22.430 -1.078 2.667 197 HE1 TYR 32 HE1 TYR 32 20.348 -5.362 4.039 198 HE2 TYR 32 HE2 TYR 32 20.428 -1.049 4.109 199 HH TYR 32 HH TYR 32 18.708 -2.338 4.918 200 H ARG 33 H ARG 33 24.788 -6.081 2.067 201 HA ARG 33 HA ARG 33 23.403 -6.860 4.408 202 HB2 ARG 33 HB3 ARG 33 24.067 -8.141 2.089 203 HB3 ARG 33 HB2 ARG 33 25.239 -8.881 3.191 204 HG2 ARG 33 HG3 ARG 33 23.410 -10.308 3.421 205 HG3 ARG 33 HG2 ARG 33 23.177 -9.201 4.776 206 HD2 ARG 33 HD3 ARG 33 21.024 -9.348 3.749 207 HD3 ARG 33 HD2 ARG 33 21.672 -7.820 3.157 208 HE ARG 33 HE ARG 33 21.423 -10.330 1.618 209 HH11 ARG 33 HH21 ARG 33 22.267 -6.958 1.759 210 HH12 ARG 33 HH22 ARG 33 22.231 -6.752 0.042 211 HH21 ARG 33 HH11 ARG 33 21.395 -10.039 -0.627 212 HH22 ARG 33 HH12 ARG 33 21.745 -8.482 -1.302 213 H GLN 34 H GLN 34 26.799 -6.746 3.559 214 HA GLN 34 HA GLN 34 27.893 -7.967 5.855 215 HB2 GLN 34 HB3 GLN 34 29.068 -5.776 4.167 216 HB3 GLN 34 HB2 GLN 34 29.954 -6.964 5.112 217 HG2 GLN 34 HG3 GLN 34 29.067 -8.773 3.714 218 HG3 GLN 34 HG2 GLN 34 28.129 -7.610 2.787 219 HE21 GLN 34 HE21 GLN 34 29.117 -7.068 0.859 220 HE22 GLN 34 HE22 GLN 34 30.797 -6.997 0.607 221 H PHE 35 H PHE 35 27.234 -4.533 5.129 222 HA PHE 35 HA PHE 35 28.143 -3.751 7.801 223 HB2 PHE 35 HB3 PHE 35 27.168 -2.210 5.400 224 HB3 PHE 35 HB2 PHE 35 27.413 -1.425 6.955 225 HD1 PHE 35 HD1 PHE 35 29.845 -2.274 8.107 226 HD2 PHE 35 HD2 PHE 35 28.960 -1.940 3.894 227 HE1 PHE 35 HE1 PHE 35 32.251 -2.087 7.598 228 HE2 PHE 35 HE2 PHE 35 31.372 -1.768 3.409 229 HZ PHE 35 HZ PHE 35 33.019 -1.837 5.257 230 H CYS 36 H CYS 36 25.157 -3.460 5.861 231 HA CYS 36 HA CYS 36 23.654 -3.172 8.377 232 HB2 CYS 36 HB3 CYS 36 23.334 -2.088 5.616 233 HB3 CYS 36 HB2 CYS 36 21.867 -2.424 6.524 234 H ARG 37 H ARG 37 23.049 -5.137 9.011 235 HA ARG 37 HA ARG 37 22.740 -7.461 7.652 236 HB2 ARG 37 HB3 ARG 37 21.255 -8.198 9.393 237 HB3 ARG 37 HB2 ARG 37 22.469 -7.161 10.120 238 HG2 ARG 37 HG3 ARG 37 20.840 -5.253 9.978 239 HG3 ARG 37 HG2 ARG 37 19.622 -6.388 9.397 240 HD2 ARG 37 HD3 ARG 37 19.335 -6.128 11.787 241 HD3 ARG 37 HD2 ARG 37 19.968 -7.743 11.474 242 HE ARG 37 HE ARG 37 22.124 -5.964 11.929 243 HH11 ARG 37 HH21 ARG 37 19.475 -7.507 13.538 244 HH12 ARG 37 HH22 ARG 37 20.262 -7.556 15.080 245 HH21 ARG 37 HH11 ARG 37 23.159 -6.025 13.947 246 HH22 ARG 37 HH12 ARG 37 22.347 -6.717 15.311 247 H2 BGC 101 H2 GLC 0 34.288 8.337 -9.562 248 H3 BGC 101 H3 GLC 0 35.961 5.864 -8.824 249 H4 BGC 101 H4 GLC 0 36.880 8.781 -9.068 250 H5 BGC 101 H5 GLC 0 36.534 7.066 -6.516 251 H6C1 BGC 101 H61 GLC 0 37.767 8.592 -5.418 252 H6C2 BGC 101 H62 GLC 0 38.217 9.318 -6.976 253 H1 BGC 101 H1 GLC 0 34.195 6.624 -6.978 254 HB BGC 101 HO2 GLC 0 32.635 6.734 -9.322 255 HC BGC 101 HO3 GLC 0 36.986 6.288 -10.679 256 HD BGC 101 HO4 GLC 0 38.743 7.833 -9.108 257 H6 BGC 101 HO6 GLC 0 36.799 10.366 -5.049 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 29.216 5.184 6.120 2 H2 GLY 1 H2 GLY 1 28.896 3.535 6.365 3 H3 GLY 1 H3 GLY 1 30.442 4.039 5.877 4 HA2 GLY 1 HA3 GLY 1 30.723 3.631 8.128 5 HA3 GLY 1 HA2 GLY 1 30.484 5.377 8.038 6 H LEU 2 H LEU 2 27.869 3.175 7.399 7 HA LEU 2 HA LEU 2 25.807 2.968 8.388 8 HB2 LEU 2 HB3 LEU 2 27.828 2.546 10.550 9 HB3 LEU 2 HB2 LEU 2 26.138 2.648 11.039 10 HG LEU 2 HG LEU 2 26.826 0.869 8.709 11 HD11 LEU 2 HD11 LEU 2 27.192 -1.008 10.392 12 HD12 LEU 2 HD12 LEU 2 27.404 0.244 11.617 13 HD13 LEU 2 HD13 LEU 2 28.518 0.147 10.252 14 HD21 LEU 2 HD21 LEU 2 24.951 0.420 11.048 15 HD22 LEU 2 HD22 LEU 2 24.944 -0.404 9.490 16 HD23 LEU 2 HD23 LEU 2 24.467 1.290 9.595 17 H GLY 3 H GLY 3 24.642 4.739 8.129 18 HA2 GLY 3 HA3 GLY 3 24.358 6.567 10.350 19 HA3 GLY 3 HA2 GLY 3 25.013 7.314 8.902 20 H LYS 4 H LYS 4 22.701 8.246 9.838 21 HA LYS 4 HA LYS 4 20.357 6.963 8.887 22 HB2 LYS 4 HB3 LYS 4 19.254 9.076 9.373 23 HB3 LYS 4 HB2 LYS 4 20.527 8.913 10.585 24 HG2 LYS 4 HG3 LYS 4 22.018 10.346 9.086 25 HG3 LYS 4 HG2 LYS 4 20.624 10.618 8.063 26 HD2 LYS 4 HD3 LYS 4 19.376 11.587 9.967 27 HD3 LYS 4 HD2 LYS 4 20.787 11.374 11.002 28 HE2 LYS 4 HE3 LYS 4 20.687 13.062 8.479 29 HE3 LYS 4 HE2 LYS 4 20.690 13.677 10.132 30 HZ1 LYS 4 HZ1 LYS 4 22.822 11.885 9.839 31 HZ2 LYS 4 HZ2 LYS 4 22.882 13.554 10.150 32 HZ3 LYS 4 HZ3 LYS 4 22.883 12.985 8.550 33 H ALA 5 H ALA 5 19.592 6.841 6.884 34 HA ALA 5 HA ALA 5 19.231 7.223 4.651 35 HB1 ALA 5 HB1 ALA 5 19.386 9.400 3.825 36 HB2 ALA 5 HB2 ALA 5 20.767 9.804 4.843 37 HB3 ALA 5 HB3 ALA 5 19.158 9.664 5.551 38 H GLN 6 H GLN 6 22.340 7.417 6.124 39 HA GLN 6 HA GLN 6 23.847 7.444 3.763 40 HB2 GLN 6 HB3 GLN 6 24.392 6.699 6.617 41 HB3 GLN 6 HB2 GLN 6 25.590 6.422 5.385 42 HG2 GLN 6 HG3 GLN 6 24.284 9.109 5.857 43 HG3 GLN 6 HG2 GLN 6 25.823 8.643 6.601 44 HE21 GLN 6 HE21 GLN 6 24.849 10.558 4.195 45 HE22 GLN 6 HE22 GLN 6 26.037 10.254 3.021 46 H CYS 7 H CYS 7 22.583 5.010 5.940 47 HA CYS 7 HA CYS 7 23.679 2.776 4.521 48 HB2 CYS 7 HB3 CYS 7 21.757 3.148 6.750 49 HB3 CYS 7 HB2 CYS 7 21.600 1.645 5.848 50 H ALA 8 H ALA 8 20.411 4.181 4.640 51 HA ALA 8 HA ALA 8 19.266 2.413 2.796 52 HB1 ALA 8 HB1 ALA 8 18.660 5.246 3.584 53 HB2 ALA 8 HB2 ALA 8 17.800 3.780 4.048 54 HB3 ALA 8 HB3 ALA 8 17.670 4.393 2.398 55 H ALA 9 H ALA 9 20.744 5.565 2.259 56 HA ALA 9 HA ALA 9 20.320 5.614 -0.527 57 HB1 ALA 9 HB1 ALA 9 22.492 6.960 1.087 58 HB2 ALA 9 HB2 ALA 9 20.890 7.621 0.760 59 HB3 ALA 9 HB3 ALA 9 22.028 7.368 -0.564 60 H LEU 10 H LEU 10 22.828 4.192 1.482 61 HA LEU 10 HA LEU 10 24.709 3.714 -0.582 62 HB2 LEU 10 HB3 LEU 10 25.185 3.605 1.850 63 HB3 LEU 10 HB2 LEU 10 24.165 2.176 1.963 64 HG LEU 10 HG LEU 10 25.644 0.903 0.499 65 HD11 LEU 10 HD11 LEU 10 27.936 2.064 -0.020 66 HD12 LEU 10 HD12 LEU 10 27.028 3.566 0.165 67 HD13 LEU 10 HD13 LEU 10 26.562 2.391 -1.066 68 HD21 LEU 10 HD21 LEU 10 26.118 1.257 3.002 69 HD22 LEU 10 HD22 LEU 10 27.378 2.377 2.491 70 HD23 LEU 10 HD23 LEU 10 27.465 0.684 2.021 71 H TRP 11 H TRP 11 22.006 1.737 0.705 72 HA TRP 11 HA TRP 11 22.565 -0.370 -1.204 73 HB2 TRP 11 HB3 TRP 11 21.329 -1.513 0.319 74 HB3 TRP 11 HB2 TRP 11 20.921 -0.007 1.135 75 HD1 TRP 11 HD1 TRP 11 18.552 0.948 0.796 76 HE1 TRP 11 HE1 TRP 11 16.443 0.137 -0.430 77 HE3 TRP 11 HE3 TRP 11 20.586 -2.820 -1.949 78 HZ2 TRP 11 HZ2 TRP 11 15.732 -1.850 -2.380 79 HZ3 TRP 11 HZ3 TRP 11 19.183 -4.156 -3.490 80 HH2 TRP 11 HH2 TRP 11 16.760 -3.677 -3.710 81 H LEU 12 H LEU 12 20.225 2.278 -0.901 82 HA LEU 12 HA LEU 12 18.659 1.641 -3.139 83 HB2 LEU 12 HB3 LEU 12 18.321 3.384 -1.222 84 HB3 LEU 12 HB2 LEU 12 19.182 4.479 -2.292 85 HG LEU 12 HG LEU 12 17.433 3.523 -4.098 86 HD11 LEU 12 HD11 LEU 12 15.726 3.491 -1.602 87 HD12 LEU 12 HD12 LEU 12 16.469 2.014 -2.210 88 HD13 LEU 12 HD13 LEU 12 15.329 2.903 -3.218 89 HD21 LEU 12 HD21 LEU 12 15.968 5.452 -3.579 90 HD22 LEU 12 HD22 LEU 12 17.674 5.890 -3.486 91 HD23 LEU 12 HD23 LEU 12 16.751 5.615 -2.008 92 H GLN 13 H GLN 13 21.538 3.688 -2.825 93 HA GLN 13 HA GLN 13 21.570 4.660 -5.458 94 HB2 GLN 13 HB3 GLN 13 23.725 4.156 -3.416 95 HB3 GLN 13 HB2 GLN 13 24.069 4.845 -4.991 96 HG2 GLN 13 HG3 GLN 13 21.895 6.017 -3.274 97 HG3 GLN 13 HG2 GLN 13 23.573 6.469 -3.018 98 HE21 GLN 13 HE21 GLN 13 22.882 5.649 -6.285 99 HE22 GLN 13 HE22 GLN 13 22.744 7.231 -6.888 100 H CYS 14 H CYS 14 22.829 1.689 -4.020 101 HA CYS 14 HA CYS 14 24.293 0.759 -6.203 102 HB2 CYS 14 HB3 CYS 14 23.898 -0.218 -3.749 103 HB3 CYS 14 HB2 CYS 14 22.724 -1.219 -4.597 104 H ALA 15 H ALA 15 21.030 1.342 -6.031 105 HA ALA 15 HA ALA 15 20.053 -0.721 -7.716 106 HB1 ALA 15 HB1 ALA 15 18.043 0.543 -7.763 107 HB2 ALA 15 HB2 ALA 15 18.905 2.035 -7.382 108 HB3 ALA 15 HB3 ALA 15 18.734 0.780 -6.156 109 H SER 16 H SER 16 21.307 2.515 -8.247 110 HA SER 16 HA SER 16 21.077 2.140 -11.164 111 HB2 SER 16 HB3 SER 16 21.289 4.578 -9.424 112 HB3 SER 16 HB2 SER 16 21.646 4.658 -11.147 113 HG SER 16 HG SER 16 19.583 4.556 -11.526 114 H GLY 17 H GLY 17 23.326 2.703 -8.555 115 HA2 GLY 17 HA3 GLY 17 25.572 1.825 -8.682 116 HA3 GLY 17 HA2 GLY 17 25.584 2.197 -10.406 117 H GLY 18 H GLY 18 24.422 4.262 -7.773 118 HA2 GLY 18 HA3 GLY 18 26.653 6.139 -8.313 119 HA3 GLY 18 HA2 GLY 18 24.995 6.689 -8.203 120 H THR 19 H THR 19 27.078 4.570 -6.275 121 HA THR 19 HA THR 19 25.954 5.539 -3.806 122 HB THR 19 HB THR 19 27.200 3.837 -2.752 123 HG1 THR 19 HG1 THR 19 28.826 3.354 -4.970 124 HG21 THR 19 HG21 THR 19 26.843 1.845 -4.154 125 HG22 THR 19 HG22 THR 19 26.780 2.852 -5.600 126 HG23 THR 19 HG23 THR 19 25.501 2.970 -4.392 127 H ILE 20 H ILE 20 27.642 6.038 -2.018 128 HA ILE 20 HA ILE 20 29.014 8.435 -2.783 129 HB ILE 20 HB ILE 20 29.135 6.900 -0.171 130 HG12 ILE 20 HG13 ILE 20 27.323 9.214 -0.904 131 HG13 ILE 20 HG12 ILE 20 26.804 7.532 -0.992 132 HG21 ILE 20 HG21 ILE 20 29.632 9.194 0.727 133 HG22 ILE 20 HG22 ILE 20 29.734 9.772 -0.937 134 HG23 ILE 20 HG23 ILE 20 30.884 8.572 -0.347 135 HD11 ILE 20 HD11 ILE 20 27.453 7.277 1.425 136 HD12 ILE 20 HD12 ILE 20 26.122 8.403 1.161 137 HD13 ILE 20 HD13 ILE 20 27.745 9.016 1.479 138 H GLY 21 H GLY 21 29.864 5.099 -2.401 139 HA2 GLY 21 HA3 GLY 21 32.644 5.372 -1.953 140 HA3 GLY 21 HA2 GLY 21 31.855 3.955 -2.628 141 H CYS 22 H CYS 22 30.684 5.478 -4.825 142 HA CYS 22 HA CYS 22 31.186 5.774 -7.055 143 HB2 CYS 22 HB3 CYS 22 31.672 8.002 -6.346 144 HB3 CYS 22 HB2 CYS 22 33.226 7.515 -5.670 145 H GLY 23 H GLY 23 31.821 3.795 -7.811 146 HA2 GLY 23 HA3 GLY 23 33.820 3.067 -9.195 147 HA3 GLY 23 HA2 GLY 23 34.706 3.110 -7.676 148 H GLY 24 H GLY 24 32.769 1.255 -9.728 149 HA2 GLY 24 HA3 GLY 24 32.025 -0.922 -9.642 150 HA3 GLY 24 HA2 GLY 24 33.184 -1.152 -8.336 151 H GLY 25 H GLY 25 30.448 1.093 -8.347 152 HA2 GLY 25 HA3 GLY 25 29.576 0.475 -5.777 153 HA3 GLY 25 HA2 GLY 25 28.570 1.217 -7.015 154 H ALA 26 H ALA 26 29.527 -1.566 -8.402 155 HA ALA 26 HA ALA 26 27.010 -2.803 -8.178 156 HB1 ALA 26 HB1 ALA 26 28.325 -3.274 -10.111 157 HB2 ALA 26 HB2 ALA 26 28.229 -4.784 -9.206 158 HB3 ALA 26 HB3 ALA 26 29.692 -3.803 -9.131 159 H VAL 27 H VAL 27 30.130 -3.500 -6.705 160 HA VAL 27 HA VAL 27 29.266 -5.712 -5.142 161 HB VAL 27 HB VAL 27 31.401 -5.593 -4.098 162 HG11 VAL 27 HG11 VAL 27 31.406 -6.282 -6.448 163 HG12 VAL 27 HG12 VAL 27 32.909 -5.464 -6.021 164 HG13 VAL 27 HG13 VAL 27 31.667 -4.607 -6.933 165 HG21 VAL 27 HG21 VAL 27 32.877 -3.469 -4.776 166 HG22 VAL 27 HG22 VAL 27 31.849 -3.446 -3.349 167 HG23 VAL 27 HG23 VAL 27 31.296 -2.692 -4.841 168 H ALA 28 H ALA 28 28.973 -2.291 -4.758 169 HA ALA 28 HA ALA 28 28.864 -1.982 -1.990 170 HB1 ALA 28 HB1 ALA 28 27.670 -0.009 -2.382 171 HB2 ALA 28 HB2 ALA 28 26.958 -0.629 -3.862 172 HB3 ALA 28 HB3 ALA 28 28.668 -0.217 -3.808 173 H CYS 29 H CYS 29 26.526 -3.413 -4.168 174 HA CYS 29 HA CYS 29 24.274 -3.323 -2.544 175 HB2 CYS 29 HB3 CYS 29 25.197 -5.431 -4.487 176 HB3 CYS 29 HB2 CYS 29 23.614 -5.417 -3.729 177 H GLN 30 H GLN 30 26.770 -5.856 -2.792 178 HA GLN 30 HA GLN 30 25.619 -7.486 -0.777 179 HB2 GLN 30 HB3 GLN 30 27.431 -8.931 -1.096 180 HB3 GLN 30 HB2 GLN 30 27.435 -8.053 -2.616 181 HG2 GLN 30 HG3 GLN 30 29.073 -6.428 -1.314 182 HG3 GLN 30 HG2 GLN 30 29.322 -7.816 -0.287 183 HE21 GLN 30 HE21 GLN 30 29.061 -9.738 -2.592 184 HE22 GLN 30 HE22 GLN 30 30.490 -9.539 -3.487 185 H ASN 31 H ASN 31 27.869 -4.868 -0.710 186 HA ASN 31 HA ASN 31 29.035 -5.253 1.802 187 HB2 ASN 31 HB3 ASN 31 28.529 -2.836 0.056 188 HB3 ASN 31 HB2 ASN 31 29.349 -2.734 1.594 189 HD21 ASN 31 HD21 ASN 31 29.773 -4.021 -1.705 190 HD22 ASN 31 HD22 ASN 31 31.369 -4.579 -1.500 191 H TYR 32 H TYR 32 26.002 -3.936 0.837 192 HA TYR 32 HA TYR 32 25.238 -2.656 3.223 193 HB2 TYR 32 HB3 TYR 32 23.915 -2.345 1.240 194 HB3 TYR 32 HB2 TYR 32 23.629 -4.080 1.120 195 HD1 TYR 32 HD2 TYR 32 22.344 -5.255 2.851 196 HD2 TYR 32 HD1 TYR 32 22.511 -0.973 2.679 197 HE1 TYR 32 HE2 TYR 32 20.391 -5.154 4.294 198 HE2 TYR 32 HE1 TYR 32 20.515 -0.853 4.142 199 HH TYR 32 HH TYR 32 19.404 -3.380 5.952 200 H ARG 33 H ARG 33 24.937 -6.076 2.235 201 HA ARG 33 HA ARG 33 23.447 -6.865 4.506 202 HB2 ARG 33 HB3 ARG 33 24.561 -8.149 2.215 203 HB3 ARG 33 HB2 ARG 33 25.193 -9.022 3.614 204 HG2 ARG 33 HG3 ARG 33 23.151 -10.111 3.070 205 HG3 ARG 33 HG2 ARG 33 22.800 -9.120 4.486 206 HD2 ARG 33 HD3 ARG 33 21.059 -9.020 2.583 207 HD3 ARG 33 HD2 ARG 33 21.649 -7.463 3.165 208 HE ARG 33 HE ARG 33 23.055 -8.621 0.874 209 HH11 ARG 33 HH21 ARG 33 20.644 -6.437 2.087 210 HH12 ARG 33 HH22 ARG 33 20.642 -5.446 0.667 211 HH21 ARG 33 HH11 ARG 33 23.059 -7.316 -0.966 212 HH22 ARG 33 HH12 ARG 33 22.006 -5.945 -1.059 213 H GLN 34 H GLN 34 26.886 -6.700 3.847 214 HA GLN 34 HA GLN 34 27.750 -7.882 6.298 215 HB2 GLN 34 HB3 GLN 34 29.281 -5.863 4.687 216 HB3 GLN 34 HB2 GLN 34 29.917 -7.197 5.640 217 HG2 GLN 34 HG3 GLN 34 28.885 -8.808 4.098 218 HG3 GLN 34 HG2 GLN 34 28.236 -7.484 3.142 219 HE21 GLN 34 HE21 GLN 34 29.457 -6.970 1.381 220 HE22 GLN 34 HE22 GLN 34 31.145 -7.184 1.258 221 H PHE 35 H PHE 35 27.176 -4.522 5.294 222 HA PHE 35 HA PHE 35 28.036 -3.544 7.926 223 HB2 PHE 35 HB3 PHE 35 27.180 -2.194 5.376 224 HB3 PHE 35 HB2 PHE 35 27.327 -1.280 6.873 225 HD1 PHE 35 HD2 PHE 35 29.675 -1.979 8.238 226 HD2 PHE 35 HD1 PHE 35 29.075 -2.100 3.958 227 HE1 PHE 35 HE2 PHE 35 32.110 -1.850 7.879 228 HE2 PHE 35 HE1 PHE 35 31.515 -1.980 3.629 229 HZ PHE 35 HZ PHE 35 33.037 -1.853 5.580 230 H CYS 36 H CYS 36 25.100 -3.297 5.896 231 HA CYS 36 HA CYS 36 23.564 -2.804 8.345 232 HB2 CYS 36 HB3 CYS 36 23.214 -2.108 5.453 233 HB3 CYS 36 HB2 CYS 36 21.783 -2.258 6.468 234 H ARG 37 H ARG 37 22.933 -4.690 9.199 235 HA ARG 37 HA ARG 37 22.413 -7.047 7.678 236 HB2 ARG 37 HB3 ARG 37 23.090 -7.082 10.068 237 HB3 ARG 37 HB2 ARG 37 21.534 -6.374 10.499 238 HG2 ARG 37 HG3 ARG 37 20.375 -8.322 9.500 239 HG3 ARG 37 HG2 ARG 37 21.937 -9.033 9.091 240 HD2 ARG 37 HD3 ARG 37 21.085 -8.307 11.905 241 HD3 ARG 37 HD2 ARG 37 20.955 -9.925 11.222 242 HE ARG 37 HE ARG 37 23.401 -8.580 12.055 243 HH11 ARG 37 HH21 ARG 37 21.908 -11.123 10.240 244 HH12 ARG 37 HH22 ARG 37 23.327 -12.116 10.203 245 HH21 ARG 37 HH11 ARG 37 25.263 -9.878 12.009 246 HH22 ARG 37 HH12 ARG 37 25.226 -11.411 11.205 247 H2 BGC 101 H2 GLC 0 34.618 8.053 -10.033 248 H3 BGC 101 H3 GLC 0 36.180 5.593 -9.048 249 H4 BGC 101 H4 GLC 0 37.109 8.515 -9.171 250 H5 BGC 101 H5 GLC 0 36.407 6.809 -6.687 251 H6C1 BGC 101 H61 GLC 0 37.460 8.346 -5.430 252 H6C2 BGC 101 H62 GLC 0 38.126 9.070 -6.910 253 H1 BGC 101 H1 GLC 0 34.162 6.350 -7.481 254 HB BGC 101 HO2 GLC 0 32.956 6.441 -10.026 255 HC BGC 101 HO3 GLC 0 37.461 6.016 -10.738 256 HD BGC 101 HO4 GLC 0 38.963 7.579 -8.937 257 H6 BGC 101 HO6 GLC 0 36.438 10.116 -5.214
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