============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 12 0.900 98.016 97.900 68.495 -99.200 -91.000 HIS 14 0.900 100.195 107.358 69.676 -99.200 -91.000 PHE 19 1.000 100.427 97.095 60.473 -99.200 -91.000 TYR 20 0.840 106.126 90.987 57.071 -99.200 -91.000 TRP 34 1.040 100.568 68.347 51.715 -99.200 -91.000 TRP6 34 1.020 101.946 69.393 50.097 -99.200 -91.000 PHE 38 1.000 100.183 67.503 46.539 -99.200 -91.000 HIS 44 0.900 109.935 65.840 56.247 -99.200 -91.000 TYR 45 0.840 107.354 76.173 56.255 -99.200 -91.000 PHE 66 1.000 108.789 71.780 61.333 -99.200 -91.000 PHE 89 1.000 121.832 69.994 57.512 -99.200 -91.000 HIS 91 0.900 122.470 73.619 51.120 -99.200 -91.000 PHE 101 1.000 123.107 71.732 66.203 -99.200 -91.000 PHE 112 1.000 124.209 61.151 47.982 -99.200 -91.000 PHE 116 1.000 135.823 66.018 46.346 -99.200 -91.000 HIS 122 0.900 133.534 56.370 55.690 -99.200 -91.000 TYR 124 0.840 134.169 65.415 59.790 -99.200 -91.000 HIS 125 0.900 124.743 62.336 60.864 -99.200 -91.000 PHE 149 1.000 122.044 73.781 45.791 -99.200 -91.000 HIS 158 0.900 131.552 58.026 40.784 -99.200 -91.000 TYR 162 0.840 133.196 57.934 46.943 -99.200 -91.000 PHE 175 1.000 111.058 65.542 41.826 -99.200 -91.000 HIS 176 0.900 112.468 72.893 44.660 -99.200 -91.000 TYR 187 0.840 106.333 69.732 40.670 -99.200 -91.000 TYR 188 0.840 103.845 61.349 34.189 -99.200 -91.000 PHE 198 1.000 112.846 53.764 45.252 -99.200 -91.000 HIS 206 0.900 122.990 52.375 48.293 -99.200 -91.000 TYR 209 0.840 113.133 53.885 53.908 -99.200 -91.000 HIS 218 0.900 103.361 79.975 43.194 -99.200 -91.000 TYR 226 0.840 98.008 74.473 38.125 -99.200 -91.000 TYR 230 0.840 100.402 65.122 34.341 -99.200 -91.000 PHE 238 1.000 106.465 57.029 35.995 -99.200 -91.000 PHE 239 1.000 108.884 56.391 42.919 -99.200 -91.000 PHE 253 1.000 99.755 74.002 49.155 -99.200 -91.000 PHE 254 1.000 101.739 73.558 53.840 -99.200 -91.000 HIS 257 0.900 97.794 82.369 49.322 -99.200 -91.000 TYR 258 0.840 101.938 82.959 59.260 -99.200 -91.000 TYR 275 0.840 98.978 111.868 40.671 -99.200 -91.000 TYR 277 0.840 101.549 107.976 45.494 -99.200 -91.000 PHE 278 1.000 110.505 108.182 46.934 -99.200 -91.000 PHE 279 1.000 104.026 102.882 49.243 -99.200 -91.000 TYR 284 0.840 118.663 97.134 48.646 -99.200 -91.000 PHE 287 1.000 106.969 95.308 49.556 -99.200 -91.000 PHE 292 1.000 117.403 88.523 45.024 -99.200 -91.000 TYR 311 0.840 91.702 102.661 40.556 -99.200 -91.000 TYR 317 0.840 110.369 105.724 42.707 -99.200 -91.000 HIS 329 0.900 110.484 99.748 37.942 -99.200 -91.000 HIS 337 0.900 95.705 112.363 49.365 -99.200 -91.000 TRP 341 1.040 99.171 103.325 58.073 -99.200 -91.000 TRP6 341 1.020 101.105 102.066 58.591 -99.200 -91.000 TYR 343 0.840 95.400 94.518 52.776 -99.200 -91.000 PHE 344 1.000 102.419 96.311 48.466 -99.200 -91.000 TRP 347 1.040 105.213 90.945 50.603 -99.200 -91.000 TRP6 347 1.020 104.978 90.907 48.245 -99.200 -91.000 TYR 350 0.840 111.096 81.483 49.311 -99.200 -91.000 PHE 358 1.000 121.917 99.673 51.183 -99.200 -91.000 PHE 361 1.000 115.176 104.017 55.702 -99.200 -91.000 TYR 364 0.840 109.955 92.308 60.108 -99.200 -91.000 TYR 367 0.840 100.307 94.864 65.348 -99.200 -91.000 TYR 368 0.840 102.419 86.351 65.335 -99.200 -91.000