============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. TYR 5 0.840 -7.880 52.036 -18.440 -99.200 -91.000 TYR 26 0.840 -7.352 56.446 -13.349 -99.200 -91.000 TYR 43 0.840 2.240 68.211 -5.421 -99.200 -91.000 PHE 46 1.000 -10.681 65.509 -12.117 -99.200 -91.000 PHE 49 1.000 -1.580 63.222 -19.462 -99.200 -91.000 TRP 51 1.040 1.106 62.003 -10.366 -99.200 -91.000 TRP6 51 1.020 1.481 59.680 -10.117 -99.200 -91.000 TRP 58 1.040 0.006 55.954 -13.204 -99.200 -91.000 TRP6 58 1.020 -2.340 56.022 -13.409 -99.200 -91.000 PHE 61 1.000 2.046 49.767 -12.251 -99.200 -91.000 TYR 66 0.840 -1.404 44.869 -9.918 -99.200 -91.000 PHE 77 1.000 -5.825 70.975 -7.040 -99.200 -91.000 PHE 83 1.000 -2.080 70.787 2.063 -99.200 -91.000 HIS 86 0.900 4.511 67.021 5.625 -99.200 -91.000 TRP 99 1.040 -14.678 53.835 0.503 -99.200 -91.000 TRP6 99 1.020 -13.876 53.864 -1.714 -99.200 -91.000 TRP 105 1.040 -14.199 48.701 -6.518 -99.200 -91.000 TRP6 105 1.020 -12.148 49.711 -5.941 -99.200 -91.000 PHE 113 1.000 1.512 53.858 -8.702 -99.200 -91.000 TYR 117 0.840 2.171 65.946 0.770 -99.200 -91.000 TRP 123 1.040 8.435 55.930 3.689 -99.200 -91.000 TRP6 123 1.020 9.008 53.669 4.020 -99.200 -91.000 TYR 146 0.840 14.781 69.161 12.235 -99.200 -91.000 TRP 150 1.040 9.075 70.243 5.327 -99.200 -91.000 TRP6 150 1.020 8.846 71.168 3.169 -99.200 -91.000 TYR 151 0.840 14.115 73.403 10.347 -99.200 -91.000 TRP 165 1.040 5.745 71.496 -1.517 -99.200 -91.000 TRP6 165 1.020 4.384 71.364 0.406 -99.200 -91.000 PHE 188 1.000 -3.518 82.069 -9.041 -99.200 -91.000 TRP 219 1.040 3.122 73.110 7.660 -99.200 -91.000 TRP6 219 1.020 4.595 73.245 5.814 -99.200 -91.000 HIS 227 0.900 7.319 74.311 16.522 -99.200 -91.000 TRP 234 1.040 10.049 69.948 13.153 -99.200 -91.000 TRP6 234 1.020 9.330 70.031 10.919 -99.200 -91.000 PHE 240 1.000 14.657 56.164 10.225 -99.200 -91.000 TRP 256 1.040 23.724 58.540 -7.094 -99.200 -91.000 TRP6 256 1.020 23.788 57.334 -5.067 -99.200 -91.000 TYR 257 0.840 24.319 65.311 -8.231 -99.200 -91.000 PHE 260 1.000 11.873 64.539 -0.145 -99.200 -91.000 PHE 268 1.000 17.681 48.785 0.771 -99.200 -91.000 TRP 284 1.040 17.536 60.191 -12.429 -99.200 -91.000 TRP6 284 1.020 16.779 58.157 -11.489 -99.200 -91.000 HIS 286 0.900 11.774 65.985 -5.335 -99.200 -91.000 PHE 298 1.000 25.365 62.490 -14.092 -99.200 -91.000 TYR 304 0.840 12.093 57.340 -13.223 -99.200 -91.000 HIS 313 0.900 7.641 51.078 -9.238 -99.200 -91.000 PHE 316 1.000 7.908 45.838 -4.054 -99.200 -91.000 PHE 317 1.000 3.134 47.872 -6.582 -99.200 -91.000 HIS 320 0.900 6.598 41.477 -1.891 -99.200 -91.000 PHE 337 1.000 24.243 56.599 -14.226 -99.200 -91.000 TRP 344 1.040 21.163 52.704 -14.870 -99.200 -91.000 TRP6 344 1.020 20.064 53.408 -12.905 -99.200 -91.000 TRP 350 1.040 22.671 52.467 0.895 -99.200 -91.000 TRP6 350 1.020 24.179 53.489 -0.602 -99.200 -91.000 TYR 357 0.840