============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 18.001 31.851 58.971 -99.200 -91.000 HIS 12 0.900 13.608 25.578 69.025 -99.200 -91.000 PHE 15 1.000 19.227 14.642 64.624 -99.200 -91.000 PHE 17 1.000 21.178 12.419 58.162 -99.200 -91.000 TYR 20 0.840 27.002 14.313 50.147 -99.200 -91.000 TRP 33 1.040 19.852 8.894 54.803 -99.200 -91.000 TRP6 33 1.020 19.510 11.025 53.832 -99.200 -91.000 TRP 46 1.040 21.052 24.863 60.261 -99.200 -91.000 TRP6 46 1.020 20.671 26.022 58.236 -99.200 -91.000 HIS 53 0.900 21.416 20.085 54.655 -99.200 -91.000 TRP 54 1.040 16.114 25.606 56.867 -99.200 -91.000 TRP6 54 1.020 15.616 25.837 59.168 -99.200 -91.000 TYR 66 0.840 10.709 16.977 46.753 -99.200 -91.000 TYR 69 0.840 5.401 25.524 40.578 -99.200 -91.000 HIS 71 0.900 6.186 30.258 49.171 -99.200 -91.000 PHE 72 1.000 9.654 24.858 50.439 -99.200 -91.000 PHE 78 1.000 22.324 16.775 43.094 -99.200 -91.000 TYR 87 0.840 21.310 18.939 39.194 -99.200 -91.000 PHE 89 1.000 23.509 17.079 35.172 -99.200 -91.000 PHE 102 1.000 13.955 23.152 28.110 -99.200 -91.000 PHE 141 1.000 22.541 -8.396 42.290 -99.200 -91.000 TYR 145 0.840 21.030 -8.887 37.113 -99.200 -91.000 PHE 149 1.000 18.423 -6.034 33.738 -99.200 -91.000 PHE 154 1.000 21.864 5.976 29.697 -99.200 -91.000 HIS 167 0.900 35.834 9.474 31.913 -99.200 -91.000 TYR 170 0.840 35.991 8.676 39.491 -99.200 -91.000 PHE 184 1.000 26.997 18.512 40.325 -99.200 -91.000 TYR 192 0.840 27.244 19.585 31.054 -99.200 -91.000 TYR 194 0.840 31.167 10.216 26.640 -99.200 -91.000 PHE 247 1.000 14.698 -0.747 44.596 -99.200 -91.000 PHE 250 1.000 20.403 0.382 49.108 -99.200 -91.000 PHE 254 1.000 13.670 -8.066 52.451 -99.200 -91.000 HIS 261 0.900 10.091 -11.161 53.400 -99.200 -91.000 PHE 283 1.000 15.314 -2.903 51.502 -99.200 -91.000 TYR 296 0.840 6.454 29.289 52.784 -99.200 -91.000 PHE 298 1.000 7.131 23.702 54.626 -99.200 -91.000 HIS 299 0.900 4.174 21.927 57.938 -99.200 -91.000 HIS 328 0.900 8.335 -5.408 61.450 -99.200 -91.000 PHE 331 1.000 7.862 -9.187 49.277 -99.200 -91.000 HIS 338 0.900 6.754 4.582 46.546 -99.200 -91.000 PHE 341 1.000 10.243 4.965 40.863 -99.200 -91.000 HIS 343 0.900 4.096 14.574 46.006 -99.200 -91.000 HIS 346 0.900 11.627 19.402 38.565 -99.200 -91.000 HIS 352 0.900 5.837 4.705 33.647 -99.200 -91.000 TRP 365 1.040 19.021 -14.146 41.632 -99.200 -91.000 TRP6 365 1.020 21.135 -13.391 40.877 -99.200 -91.000 PHE 372 1.000 19.353 -15.039 46.270 -99.200 -91.000 HIS 382 0.900 23.096 -0.666 53.084 -99.200 -91.000 TRP 397 1.040 24.344 -19.765 42.987 -99.200 -91.000 TRP6 397 1.020 25.044 -17.534 42.630 -99.200 -91.000