============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 6 1.000 20.086 29.682 20.121 -99.200 -91.000 TYR 16 0.840 20.641 24.174 19.490 -99.200 -91.000 PHE 19 1.000 15.708 27.949 19.423 -99.200 -91.000 TYR 35 0.840 4.900 3.061 21.005 -99.200 -91.000 TYR 49 0.840 0.269 30.299 10.687 -99.200 -91.000 TYR 72 0.840 8.283 21.697 5.264 -99.200 -91.000 TYR 76 0.840 14.289 35.901 5.594 -99.200 -91.000 TYR 80 0.840 16.319 47.848 4.054 -99.200 -91.000 TYR 86 0.840 5.491 41.701 3.733 -99.200 -91.000 HIS 87 0.900 13.224 39.182 3.676 -99.200 -91.000 PHE 89 1.000 11.189 29.450 1.913 -99.200 -91.000 TYR 118 0.840 15.010 31.027 -2.996 -99.200 -91.000 TYR 122 0.840 16.175 20.311 3.722 -99.200 -91.000 PHE 157 1.000 19.033 39.330 1.504 -99.200 -91.000 PHE 165 1.000 18.795 33.070 7.997 -99.200 -91.000 PHE 179 1.000 14.183 13.643 12.706 -99.200 -91.000 TYR 181 0.840 22.163 11.546 14.960 -99.200 -91.000 PHE 190 1.000 26.233 25.576 21.282 -99.200 -91.000 PHE 194 1.000 26.986 20.107 12.917 -99.200 -91.000 TRP 207 1.040 9.489 14.601 11.560 -99.200 -91.000 TRP6 207 1.020 8.003 16.355 11.010 -99.200 -91.000 HIS 215 0.900 -0.928 7.261 14.850 -99.200 -91.000 TRP 236 1.040 18.902 2.284 12.540 -99.200 -91.000 TRP6 236 1.020 18.364 4.482 13.232 -99.200 -91.000 TYR 253 0.840 -2.829 15.365 13.080 -99.200 -91.000