============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 50.090 17.533 39.941 -99.200 -91.000 HIS 20 0.900 36.519 4.421 41.227 -99.200 -91.000 TYR 29 0.840 41.860 8.117 46.582 -99.200 -91.000 TYR 32 0.840 54.749 14.445 40.711 -99.200 -91.000 HIS 43 0.900 63.098 8.010 50.691 -99.200 -91.000 PHE 46 1.000 54.685 10.070 56.797 -99.200 -91.000 TYR 48 0.840 50.705 7.203 52.793 -99.200 -91.000 TYR 58 0.840 44.510 23.110 43.961 -99.200 -91.000 TRP 68 1.040 43.740 30.908 55.942 -99.200 -91.000 TRP6 68 1.020 44.865 31.299 53.900 -99.200 -91.000 TYR 77 0.840 40.546 27.029 60.215 -99.200 -91.000 PHE 99 1.000 53.157 26.070 51.208 -99.200 -91.000 PHE 103 1.000 55.330 18.631 44.965 -99.200 -91.000 TYR 132 0.840 41.472 38.057 30.296 -99.200 -91.000 PHE 143 1.000 51.080 36.843 39.666 -99.200 -91.000 PHE 144 1.000 46.525 37.133 36.550 -99.200 -91.000 PHE 152 1.000 51.357 39.637 35.008 -99.200 -91.000 TRP 156 1.040 42.077 41.696 40.793 -99.200 -91.000 TRP6 156 1.020 41.075 39.575 41.108 -99.200 -91.000 TYR 158 0.840 37.913 40.435 31.436 -99.200 -91.000 PHE 167 1.000 37.456 35.271 38.989 -99.200 -91.000 TYR 185 0.840 37.115 30.868 30.167 -99.200 -91.000 TYR 187 0.840 41.266 27.647 33.775 -99.200 -91.000 TYR 196 0.840 47.637 15.051 32.661 -99.200 -91.000 TYR 217 0.840 52.390 22.691 41.732 -99.200 -91.000 TRP 251 1.040 52.232 9.538 37.605 -99.200 -91.000 TRP6 251 1.020 50.355 8.111 37.415 -99.200 -91.000 TRP 252 1.040 52.723 16.601 33.272 -99.200 -91.000 TRP6 252 1.020 52.595 16.096 35.576 -99.200 -91.000 TYR 253 0.840 55.781 15.534 28.840 -99.200 -91.000