============================================================================= 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 49.802 17.628 40.297 -99.200 -91.000 HIS 20 0.900 36.406 4.349 41.509 -99.200 -91.000 TYR 29 0.840 41.717 8.073 46.923 -99.200 -91.000 TYR 32 0.840 54.568 14.572 41.061 -99.200 -91.000 HIS 43 0.900 62.918 8.063 50.931 -99.200 -91.000 PHE 46 1.000 54.577 10.145 57.117 -99.200 -91.000 TYR 48 0.840 50.625 7.206 53.153 -99.200 -91.000 TYR 58 0.840 44.243 23.034 44.372 -99.200 -91.000 TRP 68 1.040 43.515 30.918 56.432 -99.200 -91.000 TRP6 68 1.020 44.595 31.371 54.376 -99.200 -91.000 TYR 77 0.840 40.322 26.987 60.681 -99.200 -91.000 PHE 99 1.000 52.848 26.128 51.607 -99.200 -91.000 PHE 103 1.000 55.145 18.737 45.358 -99.200 -91.000 TYR 132 0.840 41.125 37.991 30.473 -99.200 -91.000 PHE 143 1.000 50.671 36.916 39.692 -99.200 -91.000 PHE 144 1.000 46.124 37.133 36.760 -99.200 -91.000 PHE 152 1.000 51.073 39.691 35.119 -99.200 -91.000 TRP 156 1.040 41.756 41.800 40.939 -99.200 -91.000 TRP6 156 1.020 40.745 39.695 41.325 -99.200 -91.000 TYR 158 0.840 37.605 40.529 31.628 -99.200 -91.000 PHE 167 1.000 37.070 35.253 39.252 -99.200 -91.000 TYR 185 0.840 36.838 30.767 30.300 -99.200 -91.000 PHE 187 1.000 41.008 27.518 34.034 -99.200 -91.000 TYR 196 0.840 47.279 15.139 32.900 -99.200 -91.000 TYR 217 0.840 52.091 22.789 42.075 -99.200 -91.000 TRP 251 1.040 52.111 9.628 37.969 -99.200 -91.000 TRP6 251 1.020 50.281 8.139 37.795 -99.200 -91.000 TRP 252 1.040 52.405 16.666 33.650 -99.200 -91.000 TRP6 252 1.020 52.387 16.178 35.963 -99.200 -91.000 TYR 253 0.840 55.475 15.844 29.254 -99.200 -91.000