============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 1 0.900 -75.654 71.827 161.060 -99.200 -91.000 HIS 2 0.900 -81.741 75.107 154.998 -99.200 -91.000 TRP 11 1.040 -78.610 59.440 150.640 -99.200 -91.000 TRP6 11 1.020 -76.748 60.227 151.859 -99.200 -91.000 TYR 13 0.840 -78.562 65.752 151.018 -99.200 -91.000 TYR 20 0.840 -81.379 69.765 134.047 -99.200 -91.000 TYR 43 0.840 -71.365 70.100 112.318 -99.200 -91.000 HIS 52 0.900 -71.057 59.129 123.875 -99.200 -91.000 HIS 62 0.900 -80.615 58.244 136.042 -99.200 -91.000 TYR 99 0.840 -56.142 68.719 137.576 -99.200 -91.000 HIS 113 0.900 -76.485 71.671 134.767 -99.200 -91.000 TRP 119 1.040 -55.317 65.595 141.352 -99.200 -91.000 TRP6 119 1.020 -53.823 64.315 142.670 -99.200 -91.000 HIS 133 0.900 -69.702 83.209 142.967 -99.200 -91.000 TYR 134 0.840 -70.217 80.287 139.658 -99.200 -91.000 HIS 142 0.900 -57.759 57.985 148.318 -99.200 -91.000 TYR 149 0.840 -53.223 53.968 149.717 -99.200 -91.000 TYR 161 0.840 -64.344 62.469 157.774 -99.200 -91.000 PHE 185 1.000 -58.066 58.383 139.017 -99.200 -91.000 TYR 207 0.840 -70.339 64.672 153.743 -99.200 -91.000 PHE 218 1.000 -61.119 47.441 139.363 -99.200 -91.000 HIS 221 0.900 -54.453 41.786 138.542 -99.200 -91.000 PHE 248 1.000 -74.574 60.706 142.707 -99.200 -91.000 HIS 252 0.900 -65.782 54.419 129.679 -99.200 -91.000