============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -35.053 1.235 44.387 -99.200 -91.000 TYR 27 0.840 -29.311 7.915 40.234 -99.200 -91.000 HIS 32 0.900 -37.620 -0.068 26.957 -99.200 -91.000 TYR 33 0.840 -42.642 -3.824 29.741 -99.200 -91.000 HIS 34 0.900 -40.373 -5.337 21.860 -99.200 -91.000 PHE 80 1.000 -38.165 15.274 32.387 -99.200 -91.000 PHE 83 1.000 -39.911 7.899 39.157 -99.200 -91.000 PHE 96 1.000 -25.070 -11.258 20.320 -99.200 -91.000 TYR 97 0.840 -31.586 -10.473 14.882 -99.200 -91.000 PHE 122 1.000 -30.059 11.172 16.636 -99.200 -91.000 PHE 128 1.000 -30.831 12.930 30.074 -99.200 -91.000 PHE 152 1.000 -23.778 -12.594 16.008 -99.200 -91.000 TYR 155 0.840 -24.006 -6.792 18.677 -99.200 -91.000 HIS 160 0.900 -17.075 -0.452 15.028 -99.200 -91.000 TYR 176 0.840 -27.015 22.431 25.732 -99.200 -91.000 TRP 202 1.040 -18.078 -17.530 23.303 -99.200 -91.000 TRP6 202 1.020 -16.815 -15.781 22.280 -99.200 -91.000 PHE 224 1.000 -15.670 5.952 37.950 -99.200 -91.000 TYR 232 0.840 -11.993 17.526 33.536 -99.200 -91.000 HIS 248 0.900 -2.158 -14.625 20.252 -99.200 -91.000