============================================================================= 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 -35.405 1.287 44.465 -99.200 -91.000 TYR 27 0.840 -29.600 7.880 40.278 -99.200 -91.000 HIS 32 0.900 -37.791 -0.044 26.981 -99.200 -91.000 TYR 33 0.840 -42.854 -3.792 29.898 -99.200 -91.000 HIS 34 0.900 -40.393 -5.414 21.964 -99.200 -91.000 PHE 80 1.000 -38.503 15.290 32.620 -99.200 -91.000 PHE 83 1.000 -40.177 7.717 39.288 -99.200 -91.000 PHE 96 1.000 -25.077 -11.132 20.248 -99.200 -91.000 TYR 97 0.840 -31.653 -10.405 14.945 -99.200 -91.000 PHE 123 1.000 -30.233 11.044 16.619 -99.200 -91.000 PHE 129 1.000 -31.053 12.855 30.162 -99.200 -91.000 PHE 152 1.000 -23.858 -12.500 15.878 -99.200 -91.000 TYR 155 0.840 -24.252 -6.794 18.660 -99.200 -91.000 HIS 160 0.900 -17.341 -0.415 15.016 -99.200 -91.000 TYR 176 0.840 -27.467 22.178 25.814 -99.200 -91.000 TRP 202 1.040 -18.104 -17.252 23.154 -99.200 -91.000 TRP6 202 1.020 -17.002 -15.363 22.245 -99.200 -91.000 PHE 224 1.000 -15.938 5.894 38.119 -99.200 -91.000 TYR 232 0.840 -12.253 17.544 33.692 -99.200 -91.000 HIS 248 0.900 -2.346 -14.507 20.235 -99.200 -91.000