============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 2 0.900 5.909 9.433 32.972 -99.200 -91.000 TYR 7 0.840 16.969 3.358 20.086 -99.200 -91.000 PHE 32 1.000 0.800 18.720 20.363 -99.200 -91.000 PHE 37 1.000 6.040 15.952 12.959 -99.200 -91.000 HIS 42 0.900 18.924 8.385 17.618 -99.200 -91.000 PHE 47 1.000 11.721 14.598 10.626 -99.200 -91.000 PHE 50 1.000 6.974 8.116 10.006 -99.200 -91.000 PHE 51 1.000 7.390 12.875 10.125 -99.200 -91.000 TYR 53 0.840 5.272 5.220 1.473 -99.200 -91.000 HIS 54 0.900 1.664 11.913 7.823 -99.200 -91.000 TYR 82 0.840 2.901 9.162 18.761 -99.200 -91.000 HIS 87 0.900 -2.182 9.267 13.457 -99.200 -91.000 TYR 94 0.840 -8.301 15.839 10.146 -99.200 -91.000 TYR 108 0.840 -13.658 -3.111 12.323 -99.200 -91.000 PHE 122 1.000 -8.684 -3.848 0.838 -99.200 -91.000 HIS 131 0.900 -1.525 -14.697 4.234 -99.200 -91.000 PHE 138 1.000 -8.470 -5.233 -4.467 -99.200 -91.000 HIS 144 0.900 -20.591 -1.390 1.704 -99.200 -91.000 PHE 146 1.000 -14.908 2.796 0.485 -99.200 -91.000 TRP 152 1.040 -1.978 2.317 -4.102 -99.200 -91.000 TRP6 152 1.020 -0.763 1.089 -5.723 -99.200 -91.000 PHE 160 1.000 3.956 6.061 6.698 -99.200 -91.000 PHE 161 1.000 -0.412 6.362 9.575 -99.200 -91.000 PHE 177 1.000 -1.163 13.979 19.485 -99.200 -91.000 PHE 178 1.000 -2.945 10.088 26.585 -99.200 -91.000