============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 6 1.000 -10.567 -5.441 3.847 -99.200 -91.000 PHE 27 1.000 -17.178 6.592 0.852 -99.200 -91.000 PHE 30 1.000 -15.363 -4.439 -1.560 -99.200 -91.000 TRP 31 1.040 -11.324 1.050 -6.611 -99.200 -91.000 TRP6 31 1.020 -9.924 1.724 -8.387 -99.200 -91.000 TRP 34 1.040 -15.178 -2.178 -15.367 -99.200 -91.000 TRP6 34 1.020 -13.789 -3.689 -14.206 -99.200 -91.000 HIS 37 0.900 -22.563 4.187 -10.626 -99.200 -91.000 PHE 42 1.000 -12.155 5.567 -6.831 -99.200 -91.000 TYR 44 0.840 -18.294 14.148 -7.814 -99.200 -91.000 TYR 49 0.840 -8.402 10.490 2.779 -99.200 -91.000 HIS 51 0.900 -14.540 18.499 6.422 -99.200 -91.000 PHE 52 1.000 -16.294 14.419 5.930 -99.200 -91.000 HIS 72 0.900 1.282 4.824 -11.588 -99.200 -91.000 PHE 74 1.000 -9.991 5.063 -11.816 -99.200 -91.000 TYR 78 0.840 -10.564 9.067 -13.720 -99.200 -91.000 PHE 82 1.000 -9.623 7.743 -2.730 -99.200 -91.000 TYR 96 0.840 -16.583 -6.420 3.281 -99.200 -91.000 PHE 105 1.000 -20.189 -3.467 1.399 -99.200 -91.000 HIS 127 0.900 -19.866 17.406 3.898 -99.200 -91.000 TYR 129 0.840 -24.196 8.161 1.412 -99.200 -91.000