============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 7 0.900 26.043 -2.508 59.191 -99.200 -91.000 PHE 12 1.000 20.554 -11.829 53.843 -99.200 -91.000 HIS 15 0.900 16.566 -4.060 53.722 -99.200 -91.000 PHE 30 1.000 26.661 -13.235 51.167 -99.200 -91.000 TRP 34 1.040 38.905 -7.293 59.143 -99.200 -91.000 TRP6 34 1.020 39.621 -5.554 60.561 -99.200 -91.000 PHE 45 1.000 26.541 -4.739 45.067 -99.200 -91.000 TYR 48 0.840 27.336 -2.642 37.494 -99.200 -91.000 PHE 52 1.000 21.131 -2.259 35.976 -99.200 -91.000 PHE 57 1.000 21.989 -3.421 42.687 -99.200 -91.000 TYR 72 0.840 22.029 -16.987 51.211 -99.200 -91.000 PHE 80 1.000 29.968 -8.491 43.712 -99.200 -91.000 PHE 82 1.000 24.211 -11.630 40.272 -99.200 -91.000 HIS 98 0.900 25.229 -3.444 32.548 -99.200 -91.000