============================================================================= 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. PHE 5 1.000 -15.598 53.953 176.566 -99.200 -91.000 PHE 8 1.000 -26.268 49.755 168.410 -99.200 -91.000 TYR 9 0.840 -18.729 46.108 164.362 -99.200 -91.000 HIS 24 0.900 -7.235 58.517 180.261 -99.200 -91.000 PHE 31 1.000 -13.626 58.667 188.631 -99.200 -91.000 TYR 39 0.840 -4.611 50.491 183.297 -99.200 -91.000 HIS 45 0.900 -22.121 45.030 171.461 -99.200 -91.000 TYR 59 0.840 -32.245 60.703 179.627 -99.200 -91.000 PHE 83 1.000 -16.591 59.292 184.135 -99.200 -91.000 TYR 84 0.840 -22.058 59.198 186.803 -99.200 -91.000 TRP 114 1.040 -8.180 47.782 190.913 -99.200 -91.000 TRP6 114 1.020 -8.979 48.231 188.719 -99.200 -91.000 PHE 116 1.000 -3.713 48.883 187.899 -99.200 -91.000 PHE 123 1.000 -4.485 50.734 193.104 -99.200 -91.000