============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 13 1.000 -12.235 31.983 7.336 -99.200 -91.000 PHE 27 1.000 -17.584 44.802 4.899 -99.200 -91.000 HIS 33 0.900 -16.961 26.940 13.295 -99.200 -91.000 HIS 44 0.900 -14.075 30.514 12.898 -99.200 -91.000 TRP 46 1.040 -13.201 37.884 9.463 -99.200 -91.000 TRP6 46 1.020 -12.946 40.229 9.443 -99.200 -91.000 TYR 66 0.840 -5.207 30.040 20.814 -99.200 -91.000 HIS 77 0.900 -10.415 41.285 18.335 -99.200 -91.000 PHE 91 1.000 -13.707 46.627 9.024 -99.200 -91.000 TYR 100 0.840 -5.774 46.735 4.394 -99.200 -91.000 PHE 102 1.000 -11.224 36.762 5.325 -99.200 -91.000 PHE 103 1.000 -4.976 36.838 11.104 -99.200 -91.000 HIS 108 0.900 -2.102 29.458 16.182 -99.200 -91.000