============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 28 0.900 -0.113 24.023 -2.804 -99.200 -91.000 HIS 45 0.900 -0.396 31.571 1.569 -99.200 -91.000 HIS 53 0.900 6.719 44.898 -2.421 -99.200 -91.000 PHE 54 1.000 5.495 44.018 4.729 -99.200 -91.000 TYR 59 0.840 15.727 36.371 5.227 -99.200 -91.000 TRP 74 1.040 3.701 17.242 5.622 -99.200 -91.000 TRP6 74 1.020 2.426 18.308 7.306 -99.200 -91.000