============================================================================= 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. HIS 1 0.900 1.148 51.500 43.097 -99.200 -91.000 PHE 20 1.000 18.460 51.118 48.950 -99.200 -91.000 HIS 38 0.900 14.487 57.413 71.284 -99.200 -91.000 TYR 48 0.840 8.206 59.530 65.010 -99.200 -91.000 TRP 61 1.040 13.841 65.585 56.408 -99.200 -91.000 TRP6 61 1.020 15.519 66.901 57.412 -99.200 -91.000 TYR 70 0.840 1.512 48.100 66.624 -99.200 -91.000 HIS 76 0.900 10.519 58.006 48.386 -99.200 -91.000 PHE 80 1.000 26.618 58.115 55.995 -99.200 -91.000 PHE 89 1.000 5.583 59.268 50.774 -99.200 -91.000 PHE 98 1.000 -0.743 44.271 63.751 -99.200 -91.000 HIS 101 0.900 2.112 46.817 56.056 -99.200 -91.000 HIS 109 0.900 7.796 42.069 49.579 -99.200 -91.000