============================================================================= 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 20 1.000 129.103 53.692 51.507 -99.200 -91.000 TRP 32 1.040 129.496 45.330 55.172 -99.200 -91.000 TRP6 32 1.020 130.667 45.776 53.172 -99.200 -91.000 HIS 43 0.900 116.077 56.356 63.635 -99.200 -91.000 PHE 45 1.000 122.292 54.724 55.600 -99.200 -91.000 HIS 46 0.900 117.858 61.172 53.509 -99.200 -91.000 HIS 48 0.900 121.740 65.321 53.603 -99.200 -91.000 PHE 50 1.000 127.498 71.178 48.707 -99.200 -91.000 HIS 63 0.900 117.642 64.148 50.840 -99.200 -91.000 PHE 64 1.000 125.799 63.339 44.332 -99.200 -91.000 HIS 71 0.900 113.636 61.998 49.607 -99.200 -91.000 HIS 80 0.900 116.442 64.339 45.718 -99.200 -91.000 HIS 110 0.900 126.683 62.831 37.707 -99.200 -91.000 HIS 120 0.900 117.989 63.080 57.852 -99.200 -91.000