============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 33.858 -5.947 35.480 -99.200 -91.000 HIS 5 0.900 24.539 -1.600 24.534 -99.200 -91.000 HIS 12 0.900 25.530 5.000 35.308 -99.200 -91.000 TYR 25 0.840 24.553 -6.490 48.335 -99.200 -91.000 HIS 38 0.900 30.141 4.523 26.701 -99.200 -91.000 TRP 41 1.040 21.998 11.114 30.959 -99.200 -91.000 TRP6 41 1.020 19.887 11.780 31.818 -99.200 -91.000 HIS 45 0.900 23.652 14.428 36.382 -99.200 -91.000 HIS 50 0.900 14.335 7.865 34.782 -99.200 -91.000 HIS 52 0.900 12.798 6.060 40.364 -99.200 -91.000 HIS 62 0.900 25.498 4.866 50.789 -99.200 -91.000 TYR 71 0.840 22.516 14.749 26.508 -99.200 -91.000 HIS 78 0.900 20.018 22.841 34.929 -99.200 -91.000 HIS 85 0.900 10.082 13.781 39.360 -99.200 -91.000 TYR 95 0.840 22.096 15.656 51.345 -99.200 -91.000 PHE 105 1.000 20.896 23.454 25.229 -99.200 -91.000 TYR 112 0.840 15.564 23.301 30.969 -99.200 -91.000