============================================================================= 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 20 0.900 38.975 14.351 12.255 -99.200 -91.000 TYR 29 0.840 39.528 29.313 9.936 -99.200 -91.000 PHE 54 1.000 10.630 28.498 10.139 -99.200 -91.000 HIS 61 0.900 28.585 24.292 21.343 -99.200 -91.000 TYR 85 0.840 23.163 37.720 12.612 -99.200 -91.000 HIS 105 0.900 48.990 36.380 16.355 -99.200 -91.000 PHE 129 1.000 3.335 23.871 34.560 -99.200 -91.000