============================================================================= 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 9 0.900 0.507 -3.016 41.186 -99.200 -91.000 TYR 47 0.840 1.278 -1.595 18.246 -99.200 -91.000 PHE 71 1.000 18.552 -10.423 12.717 -99.200 -91.000 PHE 83 1.000 13.223 -1.376 24.741 -99.200 -91.000 PHE 96 1.000 13.377 -7.065 24.193 -99.200 -91.000 TYR 97 0.840 17.064 -6.516 32.485 -99.200 -91.000 PHE 98 1.000 9.235 -4.954 33.631 -99.200 -91.000