============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 1 0.900 31.678 65.602 1.888 -99.200 -91.000 PHE 6 1.000 26.295 70.600 -1.857 -99.200 -91.000 PHE 13 1.000 17.936 50.421 9.852 -99.200 -91.000 HIS 24 0.900 10.714 29.388 20.196 -99.200 -91.000 TYR 25 0.840 11.045 29.349 12.129 -99.200 -91.000 PHE 26 1.000 14.683 33.852 16.165 -99.200 -91.000 PHE 37 1.000 28.431 60.206 5.134 -99.200 -91.000 PHE 55 1.000 15.579 33.629 21.608 -99.200 -91.000 PHE 57 1.000 15.526 42.053 20.164 -99.200 -91.000 HIS 58 0.900 18.727 41.972 26.693 -99.200 -91.000