============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 3 0.900 -12.906 16.555 46.327 -99.200 -91.000 TYR 4 0.840 -6.677 21.053 54.972 -99.200 -91.000 PHE 10 1.000 3.616 24.514 52.215 -99.200 -91.000 PHE 12 1.000 2.727 16.072 44.550 -99.200 -91.000 TYR 13 0.840 6.852 26.177 45.004 -99.200 -91.000 TYR 23 0.840 19.166 15.693 42.371 -99.200 -91.000 TYR 26 0.840 25.439 17.634 47.544 -99.200 -91.000 TYR 30 0.840 30.119 16.739 38.857 -99.200 -91.000 TYR 34 0.840 15.879 18.607 39.101 -99.200 -91.000 TYR 37 0.840 20.689 13.989 38.133 -99.200 -91.000 PHE 58 1.000 6.489 13.113 31.706 -99.200 -91.000 TYR 76 0.840 29.535 16.176 30.246 -99.200 -91.000 PHE 109 1.000 15.502 11.956 46.072 -99.200 -91.000 PHE 112 1.000 14.912 15.804 50.817 -99.200 -91.000 PHE 129 1.000 -0.257 13.444 41.704 -99.200 -91.000