============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 23 0.900 -34.960 1.225 44.469 -99.200 -91.000 TYR 27 0.840 -29.223 7.926 40.356 -99.200 -91.000 HIS 32 0.900 -37.515 -0.157 27.089 -99.200 -91.000 TYR 33 0.840 -42.497 -3.991 29.991 -99.200 -91.000 HIS 34 0.900 -40.082 -5.513 22.037 -99.200 -91.000 PHE 79 1.000 -38.009 15.380 32.653 -99.200 -91.000 PHE 82 1.000 -39.732 7.974 39.269 -99.200 -91.000 PHE 95 1.000 -25.192 -11.222 20.414 -99.200 -91.000 TYR 96 0.840 -31.563 -10.526 15.079 -99.200 -91.000 PHE 121 1.000 -29.973 11.108 16.763 -99.200 -91.000 PHE 127 1.000 -30.788 12.896 30.161 -99.200 -91.000 PHE 150 1.000 -23.657 -12.766 16.054 -99.200 -91.000 TYR 153 0.840 -23.995 -6.835 18.779 -99.200 -91.000 HIS 158 0.900 -17.074 -0.357 15.069 -99.200 -91.000 TYR 174 0.840 -26.998 22.383 25.765 -99.200 -91.000 TRP 200 1.040 -18.059 -17.761 23.466 -99.200 -91.000 TRP6 200 1.020 -17.007 -16.007 22.296 -99.200 -91.000 PHE 222 1.000 -15.545 6.003 38.085 -99.200 -91.000 TYR 230 0.840 -11.936 17.651 33.610 -99.200 -91.000 HIS 246 0.900 -2.113 -14.421 20.187 -99.200 -91.000