============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.716 8.797 -1.257 -99.200 -91.000 TYR 31 0.840 -7.375 8.764 -10.836 -99.200 -91.000 TRP 32 1.040 -13.156 1.096 -10.514 -99.200 -91.000 TRP6 32 1.020 -12.964 -1.284 -10.709 -99.200 -91.000 TYR 33 0.840 -5.811 2.924 -14.208 -99.200 -91.000 HIS 39 0.900 3.738 -6.961 -19.981 -99.200 -91.000 HIS 45 0.900 -16.840 3.939 -14.184 -99.200 -91.000 TYR 46 0.840 -12.562 8.720 -16.610 -99.200 -91.000 TYR 48 0.840 -15.262 14.866 -10.242 -99.200 -91.000 TYR 62 0.840 -19.092 -1.168 -17.967 -99.200 -91.000 PHE 72 1.000 -18.088 2.587 -9.523 -99.200 -91.000 TYR 87 0.840 -13.194 -7.154 -13.845 -99.200 -91.000 PHE 88 1.000 -6.563 -5.338 -7.759 -99.200 -91.000 PHE 100 1.000 -1.065 6.081 -2.446 -99.200 -91.000 PHE 101 1.000 -3.538 -0.926 -6.382 -99.200 -91.000 TYR 114 0.840 -14.907 -27.373 -31.740 -99.200 -91.000 TRP 150 1.040 22.554 -17.108 -8.323 -99.200 -91.000 TRP6 150 1.020 21.013 -18.757 -7.514 -99.200 -91.000 TYR 161 0.840 11.207 9.595 -22.789 -99.200 -91.000 PHE 166 1.000 4.425 11.558 -20.871 -99.200 -91.000 TYR 168 0.840 4.809 14.395 -9.446 -99.200 -91.000 PHE 169 1.000 7.084 10.885 -15.544 -99.200 -91.000 TRP 171 1.040 8.984 4.292 -12.357 -99.200 -91.000 TRP6 171 1.020 10.995 3.073 -12.816 -99.200 -91.000 TYR 172 0.840 1.293 1.862 -8.912 -99.200 -91.000 PHE 175 1.000 6.480 -5.262 -3.817 -99.200 -91.000 PHE 198 1.000 14.275 2.429 -6.358 -99.200 -91.000 PHE 201 1.000 20.987 7.142 -17.213 -99.200 -91.000 PHE 202 1.000 15.615 11.885 -19.191 -99.200 -91.000 HIS 212 0.900 21.926 1.892 -13.261 -99.200 -91.000 TYR 224 0.840 9.348 -3.605 -8.933 -99.200 -91.000 PHE 225 1.000 2.020 1.961 -13.667 -99.200 -91.000 PHE 232 1.000 -8.423 15.951 -17.576 -99.200 -91.000 PHE 237 1.000 -1.973 1.018 -19.741 -99.200 -91.000 TYR 248 0.840 18.322 -21.675 -16.158 -99.200 -91.000