============================================================================= 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. TYR 38 0.840 60.851 36.197 -13.236 -99.200 -91.000 TRP 39 1.040 69.831 30.340 -15.804 -99.200 -91.000 TRP6 39 1.020 71.700 30.938 -14.434 -99.200 -91.000 TYR 40 0.840 70.649 35.355 -17.987 -99.200 -91.000 PHE 41 1.000 69.110 40.565 -14.156 -99.200 -91.000 HIS 57 0.900 80.293 59.873 -10.594 -99.200 -91.000 TRP 69 1.040 90.484 68.855 0.351 -99.200 -91.000 TRP6 69 1.020 88.161 69.009 0.800 -99.200 -91.000 HIS 70 0.900 86.549 72.926 -1.236 -99.200 -91.000 TRP 72 1.040 88.194 64.131 -7.350 -99.200 -91.000 TRP6 72 1.020 87.053 63.057 -5.562 -99.200 -91.000 PHE 73 1.000 83.037 66.070 -1.403 -99.200 -91.000 PHE 80 1.000 75.610 60.203 -7.048 -99.200 -91.000 HIS 94 0.900 72.070 55.978 -6.882 -99.200 -91.000 PHE 109 1.000 92.329 63.406 -4.370 -99.200 -91.000 HIS 119 0.900 85.464 63.977 10.389 -99.200 -91.000 PHE 128 1.000 72.486 68.983 -1.807 -99.200 -91.000 HIS 142 0.900 70.840 53.382 7.100 -99.200 -91.000 PHE 146 1.000 69.297 63.475 10.059 -99.200 -91.000 HIS 160 0.900 77.898 80.699 4.025 -99.200 -91.000