============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 2 1.000 55.910 -4.177 6.475 -99.200 -91.000 TRP 17 1.040 36.860 24.388 14.676 -99.200 -91.000 TRP6 17 1.020 36.606 23.297 16.767 -99.200 -91.000 PHE 19 1.000 28.611 14.991 18.378 -99.200 -91.000 TYR 22 0.840 22.485 12.832 17.946 -99.200 -91.000 TYR 29 0.840 34.486 13.783 14.066 -99.200 -91.000 PHE 30 1.000 42.670 17.729 15.239 -99.200 -91.000 HIS 52 0.900 29.122 10.956 28.193 -99.200 -91.000 HIS 53 0.900 27.694 2.576 30.602 -99.200 -91.000 HIS 54 0.900 33.637 6.117 26.314 -99.200 -91.000 TYR 61 0.840 45.423 20.509 27.697 -99.200 -91.000 TRP 67 1.040 35.239 20.483 30.881 -99.200 -91.000 TRP6 67 1.020 35.067 18.224 31.528 -99.200 -91.000 TYR 69 0.840 32.594 14.283 33.375 -99.200 -91.000 HIS 72 0.900 32.912 11.990 39.196 -99.200 -91.000 TRP 74 1.040 36.263 15.847 39.675 -99.200 -91.000 TRP6 74 1.020 36.106 16.082 37.325 -99.200 -91.000 HIS 77 0.900 39.091 25.286 37.383 -99.200 -91.000 TYR 83 0.840 42.926 7.676 31.867 -99.200 -91.000 HIS 90 0.900 31.652 10.195 34.019 -99.200 -91.000 TYR 96 0.840 32.298 29.430 32.386 -99.200 -91.000 PHE 105 1.000 43.974 16.235 21.810 -99.200 -91.000 TYR 114 0.840 25.716 10.693 23.531 -99.200 -91.000 TRP 127 1.040 34.657 2.349 14.252 -99.200 -91.000 TRP6 127 1.020 34.564 2.247 11.888 -99.200 -91.000 TYR 133 0.840 36.633 13.967 7.880 -99.200 -91.000 TYR 136 0.840 31.435 20.459 7.414 -99.200 -91.000 HIS 140 0.900 29.952 22.017 4.045 -99.200 -91.000 PHE 150 1.000 46.305 4.819 13.664 -99.200 -91.000