============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 24 1.000 18.458 21.813 56.173 -99.200 -91.000 PHE 36 1.000 16.207 11.809 48.696 -99.200 -91.000 HIS 46 0.900 12.227 12.201 57.591 -99.200 -91.000 TYR 48 0.840 14.703 4.671 56.882 -99.200 -91.000 HIS 67 0.900 24.780 0.564 51.954 -99.200 -91.000 TYR 69 0.840 25.762 3.386 42.213 -99.200 -91.000 TRP 71 1.040 18.738 6.229 45.566 -99.200 -91.000 TRP6 71 1.020 18.690 8.065 47.077 -99.200 -91.000 TRP 91 1.040 29.378 7.243 51.137 -99.200 -91.000 TRP6 91 1.020 27.632 8.668 51.807 -99.200 -91.000 TRP 106 1.040 27.549 9.237 44.620 -99.200 -91.000 TRP6 106 1.020 26.295 11.093 45.387 -99.200 -91.000 HIS 110 0.900 28.804 17.734 46.653 -99.200 -91.000 HIS 112 0.900 29.275 17.746 37.626 -99.200 -91.000 PHE 118 1.000 23.982 19.523 56.260 -99.200 -91.000 HIS 138 0.900 35.504 17.626 61.335 -99.200 -91.000 TYR 139 0.840 29.405 23.294 62.130 -99.200 -91.000 HIS 140 0.900 34.920 16.309 67.793 -99.200 -91.000 TRP 152 1.040 39.382 22.204 62.605 -99.200 -91.000 TRP6 152 1.020 38.143 20.765 64.027 -99.200 -91.000 PHE 166 1.000 37.647 31.029 62.955 -99.200 -91.000 TYR 170 0.840 25.540 21.317 71.526 -99.200 -91.000 TYR 177 0.840 14.404 17.312 72.739 -99.200 -91.000 TYR 180 0.840 15.709 13.809 67.379 -99.200 -91.000