============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 79.187 57.610 -55.212 -99.200 -91.000 HIS 2 0.900 86.933 61.208 -56.870 -99.200 -91.000 TYR 30 0.840 95.584 34.304 -26.782 -99.200 -91.000 TRP 36 1.040 94.068 21.001 -24.469 -99.200 -91.000 TRP6 36 1.020 94.834 20.939 -22.231 -99.200 -91.000 TYR 38 0.840 85.494 27.334 -20.521 -99.200 -91.000 HIS 40 0.900 92.131 18.539 -22.010 -99.200 -91.000 PHE 48 1.000 93.772 35.549 -18.687 -99.200 -91.000 PHE 50 1.000 84.156 33.335 -24.594 -99.200 -91.000 HIS 52 0.900 94.378 38.050 -24.438 -99.200 -91.000 TYR 57 0.840 85.511 40.422 -33.936 -99.200 -91.000 HIS 59 0.900 92.986 44.755 -28.391 -99.200 -91.000 PHE 66 1.000 93.828 55.382 -38.055 -99.200 -91.000 HIS 84 0.900 91.777 22.681 -33.974 -99.200 -91.000 PHE 86 1.000 96.638 24.481 -27.597 -99.200 -91.000 PHE 93 1.000 97.632 30.832 -19.257 -99.200 -91.000 TYR 97 0.840 106.047 36.348 -21.542 -99.200 -91.000 HIS 99 0.900 99.788 34.958 -30.534 -99.200 -91.000 HIS 102 0.900 106.597 35.350 -31.436 -99.200 -91.000 HIS 113 0.900 106.875 52.227 -42.766 -99.200 -91.000 HIS 120 0.900 104.566 62.069 -35.978 -99.200 -91.000 PHE 123 1.000 103.976 58.168 -31.976 -99.200 -91.000 PHE 125 1.000 93.817 53.872 -34.371 -99.200 -91.000 TRP 128 1.040 93.758 52.572 -29.582 -99.200 -91.000 TRP6 128 1.020 93.288 50.251 -29.678 -99.200 -91.000 TYR 129 0.840 96.996 47.222 -31.488 -99.200 -91.000 HIS 134 0.900 103.969 47.439 -20.719 -99.200 -91.000 PHE 140 1.000 98.067 35.971 -22.048 -99.200 -91.000 HIS 155 0.900 95.740 18.735 -3.234 -99.200 -91.000 TYR 158 0.840 91.033 23.798 -6.629 -99.200 -91.000 TYR 163 0.840 97.294 34.194 -9.475 -99.200 -91.000