============================================================================= 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. HIS 2 0.900 16.197 -11.005 36.288 -99.200 -91.000 TRP 15 1.040 29.993 -3.799 47.404 -99.200 -91.000 TRP6 15 1.020 29.285 -1.548 47.231 -99.200 -91.000 TYR 35 0.840 20.733 15.431 45.937 -99.200 -91.000 TRP 37 1.040 16.066 17.857 50.223 -99.200 -91.000 TRP6 37 1.020 17.153 18.942 48.402 -99.200 -91.000 PHE 41 1.000 15.201 12.025 57.561 -99.200 -91.000 PHE 42 1.000 21.162 11.860 58.801 -99.200 -91.000 PHE 45 1.000 24.217 11.535 62.717 -99.200 -91.000 HIS 63 0.900 22.888 6.691 59.629 -99.200 -91.000 PHE 71 1.000 24.078 -0.589 47.922 -99.200 -91.000 HIS 77 0.900 20.872 -12.222 51.073 -99.200 -91.000 PHE 85 1.000 18.198 -3.935 51.777 -99.200 -91.000 HIS 92 0.900 15.504 2.911 57.291 -99.200 -91.000 HIS 97 0.900 8.075 8.684 62.057 -99.200 -91.000 PHE 103 1.000 14.868 4.726 52.067 -99.200 -91.000 HIS 116 0.900 36.052 11.680 42.682 -99.200 -91.000 HIS 117 0.900 37.348 4.004 44.716 -99.200 -91.000 PHE 118 1.000 35.555 1.185 41.930 -99.200 -91.000 PHE 122 1.000 29.690 3.537 37.936 -99.200 -91.000 TYR 130 0.840 27.565 -1.049 41.103 -99.200 -91.000 HIS 143 0.900 7.008 -4.584 49.117 -99.200 -91.000 TYR 145 0.840 8.782 4.064 54.037 -99.200 -91.000 HIS 146 0.900 2.057 1.394 57.778 -99.200 -91.000