============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 9 0.900 35.375 -1.465 53.481 -99.200 -91.000 PHE 33 1.000 36.261 -0.126 62.606 -99.200 -91.000 HIS 34 0.900 28.258 6.892 63.976 -99.200 -91.000 TRP 35 1.040 28.513 0.763 59.150 -99.200 -91.000 TRP6 35 1.020 27.618 -1.121 58.066 -99.200 -91.000 TYR 47 0.840 6.092 -0.570 67.059 -99.200 -91.000 PHE 52 1.000 9.705 3.255 64.285 -99.200 -91.000 PHE 53 1.000 16.208 7.977 60.008 -99.200 -91.000 HIS 57 0.900 28.563 4.465 67.546 -99.200 -91.000 PHE 58 1.000 29.746 -2.486 62.301 -99.200 -91.000 TYR 62 0.840 31.091 -6.849 63.455 -99.200 -91.000 PHE 64 1.000 36.467 -12.970 65.487 -99.200 -91.000 PHE 71 1.000 14.864 1.140 67.467 -99.200 -91.000 TYR 76 0.840 3.535 2.653 74.745 -99.200 -91.000 HIS 77 0.900 9.576 -3.339 71.578 -99.200 -91.000 TRP 95 1.040 28.692 -10.941 68.307 -99.200 -91.000 TRP6 95 1.020 27.337 -9.934 66.642 -99.200 -91.000 TYR 129 0.840 3.349 -7.389 73.922 -99.200 -91.000 TYR 136 0.840 2.570 -2.669 72.815 -99.200 -91.000 TRP 143 1.040 3.898 7.257 72.494 -99.200 -91.000 TRP6 143 1.020 5.771 7.010 73.906 -99.200 -91.000 TYR 147 0.840 7.582 10.882 69.961 -99.200 -91.000