============================================================================= 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 35.123 -1.669 53.797 -99.200 -91.000 PHE 33 1.000 36.205 -0.304 62.947 -99.200 -91.000 HIS 34 0.900 28.371 6.837 64.431 -99.200 -91.000 TRP 35 1.040 28.354 0.759 59.624 -99.200 -91.000 TRP6 35 1.020 27.382 -1.088 58.492 -99.200 -91.000 TYR 47 0.840 6.267 -0.428 67.979 -99.200 -91.000 PHE 52 1.000 9.780 3.359 65.076 -99.200 -91.000 PHE 53 1.000 16.212 8.253 60.741 -99.200 -91.000 HIS 57 0.900 28.673 4.321 68.050 -99.200 -91.000 PHE 58 1.000 29.515 -2.676 62.695 -99.200 -91.000 TYR 62 0.840 31.110 -7.017 63.778 -99.200 -91.000 PHE 64 1.000 35.965 -14.020 66.178 -99.200 -91.000 PHE 71 1.000 14.934 1.150 68.114 -99.200 -91.000 TYR 76 0.840 4.174 2.703 75.852 -99.200 -91.000 HIS 77 0.900 9.784 -3.213 72.302 -99.200 -91.000 TRP 95 1.040 28.642 -11.182 68.760 -99.200 -91.000 TRP6 95 1.020 27.363 -10.178 67.037 -99.200 -91.000 TYR 129 0.840 3.650 -7.482 74.749 -99.200 -91.000 TYR 136 0.840 2.908 -2.633 73.634 -99.200 -91.000 TRP 143 1.040 4.454 7.259 73.591 -99.200 -91.000 TRP6 143 1.020 6.509 7.152 74.695 -99.200 -91.000 TYR 147 0.840 7.797 11.070 70.880 -99.200 -91.000