============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 30 0.900 67.156 -6.204 45.853 -99.200 -91.000 TYR 36 0.840 69.884 -5.294 40.611 -99.200 -91.000 TRP 39 1.040 81.877 -0.726 35.138 -99.200 -91.000 TRP6 39 1.020 83.016 1.304 35.607 -99.200 -91.000 PHE 40 1.000 75.420 2.037 30.140 -99.200 -91.000 TYR 53 0.840 74.790 -8.493 31.667 -99.200 -91.000 PHE 66 1.000 86.813 -2.990 26.951 -99.200 -91.000 PHE 75 1.000 80.402 -0.930 42.530 -99.200 -91.000 TYR 90 0.840 86.158 2.997 28.734 -99.200 -91.000 TYR 91 0.840 79.692 8.793 30.782 -99.200 -91.000 HIS 95 0.900 71.308 -1.368 37.141 -99.200 -91.000 TYR 98 0.840 62.809 3.652 39.250 -99.200 -91.000 PHE 100 1.000 67.146 3.111 36.885 -99.200 -91.000 PHE 102 1.000 73.727 7.555 33.353 -99.200 -91.000 PHE 122 1.000 92.308 20.653 1.093 -99.200 -91.000 PHE 139 1.000 90.710 19.580 6.021 -99.200 -91.000 PHE 143 1.000 97.699 17.591 15.828 -99.200 -91.000 TYR 144 0.840 100.229 11.399 21.648 -99.200 -91.000 TRP 152 1.040 94.895 30.435 8.868 -99.200 -91.000 TRP6 152 1.020 94.680 29.577 6.665 -99.200 -91.000 TRP 167 1.040 92.452 21.654 18.531 -99.200 -91.000 TRP6 167 1.020 91.330 23.706 18.903 -99.200 -91.000 TYR 177 0.840 94.773 13.873 20.646 -99.200 -91.000 TYR 190 0.840 90.542 33.847 -2.328 -99.200 -91.000 HIS 193 0.900 95.107 41.128 0.874 -99.200 -91.000 TYR 196 0.840 94.751 34.346 0.271 -99.200 -91.000 HIS 202 0.900 102.880 18.163 17.302 -99.200 -91.000 PHE 213 1.000 95.626 29.401 -1.826 -99.200 -91.000