============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 34.251 11.255 14.053 -99.200 -91.000 HIS 20 0.900 20.144 23.580 16.347 -99.200 -91.000 TYR 29 0.840 23.923 17.955 21.129 -99.200 -91.000 TYR 32 0.840 31.401 5.851 14.974 -99.200 -91.000 HIS 43 0.900 25.951 -3.205 24.670 -99.200 -91.000 PHE 46 1.000 27.017 5.278 30.882 -99.200 -91.000 TYR 48 0.840 23.696 8.889 26.930 -99.200 -91.000 TYR 58 0.840 39.185 16.934 18.543 -99.200 -91.000 TRP 68 1.040 46.438 18.180 30.990 -99.200 -91.000 TRP6 68 1.020 46.977 17.107 28.952 -99.200 -91.000 TYR 77 0.840 42.047 20.853 35.078 -99.200 -91.000 PHE 99 1.000 42.839 8.372 25.610 -99.200 -91.000 PHE 103 1.000 35.693 5.748 19.205 -99.200 -91.000 TYR 132 0.840 53.032 21.506 3.179 -99.200 -91.000 PHE 143 1.000 53.162 12.456 12.527 -99.200 -91.000 PHE 144 1.000 52.659 16.852 9.741 -99.200 -91.000 PHE 152 1.000 56.153 12.248 8.383 -99.200 -91.000 TRP 156 1.040 56.784 22.142 13.528 -99.200 -91.000 TRP6 156 1.020 54.534 22.788 13.858 -99.200 -91.000 TYR 158 0.840 55.034 25.468 4.025 -99.200 -91.000 PHE 167 1.000 49.897 25.649 11.734 -99.200 -91.000 TYR 185 0.840 45.339 24.921 3.180 -99.200 -91.000 TYR 187 0.840 42.841 20.641 7.219 -99.200 -91.000 TYR 196 0.840 31.219 13.495 6.867 -99.200 -91.000 TYR 217 0.840 39.441 9.236 15.939 -99.200 -91.000 TRP 251 1.040 26.300 7.982 11.929 -99.200 -91.000 TRP6 251 1.020 24.682 9.700 11.749 -99.200 -91.000 TRP 252 1.040 33.403 8.023 7.597 -99.200 -91.000 TRP6 252 1.020 32.915 8.150 9.904 -99.200 -91.000 TYR 253 0.840 32.751 4.784 3.643 -99.200 -91.000