============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 -52.516 21.473 30.379 -99.200 -91.000 TYR 31 0.840 -34.781 19.853 32.682 -99.200 -91.000 TYR 36 0.840 -37.573 16.991 26.921 -99.200 -91.000 TYR 37 0.840 -39.409 19.542 19.490 -99.200 -91.000 PHE 38 1.000 -43.866 20.833 25.986 -99.200 -91.000 TRP 40 1.040 -51.476 24.275 23.835 -99.200 -91.000 TRP6 40 1.020 -49.131 24.451 24.082 -99.200 -91.000 TYR 42 0.840 -58.128 23.697 14.236 -99.200 -91.000 PHE 57 1.000 -46.159 28.433 14.487 -99.200 -91.000 PHE 66 1.000 -32.522 32.184 12.622 -99.200 -91.000 TYR 89 0.840 -17.627 46.625 4.939 -99.200 -91.000 TRP 90 1.040 -24.850 51.547 -0.417 -99.200 -91.000 TRP6 90 1.020 -26.860 52.013 0.742 -99.200 -91.000 TRP 98 1.040 -25.214 57.960 6.046 -99.200 -91.000 TRP6 98 1.020 -25.980 56.027 7.169 -99.200 -91.000 HIS 105 0.900 -21.464 53.801 15.605 -99.200 -91.000 TYR 109 0.840 -31.315 47.185 17.322 -99.200 -91.000 PHE 131 1.000 -34.803 55.810 5.279 -99.200 -91.000 TYR 132 0.840 -30.696 53.182 5.032 -99.200 -91.000 TRP 135 1.040 -31.405 58.892 9.584 -99.200 -91.000 TRP6 135 1.020 -29.217 58.580 10.428 -99.200 -91.000 TRP 139 1.040 -30.557 61.493 20.173 -99.200 -91.000 TRP6 139 1.020 -32.037 59.770 19.515 -99.200 -91.000 TYR 147 0.840 -36.076 46.403 17.961 -99.200 -91.000 PHE 155 1.000 -24.227 43.740 11.054 -99.200 -91.000 PHE 167 1.000 -29.808 38.748 5.302 -99.200 -91.000 PHE 176 1.000 -31.929 30.167 7.535 -99.200 -91.000 HIS 183 0.900 -38.368 20.557 7.229 -99.200 -91.000 TRP 185 1.040 -37.426 27.018 3.401 -99.200 -91.000 TRP6 185 1.020 -36.032 26.943 1.493 -99.200 -91.000 TYR 196 0.840 -45.788 31.217 5.507 -99.200 -91.000 TRP 198 1.040 -53.111 30.874 5.657 -99.200 -91.000 TRP6 198 1.020 -52.685 32.703 4.220 -99.200 -91.000 TYR 200 0.840 -55.731 32.733 11.460 -99.200 -91.000 HIS 207 0.900 -48.996 33.352 4.827 -99.200 -91.000 TYR 218 0.840 -39.924 43.105 8.325 -99.200 -91.000 TRP 230 1.040 -31.750 30.716 16.230 -99.200 -91.000 TRP6 230 1.020 -29.683 31.028 15.120 -99.200 -91.000 TYR 256 0.840 -20.764 43.592 20.127 -99.200 -91.000 TRP 257 1.040 -23.504 49.688 21.703 -99.200 -91.000 TRP6 257 1.020 -22.227 51.676 21.769 -99.200 -91.000 TYR 263 0.840 -24.863 44.003 30.388 -99.200 -91.000 TRP 268 1.040 -28.883 35.680 19.984 -99.200 -91.000 TRP6 268 1.020 -30.985 34.681 20.406 -99.200 -91.000 TRP 273 1.040 -29.688 32.623 36.124 -99.200 -91.000 TRP6 273 1.020 -32.027 32.648 35.788 -99.200 -91.000 TRP 309 1.040 -34.017 36.174 29.927 -99.200 -91.000 TRP6 309 1.020 -35.382 34.474 30.841 -99.200 -91.000 HIS 311 0.900 -34.952 39.081 26.572 -99.200 -91.000 PHE 319 1.000 -47.457 33.780 11.666 -99.200 -91.000 TYR 322 0.840 -39.247 35.870 25.185 -99.200 -91.000 PHE 325 1.000 -29.785 31.589 24.103 -99.200 -91.000 TYR 341 0.840 -48.713 35.975 22.741 -99.200 -91.000 TRP 351 1.040 -38.194 34.882 35.043 -99.200 -91.000 TRP6 351 1.020 -38.962 34.694 37.265 -99.200 -91.000