============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 7 0.840 36.739 -27.642 30.844 -99.200 -91.000 TRP 14 1.040 35.574 -42.806 23.407 -99.200 -91.000 TRP6 14 1.020 37.028 -40.973 23.499 -99.200 -91.000 HIS 17 0.900 34.989 -54.119 27.844 -99.200 -91.000 TYR 24 0.840 33.072 -40.615 26.896 -99.200 -91.000 PHE 32 1.000 40.510 -19.196 37.390 -99.200 -91.000 HIS 34 0.900 30.768 -13.837 42.361 -99.200 -91.000 TYR 40 0.840 32.340 -23.110 31.546 -99.200 -91.000 PHE 44 1.000 23.781 -28.904 31.013 -99.200 -91.000 TYR 47 0.840 21.719 -42.313 30.802 -99.200 -91.000 PHE 51 1.000 19.866 -51.311 22.854 -99.200 -91.000 HIS 57 0.900 33.428 -44.337 37.539 -99.200 -91.000 TYR 60 0.840 35.907 -34.276 44.377 -99.200 -91.000 PHE 76 1.000 24.553 -36.406 41.126 -99.200 -91.000 PHE 83 1.000 19.117 -35.326 21.813 -99.200 -91.000 TYR 90 0.840 14.006 -41.871 17.901 -99.200 -91.000 HIS 99 0.900 29.137 -29.458 38.277 -99.200 -91.000 TYR 109 0.840 38.924 -32.199 41.553 -99.200 -91.000 TYR 112 0.840 30.230 -38.560 32.213 -99.200 -91.000 TYR 120 0.840 22.804 -47.923 21.433 -99.200 -91.000 TYR 121 0.840 27.173 -46.789 20.536 -99.200 -91.000 TYR 156 0.840 42.115 -35.933 11.244 -99.200 -91.000 HIS 167 0.900 46.335 -53.351 29.204 -99.200 -91.000 HIS 174 0.900 49.169 -43.727 26.486 -99.200 -91.000 TRP 175 1.040 46.976 -39.473 20.152 -99.200 -91.000 TRP6 175 1.020 45.416 -41.251 20.033 -99.200 -91.000 PHE 188 1.000 29.555 -13.848 10.895 -99.200 -91.000 HIS 198 0.900 37.212 -31.613 16.340 -99.200 -91.000 TYR 204 0.840 31.732 -49.096 11.565 -99.200 -91.000 TYR 224 0.840 9.342 -54.690 2.164 -99.200 -91.000 PHE 229 1.000 1.999 -41.773 0.942 -99.200 -91.000 PHE 232 1.000 -1.661 -46.451 -5.916 -99.200 -91.000 HIS 250 0.900 2.991 -36.486 1.225 -99.200 -91.000 TYR 265 0.840 26.597 -44.368 15.136 -99.200 -91.000 TYR 278 0.840 8.037 -39.182 15.487 -99.200 -91.000 TYR 304 0.840 32.476 -39.055 6.188 -99.200 -91.000 HIS 307 0.900 39.190 -31.027 9.175 -99.200 -91.000 TYR 333 0.840 24.621 -33.684 -5.646 -99.200 -91.000 PHE 382 1.000 18.522 19.255 1.719 -99.200 -91.000 TRP 397 1.040 24.785 -14.756 4.221 -99.200 -91.000 TRP6 397 1.020 26.616 -14.602 2.759 -99.200 -91.000 PHE 409 1.000 34.354 -13.137 7.132 -99.200 -91.000 TYR 421 0.840 16.506 -0.689 -3.772 -99.200 -91.000 PHE 443 1.000 40.407 -13.767 -3.531 -99.200 -91.000 PHE 470 1.000 37.108 -14.194 1.574 -99.200 -91.000 TYR 475 0.840 37.729 -9.566 8.632 -99.200 -91.000 HIS 483 0.900 31.101 -0.505 6.114 -99.200 -91.000 TRP 485 1.040 24.336 -6.053 0.073 -99.200 -91.000 TRP6 485 1.020 23.709 -5.644 -2.181 -99.200 -91.000 PHE 495 1.000 14.806 12.125 -4.499 -99.200 -91.000