============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 1 0.900 -29.725 -15.162 -21.291 -99.200 -91.000 TYR 4 0.840 -21.787 -11.328 -9.739 -99.200 -91.000 TRP 6 1.040 -16.392 -13.704 -11.441 -99.200 -91.000 TRP6 6 1.020 -16.873 -11.928 -9.941 -99.200 -91.000 HIS 33 0.900 -15.895 -24.949 24.338 -99.200 -91.000 HIS 34 0.900 -11.045 -18.080 23.949 -99.200 -91.000 TYR 38 0.840 -16.012 -18.659 10.515 -99.200 -91.000 PHE 54 1.000 -26.485 -18.510 -9.796 -99.200 -91.000 HIS 63 0.900 -50.931 -19.172 -12.391 -99.200 -91.000 TYR 64 0.840 -43.000 -12.376 -13.655 -99.200 -91.000 HIS 95 0.900 -17.945 6.178 11.821 -99.200 -91.000 PHE 101 1.000 -15.415 10.997 -8.674 -99.200 -91.000 TYR 103 0.840 -17.726 13.874 -2.028 -99.200 -91.000 HIS 118 0.900 -18.736 13.882 -7.210 -99.200 -91.000 HIS 120 0.900 -26.637 20.580 -6.193 -99.200 -91.000 TRP 123 1.040 -30.526 15.471 -9.891 -99.200 -91.000 TRP6 123 1.020 -31.620 13.587 -8.957 -99.200 -91.000 PHE 145 1.000 -21.147 -15.716 9.341 -99.200 -91.000 PHE 157 1.000 -18.822 0.083 -1.743 -99.200 -91.000 TYR 171 0.840 -35.357 7.708 2.992 -99.200 -91.000 TYR 186 0.840 -42.000 -3.635 3.307 -99.200 -91.000 PHE 188 1.000 -37.155 -5.658 5.504 -99.200 -91.000 TYR 190 0.840 -46.108 -6.562 10.005 -99.200 -91.000 PHE 198 1.000 -48.953 -10.967 8.718 -99.200 -91.000 TRP 203 1.040 -50.277 -22.020 13.362 -99.200 -91.000 TRP6 203 1.020 -48.890 -22.935 11.683 -99.200 -91.000 PHE 212 1.000 -44.068 -22.852 1.680 -99.200 -91.000 TYR 214 0.840 -38.213 -21.269 -2.562 -99.200 -91.000 PHE 219 1.000 -34.343 -12.782 -4.276 -99.200 -91.000 TYR 235 0.840 -38.224 0.742 -8.048 -99.200 -91.000 TYR 256 0.840 -30.759 1.159 -8.765 -99.200 -91.000 TYR 271 0.840 -20.800 -5.163 -17.056 -99.200 -91.000 TYR 291 0.840 -46.508 -9.671 -2.774 -99.200 -91.000 PHE 334 1.000 -43.526 -21.387 -3.351 -99.200 -91.000 TYR 341 0.840 -42.650 -17.781 -11.850 -99.200 -91.000 TYR 353 0.840 -47.876 -30.152 8.506 -99.200 -91.000 HIS 369 0.900 -46.405 -19.571 30.967 -99.200 -91.000 TYR 377 0.840 -48.433 -17.329 21.226 -99.200 -91.000 TYR 378 0.840 -40.001 -15.396 23.560 -99.200 -91.000 TRP 392 1.040 -14.385 -9.449 15.896 -99.200 -91.000 TRP6 392 1.020 -13.125 -11.160 14.878 -99.200 -91.000 HIS 397 0.900 -13.876 -0.197 21.232 -99.200 -91.000 TRP 403 1.040 -22.720 -4.710 22.200 -99.200 -91.000 TRP6 403 1.020 -23.954 -3.349 23.682 -99.200 -91.000 TYR 410 0.840 -33.683 -11.608 17.812 -99.200 -91.000 TRP 415 1.040 -31.332 -15.794 22.775 -99.200 -91.000 TRP6 415 1.020 -30.537 -13.998 21.461 -99.200 -91.000 HIS 423 0.900 -19.439 -10.066 28.082 -99.200 -91.000 PHE 424 1.000 -21.449 -6.968 24.662 -99.200 -91.000 PHE 425 1.000 -26.877 -1.862 30.131 -99.200 -91.000 TYR 443 0.840 -37.059 -4.847 10.481 -99.200 -91.000 TYR 447 0.840 -32.652 3.030 13.244 -99.200 -91.000 HIS 462 0.900 -39.092 -6.315 22.175 -99.200 -91.000 PHE 467 1.000 -38.088 -3.972 30.657 -99.200 -91.000 HIS 470 0.90