============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 7 1.000 85.619 4.766 -8.429 -99.200 -91.000 HIS 8 0.900 89.457 10.751 -7.218 -99.200 -91.000 TYR 23 0.840 68.846 13.146 -0.679 -99.200 -91.000 TRP 37 1.040 78.833 12.817 -2.516 -99.200 -91.000 TRP6 37 1.020 79.010 14.383 -4.287 -99.200 -91.000 PHE 44 1.000 75.571 7.796 -0.634 -99.200 -91.000 TYR 45 0.840 71.537 13.077 4.216 -99.200 -91.000 PHE 47 1.000 67.358 7.856 1.999 -99.200 -91.000 HIS 49 0.900 63.226 -0.506 -1.594 -99.200 -91.000 HIS 52 0.900 61.161 3.601 0.927 -99.200 -91.000 TYR 55 0.840 58.841 7.328 -3.638 -99.200 -91.000 TYR 62 0.840 57.630 21.257 -4.524 -99.200 -91.000 PHE 78 1.000 67.331 1.267 -13.856 -99.200 -91.000 HIS 87 0.900 56.622 10.790 -6.621 -99.200 -91.000 PHE 93 1.000 57.805 16.910 -7.173 -99.200 -91.000 TYR 114 0.840 76.832 -8.087 -9.327 -99.200 -91.000 HIS 126 0.900 59.415 3.650 -15.747 -99.200 -91.000 PHE 131 1.000 70.895 12.224 -21.709 -99.200 -91.000 TYR 159 0.840 69.590 4.942 -15.654 -99.200 -91.000 PHE 167 1.000 81.625 4.465 -11.506 -99.200 -91.000 PHE 181 1.000 80.383 21.900 -19.777 -99.200 -91.000 TYR 220 0.840 60.596 23.427 -9.808 -99.200 -91.000 PHE 238 1.000 44.776 32.251 -2.559 -99.200 -91.000 HIS 252 0.900 45.707 36.686 0.574 -99.200 -91.000 PHE 262 1.000 28.501 29.173 -4.764 -99.200 -91.000 TRP 279 1.040 44.676 12.297 -10.750 -99.200 -91.000 TRP6 279 1.020 44.018 11.839 -8.513 -99.200 -91.000 HIS 283 0.900 40.813 13.837 -16.399 -99.200 -91.000 TRP 289 1.040 35.929 21.782 -13.481 -99.200 -91.000 TRP6 289 1.020 37.300 23.662 -13.084 -99.200 -91.000 TYR 296 0.840 39.346 25.601 -17.748 -99.200 -91.000 TRP 341 1.040 33.744 35.668 -7.995 -99.200 -91.000 TRP6 341 1.020 32.689 33.554 -7.991 -99.200 -91.000 TYR 371 0.840 41.233 10.035 9.975 -99.200 -91.000 PHE 381 1.000 54.368 22.555 16.859 -99.200 -91.000 TRP 419 1.040 51.486 8.297 -11.349 -99.200 -91.000 TRP6 419 1.020 53.574 7.307 -11.825 -99.200 -91.000 TYR 428 0.840 58.016 13.308 -0.965 -99.200 -91.000 PHE 449 1.000 55.752 4.188 9.616 -99.200 -91.000 PHE 451 1.000 52.250 1.103 0.468 -99.200 -91.000 TYR 462 0.840 72.351 9.472 7.552 -99.200 -91.000 TYR 477 0.840 40.459 2.966 1.696 -99.200 -91.000 TYR 499 0.840 52.742 1.657 13.114 -99.200 -91.000 PHE 506 1.000 65.050 0.461 13.838 -99.200 -91.000 TYR 511 0.840 56.935 11.915 22.555 -99.200 -91.000