============================================================================= 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 33.571 5.777 33.631 -99.200 -91.000 HIS 8 0.900 29.548 12.126 32.554 -99.200 -91.000 TYR 23 0.840 50.312 14.258 26.394 -99.200 -91.000 TRP 37 1.040 40.252 14.000 28.285 -99.200 -91.000 TRP6 37 1.020 40.078 15.468 30.143 -99.200 -91.000 PHE 44 1.000 43.680 8.897 26.185 -99.200 -91.000 TYR 45 0.840 47.673 14.462 21.379 -99.200 -91.000 PHE 47 1.000 51.881 9.127 23.429 -99.200 -91.000 HIS 49 0.900 55.815 0.582 26.735 -99.200 -91.000 HIS 52 0.900 57.859 4.801 24.404 -99.200 -91.000 TYR 55 0.840 60.290 8.229 29.122 -99.200 -91.000 TYR 62 0.840 61.535 22.164 30.658 -99.200 -91.000 PHE 78 1.000 51.606 1.753 39.152 -99.200 -91.000 HIS 87 0.900 62.551 11.615 32.314 -99.200 -91.000 PHE 93 1.000 61.436 17.848 33.134 -99.200 -91.000 TYR 114 0.840 42.495 -7.819 33.986 -99.200 -91.000 HIS 126 0.900 59.747 4.128 41.296 -99.200 -91.000 PHE 131 1.000 48.112 12.480 47.398 -99.200 -91.000 TYR 159 0.840 49.435 5.480 41.149 -99.200 -91.000 PHE 167 1.000 37.278 5.044 36.740 -99.200 -91.000 PHE 181 1.000 38.509 22.156 46.007 -99.200 -91.000 TYR 220 0.840 58.643 24.200 36.000 -99.200 -91.000 PHE 238 1.000 74.905 33.275 29.181 -99.200 -91.000 HIS 252 0.900 74.054 37.909 26.248 -99.200 -91.000 PHE 262 1.000 91.012 30.102 31.513 -99.200 -91.000 TRP 279 1.040 74.668 13.095 36.539 -99.200 -91.000 TRP6 279 1.020 75.295 12.858 34.269 -99.200 -91.000 HIS 283 0.900 78.438 14.429 42.186 -99.200 -91.000 TRP 289 1.040 83.693 22.175 39.850 -99.200 -91.000 TRP6 289 1.020 82.391 24.135 39.590 -99.200 -91.000 TYR 296 0.840 80.223 25.867 44.282 -99.200 -91.000 TRP 341 1.040 86.004 36.426 34.940 -99.200 -91.000 TRP6 341 1.020 87.160 34.365 34.771 -99.200 -91.000 TYR 371 0.840 78.228 11.577 15.514 -99.200 -91.000 PHE 381 1.000 65.229 24.240 9.409 -99.200 -91.000 TRP 419 1.040 67.729 8.964 36.977 -99.200 -91.000 TRP6 419 1.020 65.635 7.930 37.362 -99.200 -91.000 TYR 428 0.840 61.237 14.477 26.702 -99.200 -91.000 PHE 449 1.000 63.568 5.808 15.634 -99.200 -91.000 PHE 451 1.000 67.048 2.324 24.753 -99.200 -91.000 TYR 462 0.840 46.791 11.062 17.882 -99.200 -91.000 TYR 477 0.840 78.936 4.202 23.750 -99.200 -91.000 TYR 499 0.840 66.506 3.179 12.034 -99.200 -91.000 PHE 506 1.000 54.138 2.168 11.313 -99.200 -91.000 TYR 511 0.840 62.323 14.039 2.991 -99.200 -91.000