============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. TRP 11 1.040 82.009 -38.837 1.203 -99.200 -91.000 TRP6 11 1.020 80.526 -39.989 2.642 -99.200 -91.000 PHE 14 1.000 81.884 -35.252 -3.611 -99.200 -91.000 TRP 19 1.040 75.321 -39.100 -1.441 -99.200 -91.000 TRP6 19 1.020 77.545 -38.681 -0.734 -99.200 -91.000 PHE 28 1.000 79.281 -39.403 -5.137 -99.200 -91.000 TYR 33 0.840 74.863 -36.700 -13.945 -99.200 -91.000 TYR 36 0.840 81.159 -31.369 -22.118 -99.200 -91.000 PHE 42 1.000 86.545 -31.979 -22.484 -99.200 -91.000 TRP 54 1.040 100.066 -47.989 -25.301 -99.200 -91.000 TRP6 54 1.020 99.305 -49.970 -24.232 -99.200 -91.000 HIS 68 0.900 97.649 -67.091 -30.662 -99.200 -91.000 PHE 73 1.000 103.199 -69.882 -18.053 -99.200 -91.000 HIS 84 0.900 101.379 -62.723 -7.570 -99.200 -91.000 TYR 88 0.840 105.355 -49.844 -8.372 -99.200 -91.000 PHE 112 1.000 92.119 -70.643 -4.329 -99.200 -91.000 TYR 125 0.840 100.584 -71.054 -23.379 -99.200 -91.000 PHE 137 1.000 95.619 -74.847 -5.084 -99.200 -91.000 TYR 140 0.840 97.656 -81.519 0.938 -99.200 -91.000 HIS 144 0.900 83.754 -74.506 -11.445 -99.200 -91.000 PHE 149 1.000 85.068 -82.180 -16.744 -99.200 -91.000 TYR 152 0.840 80.108 -81.571 -16.727 -99.200 -91.000 TYR 172 0.840 85.332 -70.863 -19.401 -99.200 -91.000 TYR 181 0.840 85.184 -54.017 -9.516 -99.200 -91.000 TYR 187 0.840 79.485 -45.439 0.358 -99.200 -91.000 TYR 191 0.840 79.729 -46.266 5.115 -99.200 -91.000 PHE 200 1.000 77.997 -63.220 10.216 -99.200 -91.000 HIS 227 0.900 84.435 -58.158 8.072 -99.200 -91.000 TYR 240 0.840 100.738 -52.124 -6.163 -99.200 -91.000 TYR 242 0.840 97.855 -44.464 -3.348 -99.200 -91.000 TRP 257 1.040 90.481 -44.998 -1.931 -99.200 -91.000 TRP6 257 1.020 92.722 -44.206 -1.953 -99.200 -91.000 TYR 259 0.840 93.988 -50.795 -11.542 -99.200 -91.000 PHE 260 1.000 95.338 -49.641 -4.954 -99.200 -91.000 TYR 262 0.840 89.162 -54.833 -13.280 -99.200 -91.000 PHE 276 1.000 87.283 -50.026 -14.068 -99.200 -91.000 PHE 282 1.000 82.231 -43.139 -8.103 -99.200 -91.000 TYR 286 0.840 85.082 -38.905 -5.946 -99.200 -91.000 HIS 307 0.900 99.813 -42.441 -16.221 -99.200 -91.000 PHE 317 1.000 92.286 -62.889 -15.428 -99.200 -91.000 TYR 323 0.840 89.431 -68.714 -21.937 -99.200 -91.000 PHE 327 1.000 85.346 -68.154 -23.776 -99.200 -91.000 TRP 333 1.040 84.568 -60.040 -23.488 -99.200 -91.000 TRP6 333 1.020 85.606 -62.165 -23.516 -99.200 -91.000 PHE 354 1.000 82.490 -35.448 -25.347 -99.200 -91.000 PHE 356 1.000 86.959 -43.981 -18.460 -99.200 -91.000 TYR 361 0.840 90.899 -39.839 -31.414 -99.200 -91.000 TRP 375 1.040 72.528 -44.097 -30.130 -99.200 -91.000 TRP6 375 1.020 74.406 -42.923 -30.969 -99.200 -91.000 PHE 383 1.000 79.047 -39.694 -25.802 -99.200 -91.000 PHE 386 1.000 85.478 -37.503 -29.200 -99.200 -91.000 TYR 399 0.840 78.523 -46.706 -31.057 -99.200 -91.000 PHE 409 1.000 68.500 -53.943 -16.338 -99.200 -91.000 TYR 414 0.840 71.721 -50.066 -18.442 -99.200 -91.000 PHE 431 1.000