============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 21 1.000 -1.923 27.816 125.048 -99.200 -91.000 HIS 28 0.900 -6.768 24.131 135.235 -99.200 -91.000 TYR 29 0.840 -2.611 24.900 136.756 -99.200 -91.000 PHE 36 1.000 1.735 33.399 135.407 -99.200 -91.000 TYR 48 0.840 3.428 28.966 139.987 -99.200 -91.000 TYR 60 0.840 16.465 23.757 114.824 -99.200 -91.000 PHE 63 1.000 17.626 13.086 113.939 -99.200 -91.000 PHE 95 1.000 9.005 20.140 127.741 -99.200 -91.000 PHE 96 1.000 4.517 20.688 120.080 -99.200 -91.000 PHE 103 1.000 8.613 24.746 131.497 -99.200 -91.000 TYR 112 0.840 21.973 25.682 131.572 -99.200 -91.000 PHE 113 1.000 12.475 28.693 134.967 -99.200 -91.000 TYR 123 0.840 -6.229 17.442 127.906 -99.200 -91.000 PHE 137 1.000 -28.964 18.921 116.276 -99.200 -91.000 TYR 155 0.840 -9.652 11.993 96.676 -99.200 -91.000 PHE 156 1.000 -4.547 11.930 89.639 -99.200 -91.000 PHE 161 1.000 -2.565 11.705 84.543 -99.200 -91.000 PHE 169 1.000 -16.019 6.514 98.551 -99.200 -91.000 HIS 180 0.900 -27.817 10.510 107.628 -99.200 -91.000 PHE 185 1.000 -10.159 16.167 105.548 -99.200 -91.000 PHE 188 1.000 -10.414 17.220 95.973 -99.200 -91.000 HIS 193 0.900 0.659 12.237 89.502 -99.200 -91.000 PHE 204 1.000 -5.548 13.073 80.311 -99.200 -91.000 PHE 207 1.000 -10.500 14.314 79.845 -99.200 -91.000 PHE 218 1.000 -11.534 19.482 90.459 -99.200 -91.000 PHE 222 1.000 -10.089 14.442 90.909 -99.200 -91.000 HIS 232 0.900 -32.045 12.237 98.089 -99.200 -91.000 HIS 248 0.900 -4.898 31.545 100.956 -99.200 -91.000 TYR 251 0.840 -3.189 24.936 108.613 -99.200 -91.000 PHE 268 1.000 -20.281 17.862 94.952 -99.200 -91.000 PHE 277 1.000 -17.547 20.236 108.985 -99.200 -91.000 TYR 283 0.840 -19.703 22.392 118.313 -99.200 -91.000 PHE 284 1.000 -17.642 15.594 111.929 -99.200 -91.000 PHE 292 1.000 -2.463 12.945 114.925 -99.200 -91.000 TYR 308 0.840 -0.266 1.884 121.997 -99.200 -91.000 HIS 316 0.900 2.728 17.612 123.183 -99.200 -91.000 TYR 323 0.840 -8.327 22.147 114.578 -99.200 -91.000 TYR 324 0.840 1.948 21.975 111.150 -99.200 -91.000 PHE 327 1.000 7.059 29.820 113.937 -99.200 -91.000 HIS 334 0.900 10.325 24.683 100.017 -99.200 -91.000 TYR 344 0.840 -4.107 36.358 107.483 -99.200 -91.000 PHE 350 1.000 -8.549 22.672 119.253 -99.200 -91.000 PHE 354 1.000 -17.605 25.977 122.852 -99.200 -91.000 HIS 367 0.900 -6.050 2.162 107.897 -99.200 -91.000 PHE 368 1.000 -4.479 8.313 113.803 -99.200 -91.000 PHE 383 1.000 -10.748 6.594 97.142 -99.200 -91.000 TYR 393 0.840 -14.302 3.938 102.546 -99.200 -91.000 TYR 418 0.840 -29.583 17.310 128.475 -99.200 -91.000 HIS 420 0.900 -22.603 17.995 121.367 -99.200 -91.000 TRP 423 1.040 -16.428 10.072 125.028 -99.200 -91.000 TRP6 423 1.020 -16.337 8.293 126.585 -99.200 -91.000