============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 4 1.000 -27.526 -69.146 20.589 -99.200 -91.000 TYR 19 0.840 -27.648 -50.579 15.278 -99.200 -91.000 TYR 20 0.840 -33.242 -52.120 8.921 -99.200 -91.000 PHE 43 1.000 -44.273 -57.256 15.773 -99.200 -91.000 HIS 50 0.900 -45.898 -42.219 6.911 -99.200 -91.000 PHE 52 1.000 -41.580 -39.577 5.676 -99.200 -91.000 HIS 54 0.900 -40.330 -46.430 -0.284 -99.200 -91.000 TYR 56 0.840 -49.612 -50.839 3.324 -99.200 -91.000 TYR 57 0.840 -50.166 -57.269 9.639 -99.200 -91.000 TYR 65 0.840 -56.192 -58.906 11.388 -99.200 -91.000 TYR 73 0.840 -53.607 -40.727 20.314 -99.200 -91.000 TYR 76 0.840 -43.771 -40.604 19.594 -99.200 -91.000 TRP 81 1.040 -46.925 -46.010 17.920 -99.200 -91.000 TRP6 81 1.020 -48.390 -47.805 18.359 -99.200 -91.000 HIS 94 0.900 -31.673 -63.860 7.653 -99.200 -91.000 PHE 113 1.000 -43.553 -45.263 15.005 -99.200 -91.000 PHE 114 1.000 -44.482 -45.856 10.249 -99.200 -91.000 TRP 120 1.040 -36.863 -47.869 11.500 -99.200 -91.000 TRP6 120 1.020 -38.797 -46.926 12.487 -99.200 -91.000 TYR 128 0.840 -38.772 -56.797 31.594 -99.200 -91.000 PHE 141 1.000 -41.848 -61.459 18.697 -99.200 -91.000 PHE 142 1.000 -37.336 -62.570 24.285 -99.200 -91.000 HIS 150 0.900 -40.026 -76.463 24.334 -99.200 -91.000 PHE 155 1.000 -33.687 -58.727 24.292 -99.200 -91.000 HIS 175 0.900 -17.844 -67.740 24.767 -99.200 -91.000 TYR 178 0.840 -19.034 -62.827 25.320 -99.200 -91.000 TRP 183 1.040 -17.118 -58.216 34.432 -99.200 -91.000 TRP6 183 1.020 -16.839 -58.583 36.731 -99.200 -91.000 TYR 184 0.840 -24.667 -61.654 32.934 -99.200 -91.000 TRP 191 1.040 -39.368 -49.419 34.915 -99.200 -91.000 TRP6 191 1.020 -40.176 -47.216 34.910 -99.200 -91.000 TYR 192 0.840 -39.028 -47.041 30.143 -99.200 -91.000 TYR 193 0.840 -34.989 -55.044 28.857 -99.200 -91.000 TYR 214 0.840 -22.984 -40.490 38.723 -99.200 -91.000 TYR 216 0.840 -34.385 -36.817 39.519 -99.200 -91.000 PHE 235 1.000 -25.041 -32.543 28.086 -99.200 -91.000 PHE 251 1.000 -13.237 -30.226 19.822 -99.200 -91.000 PHE 255 1.000 -18.105 -31.846 19.269 -99.200 -91.000 TRP 256 1.040 -18.041 -28.903 23.505 -99.200 -91.000 TRP6 256 1.020 -17.038 -30.985 23.961 -99.200 -91.000 TRP 264 1.040 -10.269 -33.403 13.607 -99.200 -91.000 TRP6 264 1.020 -12.114 -34.093 14.907 -99.200 -91.000 TRP 271 1.040 -10.401 -41.865 16.202 -99.200 -91.000 TRP6 271 1.020 -12.701 -41.363 16.389 -99.200 -91.000 PHE 274 1.000 -12.481 -35.561 20.766 -99.200 -91.000 TYR 280 0.840 -16.223 -47.493 37.926 -99.200 -91.000 PHE 290 1.000 -20.870 -54.552 35.205 -99.200 -91.000 TYR 299 0.840 -16.911 -39.513 23.787 -99.200 -91.000 TYR 308 0.840 -15.729 -38.480 13.361 -99.200 -91.000 PHE 310 1.000 -20.517 -34.481 23.352 -99.200 -91.000 PHE 329 1.000 -19.447 -51.387 26.501 -99.200 -91.000 TYR 330 0.840 -23.394 -60.667 22.748 -99.200 -91.000 PHE 333 1.000 -30.863 -55.616 26.431 -99.200 -91.000 PHE 342 1.000 -24.030 -53.305 29.980 -99.200 -91.000 HIS 348 0.900 -14.516 -52.310 20.816 -99.200 -91.000 HIS 350 0.900 -10.761 -51.733 18.440 -99.200 -91.000 PHE 353 1.000 -1.440 -46.607 18.892 -99.200 -91.000 PHE 362 1.000 -13.443 -51.571 38.950 -99.200 -91.000 TYR 372 0.840 -35.651 -39.938 42.873 -99.200 -91.000