============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 15 1.040 -14.106 26.165 0.691 -99.200 -91.000 TRP6 15 1.020 -12.273 27.630 0.376 -99.200 -91.000 TYR 18 0.840 -10.327 28.136 -11.277 -99.200 -91.000 PHE 33 1.000 5.581 15.177 -19.043 -99.200 -91.000 PHE 39 1.000 3.608 24.624 -7.541 -99.200 -91.000 HIS 44 0.900 -0.468 40.442 -15.281 -99.200 -91.000 PHE 50 1.000 3.976 27.004 -12.229 -99.200 -91.000 PHE 51 1.000 3.309 18.932 -14.862 -99.200 -91.000 HIS 62 0.900 12.105 4.657 -19.810 -99.200 -91.000 TYR 73 0.840 16.976 9.995 -14.339 -99.200 -91.000 TYR 88 0.840 2.618 14.674 -27.244 -99.200 -91.000 PHE 92 1.000 13.089 22.622 -17.974 -99.200 -91.000 TRP 97 1.040 16.091 16.686 -5.845 -99.200 -91.000 TRP6 97 1.020 16.113 17.711 -3.698 -99.200 -91.000 HIS 103 0.900 3.028 36.961 -13.229 -99.200 -91.000 TRP 108 1.040 4.494 32.814 -14.781 -99.200 -91.000 TRP6 108 1.020 3.135 32.026 -13.006 -99.200 -91.000 TYR 126 0.840 10.921 38.430 -12.502 -99.200 -91.000 TRP 137 1.040 20.522 26.608 6.416 -99.200 -91.000 TRP6 137 1.020 18.662 26.728 4.958 -99.200 -91.000 PHE 157 1.000 7.819 38.648 1.033 -99.200 -91.000 TYR 171 0.840 12.164 24.469 11.003 -99.200 -91.000 TYR 192 0.840 6.921 26.634 16.907 -99.200 -91.000 HIS 193 0.900 10.016 18.781 10.845 -99.200 -91.000 TYR 194 0.840 7.270 26.488 10.985 -99.200 -91.000 TYR 200 0.840 -3.314 32.761 3.550 -99.200 -91.000 TRP 214 1.040 10.600 16.124 16.111 -99.200 -91.000 TRP6 214 1.020 11.416 18.155 16.960 -99.200 -91.000 HIS 215 0.900 7.941 17.715 18.175 -99.200 -91.000 TRP 221 1.040 0.045 29.718 13.302 -99.200 -91.000 TRP6 221 1.020 0.844 31.894 13.770 -99.200 -91.000 PHE 224 1.000 6.704 35.569 5.654 -99.200 -91.000 TYR 230 0.840 10.511 34.893 12.961 -99.200 -91.000 TYR 234 0.840 3.130 23.442 15.858 -99.200 -91.000 PHE 240 1.000 -6.191 17.183 17.357 -99.200 -91.000 PHE 267 1.000 -6.178 24.217 1.849 -99.200 -91.000 PHE 269 1.000 -6.974 29.789 1.951 -99.200 -91.000 TYR 271 0.840 -11.537 34.012 5.599 -99.200 -91.000 TRP 276 1.040 -13.460 28.678 5.494 -99.200 -91.000 TRP6 276 1.020 -15.126 27.035 5.122 -99.200 -91.000 PHE 289 1.000 -8.595 18.300 1.179 -99.200 -91.000 TRP 293 1.040 -16.517 29.115 9.708 -99.200 -91.000 TRP6 293 1.020 -14.624 30.534 9.689 -99.200 -91.000 TRP 298 1.040 -4.565 31.471 13.686 -99.200 -91.000 TRP6 298 1.020 -3.989 30.370 11.679 -99.200 -91.000 PHE 305 1.000 -16.885 20.285 12.519 -99.200 -91.000 TRP 317 1.040 -6.666 5.403 -3.145 -99.200 -91.000 TRP6 317 1.020 -6.157 4.682 -0.965 -99.200 -91.000 TYR 320 0.840 2.446 16.073 -0.605 -99.200 -91.000 PHE 324 1.000 -5.727 28.028 -6.892 -99.200 -91.000 HIS 327 0.900 -2.203 38.718 -5.500 -99.200 -91.000 PHE 340 1.000 -9.908 23.374 -1.465 -99.200 -91.000 TRP 341 1.040 -2.626 23.133 -4.990 -99.200 -91.000 TRP6 341 1.020 -1.444 21.210 -4.288 -99.200 -91.000 TRP 355 1.040 1.558 3.663 -13.008 -99.200 -91.000 TRP6 355 1.020 -0.296 4.861 -12.163 -99.200 -91.000 PHE 363 1.000 -13.369 21.624 -4.929 -99.200 -91.000 TRP 373 1.040 -21.546 14.649 -5.830 -99.200 -91.000 TRP6 373 1.020 -21.189 14.705 -8.169 -99.200 -91.000 TRP 375 1.040 -16.681 17.309 -8.193 -99.200 -91.000 TRP6 375 1.020 -17.507 18.483 -6.308 -99.200 -91.000 PHE 383 1.000 -3.758 3.667 -16.236 -99.200 -91.000