============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. TYR 9 0.840 28.106 34.501 70.379 -99.200 -91.000 HIS 10 0.900 27.959 40.183 63.638 -99.200 -91.000 TYR 16 0.840 19.783 31.569 47.574 -99.200 -91.000 PHE 19 1.000 12.273 37.530 49.320 -99.200 -91.000 TRP 34 1.040 4.412 54.965 59.548 -99.200 -91.000 TRP6 34 1.020 5.338 54.396 61.642 -99.200 -91.000 PHE 45 1.000 9.191 46.626 62.335 -99.200 -91.000 TYR 48 0.840 7.106 33.256 65.823 -99.200 -91.000 HIS 49 0.900 3.504 39.194 62.152 -99.200 -91.000 TYR 53 0.840 7.704 42.840 54.114 -99.200 -91.000 TYR 54 0.840 9.509 45.641 57.843 -99.200 -91.000 TRP 57 1.040 16.694 34.679 62.105 -99.200 -91.000 TRP6 57 1.020 16.434 35.972 64.065 -99.200 -91.000 TYR 59 0.840 10.910 35.596 66.680 -99.200 -91.000 TYR 61 0.840 7.710 32.679 72.520 -99.200 -91.000 PHE 62 1.000 11.519 25.366 72.338 -99.200 -91.000 TYR 66 0.840 14.475 35.145 69.715 -99.200 -91.000 TRP 88 1.040 25.879 38.750 61.375 -99.200 -91.000 TRP6 88 1.020 27.647 37.826 60.140 -99.200 -91.000 PHE 92 1.000 19.608 43.650 53.233 -99.200 -91.000 TYR 98 0.840 18.142 38.212 74.582 -99.200 -91.000 TRP 101 1.040 25.215 34.622 80.560 -99.200 -91.000 TRP6 101 1.020 24.424 32.452 80.024 -99.200 -91.000 PHE 106 1.000 14.364 41.930 74.030 -99.200 -91.000 TYR 107 0.840 13.049 43.764 78.639 -99.200 -91.000 HIS 124 0.900 0.712 50.029 70.115 -99.200 -91.000 HIS 126 0.900 4.915 39.904 69.149 -99.200 -91.000 HIS 131 0.900 7.884 42.565 74.653 -99.200 -91.000 PHE 144 1.000 7.463 52.125 74.333 -99.200 -91.000 TRP 153 1.040 -3.461 49.336 56.582 -99.200 -91.000 TRP6 153 1.020 -5.243 48.329 55.401 -99.200 -91.000 TYR 191 0.840 -0.640 7.025 61.130 -99.200 -91.000 PHE 209 1.000 14.137 27.711 47.216 -99.200 -91.000 TYR 211 0.840 20.956 27.988 53.869 -99.200 -91.000 TRP 218 1.040 0.431 22.102 58.118 -99.200 -91.000 TRP6 218 1.020 0.806 24.434 57.919 -99.200 -91.000 TRP 220 1.040 -3.523 20.405 59.246 -99.200 -91.000 TRP6 220 1.020 -3.831 22.750 59.238 -99.200 -91.000 PHE 221 1.000 -5.882 12.024 53.357 -99.200 -91.000 HIS 231 0.900 -7.157 26.668 60.096 -99.200 -91.000 PHE 250 1.000 -2.005 23.982 54.679 -99.200 -91.000 PHE 254 1.000 15.115 30.956 51.798 -99.200 -91.000 TYR 256 0.840 7.514 35.712 51.653 -99.200 -91.000 TYR 257 0.840 -0.383 29.428 54.195 -99.200 -91.000 PHE 265 1.000 -16.629 12.660 48.518 -99.200 -91.000 TRP 277 1.040 -16.403 18.038 45.368 -99.200 -91.000 TRP6 277 1.020 -15.524 15.995 44.565 -99.200 -91.000 HIS 284 0.900 -12.328 27.320 43.895 -99.200 -91.000 TYR 308 0.840 -21.647 28.734 49.320 -99.200 -91.000 TRP 311 1.040 -27.663 26.061 44.298 -99.200 -91.000 TRP6 311 1.020 -25.414 26.645 43.864 -99.200 -91.000 TYR 316 0.840 -25.975 23.075 56.063 -99.200 -91.000 PHE 319 1.000 -12.410 28.873 55.756 -99.200 -91.000 TYR 321 0.840 -17.356 33.478 50.204 -99.200 -91.000 HIS 323 0.900 -5.224 33.428 53.712 -99.200 -91.000 PHE 325 1.000 -2.227 32.757 49.986 -99.200 -91.000 HIS 330 0.900 0.842 26.303 62.852 -99.200 -91.000 TYR 331 0.840 5.035 29.108 63.704 -99.200 -91.000 TYR 332 0.840 5.195 32.844 60.594 -99.200 -91.000 TYR 372 0.840 -19.133 18.231 50.750 -99.200 -91.000 HIS 375 0.900 -5.938 28.076 49.345 -99.200 -91.000 PHE 391 1.000 -3.981 17.672 42.539 -99.200 -91.000 PHE 393 1.000 -11.368 24.009 40.111 -99.200 -91.000 HIS 397 0.900 -10.007 16.694 36.234 -99.200 -91.000