============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 3 1.000 9.500 -33.042 -20.141 -99.200 -91.000 TYR 9 0.840 15.295 -27.739 -16.694 -99.200 -91.000 PHE 10 1.000 17.867 -34.826 -11.187 -99.200 -91.000 TRP 23 1.040 18.496 -19.509 4.879 -99.200 -91.000 TRP6 23 1.020 17.786 -17.615 6.083 -99.200 -91.000 PHE 24 1.000 19.643 -28.292 10.697 -99.200 -91.000 HIS 25 0.900 25.033 -26.395 8.738 -99.200 -91.000 PHE 30 1.000 21.183 -14.389 14.420 -99.200 -91.000 TRP 48 1.040 16.399 -35.853 -5.227 -99.200 -91.000 TRP6 48 1.020 15.467 -37.587 -3.913 -99.200 -91.000 PHE 51 1.000 13.313 -31.091 -11.661 -99.200 -91.000 TYR 55 0.840 18.368 -39.206 -15.600 -99.200 -91.000 TYR 57 0.840 7.993 -40.983 -19.322 -99.200 -91.000 TYR 61 0.840 8.202 -45.560 -20.902 -99.200 -91.000 TYR 62 0.840 11.998 -39.609 -24.130 -99.200 -91.000 PHE 63 1.000 19.817 -47.264 -21.280 -99.200 -91.000 TYR 70 0.840 28.108 -43.875 -18.592 -99.200 -91.000 HIS 71 0.900 28.627 -44.891 -23.583 -99.200 -91.000 PHE 76 1.000 31.984 -37.268 -17.620 -99.200 -91.000 PHE 78 1.000 26.012 -30.520 -17.544 -99.200 -91.000 TYR 94 0.840 21.245 -37.013 10.866 -99.200 -91.000 TRP 96 1.040 11.773 -32.736 9.633 -99.200 -91.000 TRP6 96 1.020 12.050 -31.710 7.518 -99.200 -91.000 TRP 106 1.040 25.904 -45.180 4.202 -99.200 -91.000 TRP6 106 1.020 28.240 -45.190 3.911 -99.200 -91.000 PHE 115 1.000 28.626 -40.426 -13.745 -99.200 -91.000 TRP 124 1.040 42.641 -40.275 -16.062 -99.200 -91.000 TRP6 124 1.020 43.650 -41.246 -14.188 -99.200 -91.000 PHE 129 1.000 38.592 -33.893 -21.668 -99.200 -91.000 HIS 135 0.900 32.435 -27.360 -22.259 -99.200 -91.000 PHE 138 1.000 36.921 -33.651 -15.169 -99.200 -91.000 TYR 139 0.840 35.815 -26.888 -11.491 -99.200 -91.000 PHE 147 1.000 35.569 -30.383 -2.283 -99.200 -91.000 TYR 158 0.840 29.670 -43.935 9.061 -99.200 -91.000 HIS 159 0.900 32.966 -35.965 12.164 -99.200 -91.000 TYR 163 0.840 39.157 -34.511 8.152 -99.200 -91.000 PHE 165 1.000 33.865 -40.938 -0.190 -99.200 -91.000 PHE 166 1.000 38.350 -31.244 2.532 -99.200 -91.000 TRP 173 1.040 39.412 -26.529 -6.912 -99.200 -91.000 TRP6 173 1.020 39.720 -25.491 -4.833 -99.200 -91.000 PHE 176 1.000 38.763 -29.766 -15.057 -99.200 -91.000 HIS 183 0.900 39.428 -25.162 -23.589 -99.200 -91.000 PHE 193 1.000 28.690 -25.853 -24.790 -99.200 -91.000 PHE 205 1.000 32.968 -18.858 -1.736 -99.200 -91.000 TYR 211 0.840 39.175 -28.015 6.988 -99.200 -91.000 HIS 216 0.900 34.183 -32.390 15.209 -99.200 -91.000 TRP 227 1.040 34.749 -17.950 3.228 -99.200 -91.000 TRP6 227 1.020 33.997 -16.200 4.631 -99.200 -91.000 TYR 229 0.840 41.455 -19.726 -6.326 -99.200 -91.000 PHE 231 1.000 34.352 -14.017 0.232 -99.200 -91.000 PHE 235 1.000 35.788 -9.743 -4.576 -99.200 -91.000 PHE 236 1.000 39.986 -13.053 -10.902 -99.200 -91.000 PHE 241 1.000 25.424 -12.406 -14.433 -99.200 -91.000 TRP 243 1.040 32.425 -13.527 -22.534 -99.200 -91.000 TRP6 243 1.020 32.882 -15.526 -21.389 -99.200 -91.000 TRP 254 1.040 17.824 -22.183 -11.158 -99.200 -91.000 TRP6 254 1.020 17.511 -22.216 -8.817 -99.200 -91.000 PHE 256 1.000 27.126 -17.569 -11.954 -99.200 -91.000 PHE 258 1.000 27.183 -27.805 -5.002 -99.200 -91.000 PHE 270 1.000 35.385 -18.371 7.202 -99.200 -91.000 TYR 271 0.840 27.525 -13.602 12.925 -99.200 -91.000 HIS 272 0.900 27.054 -20.726 14.163 -99.200 -91.000 PHE 282 1.000 29.185 -9.266 -0.004 -99.200 -91.000 PHE 284 1.000 22.666 -16.611 5.548 -99.200 -91.000 PHE 286 1.000 26.588 -11.510 -4.228 -99.200 -91.000 TYR 300 0.840 9.100 -13.529 -16.957 -99.200 -91.000 PHE 307 1.000 11.344 -25.501 -14.734 -99.200 -91.000 PHE 308 1.000 9.266 -29.293 -16.329 -99.200 -91.000