============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 4 1.000 10.756 -19.241 -7.808 -99.200 -91.000 TYR 8 0.840 13.174 -22.342 -4.974 -99.200 -91.000 PHE 19 1.000 10.866 -13.205 -26.406 -99.200 -91.000 PHE 34 1.000 18.676 -24.522 -5.415 -99.200 -91.000 PHE 44 1.000 9.457 -18.043 -25.987 -99.200 -91.000 HIS 63 0.900 12.370 -33.544 -16.215 -99.200 -91.000 HIS 67 0.900 28.387 -34.625 -18.825 -99.200 -91.000 HIS 69 0.900 32.547 -31.010 -16.772 -99.200 -91.000 TYR 77 0.840 8.377 -24.116 -8.076 -99.200 -91.000 TYR 84 0.840 8.119 -17.736 -11.251 -99.200 -91.000 PHE 87 1.000 18.006 -23.808 -15.910 -99.200 -91.000 PHE 89 1.000 24.549 -18.361 -7.874 -99.200 -91.000 PHE 97 1.000 32.102 -10.658 -18.326 -99.200 -91.000 PHE 107 1.000 45.076 -17.006 -8.399 -99.200 -91.000 TYR 109 0.840 43.767 -18.345 -20.433 -99.200 -91.000 HIS 116 0.900 40.986 -29.006 -16.427 -99.200 -91.000 TYR 117 0.840 38.956 -23.028 -17.572 -99.200 -91.000 TYR 127 0.840 24.094 -36.166 -21.009 -99.200 -91.000 HIS 129 0.900 26.951 -33.037 -30.578 -99.200 -91.000 HIS 135 0.900 24.036 -24.636 -26.407 -99.200 -91.000 HIS 141 0.900 25.504 -14.883 -21.632 -99.200 -91.000 PHE 159 1.000 22.283 -27.375 -23.080 -99.200 -91.000 HIS 180 0.900 30.007 -11.364 -33.309 -99.200 -91.000 PHE 181 1.000 29.891 -16.472 -30.286 -99.200 -91.000 TYR 192 0.840 20.491 -26.148 -38.282 -99.200 -91.000 TRP 199 1.040 31.332 -22.077 -37.086 -99.200 -91.000 TRP6 199 1.020 32.700 -22.231 -39.007 -99.200 -91.000 PHE 206 1.000 40.349 -17.073 -34.212 -99.200 -91.000 PHE 215 1.000 34.882 -16.963 -39.049 -99.200 -91.000 TYR 216 0.840 36.868 -8.601 -36.872 -99.200 -91.000 PHE 223 1.000 25.632 -13.960 -46.033 -99.200 -91.000 TYR 231 0.840 40.490 -19.314 -39.260 -99.200 -91.000 TRP 238 1.040 45.704 -16.235 -33.287 -99.200 -91.000 TRP6 238 1.020 44.766 -18.336 -32.719 -99.200 -91.000 HIS 240 0.900 54.163 -15.109 -27.210 -99.200 -91.000 TYR 264 0.840 30.761 -38.663 -30.323 -99.200 -91.000 HIS 269 0.900 44.244 -31.793 -32.022 -99.200 -91.000 TRP 271 1.040 46.300 -27.696 -27.332 -99.200 -91.000 TRP6 271 1.020 44.425 -26.402 -26.715 -99.200 -91.000 TYR 278 0.840 51.267 -34.155 -28.348 -99.200 -91.000 TYR 280 0.840 53.794 -24.365 -26.876 -99.200 -91.000 HIS 283 0.900 49.474 -14.984 -17.732 -99.200 -91.000 PHE 294 1.000 34.639 -12.071 -26.331 -99.200 -91.000 HIS 311 0.900 11.581 -5.745 -29.932 -99.200 -91.000 PHE 313 1.000 15.094 -14.913 -29.350 -99.200 -91.000 PHE 316 1.000 24.416 -13.233 -40.226 -99.200 -91.000 TYR 317 0.840 21.585 -9.847 -34.185 -99.200 -91.000