============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 3 1.000 13.703 57.283 -80.988 -99.200 -91.000 PHE 5 1.000 3.815 58.304 -82.093 -99.200 -91.000 TYR 8 0.840 3.537 50.733 -84.293 -99.200 -91.000 PHE 21 1.000 3.522 46.605 -74.311 -99.200 -91.000 PHE 22 1.000 8.058 51.166 -79.213 -99.200 -91.000 HIS 60 0.900 22.187 62.922 -69.459 -99.200 -91.000 PHE 63 1.000 15.054 60.872 -70.340 -99.200 -91.000 PHE 77 1.000 0.928 53.651 -63.329 -99.200 -91.000 PHE 86 1.000 25.394 42.885 -67.808 -99.200 -91.000 PHE 97 1.000 29.124 55.781 -69.250 -99.200 -91.000 TYR 105 0.840 20.098 58.335 -67.403 -99.200 -91.000 PHE 110 1.000 26.580 44.629 -62.909 -99.200 -91.000 PHE 114 1.000 29.984 41.004 -73.259 -99.200 -91.000 TYR 127 0.840 21.927 43.341 -62.966 -99.200 -91.000 TYR 154 0.840 16.060 45.008 -66.434 -99.200 -91.000 PHE 156 1.000 5.288 42.716 -64.685 -99.200 -91.000 PHE 157 1.000 1.550 49.779 -66.394 -99.200 -91.000 TRP 161 1.040 -8.142 47.969 -66.203 -99.200 -91.000 TRP6 161 1.020 -7.011 49.170 -67.893 -99.200 -91.000 PHE 165 1.000 -12.537 46.382 -68.580 -99.200 -91.000 HIS 167 0.900 -17.175 38.547 -59.785 -99.200 -91.000 PHE 175 1.000 -8.206 40.068 -81.888 -99.200 -91.000 TYR 176 0.840 -14.097 37.844 -86.744 -99.200 -91.000 TYR 194 0.840 -15.634 52.964 -70.954 -99.200 -91.000 HIS 195 0.900 -11.836 61.397 -71.032 -99.200 -91.000 TYR 196 0.840 -16.215 56.990 -79.748 -99.200 -91.000 TYR 211 0.840 -3.475 51.043 -66.755 -99.200 -91.000 PHE 219 1.000 -6.886 49.411 -74.310 -99.200 -91.000 TRP 242 1.040 -6.200 60.552 -82.070 -99.200 -91.000 TRP6 242 1.020 -5.023 58.507 -82.085 -99.200 -91.000 PHE 246 1.000 -9.676 60.096 -75.885 -99.200 -91.000 TYR 254 0.840 -19.154 43.702 -75.120 -99.200 -91.000 PHE 258 1.000 -4.115 43.148 -74.274 -99.200 -91.000 TYR 264 0.840 10.504 44.855 -80.147 -99.200 -91.000 PHE 279 1.000 23.071 51.015 -81.924 -99.200 -91.000 HIS 282 0.900 33.662 53.236 -89.349 -99.200 -91.000 HIS 291 0.900 40.025 48.922 -75.853 -99.200 -91.000 HIS 301 0.900 12.457 48.348 -74.503 -99.200 -91.000 PHE 322 1.000 -37.962 52.770 -65.936 -99.200 -91.000 PHE 324 1.000 -38.556 61.954 -72.179 -99.200 -91.000 PHE 332 1.000 -10.932 48.581 -78.607 -99.200 -91.000 PHE 336 1.000 -6.511 45.707 -78.847 -99.200 -91.000 PHE 339 1.000 -0.690 55.484 -78.911 -99.200 -91.000 PHE 347 1.000 4.934 49.951 -70.668 -99.200 -91.000