============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 10 1.000 8.956 -15.411 -37.335 -99.200 -91.000 PHE 39 1.000 18.607 -41.234 -37.166 -99.200 -91.000 TYR 48 0.840 24.787 -47.457 -41.321 -99.200 -91.000 TYR 59 0.840 18.233 -26.207 -50.459 -99.200 -91.000 PHE 86 1.000 25.897 -37.350 -28.740 -99.200 -91.000 PHE 87 1.000 28.755 -32.895 -36.186 -99.200 -91.000 TYR 88 0.840 27.269 -39.582 -40.045 -99.200 -91.000 PHE 89 1.000 25.054 -42.913 -36.375 -99.200 -91.000 PHE 90 1.000 22.232 -33.648 -30.833 -99.200 -91.000 HIS 92 0.900 23.460 -37.395 -41.481 -99.200 -91.000 PHE 93 1.000 15.991 -37.808 -33.731 -99.200 -91.000 PHE 95 1.000 21.093 -31.711 -41.260 -99.200 -91.000 TYR 96 0.840 14.065 -39.982 -39.281 -99.200 -91.000 TYR 104 0.840 2.522 -33.318 -43.511 -99.200 -91.000 PHE 108 1.000 10.605 -28.334 -38.485 -99.200 -91.000 PHE 112 1.000 21.529 -23.100 -25.811 -99.200 -91.000 PHE 114 1.000 15.005 -31.204 -24.782 -99.200 -91.000 TYR 115 0.840 19.179 -28.828 -30.495 -99.200 -91.000 TYR 118 0.840 24.109 -34.588 -25.324 -99.200 -91.000 PHE 130 1.000 17.847 -22.294 -34.993 -99.200 -91.000 TYR 132 0.840 18.452 -29.644 -44.133 -99.200 -91.000 TYR 134 0.840 18.882 -17.885 -44.095 -99.200 -91.000 TYR 156 0.840 21.914 -15.419 -23.353 -99.200 -91.000 PHE 159 1.000 23.687 -19.524 -29.871 -99.200 -91.000 PHE 161 1.000 16.777 -12.741 -32.754 -99.200 -91.000 TYR 163 0.840 27.353 -19.583 -34.787 -99.200 -91.000 TYR 174 0.840 10.167 -11.531 -11.637 -99.200 -91.000 TYR 185 0.840 16.996 -0.687 -32.834 -99.200 -91.000 TYR 192 0.840 13.755 -1.876 -36.134 -99.200 -91.000 TYR 193 0.840 17.627 -9.188 -35.096 -99.200 -91.000 PHE 196 1.000 6.400 -16.356 -30.829 -99.200 -91.000 PHE 209 1.000 6.914 -17.102 -7.838 -99.200 -91.000 TYR 221 0.840 -2.984 -14.146 -17.206 -99.200 -91.000 TYR 234 0.840 10.758 3.729 -26.953 -99.200 -91.000 PHE 243 1.000 5.692 -12.161 -34.159 -99.200 -91.000 PHE 246 1.000 1.149 -11.152 -25.458 -99.200 -91.000 TYR 253 0.840 -7.707 -25.961 -21.601 -99.200 -91.000 TYR 258 0.840 -7.823 -10.761 -19.269 -99.200 -91.000 TYR 262 0.840 -9.713 -7.953 -21.229 -99.200 -91.000 PHE 263 1.000 -3.242 -7.635 -23.993 -99.200 -91.000 TYR 267 0.840 1.977 -12.067 -35.044 -99.200 -91.000 HIS 281 0.900 -13.096 -28.136 -30.216 -99.200 -91.000 TYR 288 0.840 -10.002 -19.058 -35.877 -99.200 -91.000 HIS 289 0.900 -6.182 -12.839 -35.757 -99.200 -91.000 TYR 292 0.840 -6.067 -20.644 -40.560 -99.200 -91.000 TYR 308 0.840 6.928 -46.245 -39.086 -99.200 -91.000 TYR 316 0.840 -0.254 -34.734 -32.881 -99.200 -91.000 TYR 317 0.840 -1.114 -29.933 -42.870 -99.200 -91.000