============================================================================= 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 3 1.000 -53.647 31.737 19.573 -99.200 -91.000 PHE 32 1.000 -40.642 15.267 1.597 -99.200 -91.000 TYR 41 0.840 -39.541 12.940 -7.012 -99.200 -91.000 TYR 52 0.840 -56.252 24.013 1.367 -99.200 -91.000 PHE 79 1.000 -32.226 23.607 2.191 -99.200 -91.000 PHE 80 1.000 -38.505 28.030 -2.176 -99.200 -91.000 TYR 81 0.840 -40.154 20.821 -5.625 -99.200 -91.000 PHE 82 1.000 -36.783 17.456 -3.350 -99.200 -91.000 PHE 83 1.000 -36.700 24.297 5.386 -99.200 -91.000 HIS 85 0.900 -43.893 20.461 -2.721 -99.200 -91.000 PHE 86 1.000 -40.151 17.052 6.661 -99.200 -91.000 PHE 88 1.000 -46.238 23.981 1.392 -99.200 -91.000 TYR 89 0.840 -44.654 13.686 4.437 -99.200 -91.000 TYR 97 0.840 -55.321 12.515 13.532 -99.200 -91.000 PHE 101 1.000 -49.508 21.578 12.145 -99.200 -91.000 PHE 105 1.000 -36.212 33.241 13.134 -99.200 -91.000 PHE 107 1.000 -35.274 22.978 14.891 -99.200 -91.000 TYR 108 0.840 -39.188 26.735 9.693 -99.200 -91.000 TYR 111 0.840 -30.972 25.219 6.459 -99.200 -91.000 PHE 123 1.000 -45.825 31.045 11.163 -99.200 -91.000 TYR 125 0.840 -50.477 24.063 2.827 -99.200 -91.000 TYR 127 0.840 -54.386 34.391 7.322 -99.200 -91.000 TYR 149 0.840 -37.113 40.264 17.305 -99.200 -91.000 PHE 152 1.000 -40.120 37.065 10.788 -99.200 -91.000 PHE 154 1.000 -47.789 38.670 17.044 -99.200 -91.000 TYR 156 0.840 -42.718 38.529 5.495 -99.200 -91.000 TYR 167 0.840 -32.411 37.621 33.171 -99.200 -91.000 TYR 178 0.840 -52.188 48.930 22.236 -99.200 -91.000 TYR 185 0.840 -56.077 45.723 21.534 -99.200 -91.000 TYR 186 0.840 -50.477 42.031 16.712 -99.200 -91.000 PHE 189 1.000 -49.059 30.374 24.374 -99.200 -91.000 PHE 202 1.000 -28.726 20.538 45.205 -99.200 -91.000 TYR 207 0.840 -42.958 29.356 39.446 -99.200 -91.000 TYR 220 0.840 -50.650 49.633 30.827 -99.200 -91.000 PHE 229 1.000 -53.526 33.220 24.818 -99.200 -91.000 PHE 232 1.000 -48.100 32.624 32.946 -99.200 -91.000 TYR 239 0.840 -44.224 15.769 35.735 -99.200 -91.000 TYR 244 0.840 -47.921 28.451 43.383 -99.200 -91.000 TYR 248 0.840 -50.943 33.000 43.077 -99.200 -91.000 PHE 249 1.000 -50.411 33.410 38.302 -99.200 -91.000 TYR 253 0.840 -55.969 31.141 26.873 -99.200 -91.000 HIS 265 0.900 -53.165 10.869 33.764 -99.200 -91.000 TYR 272 0.840 -59.139 19.052 32.555 -99.200 -91.000 HIS 273 0.900 -59.780 26.275 32.327 -99.200 -91.000 TYR 276 0.840 -60.525 20.143 25.612 -99.200 -91.000 TYR 292 0.840 -45.406 3.752 8.425 -99.200 -91.000 TYR 300 0.840 -47.220 11.154 20.563 -99.200 -91.000 TYR 301 0.840 -57.781 13.739 17.919 -99.200 -91.000