============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 2 1.000 -21.841 89.870 28.601 -99.200 -91.000 TYR 4 0.840 -22.202 93.993 25.159 -99.200 -91.000 TYR 10 0.840 -11.341 92.977 40.999 -99.200 -91.000 TYR 17 0.840 -16.494 80.450 38.970 -99.200 -91.000 TYR 32 0.840 5.151 78.520 16.971 -99.200 -91.000 TYR 44 0.840 -9.729 76.330 28.146 -99.200 -91.000 TYR 47 0.840 -17.099 68.991 29.399 -99.200 -91.000 TYR 49 0.840 -12.211 71.944 19.237 -99.200 -91.000 TYR 55 0.840 -15.693 75.835 19.536 -99.200 -91.000 PHE 58 1.000 -8.019 86.945 25.426 -99.200 -91.000 TYR 59 0.840 -4.126 83.643 18.734 -99.200 -91.000 HIS 62 0.900 5.428 85.148 28.492 -99.200 -91.000 PHE 72 1.000 -3.931 77.903 29.664 -99.200 -91.000 HIS 84 0.900 -14.977 75.525 38.470 -99.200 -91.000 PHE 101 1.000 7.413 88.599 26.527 -99.200 -91.000 PHE 111 1.000 3.830 86.694 19.944 -99.200 -91.000 TYR 112 0.840 4.655 94.000 15.188 -99.200 -91.000 PHE 115 1.000 -1.422 87.265 16.920 -99.200 -91.000 PHE 122 1.000 1.486 75.015 15.055 -99.200 -91.000 TYR 127 0.840 -5.831 72.902 18.167 -99.200 -91.000 TYR 130 0.840 -17.040 82.240 14.249 -99.200 -91.000 HIS 145 0.900 -16.444 86.298 14.325 -99.200 -91.000 PHE 148 1.000 -1.664 89.158 21.519 -99.200 -91.000 PHE 151 1.000 0.738 90.881 34.954 -99.200 -91.000 TRP 159 1.040 -1.216 98.991 25.307 -99.200 -91.000 TRP6 159 1.020 -3.314 99.990 24.921 -99.200 -91.000 TYR 160 0.840 5.183 98.367 20.315 -99.200 -91.000 TYR 168 0.840 -3.613 89.038 9.648 -99.200 -91.000 TYR 171 0.840 -14.382 91.948 20.370 -99.200 -91.000 PHE 172 1.000 -6.715 94.816 19.320 -99.200 -91.000 TYR 179 0.840 1.742 102.044 21.172 -99.200 -91.000 TRP 180 1.040 6.424 100.974 27.751 -99.200 -91.000 TRP6 180 1.020 8.254 99.720 28.534 -99.200 -91.000 TYR 181 0.840 5.606 104.828 17.710 -99.200 -91.000 TYR 206 0.840 -11.527 100.872 16.356 -99.200 -91.000 PHE 207 1.000 -16.013 96.254 19.499 -99.200 -91.000 PHE 209 1.000 -13.342 95.198 30.001 -99.200 -91.000 TYR 219 0.840 -4.327 104.374 37.990 -99.200 -91.000 HIS 234 0.900 -9.441 108.093 15.651 -99.200 -91.000 PHE 235 1.000 -9.756 103.950 20.909 -99.200 -91.000 TYR 237 0.840 -14.159 104.768 29.544 -99.200 -91.000 PHE 241 1.000 -16.278 96.552 24.770 -99.200 -91.000 PHE 246 1.000 -10.288 103.459 25.679 -99.200 -91.000 TYR 247 0.840 -15.325 99.988 31.785 -99.200 -91.000 PHE 248 1.000 -7.350 102.008 33.010 -99.200 -91.000 HIS 256 0.900 2.828 94.435 37.336 -99.200 -91.000 TRP 257 1.040 0.239 87.441 42.659 -99.200 -91.000 TRP6 257 1.020 -1.426 87.028 44.276 -99.200 -91.000 TRP 258 1.040 0.259 86.220 35.573 -99.200 -91.000 TRP6 258 1.020 -1.437 86.499 33.976 -99.200 -91.000 TYR 260 0.840 -5.027 91.269 44.146 -99.200 -91.000 HIS 263 0.900 -9.845 86.601 40.647 -99.200 -91.000 TYR 264 0.840 -7.122 93.113 37.015 -99.200 -91.000 TYR 266 0.840 -15.376 85.462 36.667 -99.200 -91.000 TYR 271 0.840