============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 7 0.840 -68.717 -10.848 87.930 -99.200 -91.000 PHE 10 1.000 -72.139 -11.214 83.906 -99.200 -91.000 PHE 20 1.000 -72.865 8.747 84.932 -99.200 -91.000 PHE 23 1.000 -78.334 7.636 91.464 -99.200 -91.000 TYR 34 0.840 -73.875 -2.370 97.843 -99.200 -91.000 PHE 36 1.000 -74.685 0.864 86.938 -99.200 -91.000 TRP 71 1.040 -51.206 -1.995 91.907 -99.200 -91.000 TRP6 71 1.020 -50.106 -0.142 90.887 -99.200 -91.000 TYR 72 0.840 -57.002 -2.337 85.984 -99.200 -91.000 PHE 76 1.000 -63.304 -9.619 89.121 -99.200 -91.000 TYR 82 0.840 -68.380 -4.509 99.820 -99.200 -91.000 PHE 96 1.000 -69.658 -0.608 96.682 -99.200 -91.000 HIS 107 0.900 -57.861 0.671 89.990 -99.200 -91.000 TYR 121 0.840 -43.124 -4.372 73.266 -99.200 -91.000 PHE 125 1.000 -38.505 -7.423 74.374 -99.200 -91.000 PHE 127 1.000 -42.783 2.632 66.309 -99.200 -91.000 PHE 130 1.000 -50.206 -6.130 62.917 -99.200 -91.000 TYR 137 0.840 -58.593 -2.837 69.540 -99.200 -91.000 PHE 138 1.000 -53.846 -2.808 76.823 -99.200 -91.000 PHE 142 1.000 -55.058 0.079 81.231 -99.200 -91.000 TYR 143 0.840 -53.629 4.946 78.939 -99.200 -91.000 PHE 149 1.000 -61.843 0.736 85.351 -99.200 -91.000 HIS 156 0.900 -71.710 4.957 95.703 -99.200 -91.000 PHE 160 1.000 -75.168 8.093 96.833 -99.200 -91.000 HIS 166 0.900 -66.353 23.105 91.524 -99.200 -91.000 HIS 169 0.900 -70.135 21.885 89.432 -99.200 -91.000 TYR 187 0.840 -54.809 31.076 76.045 -99.200 -91.000 TYR 197 0.840 -38.467 26.214 78.362 -99.200 -91.000 TYR 198 0.840 -41.640 27.779 75.113 -99.200 -91.000 PHE 209 1.000 -74.250 32.059 65.101 -99.200 -91.000 TYR 222 0.840 -68.460 17.002 78.580 -99.200 -91.000 HIS 226 0.900 -64.441 13.553 82.033 -99.200 -91.000 PHE 228 1.000 -58.336 23.100 83.498 -99.200 -91.000 HIS 229 0.900 -56.579 15.543 80.800 -99.200 -91.000 PHE 232 1.000 -52.622 22.159 80.975 -99.200 -91.000 PHE 235 1.000 -57.109 27.077 74.793 -99.200 -91.000 TYR 246 0.840 -45.128 34.088 64.503 -99.200 -91.000 TYR 253 0.840 -44.222 35.887 70.476 -99.200 -91.000 PHE 287 1.000 -54.971 12.238 67.017 -99.200 -91.000 TYR 289 0.840 -52.063 5.993 73.481 -99.200 -91.000 TYR 291 0.840 -44.491 6.680 64.866 -99.200 -91.000 TYR 294 0.840 -48.621 7.556 76.749 -99.200 -91.000 TYR 302 0.840 -60.198 12.631 80.183 -99.200 -91.000 TYR 305 0.840 -66.311 8.479 79.391 -99.200 -91.000 PHE 306 1.000 -69.765 11.122 79.621 -99.200 -91.000 TYR 313 0.840 -59.816 18.322 60.425 -99.200 -91.000 TYR 325 0.840 -66.265 18.364 65.656 -99.200 -91.000 PHE 334 1.000 -77.197 6.978 75.242 -99.200 -91.000 PHE 340 1.000 -62.327 -10.686 75.631 -99.200 -91.000 TRP 345 1.040 -59.293 -14.060 71.136 -99.200 -91.000 TRP6 345 1.020 -59.065 -15.161 69.026 -99.200 -91.000 HIS 347 0.900 -59.442 -4.614 66.331 -99.200 -91.000 TYR 348 0.840 -56.135 -6.950 72.283 -99.200 -91.000 TRP 357 1.040 -56.243 0.880 49.190 -99.200 -91.000 TRP6 357 1.020 -57.303 2.041 47.420 -99.200 -91.000