============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 22 1.040 80.957 59.604 57.491 -99.200 -91.000 TRP6 22 1.020 79.969 59.630 55.342 -99.200 -91.000 PHE 45 1.000 69.005 21.683 57.143 -99.200 -91.000 TYR 52 0.840 74.255 18.578 47.831 -99.200 -91.000 PHE 54 1.000 81.355 26.755 51.759 -99.200 -91.000 PHE 64 1.000 78.836 36.730 56.703 -99.200 -91.000 TYR 67 0.840 75.921 39.048 64.931 -99.200 -91.000 PHE 74 1.000 73.110 43.006 66.405 -99.200 -91.000 TRP 79 1.040 70.970 45.671 70.074 -99.200 -91.000 TRP6 79 1.020 69.619 47.472 70.798 -99.200 -91.000 PHE 88 1.000 62.834 40.462 59.565 -99.200 -91.000 TYR 91 0.840 71.444 42.276 61.772 -99.200 -91.000 TRP 105 1.040 60.231 61.482 68.987 -99.200 -91.000 TRP6 105 1.020 59.264 63.499 69.753 -99.200 -91.000 PHE 148 1.000 57.373 32.867 70.707 -99.200 -91.000 PHE 149 1.000 57.135 29.211 60.073 -99.200 -91.000 HIS 161 0.900 59.310 42.274 67.172 -99.200 -91.000 TYR 166 0.840 62.326 52.752 71.038 -99.200 -91.000 PHE 168 1.000 58.285 56.008 69.077 -99.200 -91.000 HIS 173 0.900 53.815 52.098 55.095 -99.200 -91.000 HIS 184 0.900 59.508 52.543 46.433 -99.200 -91.000 PHE 195 1.000 46.507 63.685 53.612 -99.200 -91.000 PHE 218 1.000 69.102 37.246 45.873 -99.200 -91.000 PHE 228 1.000 86.523 39.620 40.902 -99.200 -91.000 PHE 239 1.000 79.004 53.200 38.782 -99.200 -91.000 PHE 246 1.000 72.920 40.898 44.351 -99.200 -91.000 TYR 260 0.840 62.302 73.813 58.720 -99.200 -91.000 HIS 262 0.900 57.377 67.420 66.633 -99.200 -91.000 TYR 271 0.840 72.196 64.065 61.503 -99.200 -91.000 TYR 277 0.840 58.853 58.071 47.870 -99.200 -91.000 HIS 284 0.900 63.184 45.528 29.523 -99.200 -91.000 HIS 285 0.900 63.922 40.061 32.562 -99.200 -91.000 TYR 316 0.840 77.447 61.113 46.990 -99.200 -91.000 HIS 320 0.900 70.214 49.534 43.526 -99.200 -91.000 PHE 339 1.000 72.149 64.267 37.905 -99.200 -91.000 HIS 342 0.900 76.463 69.256 38.089 -99.200 -91.000 PHE 350 1.000 79.268 59.241 38.424 -99.200 -91.000 HIS 359 0.900 71.743 44.913 46.503 -99.200 -91.000 PHE 371 1.000 76.892 54.531 53.805 -99.200 -91.000 HIS 377 0.900 76.134 66.503 60.319 -99.200 -91.000 HIS 378 0.900 80.226 63.957 59.287 -99.200 -91.000 PHE 394 1.000 81.185 55.378 34.531 -99.200 -91.000 PHE 398 1.000 79.250 59.831 32.974 -99.200 -91.000 PHE 417 1.000 67.822 52.441 39.983 -99.200 -91.000 PHE 419 1.000 65.937 40.527 41.409 -99.200 -91.000 PHE 428 1.000 67.709 62.122 52.113 -99.200 -91.000