============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 73.366 17.163 118.562 -99.200 -91.000 HIS 22 0.900 66.320 12.400 105.355 -99.200 -91.000 HIS 24 0.900 67.021 16.420 101.514 -99.200 -91.000 PHE 28 1.000 68.788 21.248 91.268 -99.200 -91.000 TRP 36 1.040 61.926 26.241 80.783 -99.200 -91.000 TRP6 36 1.020 61.037 24.052 80.825 -99.200 -91.000 HIS 38 0.900 62.526 31.136 83.466 -99.200 -91.000 TYR 40 0.840 65.076 26.110 89.584 -99.200 -91.000 PHE 46 1.000 76.902 30.810 99.371 -99.200 -91.000 PHE 59 1.000 70.229 27.099 118.376 -99.200 -91.000 PHE 78 1.000 73.849 25.304 97.190 -99.200 -91.000 TYR 97 0.840 63.038 11.127 96.693 -99.200 -91.000 TYR 99 0.840 58.080 9.399 95.938 -99.200 -91.000 PHE 104 1.000 61.380 6.790 78.997 -99.200 -91.000 TYR 105 0.840 72.311 5.597 81.479 -99.200 -91.000 PHE 106 1.000 69.425 4.619 85.621 -99.200 -91.000 PHE 118 1.000 73.137 3.488 93.334 -99.200 -91.000 HIS 120 0.900 82.527 7.334 89.012 -99.200 -91.000 PHE 135 1.000 74.442 9.421 102.761 -99.200 -91.000 HIS 169 0.900 60.813 9.413 100.757 -99.200 -91.000 HIS 173 0.900 50.641 6.746 107.650 -99.200 -91.000 HIS 198 0.900 61.262 10.363 105.133 -99.200 -91.000 TYR 207 0.840 55.772 -0.052 109.696 -99.200 -91.000 PHE 217 1.000 71.435 2.852 113.888 -99.200 -91.000 TYR 223 0.840 60.622 15.487 116.298 -99.200 -91.000 PHE 228 1.000 54.874 14.561 105.370 -99.200 -91.000 TYR 246 0.840 62.269 -0.688 121.042 -99.200 -91.000 HIS 254 0.900 65.407 19.585 112.694 -99.200 -91.000 TYR 256 0.840 64.241 24.142 106.721 -99.200 -91.000 TRP 262 1.040 59.899 18.281 94.866 -99.200 -91.000 TRP6 262 1.020 59.456 16.445 96.294 -99.200 -91.000 TYR 269 0.840 51.534 25.833 99.063 -99.200 -91.000 TRP 277 1.040 60.536 21.365 107.946 -99.200 -91.000 TRP6 277 1.020 60.192 21.650 105.623 -99.200 -91.000 PHE 283 1.000 70.018 21.531 118.322 -99.200 -91.000 PHE 289 1.000 57.319 16.338 125.307 -99.200 -91.000 PHE 304 1.000 69.623 14.335 118.592 -99.200 -91.000 PHE 311 1.000 73.260 4.840 108.995 -99.200 -91.000 PHE 312 1.000 77.501 8.069 108.372 -99.200 -91.000