============================================================================= 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 5 1.000 6.609 23.006 60.695 -99.200 -91.000 HIS 24 0.900 5.600 43.856 55.059 -99.200 -91.000 HIS 26 0.900 9.014 44.216 50.673 -99.200 -91.000 PHE 27 1.000 17.264 41.588 52.379 -99.200 -91.000 HIS 38 0.900 9.446 56.704 42.227 -99.200 -91.000 PHE 41 1.000 7.187 51.477 45.374 -99.200 -91.000 PHE 52 1.000 19.415 38.208 56.102 -99.200 -91.000 PHE 55 1.000 17.783 41.584 60.863 -99.200 -91.000 PHE 96 1.000 -3.672 35.658 44.991 -99.200 -91.000 HIS 97 0.900 0.597 44.373 48.127 -99.200 -91.000 PHE 101 1.000 0.158 46.981 44.130 -99.200 -91.000 TYR 102 0.840 -2.901 40.495 42.520 -99.200 -91.000 TYR 105 0.840 -12.530 45.336 33.943 -99.200 -91.000 TRP 108 1.040 -3.294 34.186 39.554 -99.200 -91.000 TRP6 108 1.020 -3.059 32.233 40.886 -99.200 -91.000 TYR 130 0.840 9.567 29.493 34.671 -99.200 -91.000 TYR 132 0.840 1.731 29.664 41.704 -99.200 -91.000 TYR 153 0.840 -8.053 55.828 52.582 -99.200 -91.000 HIS 181 0.900 -0.492 46.790 52.050 -99.200 -91.000 HIS 193 0.900 -14.459 40.688 56.838 -99.200 -91.000 PHE 197 1.000 -13.471 33.708 54.471 -99.200 -91.000 HIS 208 0.900 2.231 48.314 55.396 -99.200 -91.000 TYR 216 0.840 -7.500 56.506 72.711 -99.200 -91.000 TYR 217 0.840 -8.546 50.410 63.872 -99.200 -91.000 TYR 218 0.840 -1.862 51.540 66.313 -99.200 -91.000 PHE 231 1.000 2.350 48.816 65.533 -99.200 -91.000 TYR 239 0.840 3.709 57.087 54.135 -99.200 -91.000 TYR 240 0.840 1.062 59.584 60.421 -99.200 -91.000 TYR 251 0.840 -3.150 53.387 74.970 -99.200 -91.000 HIS 260 0.900 -1.925 39.610 71.351 -99.200 -91.000 TYR 272 0.840 11.538 53.918 51.900 -99.200 -91.000 TYR 276 0.840 18.733 47.120 46.883 -99.200 -91.000 PHE 285 1.000 19.859 57.087 58.964 -99.200 -91.000 TYR 289 0.840 16.433 54.961 61.719 -99.200 -91.000 PHE 291 1.000 18.767 45.150 65.318 -99.200 -91.000 PHE 294 1.000 10.867 52.542 66.420 -99.200 -91.000 PHE 309 1.000 14.060 37.594 74.493 -99.200 -91.000 PHE 322 1.000 4.048 26.293 58.255 -99.200 -91.000 PHE 328 1.000 -12.910 26.426 54.126 -99.200 -91.000