============================================================================= 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. HIS 4 0.900 58.353 71.393 11.439 -99.200 -91.000 HIS 28 0.900 26.185 71.340 -2.375 -99.200 -91.000 TRP 29 1.040 27.164 69.547 5.180 -99.200 -91.000 TRP6 29 1.020 28.212 70.502 7.055 -99.200 -91.000 PHE 30 1.000 32.243 73.883 6.326 -99.200 -91.000 TRP 34 1.040 28.944 78.874 5.613 -99.200 -91.000 TRP6 34 1.020 29.285 78.731 7.935 -99.200 -91.000 TYR 37 0.840 21.459 76.510 10.998 -99.200 -91.000 PHE 41 1.000 31.649 92.642 11.317 -99.200 -91.000 TYR 42 0.840 34.645 90.686 15.686 -99.200 -91.000 PHE 52 1.000 45.587 61.425 20.869 -99.200 -91.000 PHE 62 1.000 31.698 88.569 22.303 -99.200 -91.000 PHE 66 1.000 40.208 90.843 14.402 -99.200 -91.000 PHE 73 1.000 47.823 85.411 3.536 -99.200 -91.000 HIS 101 0.900 41.245 93.831 29.821 -99.200 -91.000 PHE 106 1.000 51.941 92.295 23.898 -99.200 -91.000 TYR 107 0.840 41.350 94.806 23.976 -99.200 -91.000 HIS 112 0.900 46.453 101.290 14.642 -99.200 -91.000 HIS 116 0.900 44.644 99.771 8.366 -99.200 -91.000 PHE 139 1.000 43.811 111.798 21.556 -99.200 -91.000 HIS 143 0.900 53.529 102.012 25.546 -99.200 -91.000 HIS 146 0.900 51.044 103.672 14.434 -99.200 -91.000 PHE 165 1.000 30.671 107.419 15.030 -99.200 -91.000 HIS 196 0.900 18.464 90.010 22.124 -99.200 -91.000 TRP 199 1.040 26.567 87.032 26.416 -99.200 -91.000 TRP6 199 1.020 26.918 85.366 24.813 -99.200 -91.000 HIS 207 0.900 31.173 76.084 22.589 -99.200 -91.000 PHE 208 1.000 31.720 72.665 25.945 -99.200 -91.000 TYR 211 0.840 32.719 70.601 17.210 -99.200 -91.000 PHE 218 1.000 32.739 67.916 7.822 -99.200 -91.000 TRP 227 1.040 37.329 60.383 20.810 -99.200 -91.000 TRP6 227 1.020 39.614 59.899 20.510 -99.200 -91.000 TYR 232 0.840 34.061 60.046 23.864 -99.200 -91.000 PHE 233 1.000 29.058 67.793 26.215 -99.200 -91.000 PHE 241 1.000 33.296 72.688 42.696 -99.200 -91.000 HIS 242 0.900 34.306 77.429 49.619 -99.200 -91.000 TYR 265 0.840 43.695 59.173 24.989 -99.200 -91.000 TYR 268 0.840 41.357 55.985 16.575 -99.200 -91.000 PHE 275 1.000 44.301 66.937 29.144 -99.200 -91.000 TYR 285 0.840 28.300 86.426 41.202 -99.200 -91.000 TYR 325 0.840 47.837 64.632 26.329 -99.200 -91.000 PHE 327 1.000 51.091 64.827 21.870 -99.200 -91.000 HIS 329 0.900 56.507 70.285 21.623 -99.200 -91.000 TYR 340 0.840 41.845 86.108 15.036 -99.200 -91.000 HIS 342 0.900 30.286 82.054 4.212 -99.200 -91.000 PHE 343 1.000 33.857 83.895 2.395 -99.200 -91.000 PHE 348 1.000 46.852 84.671 17.466 -99.200 -91.000 TYR 349 0.840 51.048 77.113 14.818 -99.200 -91.000 HIS 352 0.900 51.463 76.125 25.845 -99.200 -91.000 HIS 366 0.900 50.846 82.850 32.317 -99.200 -91.000 PHE 367 1.000 48.901 84.076 23.710 -99.200 -91.000 PHE 372 1.000 47.612 79.968 11.802 -99.200 -91.000 PHE 392 1.000 48.672 76.017 9.023 -99.200 -91.000 TYR 393 0.840 40.206 72.123 2.768 -99.200 -91.000 TYR 395 0.840 46.018 73.085 12.048 -99.200 -91.000