============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 12 0.840 49.976 -14.252 28.195 -99.200 -91.000 PHE 25 1.000 40.746 -5.654 27.656 -99.200 -91.000 HIS 27 0.900 47.280 -4.661 36.980 -99.200 -91.000 HIS 34 0.900 39.726 -10.866 40.407 -99.200 -91.000 TRP 36 1.040 41.774 -5.176 32.800 -99.200 -91.000 TRP6 36 1.020 40.746 -3.088 32.326 -99.200 -91.000 HIS 48 0.900 45.412 -12.568 20.605 -99.200 -91.000 PHE 57 1.000 51.199 -4.089 41.215 -99.200 -91.000 TYR 67 0.840 58.451 -4.852 42.125 -99.200 -91.000 PHE 69 1.000 55.508 5.473 34.081 -99.200 -91.000 PHE 70 1.000 60.469 6.619 33.468 -99.200 -91.000 HIS 72 0.900 55.083 -1.683 37.471 -99.200 -91.000 TYR 75 0.840 60.525 -6.432 34.670 -99.200 -91.000 PHE 79 1.000 52.535 -9.603 28.128 -99.200 -91.000 TYR 89 0.840 41.441 -1.339 18.320 -99.200 -91.000 TRP 95 1.040 50.229 4.355 39.328 -99.200 -91.000 TRP6 95 1.020 51.861 5.873 38.520 -99.200 -91.000 PHE 101 1.000 46.932 8.743 29.458 -99.200 -91.000 HIS 102 0.900 56.936 6.694 28.758 -99.200 -91.000 PHE 110 1.000 51.657 -1.746 20.592 -99.200 -91.000 PHE 116 1.000 41.740 8.509 27.955 -99.200 -91.000 PHE 119 1.000 42.641 11.398 32.505 -99.200 -91.000 TRP 126 1.040 50.363 16.856 47.796 -99.200 -91.000 TRP6 126 1.020 49.736 14.571 47.756 -99.200 -91.000 PHE 129 1.000 45.566 11.861 44.926 -99.200 -91.000 HIS 130 0.900 41.117 11.155 44.817 -99.200 -91.000 HIS 131 0.900 40.285 20.585 40.330 -99.200 -91.000 HIS 140 0.900 32.893 12.242 50.325 -99.200 -91.000 PHE 148 1.000 46.412 7.678 47.245 -99.200 -91.000 PHE 151 1.000 48.317 5.202 51.011 -99.200 -91.000 PHE 167 1.000 46.878 1.965 46.876 -99.200 -91.000 TYR 188 0.840 40.515 -6.966 42.922 -99.200 -91.000 PHE 192 1.000 49.836 -7.145 45.916 -99.200 -91.000 PHE 204 1.000 52.254 1.242 39.978 -99.200 -91.000 TYR 218 0.840 54.883 17.232 37.360 -99.200 -91.000 HIS 225 0.900 47.899 13.434 30.611 -99.200 -91.000 TYR 233 0.840 46.293 7.643 20.161 -99.200 -91.000 PHE 238 1.000 34.453 3.449 28.744 -99.200 -91.000 PHE 250 1.000 40.678 16.915 34.107 -99.200 -91.000 PHE 254 1.000 42.235 14.627 29.303 -99.200 -91.000 HIS 271 0.900 41.250 5.192 40.814 -99.200 -91.000 TYR 272 0.840 40.634 0.784 42.470 -99.200 -91.000 HIS 277 0.900 29.404 2.135 36.162 -99.200 -91.000 TRP 288 1.040 36.479 3.286 20.269 -99.200 -91.000 TRP6 288 1.020 38.465 2.474 21.255 -99.200 -91.000