============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 99.168 -2.329 46.140 -99.200 -91.000 PHE 3 1.000 97.819 2.160 49.196 -99.200 -91.000 PHE 5 1.000 98.802 9.867 50.367 -99.200 -91.000 TYR 8 0.840 98.562 26.296 44.775 -99.200 -91.000 PHE 17 1.000 85.007 10.243 50.840 -99.200 -91.000 PHE 37 1.000 76.243 14.231 32.699 -99.200 -91.000 PHE 43 1.000 73.746 6.923 47.297 -99.200 -91.000 PHE 47 1.000 83.897 3.396 44.715 -99.200 -91.000 TYR 57 0.840 77.160 24.067 43.847 -99.200 -91.000 PHE 63 1.000 71.424 15.576 35.320 -99.200 -91.000 PHE 75 1.000 72.146 14.124 29.483 -99.200 -91.000 PHE 92 1.000 82.890 -0.129 40.697 -99.200 -91.000 TYR 95 0.840 80.878 -2.294 35.584 -99.200 -91.000 PHE 97 1.000 86.747 -1.540 28.679 -99.200 -91.000 PHE 100 1.000 87.546 1.988 23.296 -99.200 -91.000 TYR 110 0.840 80.760 16.287 18.454 -99.200 -91.000 TYR 112 0.840 91.358 15.856 12.112 -99.200 -91.000 PHE 118 1.000 78.503 22.512 15.009 -99.200 -91.000 TRP 129 1.040 92.886 3.533 36.420 -99.200 -91.000 TRP6 129 1.020 94.844 3.413 37.741 -99.200 -91.000 HIS 134 0.900 87.652 -5.889 48.358 -99.200 -91.000 TYR 138 0.840 83.966 -8.661 34.277 -99.200 -91.000 HIS 139 0.900 82.659 -4.736 40.520 -99.200 -91.000 PHE 146 1.000 91.673 -1.955 26.536 -99.200 -91.000 PHE 147 1.000 89.150 4.854 27.197 -99.200 -91.000 HIS 149 0.900 96.195 3.144 18.411 -99.200 -91.000 PHE 162 1.000 98.529 20.229 46.140 -99.200 -91.000 PHE 180 1.000 90.819 13.226 38.028 -99.200 -91.000 PHE 181 1.000 90.378 5.906 33.297 -99.200 -91.000 TYR 187 0.840 87.249 7.133 44.984 -99.200 -91.000 TYR 199 0.840 94.936 22.807 44.289 -99.200 -91.000 TRP 220 1.040 99.839 5.147 35.008 -99.200 -91.000 TRP6 220 1.020 101.647 4.602 33.578 -99.200 -91.000 HIS 225 0.900 101.102 6.968 46.649 -99.200 -91.000 TRP 253 1.040 103.818 9.874 26.234 -99.200 -91.000 TRP6 253 1.020 106.035 9.258 26.835 -99.200 -91.000 HIS 272 0.900 101.329 -0.890 32.583 -99.200 -91.000 PHE 280 1.000 101.135 5.766 27.709 -99.200 -91.000 PHE 293 1.000 120.726 2.591 20.225 -99.200 -91.000 TYR 306 0.840 102.139 -12.181 36.517 -99.200 -91.000 PHE 310 1.000 93.349 -6.986 39.434 -99.200 -91.000 HIS 312 0.900 87.397 -12.926 45.149 -99.200 -91.000 PHE 314 1.000 94.156 -17.817 41.793 -99.200 -91.000 PHE 317 1.000 99.882 -15.653 45.503 -99.200 -91.000 TYR 318 0.840 97.070 -9.177 37.268 -99.200 -91.000 TRP 323 1.040 108.437 -7.849 48.675 -99.200 -91.000 TRP6 323 1.020 110.572 -7.419 49.612 -99.200 -91.000 TYR 326 0.840 115.117 -5.116 46.038 -99.200 -91.000 TYR 335 0.840 121.987 -5.959 30.270 -99.200 -91.000