============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 7 0.840 91.988 58.359 24.126 -99.200 -91.000 PHE 10 1.000 96.241 48.997 19.032 -99.200 -91.000 TRP 18 1.040 101.378 47.809 14.960 -99.200 -91.000 TRP6 18 1.020 99.067 47.973 15.390 -99.200 -91.000 HIS 20 0.900 103.056 49.921 4.010 -99.200 -91.000 PHE 21 1.000 97.286 46.975 10.307 -99.200 -91.000 TYR 40 0.840 99.380 56.240 12.699 -99.200 -91.000 TRP 47 1.040 94.766 61.697 19.955 -99.200 -91.000 TRP6 47 1.020 94.928 59.615 21.060 -99.200 -91.000 TYR 61 0.840 97.001 54.923 25.427 -99.200 -91.000 PHE 86 1.000 88.861 58.099 40.737 -99.200 -91.000 PHE 109 1.000 89.680 39.753 34.925 -99.200 -91.000 TYR 116 0.840 88.127 60.846 25.745 -99.200 -91.000 TYR 117 0.840 85.689 67.722 30.312 -99.200 -91.000 PHE 123 1.000 84.861 69.466 12.351 -99.200 -91.000 HIS 124 0.900 92.900 73.722 12.141 -99.200 -91.000 PHE 127 1.000 90.053 60.598 7.069 -99.200 -91.000 PHE 136 1.000 88.089 54.580 8.331 -99.200 -91.000 HIS 145 0.900 83.602 45.579 16.959 -99.200 -91.000 PHE 146 1.000 88.474 47.481 23.715 -99.200 -91.000 PHE 159 1.000 85.742 47.889 35.398 -99.200 -91.000 TYR 160 0.840 84.945 46.454 30.545 -99.200 -91.000 PHE 166 1.000 81.097 50.013 27.728 -99.200 -91.000 HIS 185 0.900 78.691 36.930 28.212 -99.200 -91.000 PHE 186 1.000 79.725 39.617 20.459 -99.200 -91.000 HIS 188 0.900 73.399 48.289 24.070 -99.200 -91.000 HIS 193 0.900 75.110 43.948 18.406 -99.200 -91.000 HIS 194 0.900 79.779 43.937 18.320 -99.200 -91.000 PHE 201 1.000 87.767 34.703 21.924 -99.200 -91.000 HIS 208 0.900 89.847 37.521 18.012 -99.200 -91.000 HIS 209 0.900 87.806 41.516 16.614 -99.200 -91.000 PHE 210 1.000 92.575 48.135 15.392 -99.200 -91.000 TYR 222 0.840 87.826 49.844 -4.566 -99.200 -91.000 PHE 224 1.000 89.548 39.761 1.196 -99.200 -91.000 HIS 240 0.900 80.836 39.497 12.813 -99.200 -91.000 PHE 248 1.000 89.086 43.069 5.206 -99.200 -91.000 TYR 249 0.840 87.032 39.265 12.189 -99.200 -91.000 PHE 261 1.000 88.297 48.879 6.154 -99.200 -91.000 TRP 263 1.040 78.515 49.289 4.278 -99.200 -91.000 TRP6 263 1.020 76.886 47.785 3.459 -99.200 -91.000 TRP 272 1.040 69.993 44.025 20.597 -99.200 -91.000 TRP6 272 1.020 69.885 44.236 18.240 -99.200 -91.000 HIS 277 0.900 72.642 35.932 17.541 -99.200 -91.000 TRP 283 1.040 76.093 36.610 4.273 -99.200 -91.000 TRP6 283 1.020 77.907 37.745 3.282 -99.200 -91.000 HIS 285 0.900 82.843 37.464 9.194 -99.200 -91.000