============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. PHE 10 1.000 135.740 14.040 81.101 -99.200 -91.000 TYR 11 0.840 134.747 15.933 71.822 -99.200 -91.000 PHE 19 1.000 130.684 22.306 74.236 -99.200 -91.000 PHE 21 1.000 119.339 23.892 77.512 -99.200 -91.000 PHE 25 1.000 126.266 10.234 68.659 -99.200 -91.000 HIS 26 0.900 126.607 16.849 60.347 -99.200 -91.000 HIS 30 0.900 134.271 13.494 52.363 -99.200 -91.000 PHE 54 1.000 131.041 26.312 70.630 -99.200 -91.000 TRP 58 1.040 136.325 9.320 67.623 -99.200 -91.000 TRP6 58 1.020 135.808 9.289 69.930 -99.200 -91.000 PHE 70 1.000 124.516 28.430 62.513 -99.200 -91.000 PHE 87 1.000 114.129 43.768 68.309 -99.200 -91.000 TRP 100 1.040 117.332 14.045 57.263 -99.200 -91.000 TRP6 100 1.020 117.427 15.061 55.136 -99.200 -91.000 TRP 110 1.040 113.633 31.091 75.196 -99.200 -91.000 TRP6 110 1.020 115.485 29.719 75.705 -99.200 -91.000 HIS 112 0.900 112.205 38.146 72.874 -99.200 -91.000 TRP 113 1.040 108.338 39.193 64.150 -99.200 -91.000 TRP6 113 1.020 109.494 39.605 62.135 -99.200 -91.000 PHE 131 1.000 120.080 31.707 63.656 -99.200 -91.000 TYR 143 0.840 110.256 26.598 58.999 -99.200 -91.000 TYR 155 0.840 97.950 38.781 66.804 -99.200 -91.000 PHE 160 1.000 94.152 38.627 73.372 -99.200 -91.000 TRP 162 1.040 93.348 31.072 63.865 -99.200 -91.000 TRP6 162 1.020 94.019 28.886 63.243 -99.200 -91.000 TYR 166 0.840 102.242 35.828 72.812 -99.200 -91.000 PHE 171 1.000 110.864 24.756 75.212 -99.200 -91.000 TYR 189 0.840 98.125 27.954 66.805 -99.200 -91.000 TYR 190 0.840 97.630 34.912 75.173 -99.200 -91.000 PHE 191 1.000 102.344 32.129 76.679 -99.200 -91.000 PHE 204 1.000 119.701 24.507 53.694 -99.200 -91.000 TYR 207 0.840 117.500 32.816 54.760 -99.200 -91.000 TRP 214 1.040 111.120 32.454 53.827 -99.200 -91.000 TRP6 214 1.020 112.359 33.000 55.757 -99.200 -91.000 HIS 215 0.900 103.878 33.943 51.657 -99.200 -91.000 PHE 223 1.000 95.036 22.066 61.871 -99.200 -91.000 TYR 230 0.840 94.315 19.895 73.351 -99.200 -91.000 PHE 231 1.000 91.970 27.830 76.700 -99.200 -91.000 TYR 234 0.840 103.693 26.026 79.233 -99.200 -91.000 TRP 235 1.040 99.972 19.259 71.602 -99.200 -91.000 TRP6 235 1.020 100.320 19.612 69.298 -99.200 -91.000 TYR 237 0.840 108.939 21.840 78.515 -99.200 -91.000 PHE 244 1.000 104.395 5.161 67.969 -99.200 -91.000 TYR 253 0.840 104.543 14.904 62.256 -99.200 -91.000 TRP 260 1.040 96.050 18.368 77.170 -99.200 -91.000 TRP6 260 1.020 94.711 16.646 78.079 -99.200 -91.000 TRP 262 1.040 92.467 23.520 84.533 -99.200 -91.000 TRP6 262 1.020 90.990 22.656 82.908 -99.200 -91.000 TYR 273 0.840 97.179 15.046 55.704 -99.200 -91.000 TYR 274 0.840 100.668 19.186 62.370 -99.200 -91.000 HIS 278 0.900 96.138 5.954 72.867 -99.200 -91.000 TYR 288 0.840 106.807 20.649 83.101 -99.200 -91.000 PHE 289 1.000 102.515 11.146 80.758 -99.200 -91.000 HIS 291 0.900 111.846 17.655 80.907 -99.200 -91.000 HIS 304 0.900