============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 16 0.900 44.658 36.332 26.400 -99.200 -91.000 TRP 24 1.040 36.401 43.641 30.861 -99.200 -91.000 TRP6 24 1.020 37.634 45.649 30.708 -99.200 -91.000 TYR 26 0.840 28.928 42.891 28.068 -99.200 -91.000 PHE 29 1.000 43.940 45.486 22.102 -99.200 -91.000 TRP 32 1.040 47.893 37.139 18.336 -99.200 -91.000 TRP6 32 1.020 48.892 35.115 19.002 -99.200 -91.000 PHE 64 1.000 40.866 31.382 -0.399 -99.200 -91.000 PHE 65 1.000 38.470 38.927 2.644 -99.200 -91.000 TYR 66 0.840 45.285 35.648 -1.472 -99.200 -91.000 PHE 74 1.000 53.216 56.997 16.677 -99.200 -91.000 TYR 80 0.840 42.148 46.657 4.267 -99.200 -91.000 TYR 83 0.840 31.728 41.970 12.139 -99.200 -91.000 HIS 86 0.900 27.802 34.244 16.220 -99.200 -91.000 HIS 87 0.900 28.409 30.157 15.823 -99.200 -91.000 PHE 107 1.000 24.291 39.840 19.902 -99.200 -91.000 HIS 124 0.900 41.705 66.370 11.187 -99.200 -91.000 HIS 134 0.900 42.833 57.674 11.398 -99.200 -91.000 TYR 152 0.840 47.089 58.498 14.523 -99.200 -91.000 TRP 161 1.040 40.812 67.561 29.204 -99.200 -91.000 TRP6 161 1.020 40.322 67.320 31.506 -99.200 -91.000 HIS 164 0.900 34.959 59.808 27.358 -99.200 -91.000 HIS 165 0.900 33.120 54.809 28.221 -99.200 -91.000 TYR 175 0.840 29.624 47.700 32.089 -99.200 -91.000 TYR 180 0.840 42.061 54.906 26.457 -99.200 -91.000 TYR 181 0.840 48.866 48.015 21.296 -99.200 -91.000 HIS 182 0.900 47.825 54.919 25.945 -99.200 -91.000 PHE 184 1.000 53.501 56.548 24.681 -99.200 -91.000 PHE 190 1.000 56.828 59.413 30.937 -99.200 -91.000 TYR 196 0.840 39.254 61.690 37.230 -99.200 -91.000 TYR 208 0.840 57.562 54.316 30.339 -99.200 -91.000 TYR 217 0.840 34.187 61.464 35.361 -99.200 -91.000 HIS 218 0.900 37.459 56.735 30.082 -99.200 -91.000 TYR 226 0.840 59.380 60.795 24.567 -99.200 -91.000 TYR 229 0.840 47.548 54.121 17.192 -99.200 -91.000 TYR 230 0.840 43.926 57.285 23.025 -99.200 -91.000 TRP 239 1.040 31.359 56.666 23.071 -99.200 -91.000 TRP6 239 1.020 32.131 58.620 21.942 -99.200 -91.000 PHE 241 1.000 30.595 61.334 25.520 -99.200 -91.000 TRP 243 1.040 31.921 65.635 27.989 -99.200 -91.000 TRP6 243 1.020 30.447 66.551 26.408 -99.200 -91.000 HIS 247 0.900 37.711 68.967 35.266 -99.200 -91.000 TRP 249 1.040 35.731 74.695 32.228 -99.200 -91.000 TRP6 249 1.020 37.510 75.814 31.110 -99.200 -91.000