============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 20 0.900 115.305 26.523 56.962 -99.200 -91.000 TYR 78 0.840 111.148 22.968 40.203 -99.200 -91.000 TYR 102 0.840 102.925 29.499 41.617 -99.200 -91.000 TRP 108 1.040 121.003 35.537 40.373 -99.200 -91.000 TRP6 108 1.020 122.405 36.905 41.723 -99.200 -91.000 HIS 120 0.900 124.369 26.397 44.163 -99.200 -91.000 TYR 124 0.840 121.542 33.362 44.759 -99.200 -91.000 HIS 132 0.900 134.111 44.444 50.567 -99.200 -91.000 PHE 151 1.000 119.279 27.167 54.885 -99.200 -91.000 PHE 157 1.000 113.415 38.715 54.642 -99.200 -91.000 TRP 167 1.040 96.610 40.609 57.871 -99.200 -91.000 TRP6 167 1.020 95.510 40.613 59.944 -99.200 -91.000 TRP 194 1.040 122.229 47.873 53.079 -99.200 -91.000 TRP6 194 1.020 123.616 48.833 51.400 -99.200 -91.000 TRP 202 1.040 129.184 48.114 58.957 -99.200 -91.000 TRP6 202 1.020 129.275 46.738 60.894 -99.200 -91.000 TYR 217 0.840 133.512 46.783 72.335 -99.200 -91.000 TYR 218 0.840 129.584 41.255 68.748 -99.200 -91.000 TYR 221 0.840 139.574 38.122 72.937 -99.200 -91.000 TYR 228 0.840 138.955 28.767 68.797 -99.200 -91.000 PHE 238 1.000 125.226 43.981 79.685 -99.200 -91.000 TYR 239 0.840 135.623 46.651 78.463 -99.200 -91.000 TRP 262 1.040 138.893 49.184 70.165 -99.200 -91.000 TRP6 262 1.020 137.337 49.030 68.392 -99.200 -91.000 PHE 273 1.000 138.657 36.036 77.568 -99.200 -91.000 HIS 276 0.900 143.508 29.993 84.382 -99.200 -91.000 HIS 280 0.900 139.857 29.309 84.912 -99.200 -91.000 TRP 281 1.040 139.097 31.778 80.275 -99.200 -91.000 TRP6 281 1.020 139.735 33.136 82.110 -99.200 -91.000 PHE 285 1.000 134.166 35.775 82.301 -99.200 -91.000 PHE 298 1.000 127.509 22.526 63.819 -99.200 -91.000 HIS 302 0.900 125.522 15.684 73.299 -99.200 -91.000 HIS 306 0.900 119.419 28.749 78.401 -99.200 -91.000 PHE 313 1.000 120.132 21.584 68.934 -99.200 -91.000 TYR 314 0.840 113.768 16.203 66.834 -99.200 -91.000 TRP 320 1.040 121.919 15.143 70.328 -99.200 -91.000 TRP6 320 1.020 120.335 15.125 72.093 -99.200 -91.000 PHE 328 1.000 104.033 29.509 67.567 -99.200 -91.000 TRP 352 1.040 95.093 17.616 51.788 -99.200 -91.000 TRP6 352 1.020 96.737 18.803 50.571 -99.200 -91.000