============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 16 0.840 38.905 19.342 54.532 -99.200 -91.000 PHE 27 1.000 38.527 23.472 71.426 -99.200 -91.000 HIS 55 0.900 33.450 20.673 32.587 -99.200 -91.000 HIS 58 0.900 28.057 18.561 29.278 -99.200 -91.000 TYR 60 0.840 33.806 12.076 22.918 -99.200 -91.000 HIS 61 0.900 26.633 13.771 24.303 -99.200 -91.000 HIS 65 0.900 26.014 13.617 19.575 -99.200 -91.000 PHE 67 1.000 31.800 22.698 20.713 -99.200 -91.000 HIS 70 0.900 25.200 26.867 20.242 -99.200 -91.000 PHE 103 1.000 44.467 19.380 58.543 -99.200 -91.000 TYR 110 0.840 48.543 14.610 57.219 -99.200 -91.000 TYR 114 0.840 43.971 1.484 60.228 -99.200 -91.000 PHE 117 1.000 38.689 5.700 70.291 -99.200 -91.000 HIS 139 0.900 37.139 17.977 75.073 -99.200 -91.000 TYR 184 0.840 24.446 11.753 44.928 -99.200 -91.000 TRP 193 1.040 33.548 4.990 32.854 -99.200 -91.000 TRP6 193 1.020 35.721 5.119 31.962 -99.200 -91.000 PHE 205 1.000 15.855 -7.007 45.182 -99.200 -91.000 PHE 221 1.000 18.131 11.703 36.789 -99.200 -91.000 PHE 232 1.000 18.180 3.949 34.155 -99.200 -91.000 PHE 277 1.000 36.894 0.837 56.789 -99.200 -91.000 PHE 302 1.000 26.973 15.888 65.579 -99.200 -91.000 TYR 310 0.840 33.019 14.799 72.093 -99.200 -91.000 HIS 323 0.900 26.198 18.595 50.919 -99.200 -91.000 TYR 335 0.840 26.113 21.288 70.414 -99.200 -91.000 HIS 342 0.900 20.895 25.119 66.903 -99.200 -91.000 TYR 345 0.840 22.086 15.011 60.207 -99.200 -91.000 TYR 353 0.840 26.908 17.570 41.725 -99.200 -91.000 TYR 375 0.840 0.654 18.823 48.293 -99.200 -91.000 PHE 380 1.000 8.722 29.311 33.692 -99.200 -91.000 PHE 382 1.000 15.523 25.604 34.041 -99.200 -91.000 HIS 413 0.900 11.804 18.346 45.389 -99.200 -91.000 HIS 424 0.900 23.709 25.966 46.864 -99.200 -91.000 TYR 432 0.840 17.805 32.098 57.148 -99.200 -91.000 HIS 444 0.900 14.522 36.066 40.970 -99.200 -91.000 HIS 446 0.900 15.396 38.893 30.452 -99.200 -91.000 TYR 461 0.840 2.398 34.393 45.220 -99.200 -91.000 HIS 466 0.900 7.827 35.631 31.298 -99.200 -91.000