============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 27 0.840 69.080 46.485 38.545 -99.200 -91.000 HIS 91 0.900 62.334 50.572 26.413 -99.200 -91.000 TYR 101 0.840 58.464 63.066 21.238 -99.200 -91.000 PHE 102 1.000 60.464 55.194 16.299 -99.200 -91.000 TYR 134 0.840 45.907 44.642 38.590 -99.200 -91.000 PHE 175 1.000 60.713 56.592 33.553 -99.200 -91.000 TRP 179 1.040 54.757 70.547 29.571 -99.200 -91.000 TRP6 179 1.020 54.930 72.857 30.032 -99.200 -91.000 TYR 191 0.840 40.188 56.819 39.806 -99.200 -91.000 TRP 192 1.040 41.784 58.931 31.689 -99.200 -91.000 TRP6 192 1.020 43.763 59.034 30.442 -99.200 -91.000 PHE 193 1.000 42.465 63.783 38.306 -99.200 -91.000 HIS 200 0.900 47.627 61.928 20.410 -99.200 -91.000 PHE 206 1.000 56.537 63.335 11.330 -99.200 -91.000 TYR 221 0.840 75.684 68.433 29.162 -99.200 -91.000 TYR 223 0.840 81.553 70.984 28.631 -99.200 -91.000 TYR 231 0.840 78.669 71.467 19.771 -99.200 -91.000 HIS 244 0.900 74.054 74.116 21.867 -99.200 -91.000 HIS 275 0.900 73.400 72.221 30.688 -99.200 -91.000 PHE 281 1.000 58.429 78.197 25.844 -99.200 -91.000 TRP 295 1.040 72.215 77.609 13.562 -99.200 -91.000 TRP6 295 1.020 73.442 78.795 15.206 -99.200 -91.000 HIS 299 0.900 57.752 75.016 22.427 -99.200 -91.000 PHE 327 1.000 62.402 69.623 16.944 -99.200 -91.000 TRP 328 1.040 57.872 76.431 17.779 -99.200 -91.000 TRP6 328 1.020 58.018 78.117 16.143 -99.200 -91.000 TYR 330 0.840 53.924 66.203 14.843 -99.200 -91.000