============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 13.609 18.424 15.675 -99.200 -91.000 TRP6 14 1.020 12.032 19.409 17.108 -99.200 -91.000 TRP 35 1.040 18.807 28.179 4.028 -99.200 -91.000 TRP6 35 1.020 17.727 30.266 4.097 -99.200 -91.000 HIS 41 0.900 30.062 12.268 7.237 -99.200 -91.000 PHE 43 1.000 25.549 16.889 1.071 -99.200 -91.000 TRP 49 1.040 27.014 17.847 -6.887 -99.200 -91.000 TRP6 49 1.020 26.723 18.214 -4.571 -99.200 -91.000 HIS 59 0.900 7.304 6.643 12.444 -99.200 -91.000 HIS 64 0.900 2.621 9.550 0.608 -99.200 -91.000 TYR 82 0.840 34.368 17.996 4.637 -99.200 -91.000 HIS 89 0.900 36.380 23.740 10.172 -99.200 -91.000 HIS 97 0.900 13.059 24.839 -6.958 -99.200 -91.000 HIS 105 0.900 2.238 14.153 12.204 -99.200 -91.000 PHE 116 1.000 19.820 29.323 25.063 -99.200 -91.000 PHE 123 1.000 28.419 24.371 30.992 -99.200 -91.000 PHE 126 1.000 21.580 11.558 29.905 -99.200 -91.000 TRP 132 1.040 13.983 6.824 9.050 -99.200 -91.000 TRP6 132 1.020 13.831 9.171 8.876 -99.200 -91.000 TYR 173 0.840 36.717 24.930 14.352 -99.200 -91.000 PHE 175 1.000 28.467 18.325 20.866 -99.200 -91.000 TYR 179 0.840 24.933 6.332 27.195 -99.200 -91.000 HIS 195 0.900 23.820 16.559 20.858 -99.200 -91.000 HIS 198 0.900 12.915 20.292 26.873 -99.200 -91.000 TYR 199 0.840 17.885 26.429 29.510 -99.200 -91.000 TRP 203 1.040 12.495 19.743 22.356 -99.200 -91.000 TRP6 203 1.020 13.757 17.946 23.202 -99.200 -91.000 TYR 204 0.840 16.897 26.643 22.350 -99.200 -91.000 TRP 211 1.040 34.396 12.615 13.770 -99.200 -91.000 TRP6 211 1.020 36.090 11.570 15.038 -99.200 -91.000 HIS 220 0.900 37.677 4.336 20.535 -99.200 -91.000 PHE 221 1.000 33.079 8.775 25.846 -99.200 -91.000 TYR 224 0.840 26.920 13.345 18.479 -99.200 -91.000 TYR 230 0.840 31.124 25.055 11.864 -99.200 -91.000 TRP 233 1.040 30.180 29.494 7.218 -99.200 -91.000 TRP6 233 1.020 29.068 27.468 6.719 -99.200 -91.000 PHE 252 1.000 33.858 28.389 10.162 -99.200 -91.000