============================================================================= 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 14.844 18.124 14.179 -99.200 -91.000 TRP6 14 1.020 13.485 19.367 15.655 -99.200 -91.000 TRP 35 1.040 19.814 27.926 2.621 -99.200 -91.000 TRP6 35 1.020 21.618 27.677 1.120 -99.200 -91.000 HIS 41 0.900 31.367 11.275 6.472 -99.200 -91.000 PHE 43 1.000 27.142 15.619 0.096 -99.200 -91.000 TRP 49 1.040 29.297 16.045 -8.205 -99.200 -91.000 TRP6 49 1.020 29.571 16.359 -5.882 -99.200 -91.000 HIS 59 0.900 8.463 6.737 11.480 -99.200 -91.000 HIS 64 0.900 7.173 5.796 -1.043 -99.200 -91.000 TYR 82 0.840 35.780 16.658 3.849 -99.200 -91.000 HIS 89 0.900 37.875 22.702 9.155 -99.200 -91.000 HIS 97 0.900 14.809 23.297 -8.808 -99.200 -91.000 HIS 105 0.900 3.223 14.320 10.361 -99.200 -91.000 PHE 116 1.000 21.151 29.290 23.278 -99.200 -91.000 PHE 123 1.000 29.830 24.370 29.222 -99.200 -91.000 PHE 126 1.000 22.094 12.130 29.182 -99.200 -91.000 TRP 132 1.040 15.429 6.309 8.165 -99.200 -91.000 TRP6 132 1.020 15.346 8.630 7.758 -99.200 -91.000 TYR 173 0.840 37.878 24.159 13.307 -99.200 -91.000 PHE 175 1.000 29.589 17.679 19.922 -99.200 -91.000 TYR 179 0.840 25.556 6.341 26.854 -99.200 -91.000 HIS 195 0.900 24.924 16.480 19.848 -99.200 -91.000 HIS 198 0.900 13.588 20.339 24.566 -99.200 -91.000 TYR 199 0.840 18.828 26.566 27.704 -99.200 -91.000 TRP 203 1.040 13.689 19.609 20.826 -99.200 -91.000 TRP6 203 1.020 15.019 17.865 21.695 -99.200 -91.000 TYR 204 0.840 18.003 26.532 20.582 -99.200 -91.000 TRP 211 1.040 35.697 11.844 13.418 -99.200 -91.000 TRP6 211 1.020 37.443 10.841 14.659 -99.200 -91.000 HIS 220 0.900 38.103 3.425 20.753 -99.200 -91.000 PHE 221 1.000 33.197 8.452 25.485 -99.200 -91.000 TYR 224 0.840 27.898 12.753 17.518 -99.200 -91.000 TYR 230 0.840 32.530 24.074 10.849 -99.200 -91.000 TRP 233 1.040 32.009 28.183 5.787 -99.200 -91.000 TRP6 233 1.020 30.893 26.184 5.198 -99.200 -91.000 PHE 252 1.000 35.911 27.309 9.187 -99.200 -91.000