============================================================================= 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 9.589 -6.078 37.302 -99.200 -91.000 TRP6 14 1.020 9.868 -7.311 35.318 -99.200 -91.000 TRP 35 1.040 10.161 -16.589 49.534 -99.200 -91.000 TRP6 35 1.020 10.337 -15.915 51.759 -99.200 -91.000 HIS 41 0.900 11.989 3.308 54.322 -99.200 -91.000 PHE 43 1.000 7.616 -3.996 55.859 -99.200 -91.000 TRP 49 1.040 3.279 -6.045 63.153 -99.200 -91.000 TRP6 49 1.020 5.156 -6.043 61.746 -99.200 -91.000 HIS 59 0.900 -1.431 0.553 34.620 -99.200 -91.000 HIS 64 0.900 -10.869 -5.997 40.633 -99.200 -91.000 TYR 82 0.840 15.744 -0.702 59.304 -99.200 -91.000 HIS 89 0.900 23.095 -3.417 56.724 -99.200 -91.000 HIS 97 0.900 -1.638 -17.992 54.830 -99.200 -91.000 HIS 105 0.900 -1.874 -8.304 32.524 -99.200 -91.000 PHE 116 1.000 24.330 -10.800 35.150 -99.200 -91.000 PHE 123 1.000 30.903 -1.337 36.589 -99.200 -91.000 PHE 126 1.000 20.283 6.157 31.100 -99.200 -91.000 TRP 132 1.040 0.324 2.550 41.353 -99.200 -91.000 TRP6 132 1.020 1.166 0.406 41.782 -99.200 -91.000 TYR 173 0.840 26.165 -3.214 53.724 -99.200 -91.000 PHE 175 1.000 21.946 1.129 43.135 -99.200 -91.000 TYR 179 0.840 18.029 11.883 35.075 -99.200 -91.000 HIS 195 0.900 18.428 0.644 39.861 -99.200 -91.000 HIS 198 0.900 16.251 -5.400 28.830 -99.200 -91.000 TYR 199 0.840 24.376 -8.204 30.363 -99.200 -91.000 TRP 203 1.040 13.577 -6.077 31.688 -99.200 -91.000 TRP6 203 1.020 14.066 -3.802 32.037 -99.200 -91.000 TYR 204 0.840 19.329 -10.333 35.147 -99.200 -91.000 TRP 211 1.040 18.868 6.902 51.744 -99.200 -91.000 TRP6 211 1.020 20.202 8.826 51.833 -99.200 -91.000 HIS 220 0.900 21.009 17.135 47.673 -99.200 -91.000 PHE 221 1.000 23.279 12.526 41.313 -99.200 -91.000 TYR 224 0.840 17.276 4.203 43.588 -99.200 -91.000 TYR 230 0.840 21.524 -6.110 52.058 -99.200 -91.000 TRP 233 1.040 20.049 -11.670 55.321 -99.200 -91.000 TRP6 233 1.020 18.099 -10.478 54.794 -99.200 -91.000 PHE 252 1.000 23.850 -8.405 55.338 -99.200 -91.000