============================================================================= 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 14.874 18.170 14.162 -99.200 -91.000 TRP6 14 1.020 13.417 19.273 15.676 -99.200 -91.000 TRP 35 1.040 19.726 27.833 2.694 -99.200 -91.000 TRP6 35 1.020 21.513 27.528 1.179 -99.200 -91.000 HIS 41 0.900 31.214 11.169 6.559 -99.200 -91.000 PHE 43 1.000 27.018 15.504 0.122 -99.200 -91.000 TRP 49 1.040 29.062 15.886 -8.213 -99.200 -91.000 TRP6 49 1.020 29.324 16.147 -5.875 -99.200 -91.000 HIS 59 0.900 8.220 6.565 11.432 -99.200 -91.000 HIS 64 0.900 6.847 5.842 -1.206 -99.200 -91.000 TYR 82 0.840 35.659 16.680 3.776 -99.200 -91.000 HIS 89 0.900 37.748 22.612 9.024 -99.200 -91.000 HIS 97 0.900 14.552 23.039 -8.744 -99.200 -91.000 HIS 105 0.900 3.263 14.293 10.413 -99.200 -91.000 PHE 116 1.000 21.093 29.155 23.343 -99.200 -91.000 PHE 123 1.000 29.659 24.382 29.232 -99.200 -91.000 PHE 126 1.000 22.054 12.172 29.173 -99.200 -91.000 TRP 132 1.040 15.306 6.184 8.225 -99.200 -91.000 TRP6 132 1.020 15.203 8.500 7.829 -99.200 -91.000 TYR 170 0.840 37.767 24.137 13.368 -99.200 -91.000 PHE 172 1.000 29.543 17.643 20.037 -99.200 -91.000 TYR 176 0.840 25.532 6.229 26.786 -99.200 -91.000 HIS 192 0.900 24.815 16.414 19.859 -99.200 -91.000 HIS 195 0.900 13.560 20.256 24.730 -99.200 -91.000 TYR 196 0.840 18.802 26.606 27.707 -99.200 -91.000 TRP 200 1.040 13.754 19.620 20.773 -99.200 -91.000 TRP6 200 1.020 15.040 17.903 21.739 -99.200 -91.000 TYR 201 0.840 17.939 26.599 20.596 -99.200 -91.000 TRP 208 1.040 35.570 11.780 13.348 -99.200 -91.000 TRP6 208 1.020 37.133 10.712 14.754 -99.200 -91.000 HIS 217 0.900 37.834 3.181 20.587 -99.200 -91.000 PHE 218 1.000 33.537 8.292 25.373 -99.200 -91.000 TYR 221 0.840 27.854 12.758 17.567 -99.200 -91.000 TYR 227 0.840 32.471 24.033 10.848 -99.200 -91.000 TRP 230 1.040 31.893 28.192 5.761 -99.200 -91.000 TRP6 230 1.020 30.846 26.158 5.159 -99.200 -91.000 PHE 249 1.000 35.797 27.313 9.154 -99.200 -91.000