============================================================================= 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 21.370 22.238 18.279 -99.200 -91.000 TRP6 14 1.020 22.716 20.286 18.182 -99.200 -91.000 TRP 35 1.040 12.551 22.631 5.529 -99.200 -91.000 TRP6 35 1.020 10.622 23.932 5.069 -99.200 -91.000 HIS 41 0.900 6.322 34.147 21.375 -99.200 -91.000 PHE 43 1.000 8.339 34.562 12.975 -99.200 -91.000 TRP 49 1.040 5.513 39.846 7.464 -99.200 -91.000 TRP6 49 1.020 5.488 37.873 8.757 -99.200 -91.000 HIS 59 0.900 30.416 32.149 21.281 -99.200 -91.000 HIS 64 0.900 31.713 38.197 9.694 -99.200 -91.000 TYR 82 0.840 0.147 32.251 17.266 -99.200 -91.000 HIS 89 0.900 -2.449 24.446 18.953 -99.200 -91.000 HIS 97 0.900 16.156 33.361 -1.788 -99.200 -91.000 HIS 105 0.900 32.796 26.602 14.102 -99.200 -91.000 PHE 116 1.000 13.805 8.712 20.614 -99.200 -91.000 PHE 123 1.000 7.700 9.574 30.078 -99.200 -91.000 PHE 126 1.000 18.074 18.447 35.612 -99.200 -91.000 TRP 132 1.040 23.337 35.372 21.011 -99.200 -91.000 TRP6 132 1.020 22.673 33.688 19.467 -99.200 -91.000 TYR 167 0.840 -2.096 20.835 21.016 -99.200 -91.000 PHE 169 1.000 8.382 20.845 27.194 -99.200 -91.000 TYR 173 0.840 16.338 24.886 37.868 -99.200 -91.000 HIS 189 0.900 13.171 21.491 26.587 -99.200 -91.000 HIS 192 0.900 23.318 13.355 25.188 -99.200 -91.000 TYR 193 0.840 17.424 7.640 24.707 -99.200 -91.000 TRP 197 1.040 22.968 17.117 22.365 -99.200 -91.000 TRP6 197 1.020 22.223 17.798 24.509 -99.200 -91.000 TYR 198 0.840 17.186 12.355 19.211 -99.200 -91.000 TRP 205 1.040 3.137 30.735 27.514 -99.200 -91.000 TRP6 205 1.020 2.246 30.898 29.724 -99.200 -91.000 HIS 214 0.900 4.441 32.693 38.051 -99.200 -91.000 PHE 215 1.000 8.103 25.088 38.249 -99.200 -91.000 TYR 218 0.840 11.058 25.840 28.057 -99.200 -91.000 TYR 224 0.840 2.358 21.806 17.635 -99.200 -91.000 TRP 227 1.040 1.114 21.854 11.143 -99.200 -91.000 TRP6 227 1.020 2.728 23.559 11.389 -99.200 -91.000 PHE 246 1.000 -1.692 20.873 15.324 -99.200 -91.000