============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 30.278 48.037 180.569 -99.200 -91.000 PHE 19 1.000 17.030 51.366 151.533 -99.200 -91.000 TRP 27 1.040 21.080 42.433 150.141 -99.200 -91.000 TRP6 27 1.020 23.002 41.795 148.884 -99.200 -91.000 HIS 29 0.900 17.155 37.033 145.082 -99.200 -91.000 PHE 36 1.000 9.636 36.024 140.654 -99.200 -91.000 PHE 37 1.000 11.128 36.300 148.362 -99.200 -91.000 HIS 47 0.900 13.640 54.659 140.434 -99.200 -91.000 PHE 58 1.000 22.373 45.599 135.110 -99.200 -91.000 PHE 63 1.000 14.650 41.292 142.835 -99.200 -91.000 HIS 80 0.900 -8.369 40.201 144.320 -99.200 -91.000 PHE 101 1.000 7.754 33.374 150.117 -99.200 -91.000 HIS 126 0.900 -0.832 28.615 139.651 -99.200 -91.000 HIS 129 0.900 6.229 22.386 140.303 -99.200 -91.000 TYR 133 0.840 4.285 30.143 151.823 -99.200 -91.000 TYR 135 0.840 6.821 38.919 152.354 -99.200 -91.000 PHE 144 1.000 17.524 47.203 155.300 -99.200 -91.000 PHE 213 1.000 11.018 30.701 168.878 -99.200 -91.000 PHE 219 1.000 16.332 41.257 160.747 -99.200 -91.000 PHE 239 1.000 19.341 38.962 168.591 -99.200 -91.000 PHE 241 1.000 25.229 41.032 165.179 -99.200 -91.000 TRP 249 1.040 22.713 33.225 169.309 -99.200 -91.000 TRP6 249 1.020 22.881 31.246 168.016 -99.200 -91.000 TYR 257 0.840 19.142 21.586 172.755 -99.200 -91.000 PHE 264 1.000 29.995 27.500 175.835 -99.200 -91.000 HIS 282 0.900 39.977 45.737 162.613 -99.200 -91.000 PHE 292 1.000 23.529 60.081 166.316 -99.200 -91.000 PHE 294 1.000 21.461 59.952 161.812 -99.200 -91.000 PHE 306 1.000 32.087 43.792 167.845 -99.200 -91.000 PHE 322 1.000 9.062 46.459 167.275 -99.200 -91.000 HIS 324 0.900 9.787 41.539 170.932 -99.200 -91.000 HIS 354 0.900 25.468 63.769 163.290 -99.200 -91.000 HIS 377 0.900 29.323 65.747 161.591 -99.200 -91.000 TRP 381 1.040 27.870 51.220 152.724 -99.200 -91.000 TRP6 381 1.020 26.274 50.009 151.425 -99.200 -91.000 PHE 387 1.000 25.736 44.235 151.278 -99.200 -91.000 HIS 391 0.900 24.596 37.787 162.146 -99.200 -91.000 PHE 392 1.000 27.022 32.081 165.057 -99.200 -91.000 TYR 393 0.840 33.089 32.068 168.906 -99.200 -91.000 PHE 403 1.000 30.627 48.928 162.810 -99.200 -91.000