============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 3 0.900 -46.498 -10.669 8.484 -99.200 -91.000 PHE 20 1.000 -14.932 -42.570 -1.533 -99.200 -91.000 PHE 21 1.000 -16.975 -47.562 -4.107 -99.200 -91.000 HIS 31 0.900 2.370 -48.501 -12.199 -99.200 -91.000 TYR 42 0.840 -19.492 -60.213 -8.010 -99.200 -91.000 TRP 45 1.040 -23.059 -61.700 -17.479 -99.200 -91.000 TRP6 45 1.020 -23.915 -63.730 -18.344 -99.200 -91.000 TYR 55 0.840 -15.593 -36.426 -13.046 -99.200 -91.000 PHE 60 1.000 -11.415 -42.183 -24.349 -99.200 -91.000 TRP 67 1.040 -23.114 -56.066 -19.059 -99.200 -91.000 TRP6 67 1.020 -23.108 -57.076 -16.916 -99.200 -91.000 TYR 95 0.840 -14.014 -49.813 -2.889 -99.200 -91.000 PHE 109 1.000 -13.469 -28.368 8.590 -99.200 -91.000 TYR 121 0.840 -27.431 -33.785 2.076 -99.200 -91.000 TYR 149 0.840 -17.480 -22.803 -11.800 -99.200 -91.000 PHE 169 1.000 -12.914 -11.223 -9.932 -99.200 -91.000 TRP 171 1.040 -21.899 -14.096 -4.157 -99.200 -91.000 TRP6 171 1.020 -24.243 -14.380 -4.093 -99.200 -91.000 PHE 207 1.000 -9.465 -40.924 -0.851 -99.200 -91.000 HIS 215 0.900 -30.068 -19.692 2.168 -99.200 -91.000 HIS 237 0.900 -35.335 -17.730 -1.778 -99.200 -91.000 PHE 244 1.000 -35.660 -25.565 -8.328 -99.200 -91.000 TYR 271 0.840 -38.233 -27.723 -18.708 -99.200 -91.000 PHE 278 1.000 -49.937 -27.301 -11.429 -99.200 -91.000 HIS 286 0.900 -53.720 -34.034 -9.087 -99.200 -91.000 PHE 287 1.000 -48.455 -34.920 -7.489 -99.200 -91.000 TRP 294 1.040 -40.016 -32.174 0.056 -99.200 -91.000 TRP6 294 1.020 -39.315 -32.690 -2.136 -99.200 -91.000 TYR 296 0.840 -47.308 -23.684 -2.169 -99.200 -91.000 HIS 304 0.900 -39.034 -25.202 6.297 -99.200 -91.000 PHE 322 1.000 -26.571 -66.555 -4.117 -99.200 -91.000 TRP 336 1.040 -19.891 -72.755 1.423 -99.200 -91.000 TRP6 336 1.020 -19.411 -71.044 -0.129 -99.200 -91.000 TRP 337 1.040 -23.519 -69.429 -1.881 -99.200 -91.000 TRP6 337 1.020 -21.902 -67.793 -2.414 -99.200 -91.000 TYR 387 0.840 -22.312 -58.163 17.327 -99.200 -91.000 HIS 390 0.900 -19.776 -71.771 12.577 -99.200 -91.000 HIS 394 0.900 -29.612 -73.733 13.330 -99.200 -91.000 PHE 397 1.000 -31.577 -74.265 6.243 -99.200 -91.000 TRP 410 1.040 -34.705 -73.478 -1.066 -99.200 -91.000 TRP6 410 1.020 -34.410 -73.592 1.268 -99.200 -91.000 PHE 418 1.000 -29.907 -57.077 2.973 -99.200 -91.000 PHE 424 1.000 -26.017 -51.435 14.609 -99.200 -91.000