============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 1 1.000 -70.438 21.234 62.032 -99.200 -91.000 HIS 8 0.900 -61.711 17.243 67.297 -99.200 -91.000 PHE 15 1.000 -47.820 10.367 62.894 -99.200 -91.000 HIS 18 0.900 -55.312 11.704 62.090 -99.200 -91.000 PHE 65 1.000 -52.744 -10.220 27.080 -99.200 -91.000 HIS 67 0.900 -54.879 -18.180 33.668 -99.200 -91.000 HIS 70 0.900 -51.678 -12.208 21.244 -99.200 -91.000 TYR 72 0.840 -60.901 -13.924 27.300 -99.200 -91.000 HIS 73 0.900 -56.504 -11.598 27.475 -99.200 -91.000 PHE 87 1.000 -71.357 5.376 30.730 -99.200 -91.000 TYR 94 0.840 -65.101 9.747 28.128 -99.200 -91.000 TYR 134 0.840 -45.079 -39.791 31.497 -99.200 -91.000 TRP 144 1.040 -44.827 -32.035 31.914 -99.200 -91.000 TRP6 144 1.020 -45.691 -29.922 31.287 -99.200 -91.000 TYR 147 0.840 -37.444 -23.673 36.184 -99.200 -91.000 TYR 161 0.840 -44.329 -23.590 49.766 -99.200 -91.000 PHE 176 1.000 -35.900 -39.073 39.020 -99.200 -91.000 PHE 186 1.000 -60.280 -32.928 47.143 -99.200 -91.000 PHE 215 1.000 -53.609 -8.338 21.857 -99.200 -91.000 PHE 225 1.000 -51.310 -2.956 35.887 -99.200 -91.000 PHE 228 1.000 -43.936 -14.191 38.819 -99.200 -91.000 HIS 236 0.900 -33.685 -0.087 31.937 -99.200 -91.000 HIS 258 0.900 -35.742 -12.558 50.315 -99.200 -91.000 PHE 264 1.000 -39.393 -0.454 45.594 -99.200 -91.000 PHE 291 1.000 -46.207 -6.413 58.942 -99.200 -91.000 TYR 354 0.840 -72.761 -11.757 45.499 -99.200 -91.000 HIS 363 0.900 -66.881 5.641 45.354 -99.200 -91.000 PHE 374 1.000 -51.724 13.877 62.155 -99.200 -91.000 HIS 375 0.900 -55.159 14.447 53.967 -99.200 -91.000 PHE 379 1.000 -47.144 20.019 52.117 -99.200 -91.000 TYR 405 0.840 -52.604 19.880 53.070 -99.200 -91.000 HIS 423 0.900 -48.461 12.515 35.915 -99.200 -91.000 TYR 428 0.840 -44.566 17.433 47.239 -99.200 -91.000 HIS 441 0.900 -58.969 12.342 23.555 -99.200 -91.000 HIS 448 0.900 -58.735 7.113 35.702 -99.200 -91.000 TYR 450 0.840 -49.138 9.734 38.508 -99.200 -91.000 PHE 454 1.000 -63.536 12.968 38.546 -99.200 -91.000 TRP 466 1.040 -52.255 30.973 27.724 -99.200 -91.000 TRP6 466 1.020 -52.179 28.646 27.296 -99.200 -91.000 PHE 486 1.000 -65.594 15.505 42.386 -99.200 -91.000 PHE 487 1.000 -65.842 22.412 42.301 -99.200 -91.000 TRP 499 1.040 -47.927 35.225 32.820 -99.200 -91.000 TRP6 499 1.020 -49.622 35.943 34.314 -99.200 -91.000 PHE 505 1.000 -42.948 25.499 35.751 -99.200 -91.000