============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 6 1.040 -26.586 21.350 55.182 -99.200 -91.000 TRP6 6 1.020 -28.723 20.633 54.433 -99.200 -91.000 PHE 20 1.000 -27.191 2.729 51.163 -99.200 -91.000 TYR 32 0.840 -26.518 14.898 45.193 -99.200 -91.000 HIS 35 0.900 -28.300 19.546 41.513 -99.200 -91.000 TYR 38 0.840 -30.519 21.401 34.527 -99.200 -91.000 HIS 62 0.900 -39.580 0.869 45.247 -99.200 -91.000 HIS 68 0.900 -43.296 4.326 40.279 -99.200 -91.000 PHE 80 1.000 -30.987 17.557 26.216 -99.200 -91.000 TRP 120 1.040 -39.492 14.414 21.366 -99.200 -91.000 TRP6 120 1.020 -40.401 16.520 21.996 -99.200 -91.000 HIS 125 0.900 -28.518 5.878 18.679 -99.200 -91.000 HIS 135 0.900 -40.231 -4.464 22.149 -99.200 -91.000 HIS 138 0.900 -49.950 -1.695 18.780 -99.200 -91.000 HIS 148 0.900 -54.473 11.819 28.627 -99.200 -91.000 TRP 151 1.040 -60.803 10.162 17.041 -99.200 -91.000 TRP6 151 1.020 -60.388 7.866 17.437 -99.200 -91.000 HIS 153 0.900 -61.855 19.130 22.181 -99.200 -91.000 TRP 156 1.040 -53.513 14.934 31.181 -99.200 -91.000 TRP6 156 1.020 -52.604 12.916 32.054 -99.200 -91.000 PHE 193 1.000 -60.883 15.652 18.083 -99.200 -91.000 TYR 221 0.840 -40.879 9.186 1.630 -99.200 -91.000 HIS 224 0.900 -47.004 6.830 -4.088 -99.200 -91.000 TYR 238 0.840 -54.376 1.791 5.787 -99.200 -91.000 PHE 242 1.000 -56.042 7.571 0.843 -99.200 -91.000 TYR 250 0.840 -51.480 17.825 5.638 -99.200 -91.000 TRP 278 1.040 -51.957 7.866 -5.074 -99.200 -91.000 TRP6 278 1.020 -52.967 7.185 -3.041 -99.200 -91.000 TYR 280 0.840 -58.393 7.530 -3.324 -99.200 -91.000 TYR 283 0.840 -60.339 11.396 -7.598 -99.200 -91.000 HIS 305 0.900 -37.294 31.393 9.017 -99.200 -91.000 HIS 332 0.900 -51.928 31.932 -8.315 -99.200 -91.000 TRP 350 1.040 -27.286 37.498 -5.233 -99.200 -91.000 TRP6 350 1.020 -25.940 37.014 -7.115 -99.200 -91.000 PHE 352 1.000 -32.716 31.141 -0.850 -99.200 -91.000 TRP 412 1.040 -32.327 26.984 -28.540 -99.200 -91.000 TRP6 412 1.020 -31.353 29.139 -28.519 -99.200 -91.000 TYR 414 0.840 -41.972 26.316 -24.659 -99.200 -91.000 TRP 426 1.040 -27.463 34.936 -24.844 -99.200 -91.000 TRP6 426 1.020 -25.478 34.218 -23.774 -99.200 -91.000 PHE 431 1.000 -27.573 29.642 -22.988 -99.200 -91.000