============================================================================= 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 4 1.000 -7.515 5.662 -13.897 -99.200 -91.000 PHE 6 1.000 1.914 6.053 -16.054 -99.200 -91.000 TYR 9 0.840 3.423 2.825 -9.465 -99.200 -91.000 PHE 22 1.000 0.286 -7.087 -12.275 -99.200 -91.000 PHE 23 1.000 -2.501 0.234 -11.350 -99.200 -91.000 HIS 64 0.900 -18.823 6.470 -22.291 -99.200 -91.000 PHE 67 1.000 -12.222 2.453 -21.954 -99.200 -91.000 PHE 81 1.000 -1.515 -10.901 -27.856 -99.200 -91.000 PHE 90 1.000 -22.574 -11.162 -12.167 -99.200 -91.000 PHE 101 1.000 -25.772 1.520 -16.005 -99.200 -91.000 TYR 109 0.840 -18.176 0.954 -21.747 -99.200 -91.000 PHE 114 1.000 -24.515 -13.038 -16.862 -99.200 -91.000 PHE 118 1.000 -26.171 -8.555 -5.639 -99.200 -91.000 TYR 131 0.840 -18.972 -13.264 -15.676 -99.200 -91.000 TYR 158 0.840 -14.239 -10.851 -18.579 -99.200 -91.000 PHE 160 1.000 -6.200 -15.590 -19.282 -99.200 -91.000 PHE 161 1.000 -0.511 -10.428 -22.082 -99.200 -91.000 TRP 165 1.040 8.991 -14.356 -21.856 -99.200 -91.000 TRP6 165 1.020 8.440 -12.117 -21.330 -99.200 -91.000 PHE 169 1.000 14.032 -14.446 -20.066 -99.200 -91.000 HIS 171 0.900 12.107 -23.772 -18.263 -99.200 -91.000 PHE 179 1.000 14.554 -8.160 -6.366 -99.200 -91.000 TYR 180 0.840 21.734 -7.646 -3.528 -99.200 -91.000 TYR 198 0.840 16.982 -8.900 -24.353 -99.200 -91.000 HIS 199 0.900 13.178 -2.106 -29.909 -99.200 -91.000 TYR 200 0.840 20.052 -0.236 -22.286 -99.200 -91.000 TYR 215 0.840 4.572 -10.469 -23.086 -99.200 -91.000 PHE 223 1.000 10.054 -7.281 -17.500 -99.200 -91.000 TRP 246 1.040 11.020 5.535 -20.415 -99.200 -91.000 TRP6 246 1.020 9.860 4.752 -18.507 -99.200 -91.000 PHE 250 1.000 12.227 0.394 -25.264 -99.200 -91.000 TYR 258 0.840 22.477 -12.927 -15.921 -99.200 -91.000 PHE 262 1.000 8.006 -10.729 -11.992 -99.200 -91.000 TYR 268 0.840 -3.873 -2.576 -5.160 -99.200 -91.000 PHE 283 1.000 -15.838 5.505 -4.613 -99.200 -91.000 HIS 286 0.900 -24.882 14.927 0.248 -99.200 -91.000 HIS 295 0.900 -34.193 2.298 -4.058 -99.200 -91.000 HIS 305 0.900 -7.856 -3.908 -10.371 -99.200 -91.000 PHE 326 1.000 -23.279 0.638 -9.013 -99.200 -91.000 PHE 328 1.000 -31.281 0.387 -4.440 -99.200 -91.000