============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 9 1.000 -2.734 -39.159 -56.723 -99.200 -91.000 HIS 16 0.900 2.762 -31.197 -43.527 -99.200 -91.000 TYR 28 0.840 -4.516 -43.796 -55.490 -99.200 -91.000 PHE 33 1.000 7.086 -32.381 -52.467 -99.200 -91.000 HIS 34 0.900 8.616 -30.866 -59.627 -99.200 -91.000 HIS 51 0.900 -3.881 -41.335 -64.670 -99.200 -91.000 PHE 52 1.000 -6.571 -38.245 -59.239 -99.200 -91.000 HIS 60 0.900 -1.993 -17.511 -62.033 -99.200 -91.000 PHE 78 1.000 -3.061 -31.037 -51.737 -99.200 -91.000 PHE 98 1.000 -12.834 -33.144 -55.152 -99.200 -91.000 PHE 102 1.000 -15.715 -24.207 -44.216 -99.200 -91.000 HIS 131 0.900 12.704 -2.926 -34.321 -99.200 -91.000 TRP 135 1.040 12.117 4.638 -23.298 -99.200 -91.000 TRP6 135 1.020 13.003 2.434 -23.305 -99.200 -91.000 PHE 143 1.000 -7.304 0.965 -21.615 -99.200 -91.000 TYR 155 0.840 -20.269 -17.829 -32.162 -99.200 -91.000 HIS 157 0.900 -16.567 -24.126 -40.384 -99.200 -91.000 TYR 171 0.840 -16.582 -9.869 -19.334 -99.200 -91.000 TYR 173 0.840 -20.998 -9.032 -25.165 -99.200 -91.000 PHE 174 1.000 -22.987 -15.259 -31.574 -99.200 -91.000 TYR 175 0.840 -25.033 -8.616 -37.260 -99.200 -91.000 HIS 191 0.900 -31.449 -4.533 -33.909 -99.200 -91.000 HIS 204 0.900 -12.719 -13.781 -37.557 -99.200 -91.000 HIS 248 0.900 -14.729 6.580 -33.353 -99.200 -91.000 PHE 257 1.000 -3.665 -5.363 -46.536 -99.200 -91.000 PHE 268 1.000 0.489 -3.919 -48.525 -99.200 -91.000 PHE 275 1.000 -3.055 5.903 -40.493 -99.200 -91.000 HIS 283 0.900 -5.078 -13.712 -48.035 -99.200 -91.000 TYR 306 0.840 -13.484 -37.743 -59.251 -99.200 -91.000 PHE 318 1.000 -17.814 -33.082 -62.030 -99.200 -91.000 HIS 326 0.900 -24.243 -49.627 -48.579 -99.200 -91.000 HIS 332 0.900 -22.204 -41.757 -68.804 -99.200 -91.000 HIS 334 0.900 -24.613 -37.628 -67.902 -99.200 -91.000 PHE 348 1.000 -25.767 -50.528 -65.818 -99.200 -91.000 TYR 359 0.840 -26.240 -38.435 -54.737 -99.200 -91.000 TYR 367 0.840 -19.696 -38.047 -60.915 -99.200 -91.000 TYR 398 0.840 -16.477 -49.841 -55.357 -99.200 -91.000