============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 -10.515 8.485 -38.486 -99.200 -91.000 TRP6 15 1.020 -8.790 9.890 -39.241 -99.200 -91.000 PHE 21 1.000 -10.682 0.460 -32.456 -99.200 -91.000 HIS 34 0.900 20.054 4.201 -31.744 -99.200 -91.000 HIS 51 0.900 -10.276 0.419 -19.491 -99.200 -91.000 HIS 67 0.900 -2.561 -2.690 -24.870 -99.200 -91.000 PHE 93 1.000 1.893 -2.554 -21.403 -99.200 -91.000 HIS 105 0.900 14.341 -0.066 -6.897 -99.200 -91.000 PHE 110 1.000 4.769 3.700 -15.386 -99.200 -91.000 PHE 130 1.000 1.520 4.244 -36.981 -99.200 -91.000 HIS 138 0.900 -1.976 12.208 -31.483 -99.200 -91.000 HIS 139 0.900 3.743 6.072 -33.472 -99.200 -91.000 PHE 140 1.000 -2.906 2.769 -26.194 -99.200 -91.000 PHE 146 1.000 -6.078 -2.793 -31.676 -99.200 -91.000 TYR 149 0.840 4.246 -4.051 -43.020 -99.200 -91.000 PHE 176 1.000 0.953 -15.727 -18.582 -99.200 -91.000 TYR 180 0.840 2.703 -16.855 -14.127 -99.200 -91.000 PHE 198 1.000 -12.650 -8.221 -5.088 -99.200 -91.000 PHE 229 1.000 -18.862 -16.628 -10.978 -99.200 -91.000 TYR 246 0.840 -22.621 -13.683 -1.773 -99.200 -91.000 PHE 264 1.000 -0.403 -12.961 -0.627 -99.200 -91.000 PHE 266 1.000 -3.539 -10.854 -6.589 -99.200 -91.000 TYR 286 0.840 -2.389 -12.104 8.226 -99.200 -91.000 TRP 314 1.040 -4.726 -0.514 -2.092 -99.200 -91.000 TRP6 314 1.020 -5.935 1.451 -1.694 -99.200 -91.000 PHE 319 1.000 4.606 -6.673 -19.572 -99.200 -91.000 PHE 322 1.000 6.728 -10.828 -15.168 -99.200 -91.000 PHE 335 1.000 2.718 -20.714 -25.001 -99.200 -91.000 PHE 340 1.000 3.405 -18.704 -19.503 -99.200 -91.000 HIS 348 0.900 -15.153 -15.548 -28.615 -99.200 -91.000 PHE 352 1.000 -6.131 -4.806 -38.363 -99.200 -91.000 PHE 359 1.000 -11.581 -3.173 -29.528 -99.200 -91.000 PHE 374 1.000 -2.484 -7.177 -37.655 -99.200 -91.000