============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TYR 5 0.840 -74.768 14.540 -7.107 -99.200 -91.000 PHE 28 1.000 -57.866 33.323 -32.040 -99.200 -91.000 PHE 42 1.000 -63.193 32.282 -33.496 -99.200 -91.000 PHE 45 1.000 -68.564 35.521 -34.590 -99.200 -91.000 HIS 49 0.900 -71.736 36.016 -37.201 -99.200 -91.000 HIS 52 0.900 -65.799 36.626 -40.094 -99.200 -91.000 TRP 59 1.040 -59.134 26.134 -37.598 -99.200 -91.000 TRP6 59 1.020 -60.329 27.355 -35.976 -99.200 -91.000 TYR 65 0.840 -52.678 17.436 -46.378 -99.200 -91.000 TYR 84 0.840 -61.148 25.964 -48.465 -99.200 -91.000 PHE 92 1.000 -59.323 34.660 -53.164 -99.200 -91.000 PHE 95 1.000 -58.384 34.714 -44.658 -99.200 -91.000 PHE 113 1.000 -52.432 22.120 -47.637 -99.200 -91.000 HIS 123 0.900 -58.885 36.924 -41.579 -99.200 -91.000 PHE 129 1.000 -60.563 36.604 -29.456 -99.200 -91.000 PHE 132 1.000 -66.223 33.975 -29.468 -99.200 -91.000 TYR 137 0.840 -72.862 32.218 -31.813 -99.200 -91.000 PHE 138 1.000 -66.547 36.804 -24.196 -99.200 -91.000 PHE 141 1.000 -65.087 30.647 -22.990 -99.200 -91.000 TRP 144 1.040 -71.342 26.085 -22.186 -99.200 -91.000 TRP6 144 1.020 -71.932 23.984 -21.319 -99.200 -91.000 TRP 146 1.040 -71.449 31.133 -12.506 -99.200 -91.000 TRP6 146 1.020 -73.035 29.521 -11.840 -99.200 -91.000 TRP 156 1.040 -70.742 17.308 -7.843 -99.200 -91.000 TRP6 156 1.020 -71.741 18.176 -9.785 -99.200 -91.000 PHE 157 1.000 -65.849 13.219 -9.455 -99.200 -91.000 PHE 160 1.000 -67.697 1.668 -11.873 -99.200 -91.000 PHE 168 1.000 -48.015 7.792 0.503 -99.200 -91.000 PHE 172 1.000 -61.583 2.897 -4.396 -99.200 -91.000 TYR 183 0.840 -63.218 11.589 -15.462 -99.200 -91.000 TYR 199 0.840 -48.391 16.636 3.991 -99.200 -91.000 HIS 213 0.900 -53.922 20.465 -20.346 -99.200 -91.000 PHE 216 1.000 -48.750 10.017 -27.626 -99.200 -91.000 TYR 222 0.840 -63.987 16.560 -12.451 -99.200 -91.000 PHE 224 1.000 -62.848 14.286 -5.167 -99.200 -91.000 TYR 244 0.840 -51.378 -8.921 -16.813 -99.200 -91.000 HIS 245 0.900 -51.193 -6.463 -21.130 -99.200 -91.000 TYR 247 0.840 -41.693 -10.633 -17.407 -99.200 -91.000 PHE 256 1.000 -44.920 -6.189 -24.859 -99.200 -91.000 PHE 263 1.000 -48.879 1.782 -31.451 -99.200 -91.000 TYR 264 0.840 -47.276 -1.521 -26.337 -99.200 -91.000 HIS 274 0.900 -46.768 15.697 -26.060 -99.200 -91.000 HIS 276 0.900 -37.812 14.464 -21.487 -99.200 -91.000 TYR 282 0.840 -42.277 8.974 -16.104 -99.200 -91.000 TYR 319 0.840 -29.865 7.199 -5.026 -99.200 -91.000 PHE 325 1.000 -36.627 0.067 -14.857 -99.200 -91.000 TYR 336 0.840 -30.692 13.997 -12.243 -99.200 -91.000 PHE 338 1.000 -35.216 18.160 -20.340 -99.200 -91.000 TYR 342 0.840 -34.979 11.262 -23.982 -99.200 -91.000 PHE 343 1.000 -29.218 3.987 -18.198 -99.200 -91.000 TYR 350 0.840 -31.709 -5.712 -22.674 -99.200 -91.000 PHE 359 1.000 -27.533 -2.176 -16.793 -99.200 -91.000 TYR 382 0.840 -27.816 -4.761 -26.630 -99.200 -91.000 PHE 386 1.000 -32.798 -6.698 -27.538 -99.200 -91.000 PHE 393 1.000