============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 10 0.840 -152.092 -81.361 28.577 -99.200 -91.000 TRP 32 1.040 -146.602 -65.411 20.525 -99.200 -91.000 TRP6 32 1.020 -147.641 -63.569 21.587 -99.200 -91.000 PHE 37 1.000 -158.507 -60.037 23.681 -99.200 -91.000 TRP 39 1.040 -155.758 -55.883 21.671 -99.200 -91.000 TRP6 39 1.020 -154.794 -56.566 23.718 -99.200 -91.000 TYR 41 0.840 -146.738 -62.544 16.486 -99.200 -91.000 TYR 44 0.840 -143.149 -61.376 21.432 -99.200 -91.000 PHE 50 1.000 -132.834 -56.843 25.711 -99.200 -91.000 TRP 51 1.040 -134.756 -50.442 28.119 -99.200 -91.000 TRP6 51 1.020 -133.900 -49.915 30.254 -99.200 -91.000 PHE 54 1.000 -125.466 -54.653 33.219 -99.200 -91.000 HIS 59 0.900 -120.591 -35.094 31.156 -99.200 -91.000 PHE 64 1.000 -125.515 -36.804 42.654 -99.200 -91.000 PHE 75 1.000 -129.879 -38.420 40.372 -99.200 -91.000 PHE 84 1.000 -136.950 -49.547 51.040 -99.200 -91.000 TYR 92 0.840 -150.907 -57.805 47.164 -99.200 -91.000 TYR 98 0.840 -156.859 -66.452 40.213 -99.200 -91.000 PHE 112 1.000 -136.284 -59.359 30.631 -99.200 -91.000 HIS 117 0.900 -138.929 -51.053 33.563 -99.200 -91.000 TYR 121 0.840 -136.049 -47.314 38.876 -99.200 -91.000 TYR 123 0.840 -125.558 -49.329 35.046 -99.200 -91.000 PHE 138 1.000 -131.236 -48.765 48.985 -99.200 -91.000 TYR 140 0.840 -131.981 -40.923 57.076 -99.200 -91.000 TRP 141 1.040 -136.527 -43.346 50.438 -99.200 -91.000 TRP6 141 1.020 -138.442 -41.980 50.505 -99.200 -91.000 HIS 143 0.900 -136.375 -47.643 60.334 -99.200 -91.000 PHE 153 1.000 -154.692 -45.536 47.061 -99.200 -91.000 TYR 158 0.840 -152.448 -54.296 43.133 -99.200 -91.000 PHE 161 1.000 -157.487 -61.370 42.000 -99.200 -91.000 PHE 170 1.000 -157.740 -59.902 36.279 -99.200 -91.000 TYR 176 0.840 -156.768 -50.688 43.349 -99.200 -91.000 PHE 185 1.000 -142.818 -43.861 43.173 -99.200 -91.000 TYR 186 0.840 -145.979 -41.689 34.606 -99.200 -91.000 PHE 189 1.000 -140.841 -42.584 36.479 -99.200 -91.000 PHE 191 1.000 -134.812 -34.300 40.836 -99.200 -91.000 PHE 192 1.000 -134.614 -39.196 38.557 -99.200 -91.000 TYR 193 0.840 -138.395 -37.825 31.627 -99.200 -91.000 TYR 208 0.840 -133.340 -46.021 26.435 -99.200 -91.000 HIS 216 0.900 -144.700 -52.641 31.383 -99.200 -91.000 TYR 218 0.840 -152.057 -50.855 23.156 -99.200 -91.000 PHE 220 1.000 -151.047 -53.756 33.525 -99.200 -91.000 PHE 224 1.000 -161.780 -50.383 33.052 -99.200 -91.000 PHE 231 1.000 -166.134 -61.702 32.927 -99.200 -91.000 PHE 242 1.000 -162.351 -49.113 41.788 -99.200 -91.000 TRP 256 1.040 -145.896 -40.484 48.238 -99.200 -91.000 TRP6 256 1.020 -143.939 -41.474 49.031 -99.200 -91.000 PHE 257 1.000 -144.089 -31.410 43.177 -99.200 -91.000 TYR 259 0.840 -141.990 -36.950 52.904 -99.200 -91.000 TYR 275 0.840 -146.687 -34.222 33.882 -99.200 -91.000 PHE 278 1.000 -152.288 -33.468 29.893 -99.200 -91.000 TYR 292 0.840 -158.411 -34.168 39.124 -99.200 -91.000 HIS 297 0.900 -155.155 -26.566 26.391 -99.200 -91.000 TRP 301 1.040 -140.394 -28.426 31.635 -99.200 -91.000 TRP6 301 1.020 -139.833 -30.526 32.528 -99.200 -91.000