============================================================================= 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. HIS 3 0.900 18.023 15.881 20.999 -99.200 -91.000 TYR 7 0.840 7.435 4.566 23.038 -99.200 -91.000 PHE 8 1.000 10.720 2.686 15.241 -99.200 -91.000 PHE 9 1.000 3.999 0.209 19.666 -99.200 -91.000 PHE 22 1.000 2.781 -5.744 20.925 -99.200 -91.000 TYR 27 0.840 15.089 2.168 18.437 -99.200 -91.000 PHE 33 1.000 12.818 5.069 25.763 -99.200 -91.000 PHE 36 1.000 5.169 -7.130 26.252 -99.200 -91.000 TRP 51 1.040 19.470 6.697 28.826 -99.200 -91.000 TRP6 51 1.020 17.237 6.977 28.114 -99.200 -91.000 TYR 59 0.840 8.931 4.781 32.645 -99.200 -91.000 TRP 60 1.040 10.753 0.413 34.951 -99.200 -91.000 TRP6 60 1.020 11.333 0.320 32.666 -99.200 -91.000 HIS 70 0.900 0.206 0.853 22.875 -99.200 -91.000 HIS 74 0.900 -0.282 -3.482 17.083 -99.200 -91.000 TYR 84 0.840 -11.255 -3.516 7.678 -99.200 -91.000 TYR 85 0.840 -6.274 -5.558 2.962 -99.200 -91.000 HIS 93 0.900 -1.875 -12.375 5.965 -99.200 -91.000 TYR 99 0.840 2.758 5.460 19.606 -99.200 -91.000 TRP 107 1.040 15.959 19.962 24.025 -99.200 -91.000 TRP6 107 1.020 16.478 19.172 26.188 -99.200 -91.000 PHE 109 1.000 4.470 18.554 17.947 -99.200 -91.000 TYR 113 0.840 7.197 10.765 13.934 -99.200 -91.000 HIS 114 0.900 -1.308 6.300 15.293 -99.200 -91.000 TYR 116 0.840 -1.882 1.310 13.109 -99.200 -91.000 TYR 118 0.840 -2.602 -6.876 6.544 -99.200 -91.000 TYR 123 0.840 -5.006 -0.411 6.796 -99.200 -91.000 TRP 133 1.040 -6.845 9.829 10.564 -99.200 -91.000 TRP6 133 1.020 -5.120 8.793 11.797 -99.200 -91.000 HIS 145 0.900 -14.753 6.496 5.097 -99.200 -91.000 TRP 147 1.040 -8.771 4.738 13.665 -99.200 -91.000 TRP6 147 1.020 -6.539 4.448 12.958 -99.200 -91.000 HIS 151 0.900 -14.724 13.818 17.031 -99.200 -91.000 TYR 159 0.840 1.799 9.715 23.026 -99.200 -91.000 TRP 167 1.040 6.442 11.621 30.421 -99.200 -91.000 TRP6 167 1.020 7.548 10.740 32.306 -99.200 -91.000 TYR 171 0.840 11.743 8.932 28.526 -99.200 -91.000 HIS 188 0.900 40.133 2.936 9.338 -99.200 -91.000 HIS 191 0.900 46.083 0.521 -2.173 -99.200 -91.000 HIS 192 0.900 42.695 -4.123 2.146 -99.200 -91.000 HIS 197 0.900 44.794 -4.525 -14.224 -99.200 -91.000 TRP 204 1.040 37.111 1.023 6.794 -99.200 -91.000 TRP6 204 1.020 35.583 -0.526 7.715 -99.200 -91.000 PHE 208 1.000 28.851 6.876 11.972 -99.200 -91.000 TYR 209 0.840 23.727 8.632 19.388 -99.200 -91.000 TRP 217 1.040 35.292 6.708 -1.866 -99.200 -91.000 TRP6 217 1.020 37.560 7.214 -1.462 -99.200 -91.000 PHE 241 1.000 23.757 3.960 15.124 -99.200 -91.000 TRP 244 1.040 32.488 -0.943 4.575 -99.200 -91.000 TRP6 244 1.020 32.278 -1.499 2.286 -99.200 -91.000 TYR 257 0.840 39.702 7.549 -7.457 -99.200 -91.000 HIS 260 0.900 35.116 15.349 -0.562 -99.200 -91.000 HIS 263 0.900 28.265 12.415 12.941 -99.200 -91.000 TRP 274 1.040 46.794 5.307 -0.185 -99.200 -91.000 TRP6 274 1.020 46.308 3.953 1.682 -99.200 -91.000