============================================================================= 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 11.276 26.115 37.940 -99.200 -91.000 TYR 7 0.840 22.162 37.881 39.520 -99.200 -91.000 PHE 8 1.000 18.744 39.024 31.581 -99.200 -91.000 PHE 9 1.000 25.477 41.584 35.871 -99.200 -91.000 PHE 22 1.000 26.967 47.400 36.593 -99.200 -91.000 TYR 27 0.840 14.284 39.587 34.578 -99.200 -91.000 PHE 33 1.000 16.720 37.243 41.953 -99.200 -91.000 PHE 36 1.000 24.334 49.229 42.133 -99.200 -91.000 TRP 51 1.040 10.071 35.725 45.258 -99.200 -91.000 TRP6 51 1.020 12.337 35.369 44.672 -99.200 -91.000 TYR 59 0.840 20.579 37.738 48.958 -99.200 -91.000 TRP 60 1.040 18.840 42.156 51.155 -99.200 -91.000 TRP6 60 1.020 18.422 42.403 48.841 -99.200 -91.000 HIS 70 0.900 29.255 41.114 39.337 -99.200 -91.000 HIS 74 0.900 30.202 44.961 32.985 -99.200 -91.000 TYR 84 0.840 41.037 44.880 23.908 -99.200 -91.000 TYR 85 0.840 36.057 46.454 18.873 -99.200 -91.000 HIS 93 0.900 31.475 53.273 21.327 -99.200 -91.000 TYR 99 0.840 26.649 36.452 35.967 -99.200 -91.000 TRP 107 1.040 13.626 21.932 41.547 -99.200 -91.000 TRP6 107 1.020 13.307 23.117 43.569 -99.200 -91.000 PHE 109 1.000 25.094 22.858 35.285 -99.200 -91.000 TYR 113 0.840 22.171 30.633 30.658 -99.200 -91.000 HIS 114 0.900 30.405 35.786 31.068 -99.200 -91.000 TYR 116 0.840 31.649 41.911 27.848 -99.200 -91.000 TYR 118 0.840 32.487 47.947 22.628 -99.200 -91.000 TYR 123 0.840 34.753 41.666 23.310 -99.200 -91.000 TRP 133 1.040 36.654 31.761 27.738 -99.200 -91.000 TRP6 133 1.020 35.030 32.875 29.046 -99.200 -91.000 HIS 145 0.900 44.754 34.898 21.965 -99.200 -91.000 TRP 147 1.040 38.466 37.147 30.404 -99.200 -91.000 TRP6 147 1.020 36.278 37.393 29.532 -99.200 -91.000 HIS 151 0.900 44.411 28.051 34.339 -99.200 -91.000 TYR 159 0.840 27.665 32.314 39.919 -99.200 -91.000 TRP 167 1.040 22.930 31.061 46.966 -99.200 -91.000 TRP6 167 1.020 21.745 32.386 48.518 -99.200 -91.000 TYR 171 0.840 17.754 33.518 45.020 -99.200 -91.000 HIS 188 0.900 -11.083 38.869 25.856 -99.200 -91.000 HIS 191 0.900 -16.894 40.537 14.191 -99.200 -91.000 HIS 192 0.900 -12.710 45.876 17.735 -99.200 -91.000 HIS 197 0.900 -14.270 44.642 1.746 -99.200 -91.000 TRP 204 1.040 -7.801 40.588 23.072 -99.200 -91.000 TRP6 204 1.020 -6.148 42.108 23.828 -99.200 -91.000 PHE 208 1.000 0.234 34.703 28.667 -99.200 -91.000 TYR 209 0.840 5.442 33.344 35.977 -99.200 -91.000 TRP 217 1.040 -6.492 34.268 14.973 -99.200 -91.000 TRP6 217 1.020 -8.789 33.781 15.148 -99.200 -91.000 PHE 241 1.000 5.507 37.750 31.465 -99.200 -91.000 TRP 244 1.040 -3.057 42.052 20.796 -99.200 -91.000 TRP6 244 1.020 -2.889 42.486 18.478 -99.200 -91.000 TYR 257 0.840 -10.517 33.128 9.055 -99.200 -91.000 HIS 260 0.900 -6.772 25.469 17.244 -99.200 -91.000 HIS 263 0.900 0.586 29.484 30.084 -99.200 -91.000 TRP 274 1.040 -17.779 36.048 15.968 -99.200 -91.000 TRP6 274 1.020 -17.307 37.529 17.758 -99.200 -91.000