============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 5 1.000 -0.467 12.875 -6.810 -99.200 -91.000 PHE 7 1.000 1.587 11.728 -11.352 -99.200 -91.000 HIS 10 0.900 -7.994 10.724 -14.579 -99.200 -91.000 TYR 11 0.840 -12.066 12.663 -7.380 -99.200 -91.000 HIS 20 0.900 -7.058 11.180 -6.726 -99.200 -91.000 TYR 21 0.840 -9.301 6.451 -11.615 -99.200 -91.000 PHE 34 1.000 2.546 2.138 -10.338 -99.200 -91.000 HIS 36 0.900 -2.807 4.173 -0.476 -99.200 -91.000 TYR 43 0.840 3.111 13.344 -1.885 -99.200 -91.000 TRP 45 1.040 2.102 3.771 -5.301 -99.200 -91.000 TRP6 45 1.020 3.764 2.108 -5.013 -99.200 -91.000 HIS 51 0.900 12.183 6.258 -13.053 -99.200 -91.000 HIS 56 0.900 4.220 -1.306 -19.807 -99.200 -91.000 TYR 76 0.840 -12.677 3.676 6.479 -99.200 -91.000 PHE 77 1.000 -13.224 -4.889 11.377 -99.200 -91.000 PHE 78 1.000 -7.162 -7.371 3.393 -99.200 -91.000 HIS 81 0.900 -9.122 -0.087 3.270 -99.200 -91.000 TYR 84 0.840 -16.082 1.029 -0.522 -99.200 -91.000 PHE 88 1.000 -9.748 2.042 -8.888 -99.200 -91.000 HIS 102 0.900 4.961 0.329 1.170 -99.200 -91.000 TRP 104 1.040 -2.492 -2.878 6.278 -99.200 -91.000 TRP6 104 1.020 -3.483 -5.013 6.616 -99.200 -91.000 PHE 110 1.000 2.049 -10.357 -2.504 -99.200 -91.000 HIS 111 0.900 -8.046 -11.973 -0.321 -99.200 -91.000 TRP 112 1.040 -8.202 -8.346 -7.852 -99.200 -91.000 TRP6 112 1.020 -7.174 -8.620 -9.943 -99.200 -91.000 PHE 128 1.000 6.299 -9.807 0.699 -99.200 -91.000 PHE 132 1.000 5.771 -9.530 10.599 -99.200 -91.000 TRP 135 1.040 3.099 -9.241 19.574 -99.200 -91.000 TRP6 135 1.020 3.089 -7.229 18.323 -99.200 -91.000 TRP 138 1.040 6.357 -5.376 14.769 -99.200 -91.000 TRP6 138 1.020 5.047 -5.238 12.814 -99.200 -91.000 PHE 141 1.000 11.840 0.164 13.902 -99.200 -91.000 PHE 146 1.000 3.327 -0.828 13.941 -99.200 -91.000 PHE 149 1.000 1.024 2.872 16.415 -99.200 -91.000 PHE 165 1.000 0.674 3.634 11.186 -99.200 -91.000 HIS 185 0.900 1.563 17.200 -1.669 -99.200 -91.000 TYR 186 0.840 3.133 10.705 2.424 -99.200 -91.000 PHE 190 1.000 -5.530 10.034 6.713 -99.200 -91.000 TRP 200 1.040 -7.059 1.993 16.719 -99.200 -91.000 TRP6 200 1.020 -9.006 0.673 16.584 -99.200 -91.000 PHE 202 1.000 -5.318 -0.135 6.086 -99.200 -91.000 TYR 222 0.840 -1.292 -12.173 1.131 -99.200 -91.000 TRP 225 1.040 -1.730 -17.812 -6.193 -99.200 -91.000 TRP6 225 1.020 -0.712 -15.769 -6.798 -99.200 -91.000 HIS 227 0.900 6.793 -19.071 -0.265 -99.200 -91.000 PHE 236 1.000 11.937 -2.753 -6.869 -99.200 -91.000 TRP 237 1.040 16.788 -6.728 -0.998 -99.200 -91.000 TRP6 237 1.020 18.709 -6.420 0.334 -99.200 -91.000 HIS 269 0.900 6.241 -0.313 5.573 -99.200 -91.000 TYR 270 0.840 5.725 4.354 5.269 -99.200 -91.000 TRP 286 1.040 9.886 -7.635 -13.631 -99.200 -91.000 TRP6 286 1.020 7.764 -6.929 -12.853 -99.200 -91.000 HIS 291 0.900 2.398 -7.813 -24.683 -99.200 -91.000 HIS 292 0.900 4.739 -14.700 -26.257 -99.200 -91.000 HIS 293 0.900 -1.176 -16.860 -22.641 -99.200 -91.000 HIS 294 0.900 6.172 -16.997 -22.785 -99.200 -91.000