============================================================================= 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 -9.475 -11.138 13.756 -99.200 -91.000 TYR 7 0.840 -10.637 3.819 9.231 -99.200 -91.000 PHE 8 1.000 -2.420 3.256 12.093 -99.200 -91.000 PHE 9 1.000 -7.733 9.348 10.199 -99.200 -91.000 PHE 22 1.000 -6.209 13.886 6.188 -99.200 -91.000 TYR 27 0.840 -2.367 -0.496 7.997 -99.200 -91.000 PHE 33 1.000 -10.243 -1.078 5.789 -99.200 -91.000 PHE 36 1.000 -8.414 12.108 0.461 -99.200 -91.000 TRP 51 1.040 -10.226 -7.745 2.526 -99.200 -91.000 TRP6 51 1.020 -10.859 -5.999 3.987 -99.200 -91.000 TYR 59 0.840 -16.887 1.405 2.447 -99.200 -91.000 TRP 60 1.040 -15.789 2.348 -2.725 -99.200 -91.000 TRP6 60 1.020 -13.861 1.940 -1.416 -99.200 -91.000 HIS 70 0.900 -12.236 11.854 9.784 -99.200 -91.000 HIS 74 0.900 -6.603 15.187 11.161 -99.200 -91.000 TYR 84 0.840 -4.361 25.942 21.651 -99.200 -91.000 TYR 85 0.840 2.387 23.027 21.586 -99.200 -91.000 HIS 93 0.900 5.415 23.588 13.391 -99.200 -91.000 TYR 99 0.840 -11.028 7.461 13.966 -99.200 -91.000 TRP 107 1.040 -15.946 -13.306 15.659 -99.200 -91.000 TRP6 107 1.020 -16.124 -12.634 13.388 -99.200 -91.000 PHE 109 1.000 -15.491 -1.724 22.943 -99.200 -91.000 TYR 113 0.840 -6.809 0.560 21.126 -99.200 -91.000 HIS 114 0.900 -9.399 10.541 18.982 -99.200 -91.000 TYR 116 0.840 -5.072 15.474 16.951 -99.200 -91.000 TYR 118 0.840 1.901 20.899 16.772 -99.200 -91.000 TYR 123 0.840 -2.602 18.858 21.825 -99.200 -91.000 TRP 133 1.040 -11.190 13.487 26.395 -99.200 -91.000 TRP6 133 1.020 -10.878 12.608 24.228 -99.200 -91.000 HIS 145 0.900 -13.188 23.837 29.596 -99.200 -91.000 TRP 147 1.040 -11.736 17.847 21.713 -99.200 -91.000 TRP6 147 1.020 -10.143 16.269 20.968 -99.200 -91.000 HIS 151 0.900 -21.452 17.051 27.134 -99.200 -91.000 TYR 159 0.840 -16.197 5.118 14.854 -99.200 -91.000 TRP 167 1.040 -19.872 -0.196 8.986 -99.200 -91.000 TRP6 167 1.020 -20.135 -0.565 6.665 -99.200 -91.000 TYR 171 0.840 -14.746 -2.853 6.946 -99.200 -91.000 HIS 188 0.900 15.656 -20.275 4.921 -99.200 -91.000 HIS 191 0.900 27.806 -23.192 8.784 -99.200 -91.000 HIS 192 0.900 25.855 -17.006 5.341 -99.200 -91.000 HIS 197 0.900 40.403 -21.861 13.786 -99.200 -91.000 TRP 204 1.040 17.344 -16.461 6.597 -99.200 -91.000 TRP6 204 1.020 16.989 -14.355 5.596 -99.200 -91.000 PHE 208 1.000 6.743 -13.447 10.113 -99.200 -91.000 TYR 209 0.840 -1.946 -11.120 8.166 -99.200 -91.000 TRP 217 1.040 20.022 -17.848 17.003 -99.200 -91.000 TRP6 217 1.020 20.252 -19.901 15.865 -99.200 -91.000 PHE 241 1.000 3.813 -7.916 8.147 -99.200 -91.000 TRP 244 1.040 17.894 -11.571 8.869 -99.200 -91.000 TRP6 244 1.020 19.766 -10.940 10.170 -99.200 -91.000 TYR 257 0.840 25.592 -22.209 19.648 -99.200 -91.000 HIS 260 0.900 14.216 -23.204 20.887 -99.200 -91.000 HIS 263 0.900 2.854 -16.262 12.968 -99.200 -91.000 TRP 274 1.040 24.445 -26.633 10.614 -99.200 -91.000 TRP6 274 1.020 23.847 -25.763 8.501 -99.200 -91.000