============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.324 -9.636 21.405 -99.200 -91.000 TRP6 21 1.020 19.277 -8.499 20.659 -99.200 -91.000 TYR 40 0.840 15.520 -3.019 37.222 -99.200 -91.000 HIS 42 0.900 11.042 1.506 30.836 -99.200 -91.000 HIS 47 0.900 4.696 -11.576 18.354 -99.200 -91.000 TYR 49 0.840 13.005 -8.057 22.137 -99.200 -91.000 PHE 74 1.000 5.953 4.023 30.403 -99.200 -91.000 TRP 80 1.040 9.005 -8.740 13.316 -99.200 -91.000 TRP6 80 1.020 11.094 -7.789 13.886 -99.200 -91.000 TYR 83 0.840 2.542 -9.576 13.244 -99.200 -91.000 HIS 84 0.900 6.059 -1.810 9.945 -99.200 -91.000 TYR 104 0.840 -2.901 0.446 31.120 -99.200 -91.000 TYR 108 0.840 2.223 -2.149 19.918 -99.200 -91.000 HIS 111 0.900 11.449 -4.526 17.703 -99.200 -91.000 TRP 112 1.040 14.106 -3.175 13.899 -99.200 -91.000 TRP6 112 1.020 16.264 -2.273 13.699 -99.200 -91.000 PHE 116 1.000 11.408 -7.080 7.808 -99.200 -91.000 PHE 122 1.000 8.598 -13.623 14.853 -99.200 -91.000 PHE 123 1.000 14.477 -10.592 10.928 -99.200 -91.000 TRP 142 1.040 2.177 8.210 13.922 -99.200 -91.000 TRP6 142 1.020 3.468 7.310 15.681 -99.200 -91.000 PHE 162 1.000 10.286 5.031 12.630 -99.200 -91.000 HIS 164 0.900 18.181 13.724 9.658 -99.200 -91.000 TYR 178 0.840 -3.504 10.686 19.657 -99.200 -91.000 HIS 188 0.900 27.066 1.523 22.085 -99.200 -91.000 TYR 190 0.840 33.334 1.319 22.759 -99.200 -91.000 TYR 199 0.840 14.824 16.033 13.919 -99.200 -91.000 TYR 210 0.840 18.535 -0.516 20.239 -99.200 -91.000 TRP 220 1.040 25.114 -9.134 15.818 -99.200 -91.000 TRP6 220 1.020 22.775 -9.308 16.132 -99.200 -91.000 HIS 241 0.900 32.228 9.078 39.745 -99.200 -91.000 PHE 252 1.000 27.644 8.403 28.107 -99.200 -91.000 PHE 274 1.000 15.784 0.493 40.464 -99.200 -91.000 PHE 277 1.000 17.574 5.456 39.909 -99.200 -91.000 PHE 279 1.000 27.347 6.587 39.607 -99.200 -91.000 TYR 292 0.840 36.313 7.002 26.392 -99.200 -91.000 TRP 296 1.040 30.793 -1.883 17.157 -99.200 -91.000 TRP6 296 1.020 29.790 -2.737 19.104 -99.200 -91.000 HIS 307 0.900 11.972 -2.108 3.837 -99.200 -91.000 TYR 310 0.840 19.460 -1.322 7.266 -99.200 -91.000 PHE 312 1.000 20.296 1.710 12.010 -99.200 -91.000 HIS 313 0.900 21.610 1.884 3.466 -99.200 -91.000 PHE 316 1.000 21.177 13.832 12.011 -99.200 -91.000