============================================================================= 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. TYR 4 0.840 13.241 -73.806 -19.678 -99.200 -91.000 TRP 20 1.040 15.225 -59.327 -26.703 -99.200 -91.000 TRP6 20 1.020 17.061 -57.879 -27.035 -99.200 -91.000 HIS 26 0.900 24.635 -61.855 -22.183 -99.200 -91.000 HIS 38 0.900 -6.636 -57.652 -24.526 -99.200 -91.000 HIS 39 0.900 -5.449 -53.707 -22.892 -99.200 -91.000 HIS 43 0.900 -5.130 -63.316 -14.116 -99.200 -91.000 TYR 44 0.840 -7.565 -55.382 -13.476 -99.200 -91.000 TYR 68 0.840 -5.727 -32.720 -26.055 -99.200 -91.000 PHE 78 1.000 -2.443 -17.171 -25.897 -99.200 -91.000 TRP 80 1.040 -7.100 -20.215 -31.161 -99.200 -91.000 TRP6 80 1.020 -7.316 -21.073 -33.355 -99.200 -91.000 TRP 91 1.040 -14.018 -43.241 -18.817 -99.200 -91.000 TRP6 91 1.020 -12.160 -42.549 -17.515 -99.200 -91.000 TYR 109 0.840 5.345 -57.142 -25.247 -99.200 -91.000 PHE 113 1.000 8.441 -63.441 -25.613 -99.200 -91.000 PHE 121 1.000 3.613 -65.462 -22.080 -99.200 -91.000 HIS 122 0.900 7.669 -71.365 -20.910 -99.200 -91.000 PHE 125 1.000 -2.098 -66.584 -11.225 -99.200 -91.000 HIS 132 0.900 19.220 -75.292 -8.883 -99.200 -91.000 TYR 154 0.840 22.574 -68.466 -12.650 -99.200 -91.000 TRP 162 1.040 -2.705 -56.693 -6.460 -99.200 -91.000 TRP6 162 1.020 -3.013 -57.079 -8.765 -99.200 -91.000 HIS 165 0.900 -7.565 -53.731 -2.430 -99.200 -91.000 PHE 181 1.000 -4.648 -47.356 -15.991 -99.200 -91.000 TYR 182 0.840 -8.756 -52.255 -18.468 -99.200 -91.000 TYR 197 0.840 3.680 -42.547 -8.852 -99.200 -91.000 PHE 202 1.000 -5.857 -43.475 -12.482 -99.200 -91.000 PHE 206 1.000 -10.997 -41.235 -11.847 -99.200 -91.000 TYR 209 0.840 -11.170 -37.430 -20.382 -99.200 -91.000 TYR 220 0.840 -1.186 -37.867 2.735 -99.200 -91.000 PHE 229 1.000 7.595 -36.688 -5.411 -99.200 -91.000 HIS 251 0.900 -3.669 -33.666 8.880 -99.200 -91.000 HIS 266 0.900 -22.729 -41.993 3.405 -99.200 -91.000 PHE 269 1.000 -13.928 -38.861 3.725 -99.200 -91.000 TYR 277 0.840 -16.717 -38.956 -2.328 -99.200 -91.000 TYR 313 0.840 27.430 -56.572 -7.335 -99.200 -91.000 TYR 322 0.840 21.499 -63.047 -8.934 -99.200 -91.000 PHE 344 1.000 19.629 -62.016 -13.377 -99.200 -91.000 PHE 349 1.000 22.433 -65.958 -17.264 -99.200 -91.000 HIS 358 0.900 19.162 -49.377 -6.947 -99.200 -91.000 PHE 366 1.000 4.624 -37.989 -16.656 -99.200 -91.000 TYR 376 0.840 20.854 -36.343 -0.787 -99.200 -91.000 TYR 385 0.840 25.888 -33.266 1.364 -99.200 -91.000 TYR 391 0.840 21.890 -21.332 -5.146 -99.200 -91.000 PHE 395 1.000 9.319 -19.049 -14.636 -99.200 -91.000 HIS 400 0.900 -0.420 -20.858 -18.512 -99.200 -91.000 TYR 407 0.840 -4.906 -22.453 -12.274 -99.200 -91.000 PHE 410 1.000 8.717 -24.289 -14.941 -99.200 -91.000 HIS 418 0.900 27.343 -21.334 0.320 -99.200 -91.000 HIS 427 0.900 14.061 -31.245 -5.376 -99.200 -91.000 PHE 453 1.000 22.135 -27.220 -12.794 -99.200 -91.000 TYR 454 0.840 26.555 -19.480 -11.326 -99.200 -91.000 HIS 460 0.900 14.033 -14.702 -23.508 -99.200 -91.000 TYR 475 0.840