============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 10 0.840 -18.790 3.706 -15.807 -99.200 -91.000 HIS 13 0.900 -16.446 15.924 -13.894 -99.200 -91.000 HIS 25 0.900 -27.761 15.609 -16.320 -99.200 -91.000 PHE 26 1.000 -24.263 11.902 -9.452 -99.200 -91.000 TYR 43 0.840 -37.032 -1.406 -16.374 -99.200 -91.000 PHE 50 1.000 -39.172 16.042 -20.035 -99.200 -91.000 HIS 57 0.900 -37.031 8.226 -25.532 -99.200 -91.000 HIS 61 0.900 -36.047 20.265 -17.114 -99.200 -91.000 HIS 74 0.900 -33.642 -2.810 -16.454 -99.200 -91.000 TYR 81 0.840 -23.079 9.599 -21.692 -99.200 -91.000 TRP 86 1.040 -14.876 9.914 -6.808 -99.200 -91.000 TRP6 86 1.020 -17.206 10.117 -7.193 -99.200 -91.000 TYR 111 0.840 -24.717 -12.198 -2.253 -99.200 -91.000 PHE 117 1.000 -13.930 -10.593 -13.212 -99.200 -91.000 PHE 138 1.000 -9.395 -0.725 -2.831 -99.200 -91.000 HIS 140 0.900 -7.073 -2.270 7.294 -99.200 -91.000 TRP 142 1.040 -11.534 -1.762 8.001 -99.200 -91.000 TRP6 142 1.020 -10.458 0.276 8.607 -99.200 -91.000 PHE 146 1.000 -18.295 -3.819 11.605 -99.200 -91.000 TRP 153 1.040 -25.943 -4.279 16.803 -99.200 -91.000 TRP6 153 1.020 -25.010 -4.431 18.979 -99.200 -91.000 PHE 159 1.000 -40.371 -0.335 14.279 -99.200 -91.000 PHE 174 1.000 -42.045 7.029 5.372 -99.200 -91.000 TRP 181 1.040 -36.924 6.164 0.926 -99.200 -91.000 TRP6 181 1.020 -39.059 7.111 0.494 -99.200 -91.000 TYR 184 0.840 -40.366 9.302 -4.975 -99.200 -91.000 TYR 188 0.840 -40.446 13.907 -7.160 -99.200 -91.000 TYR 189 0.840 -44.760 11.974 -1.792 -99.200 -91.000 HIS 195 0.900 -44.272 9.720 8.921 -99.200 -91.000 PHE 196 1.000 -36.360 9.427 4.399 -99.200 -91.000 TYR 213 0.840 -14.029 0.418 16.098 -99.200 -91.000 TYR 220 0.840 -4.248 2.497 9.229 -99.200 -91.000 TYR 226 0.840 -9.239 7.882 -2.023 -99.200 -91.000 TYR 238 0.840 -28.012 13.061 -4.491 -99.200 -91.000 TYR 264 0.840 -11.432 -0.141 -16.879 -99.200 -91.000 PHE 273 1.000 -13.817 -12.109 -8.913 -99.200 -91.000 PHE 295 1.000 -29.020 -3.855 5.803 -99.200 -91.000 PHE 308 1.000 -30.855 -4.945 17.268 -99.200 -91.000 TYR 310 0.840 -39.897 -12.407 18.479 -99.200 -91.000 TRP 321 1.040 -32.210 -16.951 13.730 -99.200 -91.000 TRP6 321 1.020 -32.279 -15.127 15.242 -99.200 -91.000 PHE 323 1.000 -38.830 -12.430 11.419 -99.200 -91.000 HIS 350 0.900 -39.681 -5.027 -5.441 -99.200 -91.000 PHE 355 1.000 -39.766 4.310 -3.707 -99.200 -91.000 TYR 369 0.840 -48.411 -0.803 5.379 -99.200 -91.000 HIS 370 0.900 -47.348 -0.634 14.085 -99.200 -91.000 PHE 371 1.000 -38.562 -0.179 10.169 -99.200 -91.000 TYR 374 0.840 -41.050 4.142 1.386 -99.200 -91.000