============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. HIS 6 0.900 28.044 -36.989 -24.527 -99.200 -91.000 TYR 30 0.840 44.550 -0.537 -5.673 -99.200 -91.000 HIS 34 0.900 46.181 -11.752 -6.302 -99.200 -91.000 PHE 40 1.000 35.773 -25.267 -4.802 -99.200 -91.000 HIS 44 0.900 38.575 -27.320 -6.764 -99.200 -91.000 HIS 50 0.900 38.249 -32.163 -13.731 -99.200 -91.000 PHE 51 1.000 40.510 -21.794 -14.430 -99.200 -91.000 HIS 57 0.900 35.082 -7.917 -22.975 -99.200 -91.000 HIS 76 0.900 22.558 -14.242 -14.319 -99.200 -91.000 TYR 102 0.840 13.531 8.940 -33.989 -99.200 -91.000 TYR 107 0.840 8.954 9.394 -32.170 -99.200 -91.000 TYR 109 0.840 0.444 5.011 -26.824 -99.200 -91.000 HIS 111 0.900 4.055 12.957 -33.910 -99.200 -91.000 PHE 114 1.000 6.372 13.516 -29.211 -99.200 -91.000 HIS 122 0.900 6.632 15.123 -18.083 -99.200 -91.000 HIS 133 0.900 20.033 -1.005 -15.563 -99.200 -91.000 TYR 140 0.840 22.519 13.706 -24.062 -99.200 -91.000 HIS 145 0.900 13.421 12.027 -35.544 -99.200 -91.000 HIS 157 0.900 10.408 14.043 -14.821 -99.200 -91.000 TYR 160 0.840 21.941 13.343 -11.543 -99.200 -91.000 PHE 171 1.000 28.853 17.657 -9.279 -99.200 -91.000 PHE 173 1.000 27.488 10.766 -17.454 -99.200 -91.000 PHE 201 1.000 16.754 7.672 -0.746 -99.200 -91.000 TYR 207 0.840 15.083 -9.031 -10.115 -99.200 -91.000 TRP 211 1.040 7.131 -2.554 -5.036 -99.200 -91.000 TRP6 211 1.020 6.210 -1.677 -7.029 -99.200 -91.000 TRP 218 1.040 3.452 8.471 -8.419 -99.200 -91.000 TRP6 218 1.020 2.790 7.637 -10.524 -99.200 -91.000 HIS 228 0.900 9.937 23.235 -3.987 -99.200 -91.000 PHE 229 1.000 18.363 21.193 -4.151 -99.200 -91.000 HIS 230 0.900 15.653 28.684 -7.206 -99.200 -91.000 PHE 239 1.000 20.240 16.299 -3.100 -99.200 -91.000 TYR 250 0.840 22.756 4.391 -2.094 -99.200 -91.000 TYR 251 0.840 23.961 13.113 -6.491 -99.200 -91.000 PHE 254 1.000 17.503 17.002 -8.466 -99.200 -91.000 PHE 278 1.000 19.797 -0.269 -23.237 -99.200 -91.000 PHE 290 1.000 4.595 7.060 -14.949 -99.200 -91.000 PHE 295 1.000 1.310 0.840 -8.029 -99.200 -91.000 PHE 298 1.000 4.006 4.215 -5.332 -99.200 -91.000 TYR 308 0.840 5.545 4.139 -18.965 -99.200 -91.000 TYR 314 0.840 10.991 -1.535 -19.794 -99.200 -91.000 PHE 324 1.000 7.099 -3.281 -27.504 -99.200 -91.000 TYR 338 0.840 16.397 -27.460 -27.219 -99.200 -91.000 PHE 347 1.000 15.919 -25.250 -5.091 -99.200 -91.000 PHE 355 1.000 13.138 -15.702 -7.366 -99.200 -91.000 HIS 357 0.900 19.944 -10.150 -12.235 -99.200 -91.000 TYR 360 0.840 13.403 -10.207 -16.428 -99.200 -91.000 PHE 361 1.000 17.983 -9.875 -16.293 -99.200 -91.000 TRP 362 1.040 19.277 -20.253 -16.890 -99.200 -91.000 TRP6 362 1.020 21.587 -20.178 -16.371 -99.200 -91.000 HIS 374 0.900 8.803 -31.603 -16.220 -99.200 -91.000 PHE 377 1.000 11.701 -20.550 -11.293 -99.200 -91.000 PHE 387 1.000 22.727 -5.792 -0.788 -99.200 -91.000 TYR 411 0.840 14.239 -29.826 -7.017 -99.200 -91.000 PHE 418 1.000 26.611 -18.972 -3.480 -99.200 -91.000 HIS 426 0.900 27.527 -2.996 -9.595 -99.200 -91.000 TYR 458 0.840 32.469 -28.756 -8.648 -99.200 -91.000 HIS 464 0.900 28.567 -8.927 -14.090 -99.200 -91.000 HIS 493 0.900 28.456 -5.196 -14.257 -99.200 -91.000 PHE 501 1.000 36.957 -22.307 -10.686 -99.200 -91.000 PHE 529 1.000 23.447 -25.452 -18.560 -99.200 -91.000 PHE 535 1.000 19.502 -35.499 -21.234 -99.200 -91.000 TYR 541 0.840 21.357 -24.434 -27.058 -99.200 -91.000 TYR 547 0.840 38.957 -33.724 -25.197 -99.200 -91.000