============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. HIS 1 0.900 13.832 -8.975 28.472 -99.200 -91.000 TYR 4 0.840 15.389 -0.493 22.033 -99.200 -91.000 HIS 7 0.900 17.116 3.317 25.085 -99.200 -91.000 TYR 10 0.840 12.491 13.314 25.599 -99.200 -91.000 HIS 24 0.900 18.411 16.016 9.703 -99.200 -91.000 PHE 26 1.000 21.278 17.752 20.495 -99.200 -91.000 TRP 35 1.040 11.150 5.930 16.566 -99.200 -91.000 TRP6 35 1.020 9.560 5.394 18.232 -99.200 -91.000 PHE 51 1.000 23.204 5.206 31.330 -99.200 -91.000 PHE 56 1.000 16.130 15.160 22.576 -99.200 -91.000 PHE 59 1.000 20.934 21.717 20.490 -99.200 -91.000 TYR 67 0.840 12.002 19.427 26.102 -99.200 -91.000 PHE 101 1.000 -4.076 -11.400 4.641 -99.200 -91.000 HIS 105 0.900 1.700 -14.890 8.943 -99.200 -91.000 TYR 107 0.840 14.127 -15.751 5.970 -99.200 -91.000 TYR 113 0.840 1.793 -17.704 1.557 -99.200 -91.000 PHE 121 1.000 -2.844 -21.435 -5.964 -99.200 -91.000 PHE 134 1.000 27.744 -9.465 6.338 -99.200 -91.000 TYR 141 0.840 12.494 -12.173 -7.482 -99.200 -91.000 PHE 149 1.000 7.314 -11.621 -14.846 -99.200 -91.000 HIS 164 0.900 14.504 1.958 6.356 -99.200 -91.000 TRP 168 1.040 8.361 -6.327 12.856 -99.200 -91.000 TRP6 168 1.020 7.919 -7.535 14.840 -99.200 -91.000 TYR 176 0.840 -5.925 -7.960 1.330 -99.200 -91.000 HIS 179 0.900 -6.298 -13.419 0.311 -99.200 -91.000 TRP 196 1.040 0.595 -8.087 -10.865 -99.200 -91.000 TRP6 196 1.020 -0.090 -6.155 -9.709 -99.200 -91.000 TYR 207 0.840 10.170 -9.766 9.595 -99.200 -91.000 HIS 209 0.900 19.463 -7.943 15.981 -99.200 -91.000 PHE 211 1.000 9.138 -12.026 14.013 -99.200 -91.000 TYR 216 0.840 11.133 0.548 19.038 -99.200 -91.000 TRP 217 1.040 19.243 -3.806 13.096 -99.200 -91.000 TRP6 217 1.020 21.148 -2.853 14.122 -99.200 -91.000 TYR 225 0.840 30.287 -1.358 6.483 -99.200 -91.000 PHE 240 1.000 18.261 0.466 -3.306 -99.200 -91.000 TRP 244 1.040 25.960 5.381 -1.430 -99.200 -91.000 TRP6 244 1.020 28.223 5.871 -0.952 -99.200 -91.000 PHE 257 1.000 28.248 3.307 7.233 -99.200 -91.000 HIS 258 0.900 27.648 6.877 3.250 -99.200 -91.000 PHE 263 1.000 22.650 -0.324 -6.244 -99.200 -91.000 HIS 278 0.900 12.190 -8.904 -14.475 -99.200 -91.000 TYR 285 0.840 11.057 -0.047 -6.777 -99.200 -91.000 HIS 289 0.900 10.687 2.312 3.284 -99.200 -91.000 PHE 291 1.000 5.927 6.537 12.708 -99.200 -91.000 TYR 297 0.840 5.792 13.119 -6.404 -99.200 -91.000 TYR 299 0.840 14.870 11.178 -9.522 -99.200 -91.000 HIS 312 0.900 0.925 15.897 -5.991 -99.200 -91.000 TRP 327 1.040 -9.437 0.662 11.158 -99.200 -91.000 TRP6 327 1.020 -10.956 -0.495 9.790 -99.200 -91.000 TYR 332 0.840 -1.770 6.715 2.734 -99.200 -91.000 PHE 338 1.000 14.862 19.428 -0.083 -99.200 -91.000 HIS 339 0.900 9.682 20.295 -2.593 -99.200 -91.000 TYR 342 0.840 16.323 17.821 6.698 -99.200 -91.000 TYR 351 0.840 19.416 1.784 -9.302 -99.200 -91.000 PHE 359 1.000 3.811 6.935 -14.578 -99.200 -91.000 TYR 361 0.840 3.936 7.197 -7.263 -99.200 -91.000 TYR 363 0.840 1.683 3.148 -1.560 -99.200 -91.000 TYR 368 0.840 -5.220 0.608 15.020 -99.200 -91.000 TRP 373 1.040 0.765 1.023 19.788 -99.200 -91.000 TRP6 373 1.020 1.096 -1.176 20.593 -99.200 -91.000 PHE 374 1.000 -0.412 8.367 22.623 -99.200 -91.000 PHE 377 1.000 9.176 2.809 13.220 -99.200 -91.000 PHE 383 1.000 -3.933 -0.337 10.435 -99.200 -91.000 PHE 389 1.000 -10.598 -3.678 1.968 -99.200 -91.000 TRP 392 1.040 -5.569 -5.531 -3.715 -99.200 -91.000 TRP6 392 1.020 -3.659 -5.836 -5.076 -99.200 -91.000