============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 1 1.000 -5.274 -27.447 -43.338 -99.200 -91.000 HIS 17 0.900 32.274 -0.028 -36.593 -99.200 -91.000 HIS 28 0.900 27.464 3.590 -24.440 -99.200 -91.000 PHE 31 1.000 35.237 -1.856 -32.716 -99.200 -91.000 PHE 32 1.000 26.344 -2.000 -30.985 -99.200 -91.000 HIS 45 0.900 8.237 -20.769 -42.963 -99.200 -91.000 TYR 76 0.840 5.304 -20.254 -28.149 -99.200 -91.000 PHE 87 1.000 21.168 -23.791 -19.961 -99.200 -91.000 HIS 93 0.900 19.961 -10.122 -20.803 -99.200 -91.000 HIS 109 0.900 2.764 -23.713 -39.084 -99.200 -91.000 TYR 132 0.840 18.351 7.074 -24.049 -99.200 -91.000 PHE 134 1.000 23.155 7.786 -24.453 -99.200 -91.000 PHE 135 1.000 25.446 16.005 -21.080 -99.200 -91.000 TYR 146 0.840 35.274 6.035 -28.867 -99.200 -91.000 TRP 156 1.040 21.596 11.027 -36.172 -99.200 -91.000 TRP6 156 1.020 21.802 11.535 -33.852 -99.200 -91.000 TYR 157 0.840 22.935 9.245 -41.157 -99.200 -91.000 HIS 161 0.900 29.866 8.957 -35.883 -99.200 -91.000 TYR 178 0.840 11.637 18.068 -35.530 -99.200 -91.000 TYR 181 0.840 17.078 9.070 -37.200 -99.200 -91.000 PHE 183 1.000 13.673 10.288 -32.558 -99.200 -91.000 PHE 186 1.000 14.215 15.179 -29.488 -99.200 -91.000 PHE 209 1.000 13.678 20.192 -30.542 -99.200 -91.000 TRP 222 1.040 21.249 13.772 -9.938 -99.200 -91.000 TRP6 222 1.020 19.489 14.636 -11.240 -99.200 -91.000 TYR 233 0.840 16.274 24.885 -12.630 -99.200 -91.000 TYR 240 0.840 9.497 9.771 -18.659 -99.200 -91.000 PHE 251 1.000 14.442 5.256 4.871 -99.200 -91.000 PHE 260 1.000 11.955 12.784 -7.910 -99.200 -91.000 TRP 277 1.040 6.865 -10.635 -13.325 -99.200 -91.000 TRP6 277 1.020 5.142 -9.118 -13.825 -99.200 -91.000 HIS 282 0.900 8.485 -5.999 -1.744 -99.200 -91.000 HIS 297 0.900 16.304 -6.472 -26.298 -99.200 -91.000 PHE 298 1.000 18.545 -6.201 -19.366 -99.200 -91.000 TRP 299 1.040 10.981 -6.622 -17.324 -99.200 -91.000 TRP6 299 1.020 9.640 -7.166 -15.433 -99.200 -91.000 HIS 312 0.900 -5.318 -0.406 -20.738 -99.200 -91.000 PHE 314 1.000 -2.647 -3.798 -11.167 -99.200 -91.000 TRP 318 1.040 5.385 -1.657 -21.282 -99.200 -91.000 TRP6 318 1.020 5.929 -1.334 -23.562 -99.200 -91.000 HIS 321 0.900 15.960 -1.044 -19.993 -99.200 -91.000 HIS 325 0.900 18.282 -1.274 -30.604 -99.200 -91.000 PHE 326 1.000 24.570 -4.714 -34.843 -99.200 -91.000 PHE 333 1.000 13.425 -1.599 -29.511 -99.200 -91.000 HIS 335 0.900 6.446 -7.438 -34.900 -99.200 -91.000 HIS 350 0.900 20.860 2.993 -26.284 -99.200 -91.000 TRP 351 1.040 17.723 2.005 -35.982 -99.200 -91.000 TRP6 351 1.020 19.406 0.396 -36.481 -99.200 -91.000 TRP 353 1.040 22.826 7.367 -29.918 -99.200 -91.000 TRP6 353 1.020 24.135 9.320 -29.936 -99.200 -91.000 PHE 365 1.000 10.635 -3.713 -38.551 -99.200 -91.000 HIS 393 0.900 31.518 -14.598 -35.565 -99.200 -91.000 TYR 396 0.840 32.220 -11.139 -29.924 -99.200 -91.000 HIS 399 0.900 38.410 -4.708 -33.543 -99.200 -91.000 TYR 412 0.840 42.418 5.555 -23.327 -99.200 -91.000 TRP 417 1.040 35.549 7.426 -13.818 -99.200 -91.000 TRP6 417 1.020 34.197 5.541 -14.289 -99.200 -91.000 PHE 419 1.000 29.217 2.344 -11.344 -99.200 -91.000