============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 8 0.840 -22.143 -1.605 -44.953 -99.200 -91.000 HIS 13 0.900 -28.375 -2.603 -38.322 -99.200 -91.000 TYR 21 0.840 -26.329 9.423 -49.111 -99.200 -91.000 TRP 33 1.040 -26.914 11.121 -61.695 -99.200 -91.000 TRP6 33 1.020 -24.850 9.983 -61.939 -99.200 -91.000 HIS 39 0.900 -25.550 5.125 -67.752 -99.200 -91.000 HIS 57 0.900 -26.230 -9.448 -62.487 -99.200 -91.000 PHE 69 1.000 -15.324 1.727 -44.491 -99.200 -91.000 HIS 70 0.900 -20.133 -6.816 -47.974 -99.200 -91.000 TYR 73 0.840 -11.899 -9.600 -50.834 -99.200 -91.000 HIS 97 0.900 -11.352 -2.977 -52.767 -99.200 -91.000 TYR 102 0.840 -4.575 -10.542 -64.702 -99.200 -91.000 HIS 126 0.900 -11.811 4.971 -34.651 -99.200 -91.000 PHE 138 1.000 -15.792 6.100 -22.465 -99.200 -91.000 HIS 142 0.900 -20.387 3.451 -21.034 -99.200 -91.000 HIS 148 0.900 -27.139 -1.650 -12.734 -99.200 -91.000 TRP 150 1.040 -18.872 5.838 -7.688 -99.200 -91.000 TRP6 150 1.020 -19.890 7.379 -9.174 -99.200 -91.000 TYR 160 0.840 -0.849 7.739 -16.588 -99.200 -91.000 TYR 177 0.840 0.144 18.586 -41.263 -99.200 -91.000 PHE 186 1.000 -6.904 17.325 -27.294 -99.200 -91.000 TYR 193 0.840 7.633 14.534 -39.628 -99.200 -91.000 TYR 194 0.840 10.357 6.039 -39.615 -99.200 -91.000 TYR 196 0.840 8.808 4.884 -45.647 -99.200 -91.000 HIS 232 0.900 6.084 0.303 -47.638 -99.200 -91.000 PHE 247 1.000 5.910 0.880 -29.587 -99.200 -91.000 TRP 252 1.040 -2.000 4.735 -22.982 -99.200 -91.000 TRP6 252 1.020 -0.739 6.411 -21.872 -99.200 -91.000 TYR 279 0.840 -3.341 -2.171 -31.194 -99.200 -91.000 TRP 284 1.040 -10.226 -5.271 -36.343 -99.200 -91.000 TRP6 284 1.020 -10.250 -6.500 -34.321 -99.200 -91.000 PHE 285 1.000 -4.484 -10.397 -43.154 -99.200 -91.000 HIS 293 0.900 -7.358 -10.235 -34.849 -99.200 -91.000 TRP 295 1.040 -4.634 -7.320 -32.149 -99.200 -91.000 TRP6 295 1.020 -4.303 -5.932 -34.030 -99.200 -91.000 TYR 302 0.840 -3.872 -1.924 -13.315 -99.200 -91.000 HIS 311 0.900 -11.780 -0.335 -42.056 -99.200 -91.000 TYR 312 0.840 -16.936 2.967 -35.961 -99.200 -91.000 TYR 323 0.840 -16.336 7.334 -48.028 -99.200 -91.000 PHE 334 1.000 -16.688 4.804 -68.055 -99.200 -91.000 PHE 335 1.000 -22.294 6.704 -66.289 -99.200 -91.000 PHE 339 1.000 -13.007 8.705 -70.771 -99.200 -91.000 TYR 341 0.840 -11.835 9.422 -64.745 -99.200 -91.000 TYR 353 0.840 0.423 0.514 -61.030 -99.200 -91.000