============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 13 1.000 -40.050 -51.556 -33.373 -99.200 -91.000 HIS 20 0.900 -46.578 -43.099 -8.710 -99.200 -91.000 TRP 21 1.040 -44.256 -43.500 -4.695 -99.200 -91.000 TRP6 21 1.020 -41.913 -43.172 -4.823 -99.200 -91.000 HIS 25 0.900 -42.285 -29.979 -2.027 -99.200 -91.000 TYR 32 0.840 -34.037 -21.950 -10.555 -99.200 -91.000 TYR 35 0.840 -39.114 -24.902 -13.732 -99.200 -91.000 PHE 42 1.000 -36.716 -31.557 -12.971 -99.200 -91.000 PHE 63 1.000 -38.589 -57.592 -24.895 -99.200 -91.000 TYR 74 0.840 -30.214 -39.349 -35.808 -99.200 -91.000 HIS 79 0.900 -22.465 -43.546 -33.935 -99.200 -91.000 PHE 83 1.000 -20.256 -49.424 -34.577 -99.200 -91.000 TRP 96 1.040 -20.456 -51.986 -23.578 -99.200 -91.000 TRP6 96 1.020 -18.713 -50.525 -22.916 -99.200 -91.000 TYR 99 0.840 -16.763 -45.805 -23.816 -99.200 -91.000 TYR 104 0.840 -18.772 -38.318 -32.893 -99.200 -91.000 TYR 105 0.840 -22.845 -39.117 -30.573 -99.200 -91.000 TRP 123 1.040 -25.193 -59.450 -21.758 -99.200 -91.000 TRP6 123 1.020 -24.051 -61.418 -21.088 -99.200 -91.000 HIS 135 0.900 -30.559 -67.368 -13.044 -99.200 -91.000 PHE 148 1.000 -36.425 -58.033 -4.602 -99.200 -91.000 TYR 149 0.840 -33.118 -50.684 -1.036 -99.200 -91.000 PHE 162 1.000 -40.912 -55.027 -0.545 -99.200 -91.000 HIS 169 0.900 -41.505 -36.047 0.287 -99.200 -91.000 HIS 170 0.900 -40.104 -30.245 2.702 -99.200 -91.000 PHE 196 1.000 -38.536 -51.742 7.494 -99.200 -91.000 TRP 197 1.040 -31.436 -52.702 7.406 -99.200 -91.000 TRP6 197 1.020 -30.519 -53.804 5.524 -99.200 -91.000 PHE 199 1.000 -34.750 -38.824 4.867 -99.200 -91.000 TRP 202 1.040 -33.539 -37.987 -8.767 -99.200 -91.000 TRP6 202 1.020 -33.676 -36.256 -10.368 -99.200 -91.000 TYR 208 0.840 -30.609 -29.329 3.910 -99.200 -91.000 TYR 219 0.840 -35.499 -38.929 14.569 -99.200 -91.000 TRP 223 1.040 -28.672 -46.138 1.562 -99.200 -91.000 TRP6 223 1.020 -28.910 -48.489 1.549 -99.200 -91.000 TYR 233 0.840 -16.568 -37.940 -9.835 -99.200 -91.000 TRP 234 1.040 -12.613 -32.920 -6.236 -99.200 -91.000 TRP6 234 1.020 -13.817 -32.648 -8.254 -99.200 -91.000 TYR 236 0.840 -21.894 -37.977 -3.901 -99.200 -91.000 HIS 252 0.900 -29.170 -39.951 -11.787 -99.200 -91.000 TRP 257 1.040 -11.877 -46.064 -17.829 -99.200 -91.000 TRP6 257 1.020 -13.054 -46.635 -19.802 -99.200 -91.000 PHE 259 1.000 -20.470 -46.673 -11.135 -99.200 -91.000 TRP 275 1.040 -28.166 -42.696 -16.445 -99.200 -91.000 TRP6 275 1.020 -26.150 -41.441 -16.408 -99.200 -91.000 HIS 292 0.900 -11.408 -49.989 -5.338 -99.200 -91.000 HIS 299 0.900 -32.877 -46.952 -10.370 -99.200 -91.000 TYR 304 0.840 -34.628 -55.333 -18.853 -99.200 -91.000 TYR 306 0.840 -36.211 -57.922 -9.982 -99.200 -91.000 HIS 307 0.900 -32.805 -63.212 -15.237 -99.200 -91.000 PHE 308 1.000 -24.349 -57.511 -12.922 -99.200 -91.000 PHE 317 1.000 -28.553 -54.355 1.075 -99.200 -91.000 PHE 320 1.000 -41.026 -54.088 -6.197 -99.200 -91.000 PHE 331 1.000 -38.835 -51.562 -16.173 -99.200 -91.000 HIS 332 0.900 -49.455 -53.892 -15.907 -99.200 -91.000 PHE 355 1.000 -31.862 -59.255 -19.260 -99.200 -91.000 HIS 366 0.900 -43.002 -43.335 -34.061 -99.200 -91.000 TYR 369 0.840 -35.027 -41.109 -36.058 -99.200 -91.000 HIS 371 0.900 -30.574 -50.074 -39.562 -99.200 -91.000