============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TRP 17 1.040 10.800 -11.592 -20.359 -99.200 -91.000 TRP6 17 1.020 10.517 -10.953 -22.632 -99.200 -91.000 TYR 26 0.840 -6.722 -9.479 -29.843 -99.200 -91.000 PHE 30 1.000 -9.424 -10.900 -32.620 -99.200 -91.000 TYR 45 0.840 15.900 -24.945 -23.970 -99.200 -91.000 PHE 54 1.000 22.354 -12.902 -38.123 -99.200 -91.000 PHE 64 1.000 18.263 -11.593 -52.569 -99.200 -91.000 TYR 68 0.840 12.908 -9.191 -55.729 -99.200 -91.000 TYR 81 0.840 10.883 -12.254 -70.081 -99.200 -91.000 HIS 83 0.900 4.319 -3.047 -68.624 -99.200 -91.000 PHE 96 1.000 -3.759 -11.236 -54.814 -99.200 -91.000 TRP 101 1.040 -1.291 -5.545 -65.717 -99.200 -91.000 TRP6 101 1.020 0.911 -4.792 -65.282 -99.200 -91.000 TYR 104 0.840 1.345 -0.050 -63.039 -99.200 -91.000 TYR 113 0.840 -3.875 13.805 -57.721 -99.200 -91.000 PHE 118 1.000 10.856 10.338 -53.697 -99.200 -91.000 PHE 123 1.000 11.136 -4.847 -51.000 -99.200 -91.000 TYR 127 0.840 18.310 -15.556 -47.329 -99.200 -91.000 PHE 143 1.000 13.260 -9.546 -51.586 -99.200 -91.000 PHE 150 1.000 5.066 -13.676 -37.411 -99.200 -91.000 HIS 161 0.900 14.151 -18.057 -27.070 -99.200 -91.000 TYR 163 0.840 14.297 -12.232 -17.489 -99.200 -91.000 TYR 170 0.840 17.262 -20.408 -21.987 -99.200 -91.000 TYR 177 0.840 21.843 -21.013 -25.331 -99.200 -91.000 TYR 189 0.840 15.108 2.559 -33.910 -99.200 -91.000 TYR 202 0.840 2.832 13.435 -47.782 -99.200 -91.000 PHE 212 1.000 0.993 0.929 -38.565 -99.200 -91.000 PHE 222 1.000 -2.278 -8.011 -28.930 -99.200 -91.000 PHE 235 1.000 12.072 6.872 -35.808 -99.200 -91.000 PHE 244 1.000 -8.184 -3.180 -48.513 -99.200 -91.000 PHE 252 1.000 -10.977 14.969 -47.442 -99.200 -91.000 PHE 261 1.000 -5.712 16.364 -46.521 -99.200 -91.000 TYR 273 0.840 3.517 -1.064 -42.391 -99.200 -91.000 TYR 274 0.840 -1.460 -0.879 -49.249 -99.200 -91.000 TYR 278 0.840 -1.438 -10.753 -46.551 -99.200 -91.000 TYR 283 0.840 -7.317 -6.805 -52.244 -99.200 -91.000 TRP 289 1.040 -10.449 -6.540 -55.644 -99.200 -91.000 TRP6 289 1.020 -8.125 -6.993 -55.825 -99.200 -91.000 PHE 294 1.000 -9.621 7.339 -51.444 -99.200 -91.000 PHE 299 1.000 2.194 14.204 -53.475 -99.200 -91.000 TYR 329 0.840 15.896 -6.299 -63.937 -99.200 -91.000 PHE 343 1.000 18.929 -15.913 -57.032 -99.200 -91.000 TYR 347 0.840 14.895 -26.420 -63.850 -99.200 -91.000 TYR 369 0.840 13.691 -30.700 -59.295 -99.200 -91.000 TYR 381 0.840 6.911 -29.554 -49.741 -99.200 -91.000 PHE 388 1.000 -1.100 -30.278 -58.028 -99.200 -91.000 HIS 396 0.900 -5.545 -25.120 -67.461 -99.200 -91.000 TRP 397 1.040 0.976 -29.849 -65.945 -99.200 -91.000 TRP6 397 1.020 2.518 -31.455 -66.731 -99.200 -91.000 TYR 400 0.840 0.377 -25.502 -59.872 -99.200 -91.000 TYR 423 0.840 2.745 -29.145 -29.113 -99.200 -91.000 TYR 434 0.840 11.558 -8.592 -40.483 -99.200 -91.000 PHE 439 1.000 11.425 1.213 -55.057 -99.200 -91.000 PHE 449 1.000 20.186 -6.380 -40.726 -99.200 -91.000 PHE 458 1.000 5.301 -29.525 -33.921 -99.200 -91.000 PHE 470 1.000 2.320 -25.666 -32.791 -99.200 -91.000 TYR 479 0.840 26.676 -23.694 -35.426 -99.200 -91.000