============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 10 0.900 -62.177 17.929 53.955 -99.200 -91.000 HIS 13 0.900 -66.809 12.555 54.329 -99.200 -91.000 TYR 27 0.840 -60.255 21.460 45.610 -99.200 -91.000 TYR 33 0.840 -49.947 14.744 40.548 -99.200 -91.000 PHE 41 1.000 -48.527 14.434 54.135 -99.200 -91.000 PHE 45 1.000 -54.931 7.445 48.579 -99.200 -91.000 PHE 62 1.000 -65.543 6.087 29.463 -99.200 -91.000 PHE 64 1.000 -58.216 15.874 30.053 -99.200 -91.000 HIS 65 0.900 -64.352 17.336 34.972 -99.200 -91.000 TRP 68 1.040 -53.853 14.410 33.040 -99.200 -91.000 TRP6 68 1.020 -53.475 16.742 32.945 -99.200 -91.000 PHE 134 1.000 -51.565 -13.986 30.334 -99.200 -91.000 PHE 138 1.000 -45.834 -8.366 24.754 -99.200 -91.000 PHE 177 1.000 -49.228 -13.338 24.691 -99.200 -91.000 PHE 178 1.000 -42.474 -9.068 20.955 -99.200 -91.000 TYR 183 0.840 -47.941 -9.563 19.379 -99.200 -91.000 TRP 190 1.040 -39.967 -0.874 16.260 -99.200 -91.000 TRP6 190 1.020 -39.516 -2.119 18.231 -99.200 -91.000 PHE 191 1.000 -34.095 -2.208 14.672 -99.200 -91.000 TRP 195 1.040 -29.681 8.578 13.978 -99.200 -91.000 TRP6 195 1.020 -29.863 7.391 11.944 -99.200 -91.000 HIS 204 0.900 -28.069 3.811 21.759 -99.200 -91.000 PHE 231 1.000 -32.404 -16.180 7.177 -99.200 -91.000 TYR 273 0.840 -28.072 -11.892 5.543 -99.200 -91.000 PHE 274 1.000 -21.725 -10.338 10.400 -99.200 -91.000 PHE 301 1.000 -11.276 -1.231 25.403 -99.200 -91.000 TYR 309 0.840 -20.905 -10.212 22.147 -99.200 -91.000 PHE 311 1.000 -13.270 -13.535 13.835 -99.200 -91.000 PHE 314 1.000 -18.531 -16.277 10.663 -99.200 -91.000 TYR 316 0.840 -21.125 -20.351 21.423 -99.200 -91.000 PHE 352 1.000 3.226 -13.072 15.225 -99.200 -91.000 TRP 360 1.040 -6.430 -9.968 25.763 -99.200 -91.000 TRP6 360 1.020 -8.749 -10.011 25.317 -99.200 -91.000 HIS 368 0.900 -13.966 -16.782 21.262 -99.200 -91.000 TRP 423 1.040 -2.715 -24.451 18.362 -99.200 -91.000 TRP6 423 1.020 -1.376 -22.758 17.389 -99.200 -91.000 HIS 433 0.900 3.480 -30.967 15.450 -99.200 -91.000 PHE 434 1.000 4.596 -25.219 24.298 -99.200 -91.000 HIS 436 0.900 10.570 -32.423 17.586 -99.200 -91.000 PHE 443 1.000 8.903 -18.608 28.632 -99.200 -91.000 TYR 472 0.840 -6.157 -34.098 32.031 -99.200 -91.000 PHE 473 1.000 -6.159 -32.059 27.576 -99.200 -91.000 TYR 481 0.840 11.077 -31.763 27.721 -99.200 -91.000 PHE 499 1.000 2.254 -26.947 37.878 -99.200 -91.000 PHE 505 1.000 -0.085 -17.005 42.478 -99.200 -91.000 HIS 509 0.900 -6.251 -10.486 37.625 -99.200 -91.000 TYR 512 0.840 -11.544 -17.347 36.547 -99.200 -91.000 PHE 523 1.000 -12.491 -7.065 28.252 -99.200 -91.000 TYR 528 0.840 -10.539 -1.911 34.537 -99.200 -91.000 PHE 531 1.000 -8.383 -13.449 33.891 -99.200 -91.000 HIS 533 0.900 -18.386 -16.233 29.331 -99.200 -91.000 PHE 535 1.000 -7.502 -18.877 29.809 -99.200 -91.000 TYR 551 0.840 -0.029 -33.909 43.867 -99.200 -91.000