============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 68.634 7.067 -19.829 -99.200 -91.000 PHE 10 1.000 69.044 8.755 -7.010 -99.200 -91.000 PHE 27 1.000 65.472 2.398 -11.961 -99.200 -91.000 PHE 35 1.000 64.046 11.438 -9.959 -99.200 -91.000 TYR 44 0.840 54.841 8.917 -22.638 -99.200 -91.000 TYR 51 0.840 61.709 4.534 -20.646 -99.200 -91.000 TYR 54 0.840 56.019 -5.538 -20.706 -99.200 -91.000 TRP 58 1.040 57.952 -1.475 -8.299 -99.200 -91.000 TRP6 58 1.020 59.763 -2.938 -8.703 -99.200 -91.000 HIS 63 0.900 41.577 -2.402 -15.378 -99.200 -91.000 HIS 65 0.900 51.441 4.329 -15.910 -99.200 -91.000 PHE 84 1.000 33.173 12.483 3.414 -99.200 -91.000 TYR 126 0.840 39.844 -18.067 15.510 -99.200 -91.000 PHE 135 1.000 56.446 -21.586 3.401 -99.200 -91.000 TYR 139 0.840 58.536 -6.831 1.504 -99.200 -91.000 HIS 140 0.900 54.921 -13.131 3.494 -99.200 -91.000 HIS 142 0.900 57.313 -1.279 6.526 -99.200 -91.000 TYR 172 0.840 56.801 -20.553 -2.463 -99.200 -91.000 TYR 180 0.840 62.556 -31.531 12.120 -99.200 -91.000 PHE 182 1.000 52.376 -26.365 11.578 -99.200 -91.000 PHE 185 1.000 60.370 -25.481 17.206 -99.200 -91.000 PHE 209 1.000 54.822 -24.729 -0.320 -99.200 -91.000 PHE 226 1.000 46.568 -19.588 0.042 -99.200 -91.000 PHE 232 1.000 41.219 -8.512 -5.813 -99.200 -91.000 TYR 236 0.840 36.046 -12.795 -12.018 -99.200 -91.000 TYR 242 0.840 45.723 -20.721 -12.077 -99.200 -91.000 TYR 243 0.840 48.181 -22.186 -8.015 -99.200 -91.000 TYR 265 0.840 42.802 -7.255 8.917 -99.200 -91.000 TYR 281 0.840 42.615 -0.333 18.500 -99.200 -91.000 TYR 296 0.840 32.245 -0.804 -7.726 -99.200 -91.000 TYR 307 0.840 41.911 -11.993 -14.030 -99.200 -91.000 PHE 310 1.000 45.320 -9.466 -17.105 -99.200 -91.000 HIS 327 0.900 70.783 -13.667 -29.988 -99.200 -91.000 HIS 331 0.900 66.402 -20.328 -22.039 -99.200 -91.000 HIS 332 0.900 62.749 -22.533 -14.877 -99.200 -91.000 PHE 342 1.000 63.387 -16.645 -11.719 -99.200 -91.000 PHE 343 1.000 68.582 -12.952 -18.271 -99.200 -91.000 TYR 351 0.840 66.318 -15.659 -2.048 -99.200 -91.000 PHE 361 1.000 75.254 -13.958 -19.310 -99.200 -91.000 PHE 362 1.000 67.258 -8.282 -14.378 -99.200 -91.000 TYR 365 0.840 66.494 -8.994 -20.897 -99.200 -91.000 TYR 366 0.840 66.163 -2.655 -15.933 -99.200 -91.000 PHE 374 1.000 60.192 1.401 -15.257 -99.200 -91.000 PHE 380 1.000 67.166 -12.478 -7.233 -99.200 -91.000 PHE 384 1.000 54.205 -6.942 -11.223 -99.200 -91.000 HIS 389 0.900 51.314 -4.027 -20.852 -99.200 -91.000