============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 8 1.000 12.571 53.079 -0.318 -99.200 -91.000 TYR 9 0.840 8.783 50.668 -2.123 -99.200 -91.000 PHE 12 1.000 12.221 48.642 3.073 -99.200 -91.000 PHE 22 1.000 -2.899 35.298 3.889 -99.200 -91.000 PHE 25 1.000 -4.977 41.452 6.982 -99.200 -91.000 PHE 33 1.000 -4.210 52.637 1.416 -99.200 -91.000 PHE 35 1.000 0.312 42.898 5.083 -99.200 -91.000 TRP 70 1.040 1.496 41.741 -18.802 -99.200 -91.000 TRP6 70 1.020 1.066 39.436 -19.092 -99.200 -91.000 TYR 71 0.840 5.590 39.998 -11.820 -99.200 -91.000 PHE 81 1.000 -3.680 53.665 -4.884 -99.200 -91.000 TYR 93 0.840 -14.703 53.199 -5.214 -99.200 -91.000 PHE 95 1.000 -3.942 49.220 -2.056 -99.200 -91.000 HIS 106 0.900 -1.623 41.358 -16.915 -99.200 -91.000 TYR 120 0.840 17.212 29.955 -21.992 -99.200 -91.000 PHE 124 1.000 18.486 32.352 -27.633 -99.200 -91.000 TYR 134 0.840 17.949 30.451 -6.213 -99.200 -91.000 PHE 135 1.000 12.759 33.898 -12.557 -99.200 -91.000 PHE 139 1.000 7.505 34.752 -12.325 -99.200 -91.000 TYR 140 0.840 6.037 29.401 -12.698 -99.200 -91.000 HIS 153 0.900 -7.718 45.051 -0.417 -99.200 -91.000 PHE 157 1.000 -11.389 44.300 2.821 -99.200 -91.000 HIS 159 0.900 -15.329 29.177 0.542 -99.200 -91.000 TYR 177 0.840 -11.547 9.220 -10.210 -99.200 -91.000 TYR 187 0.840 -3.607 11.492 -25.050 -99.200 -91.000 TYR 188 0.840 -3.852 7.861 -21.826 -99.200 -91.000 TYR 212 0.840 -4.353 23.977 1.976 -99.200 -91.000 HIS 216 0.900 -3.433 28.082 -2.771 -99.200 -91.000 TYR 218 0.840 -9.689 20.970 -9.078 -99.200 -91.000 HIS 219 0.900 -1.933 23.378 -9.815 -99.200 -91.000 PHE 222 1.000 -7.174 18.722 -13.321 -99.200 -91.000 PHE 225 1.000 -7.202 11.781 -8.060 -99.200 -91.000 HIS 235 0.900 3.712 -0.692 -16.531 -99.200 -91.000 HIS 236 0.900 -1.012 -1.936 -15.619 -99.200 -91.000 TYR 242 0.840 -6.051 0.330 -19.225 -99.200 -91.000 HIS 248 0.900 -5.013 5.902 4.472 -99.200 -91.000 PHE 276 1.000 8.342 17.007 -7.910 -99.200 -91.000 TYR 278 0.840 9.941 25.046 -12.482 -99.200 -91.000 TYR 280 0.840 13.519 15.232 -18.798 -99.200 -91.000 PHE 299 1.000 2.450 25.575 -21.873 -99.200 -91.000 TYR 301 0.840 7.270 24.897 -16.655 -99.200 -91.000 TYR 309 0.840 -0.962 26.485 -6.173 -99.200 -91.000 TYR 312 0.840 1.503 30.780 -0.208 -99.200 -91.000 PHE 313 1.000 -0.918 29.388 3.329 -99.200 -91.000 TYR 320 0.840 6.850 6.679 -1.155 -99.200 -91.000 TYR 325 0.840 3.770 -2.264 -7.024 -99.200 -91.000 TYR 332 0.840 4.358 14.284 3.710 -99.200 -91.000 TYR 347 0.840 18.037 40.754 -5.262 -99.200 -91.000 TRP 352 1.040 23.983 39.410 -7.488 -99.200 -91.000 TRP6 352 1.020 26.284 38.950 -7.239 -99.200 -91.000 HIS 354 0.900 21.341 29.534 -4.023 -99.200 -91.000 TYR 355 0.840 19.226 34.142 -9.629 -99.200 -91.000 TRP 362 1.040 29.976 13.787 0.351 -99.200 -91.000 TRP6 362 1.020 29.986 11.637 1.344 -99.200 -91.000