============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 2 0.900 -13.416 12.866 13.172 -99.200 -91.000 TYR 3 0.840 -10.683 9.910 6.937 -99.200 -91.000 TYR 5 0.840 -1.559 11.354 11.842 -99.200 -91.000 TYR 24 0.840 1.551 2.075 17.193 -99.200 -91.000 TRP 52 1.040 26.198 8.479 -9.163 -99.200 -91.000 TRP6 52 1.020 26.683 6.384 -8.140 -99.200 -91.000 HIS 53 0.900 23.439 2.578 -9.807 -99.200 -91.000 HIS 62 0.900 34.443 7.949 -23.838 -99.200 -91.000 TYR 64 0.840 37.063 5.036 -14.501 -99.200 -91.000 TYR 68 0.840 39.934 -2.168 -14.990 -99.200 -91.000 PHE 70 1.000 36.703 -5.558 -20.894 -99.200 -91.000 PHE 77 1.000 22.533 7.451 -23.257 -99.200 -91.000 TRP 79 1.040 16.897 11.032 -22.896 -99.200 -91.000 TRP6 79 1.020 18.543 11.550 -21.330 -99.200 -91.000 TYR 89 0.840 13.379 0.977 -9.448 -99.200 -91.000 HIS 94 0.900 4.312 6.181 -9.107 -99.200 -91.000 TYR 97 0.840 6.045 4.265 -1.526 -99.200 -91.000 PHE 112 1.000 -2.918 22.254 -3.385 -99.200 -91.000 PHE 115 1.000 -4.641 23.024 7.555 -99.200 -91.000 HIS 132 0.900 -4.342 13.733 17.172 -99.200 -91.000 HIS 143 0.900 11.834 28.086 -10.979 -99.200 -91.000 TYR 151 0.840 14.569 32.988 -22.882 -99.200 -91.000 PHE 158 1.000 18.715 15.485 -15.415 -99.200 -91.000 PHE 159 1.000 15.370 13.774 -11.930 -99.200 -91.000 TYR 175 0.840 21.493 17.197 -2.085 -99.200 -91.000 HIS 192 0.900 30.542 25.318 -19.902 -99.200 -91.000 PHE 194 1.000 28.326 29.020 -15.645 -99.200 -91.000 PHE 197 1.000 27.598 30.256 -1.519 -99.200 -91.000 PHE 204 1.000 28.358 18.769 1.979 -99.200 -91.000 HIS 224 0.900 32.564 28.297 -16.077 -99.200 -91.000 TRP 257 1.040 16.931 28.752 -13.902 -99.200 -91.000 TRP6 257 1.020 18.742 30.258 -14.038 -99.200 -91.000 TYR 282 0.840 11.961 26.690 4.963 -99.200 -91.000 TYR 288 0.840 8.685 16.644 22.457 -99.200 -91.000 TYR 297 0.840 0.279 16.774 15.627 -99.200 -91.000 PHE 324 1.000 -2.041 8.895 16.342 -99.200 -91.000 HIS 331 0.900 13.195 14.131 21.009 -99.200 -91.000 TYR 334 0.840 15.108 17.037 13.118 -99.200 -91.000 PHE 342 1.000 24.037 8.249 -4.055 -99.200 -91.000 HIS 344 0.900 29.804 11.189 -11.634 -99.200 -91.000 TYR 361 0.840 33.798 19.429 21.075 -99.200 -91.000 TYR 369 0.840 43.948 10.037 14.381 -99.200 -91.000 PHE 373 1.000 42.002 5.297 -0.114 -99.200 -91.000 TYR 377 0.840 36.076 1.264 -11.593 -99.200 -91.000 HIS 383 0.900 40.986 8.903 -18.050 -99.200 -91.000 HIS 404 0.900 33.380 15.238 8.123 -99.200 -91.000 PHE 408 1.000 34.785 5.223 -8.443 -99.200 -91.000 PHE 417 1.000 33.218 3.044 9.008 -99.200 -91.000 PHE 430 1.000 35.375 4.334 13.650 -99.200 -91.000 HIS 437 0.900 43.837 -5.533 1.706 -99.200 -91.000 PHE 444 1.000 36.424 6.815 7.194 -99.200 -91.000