============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 10 0.900 10.681 34.212 9.607 -99.200 -91.000 TYR 55 0.840 28.365 36.628 7.927 -99.200 -91.000 TYR 82 0.840 20.024 48.308 28.598 -99.200 -91.000 TRP 84 1.040 25.463 47.318 18.841 -99.200 -91.000 TRP6 84 1.020 27.682 47.127 19.661 -99.200 -91.000 HIS 85 0.900 27.134 50.059 23.556 -99.200 -91.000 PHE 88 1.000 31.180 44.101 21.923 -99.200 -91.000 HIS 89 0.900 30.484 45.771 26.769 -99.200 -91.000 HIS 98 0.900 38.232 40.484 18.871 -99.200 -91.000 TRP 114 1.040 18.809 51.866 14.519 -99.200 -91.000 TRP6 114 1.020 18.450 54.187 14.961 -99.200 -91.000 TYR 126 0.840 14.900 59.696 4.348 -99.200 -91.000 PHE 133 1.000 26.145 65.793 2.451 -99.200 -91.000 HIS 134 0.900 24.963 61.985 -0.406 -99.200 -91.000 TYR 141 0.840 30.047 50.010 -5.987 -99.200 -91.000 TYR 146 0.840 30.821 38.997 -9.324 -99.200 -91.000 TRP 147 1.040 38.074 36.839 -10.095 -99.200 -91.000 TRP6 147 1.020 38.907 35.148 -8.605 -99.200 -91.000 TRP 161 1.040 26.369 45.943 -15.351 -99.200 -91.000 TRP6 161 1.020 24.075 45.292 -14.979 -99.200 -91.000 PHE 166 1.000 23.854 50.506 -11.847 -99.200 -91.000 HIS 208 0.900 56.704 42.451 -2.041 -99.200 -91.000 TYR 223 0.840 35.601 56.949 -5.966 -99.200 -91.000 TRP 224 1.040 36.398 50.986 -4.049 -99.200 -91.000 TRP6 224 1.020 34.507 52.105 -3.119 -99.200 -91.000 PHE 225 1.000 44.236 47.007 -5.179 -99.200 -91.000 HIS 237 0.900 44.667 46.377 3.814 -99.200 -91.000 TYR 256 0.840 32.725 40.902 11.145 -99.200 -91.000 PHE 261 1.000 35.676 49.357 9.507 -99.200 -91.000 TYR 264 0.840 42.578 47.888 8.196 -99.200 -91.000 HIS 297 0.900 39.885 66.123 8.205 -99.200 -91.000 TRP 300 1.040 30.419 53.875 6.240 -99.200 -91.000 TRP6 300 1.020 28.095 54.330 5.986 -99.200 -91.000 HIS 303 0.900 29.492 43.840 1.554 -99.200 -91.000 PHE 305 1.000 26.880 41.114 -4.173 -99.200 -91.000 HIS 316 0.900 15.957 54.270 5.186 -99.200 -91.000 HIS 323 0.900 31.672 59.878 5.085 -99.200 -91.000 PHE 327 1.000 23.609 52.112 -1.443 -99.200 -91.000 TRP 329 1.040 21.004 48.031 -6.938 -99.200 -91.000 TRP6 329 1.020 19.534 49.221 -5.524 -99.200 -91.000 HIS 333 0.900 18.987 34.769 -10.921 -99.200 -91.000 TYR 343 0.840 14.341 50.941 -2.537 -99.200 -91.000 PHE 362 1.000 12.172 47.393 2.069 -99.200 -91.000 TRP 366 1.040 5.505 39.331 5.937 -99.200 -91.000 TRP6 366 1.020 7.308 38.591 7.320 -99.200 -91.000 PHE 368 1.000 11.090 35.755 -2.311 -99.200 -91.000 HIS 372 0.900 11.256 31.878 -2.738 -99.200 -91.000 TRP 374 1.040 19.557 26.728 4.113 -99.200 -91.000 TRP6 374 1.020 20.277 26.050 6.302 -99.200 -91.000 HIS 384 0.900 39.227 31.067 -5.310 -99.200 -91.000 HIS 391 0.900 48.303 23.922 -2.131 -99.200 -91.000 HIS 392 0.900 53.108 26.328 -8.737 -99.200 -91.000