============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 10.981 25.839 38.472 -99.200 -91.000 TYR 7 0.840 22.036 37.380 39.905 -99.200 -91.000 PHE 8 1.000 18.840 38.628 31.762 -99.200 -91.000 PHE 9 1.000 25.356 41.173 36.208 -99.200 -91.000 PHE 22 1.000 26.902 47.094 36.963 -99.200 -91.000 TYR 27 0.840 14.320 39.195 35.017 -99.200 -91.000 PHE 33 1.000 16.708 36.950 42.387 -99.200 -91.000 PHE 36 1.000 24.541 48.872 42.071 -99.200 -91.000 TRP 51 1.040 9.964 35.773 45.632 -99.200 -91.000 TRP6 51 1.020 12.155 35.181 44.977 -99.200 -91.000 TYR 59 0.840 20.385 37.537 49.117 -99.200 -91.000 TRP 60 1.040 18.698 41.928 51.626 -99.200 -91.000 TRP6 60 1.020 18.242 41.889 49.304 -99.200 -91.000 HIS 70 0.900 29.294 40.817 39.538 -99.200 -91.000 HIS 74 0.900 30.065 44.654 33.097 -99.200 -91.000 TYR 84 0.840 41.027 44.277 24.258 -99.200 -91.000 TYR 85 0.840 35.919 45.702 19.333 -99.200 -91.000 HIS 93 0.900 31.925 52.936 21.895 -99.200 -91.000 TYR 99 0.840 26.516 35.934 36.320 -99.200 -91.000 TRP 107 1.040 13.163 21.915 42.092 -99.200 -91.000 TRP6 107 1.020 12.762 23.207 44.030 -99.200 -91.000 PHE 109 1.000 24.651 22.768 36.010 -99.200 -91.000 TYR 113 0.840 22.048 30.132 31.105 -99.200 -91.000 HIS 114 0.900 30.217 35.244 31.529 -99.200 -91.000 TYR 116 0.840 31.863 41.537 28.365 -99.200 -91.000 TYR 118 0.840 32.513 47.538 22.842 -99.200 -91.000 TYR 123 0.840 34.883 40.972 23.486 -99.200 -91.000 TRP 133 1.040 36.732 31.354 28.283 -99.200 -91.000 TRP6 133 1.020 35.081 32.439 29.581 -99.200 -91.000 HIS 145 0.900 44.535 34.064 22.547 -99.200 -91.000 TRP 147 1.040 38.384 36.739 30.682 -99.200 -91.000 TRP6 147 1.020 36.071 36.925 30.213 -99.200 -91.000 HIS 151 0.900 44.003 27.709 34.553 -99.200 -91.000 TYR 159 0.840 27.585 31.926 40.372 -99.200 -91.000 TRP 167 1.040 22.897 30.818 47.693 -99.200 -91.000 TRP6 167 1.020 21.752 32.190 49.229 -99.200 -91.000 TYR 171 0.840 17.676 33.331 45.448 -99.200 -91.000 HIS 188 0.900 -10.859 38.340 26.106 -99.200 -91.000 HIS 191 0.900 -16.780 39.927 14.078 -99.200 -91.000 HIS 192 0.900 -12.673 45.067 17.686 -99.200 -91.000 HIS 197 0.900 -14.442 44.530 1.762 -99.200 -91.000 TRP 204 1.040 -7.813 40.019 23.247 -99.200 -91.000 TRP6 204 1.020 -6.222 41.644 23.867 -99.200 -91.000 PHE 208 1.000 0.194 34.578 28.929 -99.200 -91.000 TYR 209 0.840 5.404 33.175 36.414 -99.200 -91.000 TRP 217 1.040 -6.231 33.619 15.185 -99.200 -91.000 TRP6 217 1.020 -8.561 33.446 15.512 -99.200 -91.000 PHE 241 1.000 5.487 37.511 31.635 -99.200 -91.000 TRP 244 1.040 -3.043 41.438 20.765 -99.200 -91.000 TRP6 244 1.020 -2.947 41.715 18.428 -99.200 -91.000 TYR 257 0.840 -10.389 32.354 9.362 -99.200 -91.000 HIS 260 0.900 -6.542 25.272 17.574 -99.200 -91.000 HIS 263 0.900 0.824 29.175 30.396 -99.200 -91.000 TRP 274 1.040 -17.540 35.225 16.463 -99.200 -91.000 TRP6 274 1.020 -17.050 36.493 18.392 -99.200 -91.000