============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. TRP 6 1.040 -18.761 -12.966 24.861 -99.200 -91.000 TRP6 6 1.020 -18.095 -10.879 23.970 -99.200 -91.000 TRP 7 1.040 -14.209 -8.961 26.839 -99.200 -91.000 TRP6 7 1.020 -14.408 -7.858 24.759 -99.200 -91.000 HIS 11 0.900 -9.158 -16.007 18.997 -99.200 -91.000 TRP 15 1.040 -15.594 -13.118 7.646 -99.200 -91.000 TRP6 15 1.020 -13.617 -12.863 8.904 -99.200 -91.000 PHE 23 1.000 -18.920 -13.078 3.524 -99.200 -91.000 PHE 27 1.000 -15.063 -4.046 12.189 -99.200 -91.000 TRP 28 1.040 -17.950 -8.111 19.642 -99.200 -91.000 TRP6 28 1.020 -17.867 -9.688 17.888 -99.200 -91.000 TRP 29 1.040 -11.041 -1.156 22.298 -99.200 -91.000 TRP6 29 1.020 -11.936 0.381 23.849 -99.200 -91.000 TYR 38 0.840 -15.937 2.318 38.977 -99.200 -91.000 TRP 45 1.040 -15.269 8.425 16.774 -99.200 -91.000 TRP6 45 1.020 -17.456 8.825 15.958 -99.200 -91.000 TYR 47 0.840 -9.888 6.545 9.080 -99.200 -91.000 TRP 65 1.040 -16.935 0.694 24.374 -99.200 -91.000 TRP6 65 1.020 -17.995 2.753 23.892 -99.200 -91.000 TRP 67 1.040 -20.373 0.238 13.612 -99.200 -91.000 TRP6 67 1.020 -19.115 0.021 11.628 -99.200 -91.000 TRP 75 1.040 -13.041 -3.306 1.567 -99.200 -91.000 TRP6 75 1.020 -12.122 -3.566 3.722 -99.200 -91.000 TYR 79 0.840 -9.885 -3.524 11.752 -99.200 -91.000 PHE 81 1.000 -11.608 -1.633 16.633 -99.200 -91.000 PHE 90 1.000 -15.978 12.840 12.574 -99.200 -91.000 TRP 102 1.040 -12.543 10.836 9.968 -99.200 -91.000 TRP6 102 1.020 -12.943 9.170 11.592 -99.200 -91.000 TRP 119 1.040 0.531 -2.841 9.103 -99.200 -91.000 TRP6 119 1.020 -1.445 -3.971 8.511 -99.200 -91.000 HIS 125 0.900 -3.440 5.440 12.565 -99.200 -91.000 TRP 141 1.040 1.979 -10.753 0.140 -99.200 -91.000 TRP6 141 1.020 3.067 -9.989 2.095 -99.200 -91.000 TRP 156 1.040 24.168 3.833 2.248 -99.200 -91.000 TRP6 156 1.020 22.343 4.649 0.974 -99.200 -91.000 TRP 168 1.040 16.093 -4.998 7.052 -99.200 -91.000 TRP6 168 1.020 15.284 -2.785 7.160 -99.200 -91.000 PHE 170 1.000 14.986 -13.245 1.801 -99.200 -91.000 PHE 185 1.000 4.116 -1.525 5.433 -99.200 -91.000 TRP 186 1.040 7.183 -2.987 1.231 -99.200 -91.000 TRP6 186 1.020 5.005 -3.899 1.305 -99.200 -91.000 TRP 193 1.040 12.065 -11.114 5.915 -99.200 -91.000 TRP6 193 1.020 13.272 -9.561 4.606 -99.200 -91.000 HIS 201 0.900 11.649 -22.253 -1.431 -99.200 -91.000 TYR 210 0.840 13.718 -10.167 -3.837 -99.200 -91.000 HIS 220 0.900 15.931 12.192 7.562 -99.200 -91.000 HIS 223 0.900 13.115 17.431 3.123 -99.200 -91.000 PHE 231 1.000 16.822 7.258 -2.002 -99.200 -91.000 TRP 232 1.040 16.259 7.479 -7.070 -99.200 -91.000 TRP6 232 1.020 16.034 5.157 -6.668 -99.200 -91.000 PHE 249 1.000 23.810 -5.878 -7.412 -99.200 -91.000 PHE 263 1.000 5.717 11.917 -1.239 -99.200 -91.000 TYR 270 0.840 14.142 11.674 -10.201 -99.200 -91.000 HIS 274 0.900 15.863 12.174 -14.334 -99.200 -91.000 TRP 275 1.040 20.802 8