============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 14 0.840 24.651 9.167 17.134 -99.200 -91.000 PHE 15 1.000 22.037 5.069 10.321 -99.200 -91.000 TYR 29 0.840 9.316 -0.053 16.730 -99.200 -91.000 PHE 37 1.000 17.875 1.779 13.600 -99.200 -91.000 PHE 58 1.000 8.994 17.289 36.429 -99.200 -91.000 PHE 60 1.000 10.713 12.225 34.752 -99.200 -91.000 TYR 67 0.840 17.967 5.456 30.506 -99.200 -91.000 TRP 69 1.040 13.507 -1.977 23.572 -99.200 -91.000 TRP6 69 1.020 14.727 -1.135 21.718 -99.200 -91.000 HIS 80 0.900 13.081 15.729 19.938 -99.200 -91.000 TRP 84 1.040 9.174 21.819 19.447 -99.200 -91.000 TRP6 84 1.020 8.265 19.672 19.219 -99.200 -91.000 HIS 85 0.900 7.001 25.238 17.667 -99.200 -91.000 TRP 91 1.040 1.253 22.001 32.738 -99.200 -91.000 TRP6 91 1.020 3.307 23.113 33.043 -99.200 -91.000 HIS 107 0.900 9.550 19.947 31.128 -99.200 -91.000 HIS 114 0.900 13.438 10.097 36.129 -99.200 -91.000 TYR 115 0.840 15.331 10.372 31.707 -99.200 -91.000 TRP 122 1.040 19.090 15.912 28.201 -99.200 -91.000 TRP6 122 1.020 16.798 15.368 28.041 -99.200 -91.000 PHE 129 1.000 16.905 30.803 14.567 -99.200 -91.000 TRP 149 1.040 12.989 31.565 23.248 -99.200 -91.000 TRP6 149 1.020 12.747 29.249 22.913 -99.200 -91.000 PHE 154 1.000 21.142 25.430 24.036 -99.200 -91.000 TYR 168 0.840 18.384 25.785 17.661 -99.200 -91.000 TYR 171 0.840 11.100 22.657 10.478 -99.200 -91.000 TRP 176 1.040 26.945 28.045 3.466 -99.200 -91.000 TRP6 176 1.020 27.179 28.293 5.806 -99.200 -91.000 TRP 178 1.040 17.040 26.979 1.516 -99.200 -91.000 TRP6 178 1.020 14.982 25.951 2.129 -99.200 -91.000 TYR 185 0.840 27.979 30.266 10.466 -99.200 -91.000 PHE 191 1.000 22.795 31.010 21.799 -99.200 -91.000 PHE 203 1.000 23.084 20.992 11.001 -99.200 -91.000 HIS 206 0.900 12.099 15.392 9.842 -99.200 -91.000 PHE 207 1.000 17.981 16.400 3.810 -99.200 -91.000 TYR 213 0.840 21.979 15.817 -0.003 -99.200 -91.000 PHE 217 1.000 23.114 17.872 6.137 -99.200 -91.000 PHE 224 1.000 25.443 25.727 11.759 -99.200 -91.000 TYR 246 0.840 17.440 7.442 3.644 -99.200 -91.000 TRP 265 1.040 11.092 11.505 13.875 -99.200 -91.000 TRP6 265 1.020 12.330 11.798 15.875 -99.200 -91.000 TRP 273 1.040 7.606 12.660 10.716 -99.200 -91.000 TRP6 273 1.020 7.361 14.987 10.971 -99.200 -91.000 PHE 282 1.000 15.366 -1.669 8.554 -99.200 -91.000 TYR 292 0.840 20.004 -2.126 6.119 -99.200 -91.000