============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.628 -10.976 -5.370 -99.200 -91.000 TRP6 12 1.020 -4.539 -11.094 -7.538 -99.200 -91.000 TYR 20 0.840 1.188 7.612 8.696 -99.200 -91.000 TRP 26 1.040 8.806 2.817 9.626 -99.200 -91.000 TRP6 26 1.020 9.067 4.506 8.016 -99.200 -91.000 HIS 28 0.900 -1.483 -0.202 4.377 -99.200 -91.000 TRP 39 1.040 10.730 4.865 -11.492 -99.200 -91.000 TRP6 39 1.020 10.112 7.083 -11.046 -99.200 -91.000 HIS 45 0.900 -6.656 9.200 -2.370 -99.200 -91.000 PHE 53 1.000 4.043 9.453 2.290 -99.200 -91.000 HIS 60 0.900 -0.260 -12.932 3.229 -99.200 -91.000 TYR 71 0.840 10.508 -3.999 6.154 -99.200 -91.000 HIS 80 0.900 -1.605 14.020 -14.630 -99.200 -91.000 TYR 82 0.840 -4.015 19.640 -16.598 -99.200 -91.000 TRP 83 1.040 -3.891 15.314 -6.515 -99.200 -91.000 TRP6 83 1.020 -5.932 14.164 -6.332 -99.200 -91.000 TYR 91 0.840 -6.265 14.984 -15.149 -99.200 -91.000 TYR 107 0.840 7.283 -15.224 -1.224 -99.200 -91.000 TYR 127 0.840 -10.187 -12.191 -7.629 -99.200 -91.000 TRP 131 1.040 -1.917 -5.712 3.983 -99.200 -91.000 TRP6 131 1.020 -0.516 -5.256 2.157 -99.200 -91.000 TYR 148 0.840 -15.255 -12.007 -9.553 -99.200 -91.000 TYR 154 0.840 -18.559 7.672 -18.872 -99.200 -91.000 TYR 160 0.840 -25.062 1.704 -11.128 -99.200 -91.000 TRP 161 1.040 -19.669 6.103 -8.173 -99.200 -91.000 TRP6 161 1.020 -19.151 7.295 -6.201 -99.200 -91.000 HIS 190 0.900 -3.932 -7.175 -8.678 -99.200 -91.000 TYR 197 0.840 -5.911 -12.309 -12.526 -99.200 -91.000 HIS 200 0.900 -7.064 -3.596 -17.540 -99.200 -91.000 PHE 205 1.000 -14.226 8.771 -6.705 -99.200 -91.000 PHE 220 1.000 -10.863 0.130 -8.358 -99.200 -91.000 TYR 226 0.840 -4.161 9.068 -15.854 -99.200 -91.000 TRP 229 1.040 2.010 11.791 -15.912 -99.200 -91.000 TRP6 229 1.020 2.009 10.569 -13.895 -99.200 -91.000