============================================================================= 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 -3.617 -10.945 -5.404 -99.200 -91.000 TRP6 12 1.020 -4.577 -11.102 -7.551 -99.200 -91.000 TYR 20 0.840 1.196 7.752 8.547 -99.200 -91.000 TRP 26 1.040 8.711 2.746 9.605 -99.200 -91.000 TRP6 26 1.020 9.018 4.460 8.007 -99.200 -91.000 HIS 28 0.900 -1.496 -0.196 4.377 -99.200 -91.000 TRP 39 1.040 10.750 4.817 -11.461 -99.200 -91.000 TRP6 39 1.020 10.159 7.045 -10.971 -99.200 -91.000 HIS 45 0.900 -6.562 9.195 -2.221 -99.200 -91.000 PHE 53 1.000 4.025 9.500 2.250 -99.200 -91.000 HIS 60 0.900 -0.287 -12.782 3.230 -99.200 -91.000 TYR 71 0.840 10.431 -4.039 6.219 -99.200 -91.000 HIS 80 0.900 -1.590 13.965 -14.543 -99.200 -91.000 TYR 82 0.840 -4.044 19.554 -16.551 -99.200 -91.000 TRP 83 1.040 -3.852 15.230 -6.405 -99.200 -91.000 TRP6 83 1.020 -5.895 14.060 -6.245 -99.200 -91.000 TYR 91 0.840 -6.273 14.916 -14.996 -99.200 -91.000 TYR 107 0.840 7.284 -15.158 -1.215 -99.200 -91.000 TYR 127 0.840 -10.180 -12.149 -7.564 -99.200 -91.000 TRP 131 1.040 -1.893 -5.685 4.002 -99.200 -91.000 TRP6 131 1.020 -0.489 -5.248 2.144 -99.200 -91.000 TYR 148 0.840 -15.226 -11.876 -9.592 -99.200 -91.000 TYR 154 0.840 -18.589 7.805 -18.794 -99.200 -91.000 TYR 160 0.840 -24.882 1.679 -10.956 -99.200 -91.000 TRP 161 1.040 -19.543 6.034 -7.961 -99.200 -91.000 TRP6 161 1.020 -18.932 7.254 -6.033 -99.200 -91.000 HIS 190 0.900 -3.856 -7.187 -8.683 -99.200 -91.000 TYR 197 0.840 -5.969 -12.206 -12.491 -99.200 -91.000 HIS 200 0.900 -6.935 -3.762 -17.368 -99.200 -91.000 PHE 205 1.000 -14.149 8.621 -6.681 -99.200 -91.000 PHE 220 1.000 -10.792 0.095 -8.290 -99.200 -91.000 TYR 226 0.840 -4.092 9.048 -15.794 -99.200 -91.000 TRP 229 1.040 1.984 11.717 -15.829 -99.200 -91.000 TRP6 229 1.020 2.021 10.467 -13.821 -99.200 -91.000