============================================================================= 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 -1.165 -5.737 9.595 -99.200 -91.000 TRP6 12 1.020 0.535 -6.621 8.207 -99.200 -91.000 TRP 14 1.040 3.510 -7.948 13.507 -99.200 -91.000 TRP6 14 1.020 3.282 -10.051 12.450 -99.200 -91.000 TYR 19 0.840 -4.772 3.172 24.508 -99.200 -91.000 PHE 20 1.000 2.181 10.234 29.529 -99.200 -91.000 TRP 35 1.040 12.196 -6.715 27.111 -99.200 -91.000 TRP6 35 1.020 12.641 -4.638 28.159 -99.200 -91.000 HIS 41 0.900 8.390 10.562 17.682 -99.200 -91.000 TYR 44 0.840 13.020 14.231 24.931 -99.200 -91.000 TRP 53 1.040 4.482 5.797 28.626 -99.200 -91.000 TRP6 53 1.020 3.890 6.400 26.414 -99.200 -91.000 HIS 60 0.900 -10.562 -4.729 13.835 -99.200 -91.000 HIS 83 0.900 24.599 5.940 21.521 -99.200 -91.000 TYR 84 0.840 15.016 10.814 20.723 -99.200 -91.000 HIS 97 0.900 9.699 -6.140 31.460 -99.200 -91.000 TYR 104 0.840 4.494 -14.874 22.024 -99.200 -91.000 TYR 107 0.840 -7.750 -13.072 17.067 -99.200 -91.000 PHE 120 1.000 14.737 -4.718 5.457 -99.200 -91.000 TRP 131 1.040 -5.643 1.391 15.864 -99.200 -91.000 TRP6 131 1.020 -4.082 -0.128 16.785 -99.200 -91.000 TYR 136 0.840 0.548 17.765 8.626 -99.200 -91.000 TYR 164 0.840 13.419 16.954 7.992 -99.200 -91.000 TYR 175 0.840 3.178 3.975 -3.236 -99.200 -91.000 TRP 198 1.040 4.266 -10.553 7.395 -99.200 -91.000 TRP6 198 1.020 4.085 -8.755 5.875 -99.200 -91.000 PHE 206 1.000 12.754 12.375 10.500 -99.200 -91.000 TYR 208 0.840 7.235 19.919 4.908 -99.200 -91.000 TYR 219 0.840 8.521 4.484 8.124 -99.200 -91.000 PHE 225 1.000 18.822 1.993 15.893 -99.200 -91.000 TRP 228 1.040 20.013 -0.834 22.719 -99.200 -91.000 TRP6 228 1.020 17.877 0.085 22.271 -99.200 -91.000 PHE 232 1.000 17.432 -3.349 26.099 -99.200 -91.000 HIS 234 0.900 14.190 -15.020 27.347 -99.200 -91.000