============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 5 1.040 -11.854 2.055 17.444 -99.200 -91.000 TRP6 5 1.020 -14.006 2.794 16.853 -99.200 -91.000 HIS 6 0.900 -5.146 2.040 14.964 -99.200 -91.000 TYR 10 0.840 8.800 5.846 18.654 -99.200 -91.000 PHE 12 1.000 10.719 5.661 23.191 -99.200 -91.000 TYR 15 0.840 6.433 -5.562 15.852 -99.200 -91.000 TRP 26 1.040 -7.268 1.789 32.672 -99.200 -91.000 TRP6 26 1.020 -5.395 0.572 33.424 -99.200 -91.000 HIS 32 0.900 2.469 -9.604 19.428 -99.200 -91.000 TYR 34 0.840 7.055 -6.004 28.897 -99.200 -91.000 TYR 38 0.840 5.327 -0.139 26.678 -99.200 -91.000 TRP 41 1.040 3.325 8.765 18.930 -99.200 -91.000 TRP6 41 1.020 4.269 7.932 16.931 -99.200 -91.000 HIS 51 0.900 2.919 14.412 22.466 -99.200 -91.000 HIS 60 0.900 -4.096 -12.883 31.055 -99.200 -91.000 PHE 63 1.000 2.699 -13.402 25.355 -99.200 -91.000 TYR 74 0.840 2.995 -15.657 19.267 -99.200 -91.000 HIS 129 0.900 1.744 -26.884 11.637 -99.200 -91.000 TYR 148 0.840 -7.376 -12.087 -2.074 -99.200 -91.000 HIS 152 0.900 -0.078 -8.829 11.845 -99.200 -91.000 TRP 170 1.040 4.303 -13.149 15.719 -99.200 -91.000 TRP6 170 1.020 4.800 -14.606 13.926 -99.200 -91.000 TYR 184 0.840 -7.547 -10.270 13.536 -99.200 -91.000 PHE 190 1.000 -7.789 -13.933 27.280 -99.200 -91.000 TRP 193 1.040 -6.121 -9.963 33.350 -99.200 -91.000 TRP6 193 1.020 -5.218 -8.603 31.639 -99.200 -91.000