============================================================================= 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 3 1.040 16.419 -24.722 13.416 -99.200 -91.000 TRP6 3 1.020 16.046 -22.905 11.955 -99.200 -91.000 PHE 7 1.000 17.873 -26.968 -1.548 -99.200 -91.000 TYR 16 0.840 19.993 -31.956 -7.384 -99.200 -91.000 TRP 21 1.040 22.438 -25.941 -8.339 -99.200 -91.000 TRP6 21 1.020 23.133 -24.373 -6.715 -99.200 -91.000 TRP 37 1.040 14.082 -23.801 -8.821 -99.200 -91.000 TRP6 37 1.020 13.672 -21.588 -8.133 -99.200 -91.000 TYR 42 0.840 9.384 -25.513 2.543 -99.200 -91.000 PHE 45 1.000 9.899 -19.577 4.079 -99.200 -91.000 PHE 51 1.000 26.036 -14.987 2.598 -99.200 -91.000 TYR 64 0.840 6.968 -15.300 0.466 -99.200 -91.000 TRP 71 1.040 14.364 -18.167 -11.740 -99.200 -91.000 TRP6 71 1.020 15.464 -16.463 -10.518 -99.200 -91.000 HIS 84 0.900 33.451 -6.131 2.668 -99.200 -91.000 TRP 88 1.040 28.739 -3.894 -11.135 -99.200 -91.000 TRP6 88 1.020 29.369 -4.282 -13.373 -99.200 -91.000 TYR 94 0.840 17.604 -1.914 -6.975 -99.200 -91.000 TYR 101 0.840 18.409 -7.254 -8.196 -99.200 -91.000 HIS 103 0.900 11.290 -5.611 -6.069 -99.200 -91.000 TRP 118 1.040 32.477 -20.704 5.584 -99.200 -91.000 TRP6 118 1.020 30.773 -21.478 4.145 -99.200 -91.000 HIS 120 0.900 22.958 -17.806 10.493 -99.200 -91.000 HIS 128 0.900 4.365 -7.562 7.724 -99.200 -91.000 TRP 143 1.040 8.227 -2.647 -2.880 -99.200 -91.000 TRP6 143 1.020 8.675 -2.450 -0.571 -99.200 -91.000 TRP 158 1.040 15.412 -7.966 -14.163 -99.200 -91.000 TRP6 158 1.020 16.965 -6.278 -14.710 -99.200 -91.000 PHE 163 1.000 8.682 -8.126 -5.111 -99.200 -91.000 PHE 171 1.000 7.532 -25.061 -6.264 -99.200 -91.000 HIS 178 0.900 26.535 -13.858 -12.311 -99.200 -91.000 TRP 184 1.040 32.557 -22.345 -2.231 -99.200 -91.000 TRP6 184 1.020 33.779 -20.403 -2.765 -99.200 -91.000 PHE 185 1.000 24.430 -20.632 -1.777 -99.200 -91.000