============================================================================= 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. PHE 27 1.000 -2.499 -34.582 22.904 -99.200 -91.000 HIS 35 0.900 -13.809 -31.921 27.907 -99.200 -91.000 TRP 36 1.040 -11.408 -24.700 23.654 -99.200 -91.000 TRP6 36 1.020 -9.466 -23.373 23.656 -99.200 -91.000 TRP 47 1.040 -17.058 -28.379 29.673 -99.200 -91.000 TRP6 47 1.020 -19.296 -28.212 28.938 -99.200 -91.000 TRP 50 1.040 -18.150 -32.322 25.840 -99.200 -91.000 TRP6 50 1.020 -18.877 -33.689 24.053 -99.200 -91.000 TYR 60 0.840 -20.799 -25.360 21.622 -99.200 -91.000 PHE 68 1.000 -17.835 -18.158 24.042 -99.200 -91.000 TYR 80 0.840 -8.619 -24.120 14.765 -99.200 -91.000 TYR 94 0.840 -12.055 -17.909 27.763 -99.200 -91.000 TYR 95 0.840 -6.186 -22.250 32.567 -99.200 -91.000 TYR 106 0.840 -0.015 -34.883 28.762 -99.200 -91.000 TRP 107 1.040 -5.434 -29.561 32.688 -99.200 -91.000 TRP6 107 1.020 -7.362 -28.263 33.046 -99.200 -91.000 PHE 126 1.000 4.670 7.690 39.208 -99.200 -91.000 TYR 143 0.840 -0.872 -2.420 35.048 -99.200 -91.000 PHE 144 1.000 -8.151 -2.255 30.538 -99.200 -91.000 TRP 152 1.040 12.560 -5.704 42.051 -99.200 -91.000 TRP6 152 1.020 12.882 -3.432 42.609 -99.200 -91.000 HIS 162 0.900 7.431 -11.051 49.583 -99.200 -91.000 PHE 164 1.000 2.705 -6.678 48.053 -99.200 -91.000 TYR 174 0.840 -6.374 -4.247 36.032 -99.200 -91.000 TYR 192 0.840 19.456 -2.622 45.744 -99.200 -91.000 HIS 198 0.900 0.615 -2.687 29.818 -99.200 -91.000