============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 4 0.840 29.944 2.637 32.588 -99.200 -91.000 TYR 8 0.840 14.053 1.668 29.110 -99.200 -91.000 PHE 9 1.000 9.284 3.583 31.855 -99.200 -91.000 TRP 29 1.040 24.214 -2.702 32.843 -99.200 -91.000 TRP6 29 1.020 25.069 -4.348 31.372 -99.200 -91.000 TRP 39 1.040 6.689 7.196 33.921 -99.200 -91.000 TRP6 39 1.020 8.827 8.190 34.124 -99.200 -91.000 TYR 50 0.840 15.783 16.767 27.490 -99.200 -91.000 PHE 56 1.000 24.939 4.929 31.401 -99.200 -91.000 TYR 64 0.840 17.730 12.554 32.925 -99.200 -91.000 HIS 72 0.900 29.664 9.202 28.839 -99.200 -91.000 TYR 80 0.840 31.263 9.082 18.244 -99.200 -91.000 TYR 104 0.840 9.796 -1.488 16.506 -99.200 -91.000 TYR 109 0.840 5.419 1.866 22.878 -99.200 -91.000 TYR 112 0.840 1.456 -4.584 15.859 -99.200 -91.000 TYR 119 0.840 7.395 0.093 10.270 -99.200 -91.000 PHE 130 1.000 20.135 1.721 8.350 -99.200 -91.000 PHE 143 1.000 33.234 -4.742 13.446 -99.200 -91.000 PHE 151 1.000 27.680 6.035 18.465 -99.200 -91.000 TYR 154 0.840 28.027 -2.928 20.459 -99.200 -91.000 HIS 163 0.900 12.521 -2.594 12.176 -99.200 -91.000 PHE 174 1.000 17.094 -5.128 2.254 -99.200 -91.000 TYR 180 0.840 25.935 -5.332 10.935 -99.200 -91.000 PHE 193 1.000 22.730 -8.297 27.399 -99.200 -91.000 TYR 199 0.840 18.168 -9.313 24.334 -99.200 -91.000