============================================================================= 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. TYR 27 0.840 14.649 1.804 -11.761 -99.200 -91.000 PHE 29 1.000 21.084 3.221 -10.738 -99.200 -91.000 TYR 32 0.840 11.902 5.939 -12.694 -99.200 -91.000 TRP 33 1.040 15.468 12.897 -8.819 -99.200 -91.000 TRP6 33 1.020 17.356 14.230 -8.284 -99.200 -91.000 TRP 36 1.040 20.755 7.007 -0.725 -99.200 -91.000 TRP6 36 1.020 21.540 4.787 -0.432 -99.200 -91.000 HIS 43 0.900 15.726 11.479 16.031 -99.200 -91.000 TRP 47 1.040 14.866 12.787 1.639 -99.200 -91.000 TRP6 47 1.020 15.985 14.739 0.825 -99.200 -91.000 TYR 60 0.840 24.636 15.003 -0.383 -99.200 -91.000 PHE 64 1.000 21.187 12.716 8.081 -99.200 -91.000 PHE 70 1.000 22.804 10.950 -0.604 -99.200 -91.000 TYR 80 0.840 28.146 1.724 -4.882 -99.200 -91.000 TYR 93 0.840 22.003 4.608 7.933 -99.200 -91.000 TYR 94 0.840 14.284 0.731 5.883 -99.200 -91.000 HIS 99 0.900 10.969 13.419 -9.672 -99.200 -91.000 TYR 101 0.840 11.570 15.333 -18.399 -99.200 -91.000 TYR 102 0.840 8.350 7.311 -18.261 -99.200 -91.000 PHE 103 1.000 4.797 5.484 -14.084 -99.200 -91.000 TYR 104 0.840 5.577 9.965 -7.684 -99.200 -91.000 TYR 108 0.840 8.676 -0.334 -7.678 -99.200 -91.000 TRP 109 1.040 9.759 2.745 0.727 -99.200 -91.000 TRP6 109 1.020 10.943 4.007 2.345 -99.200 -91.000 PHE 128 1.000 24.353 -14.383 35.534 -99.200 -91.000 TYR 151 0.840 22.925 -10.508 23.858 -99.200 -91.000 PHE 152 1.000 28.871 -5.575 19.901 -99.200 -91.000 TRP 160 1.040 11.477 -20.141 28.132 -99.200 -91.000 TRP6 160 1.020 12.421 -20.288 30.272 -99.200 -91.000 HIS 170 0.900 4.478 -12.511 27.344 -99.200 -91.000 PHE 172 1.000 9.805 -8.815 28.936 -99.200 -91.000 TYR 182 0.840 23.088 -4.999 21.881 -99.200 -91.000 TYR 200 0.840 8.243 -25.246 33.802 -99.200 -91.000 HIS 206 0.900 26.159 -13.797 21.012 -99.200 -91.000