============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 2 1.040 -24.052 34.640 12.502 -99.200 -91.000 TRP6 2 1.020 -24.308 32.815 14.007 -99.200 -91.000 HIS 8 0.900 -26.332 21.667 25.265 -99.200 -91.000 TRP 11 1.040 -27.456 17.473 24.933 -99.200 -91.000 TRP6 11 1.020 -27.340 17.582 22.577 -99.200 -91.000 PHE 16 1.000 -28.548 23.037 20.288 -99.200 -91.000 PHE 21 1.000 -29.490 34.029 13.148 -99.200 -91.000 TYR 29 0.840 -34.658 47.071 7.085 -99.200 -91.000 TRP 43 1.040 -47.741 36.742 10.520 -99.200 -91.000 TRP6 43 1.020 -46.484 34.769 10.672 -99.200 -91.000 PHE 44 1.000 -41.513 42.835 8.399 -99.200 -91.000 HIS 70 0.900 -36.435 28.254 6.840 -99.200 -91.000 HIS 77 0.900 -44.526 46.719 21.017 -99.200 -91.000 TYR 78 0.840 -42.942 39.070 23.214 -99.200 -91.000 TYR 80 0.840 -46.009 30.656 32.423 -99.200 -91.000 HIS 83 0.900 -46.675 28.865 22.666 -99.200 -91.000 TYR 84 0.840 -46.735 20.970 24.499 -99.200 -91.000 TYR 86 0.840 -45.812 19.145 20.096 -99.200 -91.000 PHE 87 1.000 -49.293 22.688 12.748 -99.200 -91.000 HIS 88 0.900 -50.656 20.919 20.603 -99.200 -91.000 HIS 93 0.900 -51.374 24.729 3.621 -99.200 -91.000 TYR 104 0.840 -34.594 36.270 22.846 -99.200 -91.000 TRP 128 1.040 -31.641 33.044 35.934 -99.200 -91.000 TRP6 128 1.020 -31.788 33.226 33.579 -99.200 -91.000 PHE 148 1.000 -38.347 26.676 20.971 -99.200 -91.000 TYR 149 0.840 -33.630 20.926 16.389 -99.200 -91.000 HIS 163 0.900 -42.372 27.500 22.697 -99.200 -91.000 TRP 174 1.040 -40.416 46.371 20.117 -99.200 -91.000 TRP6 174 1.020 -41.789 46.568 18.210 -99.200 -91.000 TRP 179 1.040 -43.205 29.234 14.936 -99.200 -91.000 TRP6 179 1.020 -45.175 30.516 14.959 -99.200 -91.000 HIS 181 0.900 -44.615 24.365 9.006 -99.200 -91.000