============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 26 0.840 2.892 -15.352 1.395 -99.200 -91.000 PHE 28 1.000 -8.322 -15.118 6.458 -99.200 -91.000 TRP 32 1.040 -9.071 -22.438 15.437 -99.200 -91.000 TRP6 32 1.020 -11.329 -23.020 15.069 -99.200 -91.000 TRP 35 1.040 -14.213 -11.793 14.946 -99.200 -91.000 TRP6 35 1.020 -14.013 -9.613 14.033 -99.200 -91.000 TRP 46 1.040 -13.366 -16.336 22.477 -99.200 -91.000 TRP6 46 1.020 -14.903 -18.096 22.021 -99.200 -91.000 TYR 51 0.840 -8.638 -23.967 10.746 -99.200 -91.000 TYR 56 0.840 -16.537 -26.487 13.836 -99.200 -91.000 TYR 59 0.840 -21.274 -18.002 15.839 -99.200 -91.000 PHE 63 1.000 -21.271 -11.520 22.689 -99.200 -91.000 TYR 79 0.840 -15.495 -8.817 5.612 -99.200 -91.000 TYR 92 0.840 -18.237 -5.052 19.366 -99.200 -91.000 TYR 93 0.840 -9.338 -4.783 21.520 -99.200 -91.000 HIS 98 0.900 4.296 -17.384 14.664 -99.200 -91.000 TYR 99 0.840 1.237 -22.472 9.934 -99.200 -91.000 PHE 100 1.000 5.627 -21.910 11.348 -99.200 -91.000 TYR 101 0.840 6.594 -18.741 21.005 -99.200 -91.000 TYR 106 0.840 1.486 -11.828 15.466 -99.200 -91.000 TRP 107 1.040 -4.595 -9.432 21.324 -99.200 -91.000 TRP6 107 1.020 -6.722 -9.545 22.352 -99.200 -91.000 TYR 126 0.840 -12.048 26.460 18.969 -99.200 -91.000 TYR 144 0.840 -14.253 14.496 19.434 -99.200 -91.000 PHE 145 1.000 -22.117 10.883 18.446 -99.200 -91.000 TRP 153 1.040 0.723 18.079 21.474 -99.200 -91.000 TRP6 153 1.020 0.107 20.369 21.287 -99.200 -91.000 HIS 163 0.900 0.726 14.536 31.362 -99.200 -91.000 PHE 165 1.000 -5.257 16.058 30.626 -99.200 -91.000 TYR 174 0.840 -18.065 11.333 22.842 -99.200 -91.000 TRP 187 1.040 5.693 27.950 20.919 -99.200 -91.000 TRP6 187 1.020 4.666 29.643 22.220 -99.200 -91.000 HIS 198 0.900 -14.450 12.831 14.090 -99.200 -91.000