============================================================================= 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. PHE 3 1.000 -67.719 -16.076 33.956 -99.200 -91.000 TYR 4 0.840 -70.506 -14.646 37.961 -99.200 -91.000 TRP 6 1.040 -64.317 -22.533 34.395 -99.200 -91.000 TRP6 6 1.020 -63.498 -20.438 33.650 -99.200 -91.000 PHE 10 1.000 -58.504 -20.722 34.226 -99.200 -91.000 PHE 17 1.000 -48.740 -25.976 35.833 -99.200 -91.000 TRP 24 1.040 -38.963 -21.533 35.605 -99.200 -91.000 TRP6 24 1.020 -37.502 -21.262 33.740 -99.200 -91.000 TYR 32 0.840 -29.719 -20.006 34.383 -99.200 -91.000 HIS 42 0.900 -21.750 -7.730 21.920 -99.200 -91.000 HIS 58 0.900 -43.615 -10.343 15.248 -99.200 -91.000 TRP 59 1.040 -45.684 -11.849 23.461 -99.200 -91.000 TRP6 59 1.020 -44.712 -11.958 25.626 -99.200 -91.000 PHE 60 1.000 -39.214 -11.862 26.054 -99.200 -91.000 TYR 63 0.840 -41.105 -7.295 29.399 -99.200 -91.000 PHE 84 1.000 -31.493 -9.097 12.120 -99.200 -91.000 PHE 89 1.000 -29.186 -3.228 7.413 -99.200 -91.000 TYR 90 0.840 -35.991 -11.255 10.007 -99.200 -91.000 TYR 103 0.840 -26.133 -2.700 12.809 -99.200 -91.000 PHE 108 1.000 -27.098 -11.399 13.940 -99.200 -91.000 TRP 109 1.040 -31.924 -11.707 23.451 -99.200 -91.000 TRP6 109 1.020 -32.060 -9.953 25.034 -99.200 -91.000 HIS 110 0.900 -34.866 -15.723 16.711 -99.200 -91.000 PHE 130 1.000 -28.805 -13.637 26.195 -99.200 -91.000 TRP 132 1.040 -32.754 -15.773 25.576 -99.200 -91.000 TRP6 132 1.020 -34.219 -14.614 27.041 -99.200 -91.000 PHE 134 1.000 -39.804 -22.091 21.443 -99.200 -91.000 HIS 147 0.900 -45.758 -27.153 21.230 -99.200 -91.000 TYR 153 0.840 -47.632 -16.754 33.735 -99.200 -91.000 PHE 159 1.000 -35.794 -7.525 29.830 -99.200 -91.000 PHE 162 1.000 -29.461 -9.129 29.426 -99.200 -91.000 PHE 167 1.000 -29.372 -1.211 34.000 -99.200 -91.000 TYR 171 0.840 -26.627 1.444 37.862 -99.200 -91.000