============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 5 0.840 -22.429 9.356 48.467 -99.200 -91.000 TYR 20 0.840 -17.370 8.354 44.723 -99.200 -91.000 PHE 22 1.000 -22.858 3.063 35.565 -99.200 -91.000 TRP 27 1.040 -31.801 17.401 30.461 -99.200 -91.000 TRP6 27 1.020 -30.846 18.466 28.575 -99.200 -91.000 TYR 33 0.840 -25.806 28.730 18.140 -99.200 -91.000 TRP 40 1.040 -30.600 27.403 16.104 -99.200 -91.000 TRP6 40 1.020 -29.666 25.370 16.880 -99.200 -91.000 PHE 49 1.000 -23.843 6.607 30.704 -99.200 -91.000 TYR 54 0.840 -13.900 13.112 36.715 -99.200 -91.000 HIS 56 0.900 -18.219 10.949 32.336 -99.200 -91.000 PHE 62 1.000 -27.809 19.244 18.683 -99.200 -91.000 PHE 65 1.000 -34.202 25.227 12.252 -99.200 -91.000 PHE 77 1.000 -28.115 19.388 32.463 -99.200 -91.000 PHE 94 1.000 -16.250 23.919 36.624 -99.200 -91.000 HIS 95 0.900 -19.634 25.116 44.180 -99.200 -91.000 TYR 101 0.840 -13.372 20.303 33.176 -99.200 -91.000 TYR 118 0.840 -19.919 17.098 7.856 -99.200 -91.000 TRP 124 1.040 -14.877 27.081 26.366 -99.200 -91.000 TRP6 124 1.020 -13.923 27.903 24.353 -99.200 -91.000 TRP 128 1.040 -25.102 23.908 36.513 -99.200 -91.000 TRP6 128 1.020 -25.950 24.750 38.554 -99.200 -91.000 HIS 145 0.900 -24.610 28.179 8.878 -99.200 -91.000 TRP 150 1.040 -25.476 21.584 16.010 -99.200 -91.000 TRP6 150 1.020 -24.102 22.752 17.543 -99.200 -91.000 TYR 157 0.840 -20.440 19.444 34.332 -99.200 -91.000 PHE 161 1.000 -16.687 17.736 47.172 -99.200 -91.000