============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 6 1.000 -6.569 5.756 -26.976 -99.200 -91.000 PHE 7 1.000 -4.099 8.924 -19.922 -99.200 -91.000 PHE 21 1.000 -4.951 4.837 -17.391 -99.200 -91.000 PHE 24 1.000 -11.793 0.279 -10.590 -99.200 -91.000 PHE 35 1.000 -8.362 9.219 -16.234 -99.200 -91.000 PHE 45 1.000 -12.751 21.355 -20.125 -99.200 -91.000 TYR 47 0.840 -6.881 13.793 -18.062 -99.200 -91.000 PHE 52 1.000 1.260 10.544 -16.937 -99.200 -91.000 HIS 53 0.900 2.595 17.481 -12.411 -99.200 -91.000 PHE 59 1.000 4.334 8.520 -3.741 -99.200 -91.000 PHE 66 1.000 -7.184 20.242 -18.616 -99.200 -91.000 HIS 69 0.900 1.015 22.898 -19.705 -99.200 -91.000 TYR 78 0.840 -18.359 16.413 -12.831 -99.200 -91.000 PHE 82 1.000 -14.632 15.765 -9.357 -99.200 -91.000 PHE 87 1.000 -12.124 9.727 0.462 -99.200 -91.000 HIS 91 0.900 -5.047 5.440 -2.633 -99.200 -91.000 PHE 111 1.000 -3.867 11.267 -14.681 -99.200 -91.000 PHE 112 1.000 -2.339 9.219 -6.487 -99.200 -91.000 TRP 120 1.040 1.108 7.485 1.999 -99.200 -91.000 TRP6 120 1.020 2.485 5.783 1.119 -99.200 -91.000 HIS 125 0.900 -4.625 12.018 -2.439 -99.200 -91.000 PHE 128 1.000 -9.881 8.274 -11.354 -99.200 -91.000 PHE 144 1.000 12.423 7.695 -19.946 -99.200 -91.000