============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.679 -12.873 8.747 -99.200 -91.000 TYR 11 0.840 7.691 -31.509 16.104 -99.200 -91.000 TRP 14 1.040 18.603 -29.106 18.193 -99.200 -91.000 TRP6 14 1.020 17.117 -30.891 18.652 -99.200 -91.000 TRP 37 1.040 18.259 -17.892 18.365 -99.200 -91.000 TRP6 37 1.020 19.007 -19.094 16.473 -99.200 -91.000 TRP 51 1.040 17.314 -26.098 7.636 -99.200 -91.000 TRP6 51 1.020 19.002 -24.565 6.960 -99.200 -91.000 TYR 57 0.840 19.967 -37.859 19.675 -99.200 -91.000 PHE 58 1.000 23.444 -30.681 16.662 -99.200 -91.000 PHE 80 1.000 21.316 -22.602 1.455 -99.200 -91.000 PHE 90 1.000 15.975 -15.124 5.011 -99.200 -91.000 TYR 95 0.840 18.854 -4.107 -8.120 -99.200 -91.000 TYR 99 0.840 11.735 -8.785 -4.230 -99.200 -91.000 PHE 108 1.000 5.588 -29.873 5.657 -99.200 -91.000 PHE 114 1.000 10.021 -15.706 5.769 -99.200 -91.000 PHE 152 1.000 10.973 -41.381 -7.758 -99.200 -91.000 TYR 157 0.840 10.009 -36.503 -10.736 -99.200 -91.000 TYR 169 0.840 6.181 -38.637 -7.219 -99.200 -91.000 PHE 172 1.000 1.630 -34.579 -0.879 -99.200 -91.000 PHE 173 1.000 6.065 -32.104 -1.624 -99.200 -91.000 PHE 181 1.000 8.523 -20.205 -5.541 -99.200 -91.000 TYR 183 0.840 6.715 -26.822 -11.351 -99.200 -91.000 TYR 199 0.840 10.857 -10.339 6.662 -99.200 -91.000 PHE 203 1.000 10.857 -23.585 12.639 -99.200 -91.000