============================================================================= 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. TYR 5 0.840 -13.024 -8.724 -24.433 -99.200 -91.000 PHE 25 1.000 -10.620 -13.696 -14.932 -99.200 -91.000 PHE 37 1.000 -25.217 -5.675 -18.371 -99.200 -91.000 HIS 39 0.900 -28.117 -5.381 -27.970 -99.200 -91.000 HIS 48 0.900 -14.457 -11.979 -29.946 -99.200 -91.000 TYR 49 0.840 -17.498 -14.942 -31.507 -99.200 -91.000 HIS 52 0.900 -14.551 -19.290 -35.312 -99.200 -91.000 PHE 57 1.000 -18.927 -23.280 -36.276 -99.200 -91.000 PHE 58 1.000 -19.484 -15.029 -39.161 -99.200 -91.000 PHE 64 1.000 -25.420 -17.358 -27.022 -99.200 -91.000 HIS 67 0.900 -31.411 -11.000 -28.085 -99.200 -91.000 PHE 71 1.000 -19.060 -6.715 -16.241 -99.200 -91.000 TRP 75 1.040 -10.163 -9.028 -15.395 -99.200 -91.000 TRP6 75 1.020 -10.222 -8.339 -13.120 -99.200 -91.000 PHE 105 1.000 -20.109 -21.082 -11.026 -99.200 -91.000 PHE 111 1.000 -26.677 -22.550 -24.533 -99.200 -91.000 HIS 115 0.900 -12.992 -14.657 -25.692 -99.200 -91.000 TRP 130 1.040 -14.908 -7.564 -27.907 -99.200 -91.000 TRP6 130 1.020 -17.255 -7.880 -27.968 -99.200 -91.000 PHE 131 1.000 -13.516 -2.718 -22.264 -99.200 -91.000 TRP 139 1.040 -6.623 0.808 -11.282 -99.200 -91.000 TRP6 139 1.020 -6.990 -0.323 -9.227 -99.200 -91.000 TRP 146 1.040 2.607 -6.036 0.233 -99.200 -91.000 TRP6 146 1.020 4.359 -7.003 1.523 -99.200 -91.000 TYR 148 0.840 1.191 -7.874 -10.866 -99.200 -91.000