============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 15.057 18.022 14.035 -99.200 -91.000 TRP6 14 1.020 13.727 19.182 15.607 -99.200 -91.000 TRP 35 1.040 19.697 27.853 2.592 -99.200 -91.000 TRP6 35 1.020 21.504 27.602 1.101 -99.200 -91.000 HIS 41 0.900 31.387 11.247 6.407 -99.200 -91.000 PHE 43 1.000 26.756 15.424 -0.091 -99.200 -91.000 TRP 49 1.040 28.975 15.737 -8.098 -99.200 -91.000 TRP6 49 1.020 29.332 16.165 -5.808 -99.200 -91.000 HIS 59 0.900 8.510 6.703 11.697 -99.200 -91.000 HIS 64 0.900 7.119 6.100 -0.868 -99.200 -91.000 TYR 82 0.840 35.856 16.774 3.685 -99.200 -91.000 HIS 89 0.900 37.912 22.651 8.951 -99.200 -91.000 HIS 97 0.900 14.801 22.873 -8.908 -99.200 -91.000 HIS 105 0.900 3.457 14.076 10.479 -99.200 -91.000 PHE 116 1.000 21.284 29.359 23.325 -99.200 -91.000 PHE 123 1.000 29.703 24.423 29.202 -99.200 -91.000 PHE 126 1.000 22.279 12.174 29.219 -99.200 -91.000 TRP 132 1.040 15.225 6.169 8.211 -99.200 -91.000 TRP6 132 1.020 15.309 8.484 7.761 -99.200 -91.000 TYR 170 0.840 38.018 23.964 13.134 -99.200 -91.000 PHE 172 1.000 29.760 17.746 19.766 -99.200 -91.000 TYR 176 0.840 25.693 6.261 26.753 -99.200 -91.000 HIS 192 0.900 24.988 16.391 19.555 -99.200 -91.000 HIS 195 0.900 13.892 20.180 24.905 -99.200 -91.000 TYR 196 0.840 19.048 26.680 27.547 -99.200 -91.000 TRP 200 1.040 13.868 19.713 20.787 -99.200 -91.000 TRP6 200 1.020 15.160 17.972 21.702 -99.200 -91.000 TYR 201 0.840 18.262 26.610 20.428 -99.200 -91.000 TRP 208 1.040 35.655 11.545 13.170 -99.200 -91.000 TRP6 208 1.020 37.327 10.420 14.404 -99.200 -91.000 HIS 217 0.900 37.872 3.230 20.493 -99.200 -91.000 PHE 218 1.000 33.665 8.440 25.470 -99.200 -91.000 TYR 221 0.840 27.923 12.621 17.581 -99.200 -91.000 TYR 227 0.840 32.778 23.993 10.707 -99.200 -91.000 TRP 230 1.040 31.986 28.266 5.619 -99.200 -91.000 TRP6 230 1.020 31.074 26.202 4.928 -99.200 -91.000 PHE 249 1.000 35.736 27.378 8.821 -99.200 -91.000