============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 13.426 9.389 26.723 -99.200 -91.000 TYR 14 0.840 24.609 10.369 19.047 -99.200 -91.000 TYR 22 0.840 19.062 32.886 17.538 -99.200 -91.000 HIS 23 0.900 19.507 24.533 20.005 -99.200 -91.000 PHE 24 1.000 21.419 28.145 14.095 -99.200 -91.000 TRP 34 1.040 35.460 17.243 9.164 -99.200 -91.000 TRP6 34 1.020 34.726 18.767 7.473 -99.200 -91.000 HIS 40 0.900 16.273 23.162 7.730 -99.200 -91.000 TYR 42 0.840 25.833 28.995 4.901 -99.200 -91.000 PHE 64 1.000 29.965 26.273 25.535 -99.200 -91.000 HIS 73 0.900 24.561 16.951 -1.798 -99.200 -91.000 TYR 76 0.840 19.206 23.283 1.078 -99.200 -91.000 TRP 121 1.040 19.433 21.144 24.334 -99.200 -91.000 TRP6 121 1.020 21.284 20.244 23.145 -99.200 -91.000 TYR 131 0.840 11.978 27.269 21.133 -99.200 -91.000 TYR 152 0.840 4.713 15.272 5.565 -99.200 -91.000 PHE 161 1.000 14.637 8.455 7.871 -99.200 -91.000 TYR 165 0.840 5.449 7.108 17.843 -99.200 -91.000 TRP 193 1.040 10.736 18.307 4.910 -99.200 -91.000 TRP6 193 1.020 8.464 18.075 4.150 -99.200 -91.000 TYR 206 0.840 12.951 12.728 11.262 -99.200 -91.000 TYR 212 0.840 22.466 12.893 0.976 -99.200 -91.000 TRP 215 1.040 28.868 15.657 -0.609 -99.200 -91.000 TRP6 215 1.020 28.155 16.785 1.354 -99.200 -91.000