============================================================================= 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. HIS 4 0.900 -0.813 4.151 17.668 -99.200 -91.000 PHE 27 1.000 3.086 8.597 14.879 -99.200 -91.000 PHE 57 1.000 10.729 21.830 23.477 -99.200 -91.000 HIS 58 0.900 10.743 16.234 27.830 -99.200 -91.000 PHE 74 1.000 6.627 13.973 27.944 -99.200 -91.000 TYR 79 0.840 2.693 10.465 24.624 -99.200 -91.000 PHE 93 1.000 34.242 20.457 15.407 -99.200 -91.000 PHE 101 1.000 41.088 14.698 12.327 -99.200 -91.000 HIS 102 0.900 43.739 16.571 20.005 -99.200 -91.000 PHE 113 1.000 29.077 4.722 18.619 -99.200 -91.000 PHE 114 1.000 31.144 6.808 22.473 -99.200 -91.000 PHE 156 1.000 34.247 0.016 11.712 -99.200 -91.000 PHE 173 1.000 38.607 8.592 13.868 -99.200 -91.000 HIS 182 0.900 44.008 10.159 12.230 -99.200 -91.000 TRP 187 1.040 41.116 4.195 13.274 -99.200 -91.000 TRP6 187 1.020 38.927 3.356 13.567 -99.200 -91.000 TYR 192 0.840 29.373 14.012 9.232 -99.200 -91.000 HIS 206 0.900 21.196 -0.210 18.956 -99.200 -91.000 TRP 228 1.040 25.411 18.775 -0.039 -99.200 -91.000 TRP6 228 1.020 26.129 19.898 -1.982 -99.200 -91.000 TYR 251 0.840 10.536 4.080 2.476 -99.200 -91.000 HIS 263 0.900 14.837 -4.990 11.625 -99.200 -91.000 PHE 266 1.000 23.577 4.538 4.513 -99.200 -91.000 TRP 275 1.040 28.011 -1.583 6.457 -99.200 -91.000 TRP6 275 1.020 28.545 0.720 6.524 -99.200 -91.000