data_nef_c19300_2m9l save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 2 CYS SG 1 16 CYS SG 1 9 CYS SG 1 21 CYS SG 1 15 CYS SG 1 28 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLU start . . 2 A 2 CYS middle -HG . 3 A 3 ARG middle . . 4 A 4 TYR middle . . 5 A 5 TRP middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 ALA middle . . 12 A 12 GLY middle . false 13 A 13 GLN middle . . 14 A 14 THR middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 LYS middle . . 18 A 18 HIS middle . . 19 A 19 LEU middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 SER middle . . 23 A 23 ARG middle . . 24 A 24 ARG middle . . 25 A 25 HIS middle . . 26 A 26 GLY middle . false 27 A 27 TRP middle . . 28 A 28 CYS middle -HG . 29 A 29 VAL middle . . 30 A 30 TRP middle . . 31 A 31 ASP middle . . 32 A 32 GLY middle . false 33 A 33 THR middle . . 34 A 34 PHE middle . . 35 A 35 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLU HA H 1 4.152 0.020 A 1 GLU HB2 H 1 2.165 0.020 A 1 GLU HB3 H 1 2.165 0.020 A 1 GLU HG2 H 1 2.520 0.020 A 1 GLU HG3 H 1 2.520 0.020 A 1 GLU CA C 13 55.261 0.400 A 1 GLU CB C 13 29.746 0.400 A 1 GLU CG C 13 34.131 0.400 A 2 CYS H H 1 8.701 0.020 A 2 CYS HA H 1 4.824 0.020 A 2 CYS HBx H 1 2.813 0.020 A 2 CYS HBy H 1 3.019 0.020 A 2 CYS N N 15 120.737 0.400 A 3 ARG H H 1 8.970 0.020 A 3 ARG HA H 1 4.378 0.020 A 3 ARG HBx H 1 1.576 0.020 A 3 ARG HBy H 1 1.849 0.020 A 3 ARG HGx H 1 1.567 0.020 A 3 ARG HGy H 1 1.894 0.020 A 3 ARG CA C 13 58.154 0.400 A 3 ARG CB C 13 31.725 0.400 A 3 ARG CG C 13 26.675 0.400 A 3 ARG N N 15 120.701 0.400 A 4 TYR H H 1 8.190 0.020 A 4 TYR HA H 1 4.290 0.020 A 4 TYR HBx H 1 2.984 0.020 A 4 TYR HBy H 1 3.233 0.020 A 4 TYR HD1 H 1 7.221 0.020 A 4 TYR HD2 H 1 7.221 0.020 A 4 TYR HE1 H 1 7.015 0.020 A 4 TYR HE2 H 1 7.015 0.020 A 4 TYR CA C 13 56.336 0.400 A 4 TYR CB C 13 39.097 0.400 A 4 TYR N N 15 122.006 0.400 A 5 TRP HA H 1 3.614 0.020 A 5 TRP HBx H 1 2.355 0.020 A 5 TRP HBy H 1 2.901 0.020 A 5 TRP HD1 H 1 6.695 0.020 A 5 TRP HE1 H 1 10.585 0.020 A 5 TRP HE3 H 1 7.453 0.020 A 5 TRP HH2 H 1 7.528 0.020 A 5 TRP HZ2 H 1 7.247 0.020 A 5 TRP HZ3 H 1 7.151 0.020 A 5 TRP CA C 13 59.486 0.400 A 5 TRP CB C 13 28.660 0.400 A 6 LEU H H 1 8.701 0.020 A 6 LEU HA H 1 2.960 0.020 A 6 LEU HBx H 1 0.614 0.020 A 6 LEU HBy H 1 1.266 0.020 A 6 LEU HDx% H 1 -0.541 0.020 A 6 LEU HDy% H 1 -0.360 0.020 A 6 LEU HG H 1 -0.758 0.020 A 6 LEU CA C 13 57.019 0.400 A 6 LEU CB C 13 38.251 0.400 A 6 LEU CD1 C 13 20.844 0.400 A 6 LEU CD2 C 13 23.869 0.400 A 6 LEU CG C 13 25.483 0.400 A 6 LEU N N 15 121.148 0.400 A 7 GLY H H 1 8.947 0.020 A 7 GLY HAx H 1 3.333 0.020 A 7 GLY HAy H 1 4.038 0.020 A 7 GLY CA C 13 44.810 0.400 A 7 GLY N N 15 110.200 0.400 A 8 GLY H H 1 8.699 0.020 A 8 GLY HAx H 1 3.826 0.020 A 8 GLY HAy H 1 4.322 0.020 A 8 GLY CA C 13 46.602 0.400 A 8 GLY N N 15 110.973 0.400 A 9 CYS H H 1 8.407 0.020 A 9 CYS HA H 1 5.212 0.020 A 9 CYS HBx H 1 2.948 0.020 A 9 CYS HBy H 1 3.404 0.020 A 9 CYS CA C 13 55.180 0.400 A 9 CYS CB C 13 44.919 0.400 A 9 CYS N N 15 117.019 0.400 A 10 SER H H 1 8.180 0.020 A 10 SER HA H 1 4.384 0.020 A 10 SER HBx H 1 4.003 0.020 A 10 SER HBy H 1 4.102 0.020 A 10 SER CA C 13 59.172 0.400 A 10 SER CB C 13 63.793 0.400 A 10 SER N N 15 116.524 0.400 A 11 ALA H H 1 8.648 0.020 A 11 ALA HA H 1 4.459 0.020 A 11 ALA HB% H 1 1.340 0.020 A 11 ALA CA C 13 52.665 0.400 A 11 ALA CB C 13 18.186 0.400 A 11 ALA N N 15 124.635 0.400 A 12 GLY H H 1 8.060 0.020 A 12 GLY HAx H 1 3.801 0.020 A 12 GLY HAy H 1 4.029 0.020 A 12 GLY CA C 13 45.331 0.400 A 12 GLY N N 15 106.219 0.400 A 13 GLN H H 1 8.394 0.020 A 13 GLN HA H 1 4.311 0.020 A 13 GLN HB2 H 1 1.979 0.020 A 13 GLN HB3 H 1 1.979 0.020 A 13 GLN HE2x H 1 6.882 0.020 A 13 GLN HE2y H 1 7.403 0.020 A 13 GLN HGy H 1 2.377 0.020 A 13 GLN HGx H 1 2.263 0.020 A 13 GLN CA C 13 56.154 0.400 A 13 GLN CB C 13 28.679 0.400 A 13 GLN CG C 13 33.644 0.400 A 13 GLN N N 15 121.578 0.400 A 14 THR H H 1 8.310 0.020 A 14 THR HA H 1 4.359 0.020 A 14 THR HB H 1 4.080 0.020 A 14 THR HG2% H 1 1.234 0.020 A 14 THR CA C 13 61.622 0.400 A 14 THR CB C 13 70.762 0.400 A 14 THR CG2 C 13 21.964 0.400 A 14 THR N N 15 115.982 0.400 A 15 CYS H H 1 8.996 0.020 A 15 CYS HA H 1 5.058 0.020 A 15 CYS HBx H 1 2.510 0.020 A 15 CYS HBy H 1 3.024 0.020 A 15 CYS CA C 13 54.875 0.400 A 15 CYS CB C 13 41.213 0.400 A 15 CYS N N 15 123.244 0.400 A 16 CYS H H 1 9.380 0.020 A 16 CYS HA H 1 4.554 0.020 A 16 CYS HBx H 1 2.392 0.020 A 16 CYS HBy H 1 3.442 0.020 A 16 CYS CA C 13 53.810 0.400 A 16 CYS CB C 13 39.668 0.400 A 16 CYS N N 15 121.708 0.400 A 17 LYS H H 1 7.931 0.020 A 17 LYS HA H 1 3.981 0.020 A 17 LYS HBx H 1 1.504 0.020 A 17 LYS HBy H 1 1.689 0.020 A 17 LYS HE2 H 1 2.911 0.020 A 17 LYS HE3 H 1 2.911 0.020 A 17 LYS HGx H 1 0.992 0.020 A 17 LYS HGy H 1 1.233 0.020 A 17 LYS CA C 13 58.334 0.400 A 17 LYS CB C 13 32.515 0.400 A 17 LYS CE C 13 42.033 0.400 A 17 LYS CG C 13 24.558 0.400 A 17 LYS N N 15 117.934 0.400 A 18 HIS H H 1 8.601 0.020 A 18 HIS HA H 1 4.380 0.020 A 18 HIS HBx H 1 3.685 0.020 A 18 HIS HBy H 1 4.062 0.020 A 18 HIS HD2 H 1 7.264 0.020 A 18 HIS HE1 H 1 8.648 0.020 A 18 HIS CA C 13 54.449 0.400 A 18 HIS CB C 13 26.835 0.400 A 18 HIS N N 15 112.381 0.400 A 19 LEU H H 1 8.094 0.020 A 19 LEU HA H 1 5.299 0.020 A 19 LEU HBy H 1 2.135 0.020 A 19 LEU HBx H 1 1.113 0.020 A 19 LEU HD1% H 1 0.582 0.020 A 19 LEU HD2% H 1 0.582 0.020 A 19 LEU HG H 1 1.223 0.020 A 19 LEU CA C 13 54.023 0.400 A 19 LEU CB C 13 45.355 0.400 A 19 LEU CD1 C 13 27.336 0.400 A 19 LEU CD2 C 13 27.336 0.400 A 19 LEU CG C 13 27.026 0.400 A 19 LEU N N 15 119.252 0.400 A 20 VAL H H 1 9.548 0.020 A 20 VAL HA H 1 4.508 0.020 A 20 VAL HB H 1 2.042 0.020 A 20 VAL HG1% H 1 0.870 0.020 A 20 VAL HG2% H 1 0.870 0.020 A 20 VAL CA C 13 59.261 0.400 A 20 VAL CB C 13 35.903 0.400 A 20 VAL N N 15 116.729 0.400 A 21 CYS H H 1 8.936 0.020 A 21 CYS HA H 1 4.603 0.020 A 21 CYS HBx H 1 2.830 0.020 A 21 CYS HBy H 1 3.029 0.020 A 21 CYS CA C 13 55.401 0.400 A 21 CYS CB C 13 39.360 0.400 A 21 CYS N N 15 123.437 0.400 A 22 SER H H 1 8.349 0.020 A 22 SER HA H 1 4.458 0.020 A 22 SER HBx H 1 3.906 0.020 A 22 SER HBy H 1 4.206 0.020 A 22 SER CA C 13 57.364 0.400 A 22 SER CB C 13 63.430 0.400 A 22 SER N N 15 124.898 0.400 A 23 ARG H H 1 9.009 0.020 A 23 ARG HA H 1 4.002 0.020 A 23 ARG HBx H 1 1.800 0.020 A 23 ARG HBy H 1 1.804 0.020 A 23 ARG HD2 H 1 3.168 0.020 A 23 ARG HD3 H 1 3.168 0.020 A 23 ARG HE H 1 7.186 0.020 A 23 ARG HGx H 1 1.611 0.020 A 23 ARG HGy H 1 1.695 0.020 A 23 ARG CA C 13 58.531 0.400 A 23 ARG CB C 13 29.601 0.400 A 23 ARG CD C 13 43.039 0.400 A 23 ARG CG C 13 27.381 0.400 A 23 ARG N N 15 132.391 0.400 A 24 ARG H H 1 7.945 0.020 A 24 ARG HA H 1 3.924 0.020 A 24 ARG HBx H 1 1.132 0.020 A 24 ARG HBy H 1 1.471 0.020 A 24 ARG HD2 H 1 2.962 0.020 A 24 ARG HD3 H 1 2.962 0.020 A 24 ARG HE H 1 7.135 0.020 A 24 ARG HGx H 1 1.044 0.020 A 24 ARG HGy H 1 1.132 0.020 A 24 ARG CA C 13 57.748 0.400 A 24 ARG CB C 13 30.406 0.400 A 24 ARG CD C 13 42.794 0.400 A 24 ARG CG C 13 26.802 0.400 A 24 ARG N N 15 117.241 0.400 A 25 HIS H H 1 7.326 0.020 A 25 HIS HA H 1 4.229 0.020 A 25 HIS HBx H 1 0.687 0.020 A 25 HIS HBy H 1 1.267 0.020 A 25 HIS HD2 H 1 6.967 0.020 A 25 HIS HE1 H 1 8.610 0.020 A 25 HIS CA C 13 54.951 0.400 A 25 HIS CB C 13 27.979 0.400 A 25 HIS N N 15 111.143 0.400 A 26 GLY H H 1 8.257 0.020 A 26 GLY HAx H 1 3.680 0.020 A 26 GLY HAy H 1 3.938 0.020 A 26 GLY CA C 13 46.592 0.400 A 26 GLY N N 15 106.585 0.400 A 27 TRP H H 1 6.816 0.020 A 27 TRP HA H 1 5.585 0.020 A 27 TRP HBx H 1 2.547 0.020 A 27 TRP HBy H 1 3.005 0.020 A 27 TRP HD1 H 1 6.805 0.020 A 27 TRP HE1 H 1 10.074 0.020 A 27 TRP HE3 H 1 7.379 0.020 A 27 TRP HH2 H 1 6.796 0.020 A 27 TRP HZ2 H 1 6.967 0.020 A 27 TRP HZ3 H 1 7.080 0.020 A 27 TRP CA C 13 54.798 0.400 A 27 TRP CB C 13 30.816 0.400 A 27 TRP N N 15 114.076 0.400 A 28 CYS H H 1 8.856 0.020 A 28 CYS HA H 1 5.028 0.020 A 28 CYS HBx H 1 2.627 0.020 A 28 CYS HBy H 1 3.114 0.020 A 28 CYS CA C 13 56.147 0.400 A 28 CYS CB C 13 41.586 0.400 A 28 CYS N N 15 120.417 0.400 A 29 VAL H H 1 9.648 0.020 A 29 VAL HA H 1 4.928 0.020 A 29 VAL HB H 1 2.627 0.020 A 29 VAL HGx% H 1 1.256 0.020 A 29 VAL HGy% H 1 0.992 0.020 A 29 VAL CA C 13 59.347 0.400 A 29 VAL CB C 13 35.527 0.400 A 29 VAL CG1 C 13 22.968 0.400 A 29 VAL CG2 C 13 18.687 0.400 A 29 VAL N N 15 117.638 0.400 A 30 TRP H H 1 7.875 0.020 A 30 TRP HA H 1 4.894 0.020 A 30 TRP HBx H 1 3.051 0.020 A 30 TRP HBy H 1 3.497 0.020 A 30 TRP HD1 H 1 6.987 0.020 A 30 TRP HE1 H 1 8.330 0.020 A 30 TRP HE3 H 1 7.725 0.020 A 30 TRP HZ3 H 1 7.014 0.020 A 30 TRP CA C 13 58.193 0.400 A 30 TRP CB C 13 29.880 0.400 A 30 TRP N N 15 120.857 0.400 A 31 ASP H H 1 8.813 0.020 A 31 ASP HA H 1 4.524 0.020 A 31 ASP HBx H 1 2.625 0.020 A 31 ASP HBy H 1 2.735 0.020 A 31 ASP CA C 13 54.155 0.400 A 31 ASP CB C 13 40.532 0.400 A 31 ASP N N 15 122.575 0.400 A 32 GLY H H 1 8.070 0.020 A 32 GLY HAx H 1 3.692 0.020 A 32 GLY HAy H 1 4.094 0.020 A 32 GLY CA C 13 45.732 0.400 A 33 THR H H 1 8.040 0.020 A 33 THR HA H 1 4.311 0.020 A 33 THR HB H 1 4.232 0.020 A 33 THR HG2% H 1 1.160 0.020 A 33 THR CA C 13 62.204 0.400 A 33 THR CB C 13 70.173 0.400 A 33 THR N N 15 113.474 0.400 A 34 PHE H H 1 8.282 0.020 A 34 PHE HA H 1 4.570 0.020 A 34 PHE HBx H 1 2.946 0.020 A 34 PHE HBy H 1 3.134 0.020 A 34 PHE HD1 H 1 7.135 0.020 A 34 PHE HD2 H 1 7.135 0.020 A 34 PHE HE1 H 1 7.238 0.020 A 34 PHE HE2 H 1 7.238 0.020 A 34 PHE CA C 13 57.902 0.400 A 34 PHE CB C 13 39.674 0.400 A 34 PHE N N 15 121.941 0.400 A 35 SER H H 1 7.744 0.020 A 35 SER HA H 1 4.198 0.020 A 35 SER HB2 H 1 3.821 0.020 A 35 SER HB3 H 1 3.821 0.020 A 35 SER CA C 13 59.509 0.400 A 35 SER CB C 13 64.940 0.400 A 35 SER N N 15 121.143 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 14 THR H A 14 THR HB 1.0 . 3.07 2 2 A 8 GLY HAx A 9 CYS H 1.0 . 2.73 3 3 A 11 ALA H A 11 ALA HB% 1.0 . 2.71 4 4 A 15 CYS H A 15 CYS HBy 1.0 . 3.84 5 5 A 15 CYS H A 15 CYS HBx 1.0 . 2.91 6 6 A 16 CYS H A 16 CYS HBy 1.0 . 3.79 7 7 A 16 CYS H A 16 CYS HBx 1.0 . 3.01 8 8 A 18 HIS H A 18 HIS HA 1.0 . 2.58 9 9 A 33 THR H A 33 THR HG2% 1.0 . 3.17 10 10 A 33 THR H A 33 THR HB 1.0 . 3.94 11 11 A 34 PHE H A 34 PHE HBx 1.0 . 3.75 12 12 A 34 PHE H A 34 PHE HBy 1.0 . 3.13 13 13 A 35 SER H A 35 SER HB2 1.0 . 3.43 14 13 A 35 SER H A 35 SER HB3 1.0 . 3.43 15 14 A 10 SER HBy A 12 GLY H 1.0 . 3.29 16 15 A 31 ASP H A 31 ASP HBx 1.0 . 3.19 17 16 A 31 ASP H A 31 ASP HBy 1.0 . 3.02 18 17 A 20 VAL H A 20 VAL HB 1.0 . 3.91 19 18 A 20 VAL H A 20 VAL HG1% 1.0 . 2.77 20 18 A 20 VAL H A 20 VAL HG2% 1.0 . 2.77 21 19 A 19 LEU H A 19 LEU HD1% 1.0 . 3.70 22 19 A 19 LEU H A 19 LEU HD2% 1.0 . 3.70 23 20 A 19 LEU H A 19 LEU HBx 1.0 . 3.96 24 21 A 19 LEU H A 19 LEU HG 1.0 . 3.30 25 22 A 19 LEU H A 19 LEU HBy 1.0 . 2.98 26 23 A 21 CYS H A 21 CYS HBx 1.0 . 2.86 27 24 A 21 CYS H A 21 CYS HBy 1.0 . 2.86 28 25 A 22 SER H A 22 SER HBx 1.0 . 3.05 29 26 A 22 SER H A 22 SER HBy 1.0 . 2.87 30 27 A 23 ARG H A 23 ARG HGx 1.0 . 3.70 31 28 A 23 ARG H A 23 ARG HGy 1.0 . 3.70 32 29 A 23 ARG HE A 23 ARG HBx 1.0 . 5.28 33 30 A 23 ARG HE A 23 ARG HBy 1.0 . 5.28 34 31 A 6 LEU H A 6 LEU HA 1.0 . 2.64 35 32 A 30 TRP H A 30 TRP HBx 1.0 . 3.10 36 33 A 30 TRP H A 30 TRP HBy 1.0 . 3.62 37 34 A 30 TRP H A 30 TRP HA 1.0 . 2.87 38 35 A 28 CYS HBy A 29 VAL H 1.0 . 3.53 39 36 A 29 VAL H A 29 VAL HGx% 1.0 . 3.25 40 37 A 29 VAL H A 29 VAL HGy% 1.0 . 2.65 41 38 A 28 CYS H A 28 CYS HBx 1.0 . 2.94 42 39 A 28 CYS HBy A 28 CYS H 1.0 . 3.80 43 40 A 27 TRP H A 27 TRP HBy 1.0 . 3.64 44 41 A 27 TRP HBx A 27 TRP HD1 1.0 . 3.49 45 42 A 26 GLY H A 26 GLY HAy 1.0 . 2.94 46 43 A 26 GLY H A 26 GLY HAx 1.0 . 2.74 47 44 A 25 HIS H A 25 HIS HBx 1.0 . 3.18 48 45 A 25 HIS H A 25 HIS HBy 1.0 . 3.79 49 46 A 3 ARG HA A 4 TYR H 1.0 . 2.43 50 47 A 10 SER HBy A 10 SER H 1.0 . 3.55 51 48 A 10 SER H A 10 SER HBx 1.0 . 3.25 52 49 A 9 CYS H A 9 CYS HBy 1.0 . 3.97 53 50 A 9 CYS H A 9 CYS HBx 1.0 . 3.97 54 51 A 7 GLY H A 7 GLY HAy 1.0 . 2.74 55 52 A 2 CYS H A 2 CYS HBx 1.0 . 3.80 56 53 A 2 CYS H A 2 CYS HBy 1.0 . 3.30 57 54 A 3 ARG H A 3 ARG HBx 1.0 . 2.89 58 55 A 3 ARG H A 3 ARG HGy 1.0 . 3.41 59 56 A 4 TYR H A 4 TYR HBy 1.0 . 3.06 60 57 A 4 TYR H A 4 TYR HBx 1.0 . 3.76 61 58 A 3 ARG H A 3 ARG HGx 1.0 . 3.23 62 59 A 6 LEU H A 6 LEU HBx 1.0 . 4.13 63 60 A 6 LEU H A 29 VAL HGx% 1.0 . 4.57 64 61 A 6 LEU H A 6 LEU HBy 1.0 . 4.18 65 62 A 6 LEU H A 6 LEU HDx% 1.0 . 4.49 66 63 A 6 LEU H A 6 LEU HDy% 1.0 . 3.28 67 64 A 6 LEU H A 6 LEU HG 1.0 . 3.83 68 65 A 13 GLN H A 13 GLN HGy 1.0 . 4.54 69 66 A 13 GLN H A 13 GLN HGx 1.0 . 3.66 70 67 A 13 GLN H A 13 GLN HB2 1.0 . 3.00 71 67 A 13 GLN H A 13 GLN HB3 1.0 . 3.00 72 68 A 13 GLN HGy A 13 GLN HE2x 1.0 . 3.06 73 69 A 17 LYS H A 17 LYS HBy 1.0 . 2.90 74 70 A 17 LYS H A 17 LYS HBx 1.0 . 2.69 75 71 A 17 LYS HBx A 17 LYS HE2 1.0 . 5.50 76 71 A 17 LYS HBx A 17 LYS HE3 1.0 . 5.50 77 72 A 17 LYS HBy A 17 LYS HE2 1.0 . 5.18 78 72 A 17 LYS HBy A 17 LYS HE3 1.0 . 5.18 79 73 A 17 LYS HE2 A 17 LYS HGy 1.0 . 4.06 80 73 A 17 LYS HE3 A 17 LYS HGy 1.0 . 4.06 81 74 A 17 LYS HE3 A 17 LYS HGx 1.0 . 4.06 82 74 A 17 LYS HGx A 17 LYS HE2 1.0 . 4.06 83 75 A 24 ARG HBx A 24 ARG HE 1.0 . 4.87 84 76 A 24 ARG HE A 24 ARG HBy 1.0 . 4.54 85 77 A 24 ARG HBx A 24 ARG H 1.0 . 2.87 86 78 A 27 TRP HA A 27 TRP HE3 1.0 . 4.86 87 79 A 5 TRP HE1 A 29 VAL HA 1.0 . 3.79 88 80 A 16 CYS H A 15 CYS HA 1.0 . 2.65 89 81 A 29 VAL H A 28 CYS HA 1.0 . 2.56 90 82 A 20 VAL H A 30 TRP HA 1.0 . 4.43 91 83 A 20 VAL H A 28 CYS HA 1.0 . 4.31 92 84 A 29 VAL H A 21 CYS HA 1.0 . 4.17 93 85 A 29 VAL HGx% A 5 TRP HE1 1.0 . 4.04 94 86 A 29 VAL HGx% A 27 TRP HE1 1.0 . 2.79 95 87 A 19 LEU HBx A 29 VAL H 1.0 . 4.03 96 88 A 29 VAL H A 20 VAL HG1% 1.0 . 3.70 97 88 A 20 VAL HG2% A 29 VAL H 1.0 . 3.70 98 89 A 16 CYS H A 19 LEU HD1% 1.0 . 3.04 99 89 A 16 CYS H A 19 LEU HD2% 1.0 . 3.04 100 90 A 16 CYS H A 19 LEU HBx 1.0 . 4.62 101 91 A 20 VAL H A 29 VAL HGy% 1.0 . 3.46 102 92 A 20 VAL H A 19 LEU HBx 1.0 . 3.07 103 93 A 20 VAL H A 19 LEU HG 1.0 . 5.15 104 94 A 20 VAL H A 29 VAL HGx% 1.0 . 5.50 105 95 A 16 CYS H A 3 ARG HBy 1.0 . 5.13 106 96 A 16 CYS H A 3 ARG HBx 1.0 . 4.28 107 97 A 16 CYS H A 19 LEU HBy 1.0 . 3.88 108 98 A 20 VAL H A 19 LEU HBy 1.0 . 4.01 109 99 A 20 VAL H A 28 CYS HBy 1.0 . 3.77 110 100 A 15 CYS HBx A 16 CYS H 1.0 . 4.30 111 101 A 16 CYS H A 2 CYS HBx 1.0 . 3.51 112 102 A 15 CYS HBy A 16 CYS H 1.0 . 3.16 113 103 A 15 CYS HBy A 20 VAL H 1.0 . 4.24 114 104 A 29 VAL H A 28 CYS HBx 1.0 . 4.40 115 105 A 16 CYS H A 4 TYR HA 1.0 . 4.00 116 106 A 20 VAL H A 19 LEU HA 1.0 . 2.69 117 107 A 16 CYS H A 17 LYS H 1.0 . 4.84 118 108 A 14 THR H A 15 CYS H 1.0 . 4.50 119 109 A 4 TYR H A 3 ARG H 1.0 . 4.95 120 110 A 4 TYR H A 7 GLY H 1.0 . 5.23 121 111 A 31 ASP H A 19 LEU H 1.0 . 4.07 122 112 A 28 CYS H A 27 TRP HD1 1.0 . 3.86 123 113 A 6 LEU H A 27 TRP HD1 1.0 . 3.78 124 114 A 22 SER H A 27 TRP H 1.0 . 3.84 125 115 A 27 TRP H A 26 GLY H 1.0 . 3.23 126 116 A 12 GLY H A 13 GLN H 1.0 . 3.13 127 117 A 10 SER H A 13 GLN H 1.0 . 3.28 128 118 A 18 HIS H A 17 LYS H 1.0 . 4.85 129 119 A 31 ASP H A 30 TRP H 1.0 . 4.68 130 120 A 9 CYS H A 28 CYS H 1.0 . 4.36 131 121 A 11 ALA H A 13 GLN H 1.0 . 4.00 132 122 A 6 LEU H A 7 GLY H 1.0 . 3.46 133 123 A 7 GLY H A 8 GLY H 1.0 . 3.69 134 124 A 31 ASP H A 20 VAL H 1.0 . 4.19 135 125 A 25 HIS H A 24 ARG H 1.0 . 3.19 136 126 A 28 CYS H A 27 TRP HA 1.0 . 2.76 137 127 A 31 ASP H A 19 LEU HA 1.0 . 3.08 138 128 A 3 ARG H A 15 CYS HA 1.0 . 2.97 139 129 A 3 ARG H A 2 CYS HA 1.0 . 2.80 140 130 A 9 CYS H A 27 TRP HA 1.0 . 2.95 141 131 A 21 CYS H A 20 VAL HA 1.0 . 2.53 142 132 A 23 ARG H A 22 SER HA 1.0 . 2.59 143 133 A 15 CYS H A 14 THR HA 1.0 . 2.51 144 134 A 14 THR HB A 15 CYS H 1.0 . 3.40 145 135 A 22 SER HBx A 23 ARG H 1.0 . 4.84 146 136 A 8 GLY HAx A 28 CYS H 1.0 . 4.14 147 137 A 31 ASP H A 30 TRP HA 1.0 . 2.63 148 138 A 6 LEU H A 29 VAL HA 1.0 . 4.19 149 139 A 22 SER H A 28 CYS HA 1.0 . 3.48 150 140 A 19 LEU HA A 30 TRP HE3 1.0 . 3.99 151 141 A 22 SER HBy A 23 ARG H 1.0 . 4.34 152 142 A 7 GLY H A 5 TRP HA 1.0 . 3.83 153 143 A 31 ASP H A 30 TRP HBy 1.0 . 3.67 154 144 A 7 GLY HAy A 8 GLY H 1.0 . 3.11 155 145 A 6 LEU H A 28 CYS HBx 1.0 . 3.34 156 146 A 28 CYS HBx A 7 GLY H 1.0 . 3.32 157 147 A 28 CYS H A 27 TRP HBy 1.0 . 3.92 158 148 A 31 ASP H A 30 TRP HBx 1.0 . 4.58 159 149 A 28 CYS HBy A 7 GLY H 1.0 . 4.57 160 150 A 2 CYS HBx A 3 ARG H 1.0 . 2.94 161 151 A 28 CYS H A 27 TRP HBx 1.0 . 2.95 162 152 A 27 TRP HBx A 8 GLY H 1.0 . 3.80 163 153 A 6 LEU H A 28 CYS HBy 1.0 . 4.52 164 154 A 6 LEU H A 5 TRP HBy 1.0 . 4.01 165 155 A 2 CYS H A 1 GLU HB2 1.0 . 3.31 166 155 A 2 CYS H A 1 GLU HB3 1.0 . 3.31 167 156 A 20 VAL HB A 21 CYS H 1.0 . 2.99 168 157 A 7 GLY H A 6 LEU HBx 1.0 . 4.22 169 158 A 15 CYS H A 14 THR HG2% 1.0 . 3.16 170 159 A 3 ARG HBy A 8 GLY H 1.0 . 4.22 171 160 A 18 HIS H A 17 LYS HBy 1.0 . 3.73 172 161 A 18 HIS H A 17 LYS HGy 1.0 . 3.66 173 162 A 18 HIS H A 17 LYS HBx 1.0 . 4.09 174 163 A 18 HIS H A 17 LYS HGx 1.0 . 3.66 175 164 A 21 CYS H A 20 VAL HG1% 1.0 . 3.49 176 164 A 20 VAL HG2% A 21 CYS H 1.0 . 3.49 177 165 A 31 ASP H A 20 VAL HG1% 1.0 . 3.81 178 165 A 31 ASP H A 20 VAL HG2% 1.0 . 3.81 179 166 A 31 ASP H A 19 LEU HG 1.0 . 4.36 180 167 A 29 VAL HGx% A 28 CYS H 1.0 . 4.69 181 168 A 6 LEU HDy% A 5 TRP HE1 1.0 . 3.62 182 169 A 6 LEU HDx% A 5 TRP HE1 1.0 . 5.09 183 170 A 6 LEU HDy% A 27 TRP HE1 1.0 . 3.20 184 171 A 6 LEU HDx% A 27 TRP HE1 1.0 . 4.89 185 172 A 7 GLY H A 6 LEU HBy 1.0 . 5.11 186 173 A 7 GLY H A 19 LEU HD1% 1.0 . 5.45 187 173 A 19 LEU HD2% A 7 GLY H 1.0 . 5.45 188 174 A 22 SER H A 29 VAL HGy% 1.0 . 3.40 189 175 A 22 SER H A 20 VAL HG1% 1.0 . 4.36 190 175 A 20 VAL HG2% A 22 SER H 1.0 . 4.36 191 176 A 26 GLY H A 25 HIS HBy 1.0 . 4.31 192 177 A 33 THR HG2% A 34 PHE H 1.0 . 3.71 193 178 A 22 SER H A 29 VAL HGx% 1.0 . 3.74 194 179 A 26 GLY H A 25 HIS HBx 1.0 . 3.76 195 180 A 11 ALA HB% A 13 GLN H 1.0 . 4.81 196 181 A 14 THR H A 13 GLN HGx 1.0 . 4.38 197 182 A 14 THR H A 13 GLN HGy 1.0 . 4.13 198 183 A 14 THR H A 13 GLN HB2 1.0 . 3.08 199 183 A 14 THR H A 13 GLN HB3 1.0 . 3.08 200 184 A 10 SER H A 13 GLN HB2 1.0 . 3.53 201 184 A 10 SER H A 13 GLN HB3 1.0 . 3.53 202 185 A 4 TYR H A 3 ARG HBx 1.0 . 3.82 203 186 A 9 CYS H A 27 TRP HBx 1.0 . 4.34 204 187 A 22 SER H A 21 CYS HBx 1.0 . 4.69 205 188 A 22 SER H A 21 CYS HBy 1.0 . 4.69 206 189 A 15 CYS HBy A 19 LEU H 1.0 . 4.96 207 190 A 31 ASP HBx A 32 GLY H 1.0 . 4.49 208 191 A 31 ASP HBy A 32 GLY H 1.0 . 4.37 209 192 A 30 TRP H A 29 VAL HB 1.0 . 2.76 210 193 A 16 CYS HBx A 17 LYS H 1.0 . 3.58 211 194 A 31 ASP HBy A 30 TRP HE3 1.0 . 5.50 212 195 A 35 SER H A 29 VAL HB 1.0 . 5.50 213 196 A 34 PHE HBy A 35 SER H 1.0 . 3.86 214 197 A 34 PHE HBx A 35 SER H 1.0 . 3.85 215 198 A 4 TYR H A 7 GLY HAy 1.0 . 4.09 216 199 A 16 CYS HBy A 17 LYS H 1.0 . 2.67 217 200 A 30 TRP HBy A 32 GLY H 1.0 . 5.50 218 201 A 30 TRP HBy A 30 TRP HE3 1.0 . 3.17 219 202 A 5 TRP HBx A 5 TRP HE3 1.0 . 3.82 220 203 A 27 TRP HBy A 27 TRP HE3 1.0 . 2.92 221 204 A 26 GLY HAx A 25 HIS H 1.0 . 4.91 222 205 A 6 LEU H A 5 TRP HA 1.0 . 2.58 223 206 A 2 CYS H A 1 GLU HA 1.0 . 2.64 224 207 A 18 HIS H A 17 LYS HA 1.0 . 2.40 225 208 A 26 GLY H A 25 HIS HA 1.0 . 3.49 226 209 A 14 THR H A 13 GLN HA 1.0 . 2.62 227 210 A 19 LEU H A 17 LYS HA 1.0 . 3.41 228 211 A 11 ALA H A 10 SER HA 1.0 . 3.25 229 212 A 22 SER H A 21 CYS HA 1.0 . 2.62 230 213 A 32 GLY H A 31 ASP HA 1.0 . 2.99 231 214 A 12 GLY H A 11 ALA HA 1.0 . 3.49 232 215 A 18 HIS HA A 19 LEU H 1.0 . 3.41 233 216 A 24 ARG H A 22 SER HA 1.0 . 3.89 234 217 A 17 LYS H A 16 CYS HA 1.0 . 2.77 235 218 A 35 SER H A 34 PHE HA 1.0 . 3.05 236 219 A 30 TRP HA A 30 TRP HE3 1.0 . 2.86 237 220 A 34 PHE HA A 34 PHE HD% 1.0 . 3.86 238 221 A 30 TRP HA A 30 TRP HD1 1.0 . 4.67 239 222 A 27 TRP HD1 A 29 VAL HA 1.0 . 4.08 240 223 A 29 VAL HA A 5 TRP HD1 1.0 . 2.83 241 224 A 18 HIS HA A 18 HIS HD2 1.0 . 3.78 242 225 A 22 SER HBx A 25 HIS HD2 1.0 . 4.47 243 226 A 25 HIS HA A 25 HIS HD2 1.0 . 4.67 244 227 A 22 SER HBx A 27 TRP H 1.0 . 4.15 245 228 A 4 TYR HE% A 7 GLY HAx 1.0 . 4.25 246 229 A 22 SER HBy A 27 TRP H 1.0 . 2.91 247 230 A 22 SER HBy A 25 HIS HD2 1.0 . 4.14 248 231 A 22 SER HBy A 25 HIS H 1.0 . 3.27 249 232 A 27 TRP H A 26 GLY HAx 1.0 . 3.42 250 233 A 5 TRP HA A 5 TRP HD1 1.0 . 3.08 251 234 A 30 TRP HBy A 30 TRP HD1 1.0 . 3.76 252 235 A 6 LEU HA A 27 TRP HD1 1.0 . 3.16 253 236 A 27 TRP HD1 A 29 VAL HB 1.0 . 4.78 254 237 A 29 VAL HB A 5 TRP HD1 1.0 . 4.39 255 238 A 29 VAL HB A 30 TRP HD1 1.0 . 5.43 256 239 A 29 VAL HB A 34 PHE HD% 1.0 . 4.46 257 240 A 27 TRP HBx A 27 TRP HE3 1.0 . 3.90 258 241 A 5 TRP HBy A 4 TYR HD% 1.0 . 3.66 259 242 A 13 GLN HGy A 13 GLN HE2y 1.0 . 3.76 260 243 A 5 TRP HBy A 5 TRP HE3 1.0 . 3.55 261 244 A 13 GLN HE2x A 13 GLN HB2 1.0 . 4.17 262 244 A 13 GLN HB3 A 13 GLN HE2x 1.0 . 4.17 263 245 A 17 LYS HBx A 18 HIS HD2 1.0 . 5.29 264 246 A 17 LYS HBy A 18 HIS HD2 1.0 . 4.36 265 247 A 25 HIS H A 24 ARG HBx 1.0 . 3.54 266 248 A 30 TRP H A 29 VAL HGx% 1.0 . 3.80 267 249 A 11 ALA HB% A 12 GLY H 1.0 . 3.38 268 250 A 19 LEU HG A 30 TRP HE3 1.0 . 3.36 269 251 A 33 THR HG2% A 30 TRP HE3 1.0 . 5.07 270 252 A 32 GLY H A 20 VAL HG1% 1.0 . 4.05 271 252 A 20 VAL HG2% A 32 GLY H 1.0 . 4.05 272 253 A 6 LEU HBx A 5 TRP HE3 1.0 . 4.79 273 254 A 25 HIS H A 24 ARG HBy 1.0 . 3.72 274 255 A 18 HIS HD2 A 17 LYS HGy 1.0 . 4.16 275 256 A 18 HIS HD2 A 17 LYS HGx 1.0 . 4.16 276 257 A 34 PHE HE% A 20 VAL HG1% 1.0 . 4.32 277 257 A 20 VAL HG2% A 34 PHE HE% 1.0 . 4.32 278 258 A 34 PHE HD% A 20 VAL HG1% 1.0 . 4.32 279 258 A 20 VAL HG2% A 34 PHE HD% 1.0 . 4.32 280 259 A 29 VAL HGy% A 34 PHE HD% 1.0 . 4.11 281 260 A 19 LEU HG A 30 TRP HZ3 1.0 . 3.39 282 261 A 25 HIS HBx A 25 HIS HD2 1.0 . 3.03 283 262 A 24 ARG HBy A 25 HIS HD2 1.0 . 4.10 284 263 A 29 VAL HGy% A 25 HIS HD2 1.0 . 4.62 285 264 A 24 ARG HBx A 25 HIS HD2 1.0 . 4.14 286 265 A 29 VAL HGx% A 27 TRP HD1 1.0 . 2.46 287 266 A 29 VAL HGy% A 27 TRP HD1 1.0 . 4.28 288 267 A 29 VAL HGx% A 5 TRP HD1 1.0 . 4.12 289 268 A 6 LEU HDx% A 5 TRP HH2 1.0 . 3.84 290 269 A 6 LEU HDy% A 5 TRP HH2 1.0 . 4.35 291 270 A 6 LEU HG A 5 TRP HE3 1.0 . 4.21 292 271 A 6 LEU HDx% A 5 TRP HE3 1.0 . 4.08 293 272 A 6 LEU HDx% A 5 TRP HZ2 1.0 . 4.28 294 273 A 6 LEU HDx% A 5 TRP HZ3 1.0 . 3.80 295 274 A 6 LEU HDy% A 5 TRP HZ2 1.0 . 4.25 296 275 A 27 TRP HD1 A 6 LEU HDy% 1.0 . 3.11 297 276 A 6 LEU HDy% A 5 TRP HD1 1.0 . 3.76 298 277 A 6 LEU HG A 5 TRP HD1 1.0 . 4.54 299 278 A 17 LYS H A 19 LEU HD1% 1.0 . 4.29 300 278 A 19 LEU HD2% A 17 LYS H 1.0 . 4.29 301 279 A 30 TRP HE3 A 19 LEU HD1% 1.0 . 4.14 302 279 A 19 LEU HD2% A 30 TRP HE3 1.0 . 4.14 303 280 A 30 TRP HZ3 A 19 LEU HD1% 1.0 . 2.98 304 280 A 19 LEU HD2% A 30 TRP HZ3 1.0 . 2.98 305 281 A 25 HIS HBy A 27 TRP HZ3 1.0 . 4.88 306 282 A 25 HIS HBy A 27 TRP HZ2 1.0 . 3.67 307 283 A 5 TRP HD1 A 19 LEU HD1% 1.0 . 4.31 308 283 A 19 LEU HD2% A 5 TRP HD1 1.0 . 4.31 309 284 A 30 TRP HA A 19 LEU HA 1.0 . 3.61 310 285 A 8 GLY HAx A 27 TRP HA 1.0 . 3.07 311 286 A 27 TRP HBx A 27 TRP HA 1.0 . 2.97 312 287 A 5 TRP HBx A 5 TRP HD1 1.0 . 3.67 313 288 A 27 TRP HBy A 27 TRP HA 1.0 . 2.96 314 289 A 27 TRP HA A 8 GLY HAy 1.0 . 3.95 315 290 A 29 VAL HA A 5 TRP HA 1.0 . 4.24 316 291 A 9 CYS HA A 9 CYS HBy 1.0 . 2.99 317 292 A 9 CYS HA A 9 CYS HBx 1.0 . 2.99 318 293 A 15 CYS HBy A 19 LEU HA 1.0 . 4.86 319 294 A 31 ASP HBx A 19 LEU HA 1.0 . 4.33 320 295 A 31 ASP HBy A 19 LEU HA 1.0 . 4.08 321 296 A 2 CYS HBx A 15 CYS HA 1.0 . 3.92 322 297 A 15 CYS HBy A 15 CYS HA 1.0 . 3.01 323 298 A 22 SER HBy A 21 CYS HA 1.0 . 5.10 324 299 A 29 VAL HA A 29 VAL HB 1.0 . 2.77 325 300 A 2 CYS HBx A 2 CYS HA 1.0 . 2.96 326 301 A 2 CYS HBy A 2 CYS HA 1.0 . 2.96 327 302 A 16 CYS HBy A 16 CYS HA 1.0 . 2.96 328 303 A 31 ASP HBx A 31 ASP HA 1.0 . 2.93 329 304 A 15 CYS HBy A 20 VAL HA 1.0 . 4.27 330 305 A 15 CYS HBx A 20 VAL HA 1.0 . 3.57 331 306 A 3 ARG HA A 4 TYR HBy 1.0 . 4.46 332 307 A 14 THR HB A 2 CYS HBy 1.0 . 4.34 333 308 A 13 GLN HGy A 13 GLN HA 1.0 . 3.28 334 309 A 13 GLN HGx A 13 GLN HA 1.0 . 3.31 335 310 A 15 CYS HBx A 14 THR HA 1.0 . 4.76 336 311 A 8 GLY HAx A 27 TRP HBx 1.0 . 3.93 337 312 A 22 SER HBx A 29 VAL HB 1.0 . 4.17 338 313 A 23 ARG HA A 23 ARG HD2 1.0 . 4.09 339 313 A 23 ARG HA A 23 ARG HD3 1.0 . 4.09 340 314 A 24 ARG HA A 24 ARG HD2 1.0 . 3.88 341 314 A 24 ARG HA A 24 ARG HD3 1.0 . 3.88 342 315 A 17 LYS HA A 17 LYS HE2 1.0 . 5.50 343 315 A 17 LYS HE3 A 17 LYS HA 1.0 . 5.50 344 316 A 27 TRP HBy A 8 GLY HAy 1.0 . 4.26 345 317 A 20 VAL HB A 20 VAL HA 1.0 . 2.88 346 318 A 3 ARG HA A 3 ARG HGx 1.0 . 3.80 347 319 A 13 GLN HA A 13 GLN HB2 1.0 . 2.89 348 319 A 13 GLN HB3 A 13 GLN HA 1.0 . 2.89 349 320 A 13 GLN HGx A 9 CYS HA 1.0 . 4.90 350 321 A 19 LEU HBy A 15 CYS HA 1.0 . 4.49 351 322 A 9 CYS HA A 13 GLN HB2 1.0 . 2.85 352 322 A 13 GLN HB3 A 9 CYS HA 1.0 . 2.85 353 323 A 3 ARG HBx A 15 CYS HA 1.0 . 3.24 354 324 A 15 CYS HA A 3 ARG HBy 1.0 . 4.89 355 325 A 3 ARG HGy A 15 CYS HA 1.0 . 5.19 356 326 A 19 LEU HG A 19 LEU HA 1.0 . 3.25 357 327 A 19 LEU HA A 20 VAL HG1% 1.0 . 3.88 358 327 A 20 VAL HG2% A 19 LEU HA 1.0 . 3.88 359 328 A 29 VAL HGy% A 28 CYS HA 1.0 . 3.89 360 329 A 19 LEU HBx A 28 CYS HA 1.0 . 4.38 361 330 A 15 CYS HA A 14 THR HG2% 1.0 . 4.72 362 331 A 29 VAL HGx% A 28 CYS HA 1.0 . 4.95 363 332 A 29 VAL HGx% A 29 VAL HA 1.0 . 2.85 364 333 A 19 LEU HG A 30 TRP HA 1.0 . 3.93 365 334 A 19 LEU HBx A 30 TRP HA 1.0 . 4.64 366 335 A 29 VAL HGy% A 29 VAL HA 1.0 . 3.56 367 336 A 30 TRP HA A 19 LEU HD1% 1.0 . 4.37 368 336 A 19 LEU HD2% A 30 TRP HA 1.0 . 4.37 369 337 A 15 CYS HA A 19 LEU HD1% 1.0 . 4.16 370 337 A 19 LEU HD2% A 15 CYS HA 1.0 . 4.16 371 338 A 29 VAL HGy% A 34 PHE HA 1.0 . 4.25 372 339 A 29 VAL HGy% A 22 SER HA 1.0 . 3.78 373 340 A 14 THR HG2% A 16 CYS HA 1.0 . 4.90 374 341 A 25 HIS HBx A 22 SER HA 1.0 . 5.03 375 342 A 29 VAL HGx% A 22 SER HA 1.0 . 5.30 376 343 A 3 ARG HA A 3 ARG HBy 1.0 . 2.85 377 344 A 14 THR HA A 14 THR HG2% 1.0 . 2.98 378 345 A 33 THR HG2% A 33 THR HA 1.0 . 3.24 379 346 A 22 SER HBx A 29 VAL HGx% 1.0 . 2.97 380 347 A 22 SER HBx A 29 VAL HGy% 1.0 . 3.06 381 348 A 4 TYR HA A 19 LEU HD1% 1.0 . 2.90 382 348 A 19 LEU HD2% A 4 TYR HA 1.0 . 2.90 383 349 A 22 SER HBy A 25 HIS HBy 1.0 . 4.20 384 350 A 22 SER HBy A 29 VAL HGy% 1.0 . 3.68 385 351 A 17 LYS HA A 17 LYS HGx 1.0 . 4.07 386 352 A 24 ARG HA A 24 ARG HGx 1.0 . 3.72 387 353 A 24 ARG HA A 24 ARG HGy 1.0 . 3.72 388 354 A 22 SER HBy A 25 HIS HBx 1.0 . 3.21 389 355 A 17 LYS HA A 17 LYS HGy 1.0 . 4.07 390 356 A 3 ARG HBy A 7 GLY HAx 1.0 . 3.92 391 357 A 23 ARG HA A 23 ARG HGx 1.0 . 3.53 392 358 A 23 ARG HA A 23 ARG HGy 1.0 . 3.53 393 359 A 24 ARG HA A 23 ARG HBx 1.0 . 5.36 394 360 A 24 ARG HA A 23 ARG HBy 1.0 . 5.36 395 361 A 5 TRP HA A 19 LEU HD1% 1.0 . 3.67 396 361 A 19 LEU HD2% A 5 TRP HA 1.0 . 3.67 397 362 A 16 CYS HBy A 19 LEU HD1% 1.0 . 3.38 398 362 A 16 CYS HBy A 19 LEU HD2% 1.0 . 3.38 399 363 A 7 GLY HAy A 3 ARG HBy 1.0 . 3.19 400 364 A 7 GLY HAy A 3 ARG HBx 1.0 . 4.05 401 365 A 13 GLN HB3 A 9 CYS HBy 1.0 . 4.19 402 365 A 9 CYS HBy A 13 GLN HB2 1.0 . 4.19 403 366 A 15 CYS HBy A 19 LEU HBy 1.0 . 2.82 404 367 A 23 ARG HD3 A 23 ARG HBx 1.0 . 3.89 405 367 A 23 ARG HBx A 23 ARG HD2 1.0 . 3.89 406 368 A 23 ARG HD3 A 23 ARG HBy 1.0 . 3.89 407 368 A 23 ARG HBy A 23 ARG HD2 1.0 . 3.89 408 369 A 34 PHE HBx A 29 VAL HGx% 1.0 . 5.50 409 370 A 19 LEU HBx A 28 CYS HBx 1.0 . 3.87 410 371 A 15 CYS HBy A 19 LEU HBx 1.0 . 3.07 411 372 A 2 CYS HBy A 14 THR HG2% 1.0 . 4.45 412 373 A 24 ARG HBy A 24 ARG HD2 1.0 . 3.47 413 373 A 24 ARG HBy A 24 ARG HD3 1.0 . 3.47 414 374 A 4 TYR HBx A 19 LEU HD1% 1.0 . 4.21 415 374 A 19 LEU HD2% A 4 TYR HBx 1.0 . 4.21 416 375 A 28 CYS HBx A 19 LEU HD1% 1.0 . 3.82 417 375 A 19 LEU HD2% A 28 CYS HBx 1.0 . 3.82 418 376 A 15 CYS HBy A 19 LEU HD1% 1.0 . 3.54 419 376 A 15 CYS HBy A 19 LEU HD2% 1.0 . 3.54 420 377 A 15 CYS HBy A 20 VAL HG1% 1.0 . 5.44 421 377 A 15 CYS HBy A 20 VAL HG2% 1.0 . 5.44 422 378 A 21 CYS HBy A 20 VAL HG1% 1.0 . 5.50 423 378 A 20 VAL HG2% A 21 CYS HBy 1.0 . 5.50 424 379 A 31 ASP HBx A 20 VAL HG1% 1.0 . 3.24 425 379 A 31 ASP HBx A 20 VAL HG2% 1.0 . 3.24 426 380 A 2 CYS HBx A 14 THR HG2% 1.0 . 4.20 427 381 A 13 GLN HB3 A 9 CYS HBx 1.0 . 4.19 428 381 A 9 CYS HBx A 13 GLN HB2 1.0 . 4.19 429 382 A 31 ASP HBx A 20 VAL HB 1.0 . 4.99 430 383 A 19 LEU HBx A 28 CYS HBy 1.0 . 3.02 431 384 A 15 CYS HBx A 19 LEU HBx 1.0 . 3.90 432 385 A 28 CYS HBy A 19 LEU HD1% 1.0 . 3.43 433 385 A 19 LEU HD2% A 28 CYS HBy 1.0 . 3.43 434 386 A 15 CYS HBx A 19 LEU HD1% 1.0 . 4.40 435 386 A 15 CYS HBx A 19 LEU HD2% 1.0 . 4.40 436 387 A 16 CYS HBx A 19 LEU HD1% 1.0 . 2.87 437 387 A 16 CYS HBx A 19 LEU HD2% 1.0 . 2.87 438 388 A 31 ASP HBy A 20 VAL HG1% 1.0 . 3.42 439 388 A 31 ASP HBy A 20 VAL HG2% 1.0 . 3.42 440 389 A 19 LEU HBy A 28 CYS HBy 1.0 . 3.69 441 390 A 4 TYR HBx A 5 TRP HBy 1.0 . 4.24 442 391 A 13 GLN HGx A 13 GLN HB2 1.0 . 2.91 443 391 A 13 GLN HGx A 13 GLN HB3 1.0 . 2.91 444 392 A 13 GLN HGy A 13 GLN HB2 1.0 . 2.86 445 392 A 13 GLN HGy A 13 GLN HB3 1.0 . 2.86 446 393 A 3 ARG HGy A 13 GLN HB2 1.0 . 3.68 447 393 A 3 ARG HGy A 13 GLN HB3 1.0 . 3.68 448 394 A 3 ARG HBx A 13 GLN HB2 1.0 . 5.02 449 394 A 3 ARG HBx A 13 GLN HB3 1.0 . 5.02 450 395 A 19 LEU HBy A 19 LEU HD1% 1.0 . 2.94 451 395 A 19 LEU HD2% A 19 LEU HBy 1.0 . 2.94 452 396 A 19 LEU HBx A 19 LEU HD1% 1.0 . 3.17 453 396 A 19 LEU HD2% A 19 LEU HBx 1.0 . 3.17 454 397 A 28 CYS HBx A 5 TRP HA 1.0 . 3.58 455 398 A 6 LEU HA A 5 TRP HA 1.0 . 4.54 456 399 A 28 CYS HBy A 5 TRP HA 1.0 . 4.03 457 400 A 16 CYS H A 2 CYS HA 1.0 . 4.66 458 401 A 16 CYS H A 3 ARG HA 1.0 . 4.83 459 402 A 18 HIS HA A 31 ASP H 1.0 . 4.99 460 403 A 28 CYS H A 21 CYS HA 1.0 . 4.79 461 404 A 14 THR H A 2 CYS HA 1.0 . 4.51 462 405 A 19 LEU H A 30 TRP HA 1.0 . 5.44 463 406 A 6 LEU H A 28 CYS HA 1.0 . 5.29 464 407 A 28 CYS HA A 8 GLY H 1.0 . 5.50 465 408 A 3 ARG H A 4 TYR HA 1.0 . 5.50 466 409 A 7 GLY H A 4 TYR HA 1.0 . 5.50 467 410 A 22 SER HBx A 27 TRP HE1 1.0 . 5.02 468 411 A 29 VAL HA A 27 TRP HE1 1.0 . 4.90 469 412 A 22 SER HBx A 29 VAL H 1.0 . 4.71 470 413 A 29 VAL H A 20 VAL HA 1.0 . 4.88 471 414 A 29 VAL H A 19 LEU HA 1.0 . 4.81 472 415 A 27 TRP HA A 8 GLY H 1.0 . 4.52 473 416 A 18 HIS HA A 30 TRP HE3 1.0 . 4.97 474 417 A 25 HIS H A 22 SER HA 1.0 . 4.80 475 418 A 3 ARG HA A 4 TYR HE% 1.0 . 5.18 476 419 A 27 TRP H A 22 SER HA 1.0 . 5.09 477 420 A 19 LEU HA A 30 TRP HZ3 1.0 . 5.36 478 421 A 27 TRP HD1 A 28 CYS HA 1.0 . 4.44 479 422 A 8 GLY HAx A 27 TRP H 1.0 . 4.79 480 423 A 8 GLY HAx A 13 GLN HE2y 1.0 . 5.50 481 424 A 13 GLN HA A 13 GLN HE2y 1.0 . 5.50 482 425 A 34 PHE HD% A 33 THR HA 1.0 . 5.05 483 426 A 17 LYS HA A 18 HIS HD2 1.0 . 4.89 484 427 A 25 HIS H A 23 ARG HA 1.0 . 5.00 485 428 A 13 GLN HE2x A 13 GLN HA 1.0 . 4.45 486 429 A 22 SER HBx A 24 ARG H 1.0 . 5.37 487 430 A 24 ARG H A 25 HIS HA 1.0 . 5.50 488 431 A 5 TRP HA A 4 TYR HD% 1.0 . 4.96 489 432 A 30 TRP HBy A 34 PHE HD% 1.0 . 5.50 490 433 A 9 CYS H A 26 GLY HAx 1.0 . 5.34 491 434 A 10 SER HBy A 13 GLN H 1.0 . 5.02 492 435 A 22 SER H A 28 CYS HBy 1.0 . 5.24 493 436 A 15 CYS HBx A 19 LEU H 1.0 . 5.21 494 437 A 29 VAL HB A 5 TRP HZ2 1.0 . 5.50 495 438 A 31 ASP HBy A 34 PHE HE% 1.0 . 5.50 496 439 A 10 SER H A 13 GLN HGx 1.0 . 4.91 497 440 A 10 SER H A 13 GLN HGy 1.0 . 5.00 498 441 A 5 TRP HBy A 5 TRP HZ3 1.0 . 4.98 499 442 A 13 GLN HE2y A 13 GLN HB2 1.0 . 4.57 500 442 A 13 GLN HB3 A 13 GLN HE2y 1.0 . 4.57 501 443 A 18 HIS H A 19 LEU HBy 1.0 . 5.26 502 444 A 11 ALA H A 13 GLN HB2 1.0 . 4.96 503 444 A 11 ALA H A 13 GLN HB3 1.0 . 4.96 504 445 A 2 CYS H A 3 ARG HGx 1.0 . 5.50 505 446 A 28 CYS H A 3 ARG HBy 1.0 . 5.18 506 447 A 14 THR H A 3 ARG HGy 1.0 . 4.62 507 448 A 4 TYR H A 3 ARG HBy 1.0 . 3.16 508 449 A 12 GLY H A 13 GLN HB2 1.0 . 4.66 509 449 A 12 GLY H A 13 GLN HB3 1.0 . 4.66 510 450 A 14 THR H A 3 ARG HGx 1.0 . 4.83 511 451 A 31 ASP H A 29 VAL HGy% 1.0 . 5.02 512 452 A 31 ASP H A 19 LEU HBx 1.0 . 4.76 513 453 A 11 ALA HB% A 10 SER H 1.0 . 5.50 514 454 A 29 VAL HGy% A 32 GLY H 1.0 . 5.20 515 455 A 29 VAL HGy% A 5 TRP HD1 1.0 . 4.98 516 456 A 5 TRP HE3 A 19 LEU HD1% 1.0 . 5.50 517 456 A 19 LEU HD2% A 5 TRP HE3 1.0 . 5.50 518 457 A 25 HIS HBy A 27 TRP HE3 1.0 . 4.49 519 458 A 4 TYR H A 19 LEU HD1% 1.0 . 4.59 520 458 A 19 LEU HD2% A 4 TYR H 1.0 . 4.59 521 459 A 27 TRP H A 25 HIS HBy 1.0 . 4.20 522 460 A 27 TRP HD1 A 25 HIS HBy 1.0 . 4.84 523 461 A 27 TRP HD1 A 6 LEU HBy 1.0 . 5.15 524 462 A 7 GLY H A 6 LEU HDy% 1.0 . 4.63 525 463 A 28 CYS H A 6 LEU HDy% 1.0 . 4.94 526 464 A 6 LEU HDy% A 27 TRP HE3 1.0 . 4.70 527 465 A 6 LEU HDy% A 5 TRP HE3 1.0 . 4.60 528 466 A 6 LEU HDy% A 27 TRP HZ2 1.0 . 4.50 529 467 A 6 LEU HDx% A 27 TRP HZ2 1.0 . 4.73 530 468 A 6 LEU HG A 5 TRP HE1 1.0 . 4.67 531 469 A 25 HIS HBy A 27 TRP HE1 1.0 . 4.61 532 470 A 29 VAL HGy% A 27 TRP HE1 1.0 . 4.84 533 471 A 29 VAL H A 19 LEU HD1% 1.0 . 4.91 534 471 A 19 LEU HD2% A 29 VAL H 1.0 . 4.91 535 472 A 20 VAL H A 19 LEU HD1% 1.0 . 4.42 536 472 A 20 VAL H A 19 LEU HD2% 1.0 . 4.42 537 473 A 16 CYS H A 14 THR HG2% 1.0 . 5.25 538 474 A 23 ARG H A 29 VAL HGy% 1.0 . 5.33 539 475 A 28 CYS H A 19 LEU HD1% 1.0 . 5.19 540 475 A 19 LEU HD2% A 28 CYS H 1.0 . 5.19 541 476 A 23 ARG H A 24 ARG HBx 1.0 . 4.78 542 477 A 15 CYS H A 19 LEU HBy 1.0 . 5.50 543 478 A 19 LEU HBy A 29 VAL H 1.0 . 5.50 544 479 A 28 CYS H A 7 GLY HAy 1.0 . 4.73 545 480 A 28 CYS H A 5 TRP HA 1.0 . 4.90 546 481 A 26 GLY HAx A 27 TRP HA 1.0 . 4.95 547 482 A 26 GLY HAy A 27 TRP HA 1.0 . 5.50 548 483 A 28 CYS HBy A 19 LEU HA 1.0 . 5.26 549 484 A 27 TRP HA A 28 CYS HA 1.0 . 4.68 550 485 A 27 TRP H A 21 CYS HA 1.0 . 5.50 551 486 A 14 THR HB A 2 CYS HA 1.0 . 4.53 552 487 A 8 GLY HAy A 9 CYS HA 1.0 . 4.93 553 488 A 30 TRP HBy A 19 LEU HA 1.0 . 5.31 554 489 A 28 CYS HBx A 27 TRP HA 1.0 . 5.11 555 490 A 3 ARG HGy A 9 CYS HA 1.0 . 4.87 556 491 A 3 ARG HBx A 2 CYS HA 1.0 . 4.90 557 492 A 19 LEU HBy A 30 TRP HA 1.0 . 5.50 558 493 A 31 ASP HBx A 30 TRP HA 1.0 . 4.67 559 494 A 28 CYS HA A 20 VAL HG1% 1.0 . 4.81 560 494 A 20 VAL HG2% A 28 CYS HA 1.0 . 4.81 561 495 A 29 VAL HA A 20 VAL HG1% 1.0 . 4.88 562 495 A 20 VAL HG2% A 29 VAL HA 1.0 . 4.88 563 496 A 30 TRP HA A 20 VAL HG1% 1.0 . 5.16 564 496 A 20 VAL HG2% A 30 TRP HA 1.0 . 5.16 565 497 A 2 CYS HA A 14 THR HG2% 1.0 . 4.68 566 498 A 3 ARG HGy A 2 CYS HA 1.0 . 4.68 567 499 A 17 LYS HBx A 16 CYS HA 1.0 . 4.66 568 500 A 17 LYS HBy A 16 CYS HA 1.0 . 5.50 569 501 A 3 ARG HBy A 4 TYR HA 1.0 . 4.97 570 502 A 19 LEU HBx A 20 VAL HA 1.0 . 4.78 571 503 A 21 CYS HA A 20 VAL HG1% 1.0 . 4.66 572 503 A 20 VAL HG2% A 21 CYS HA 1.0 . 4.66 573 504 A 16 CYS HA A 19 LEU HD1% 1.0 . 4.47 574 504 A 19 LEU HD2% A 16 CYS HA 1.0 . 4.47 575 505 A 22 SER HA A 23 ARG HA 1.0 . 4.72 576 506 A 17 LYS HA A 16 CYS HA 1.0 . 4.76 577 507 A 4 TYR HA A 5 TRP HA 1.0 . 4.73 578 508 A 16 CYS HBy A 4 TYR HA 1.0 . 4.84 579 509 A 16 CYS HBy A 17 LYS HA 1.0 . 4.67 580 510 A 7 GLY HAy A 8 GLY HAy 1.0 . 4.81 581 511 A 4 TYR HBx A 5 TRP HA 1.0 . 4.73 582 512 A 2 CYS HBy A 1 GLU HA 1.0 . 4.81 583 513 A 14 THR HB A 2 CYS HBx 1.0 . 4.78 584 514 A 27 TRP HBx A 8 GLY HAy 1.0 . 4.88 585 515 A 16 CYS HBy A 17 LYS HBx 1.0 . 4.51 586 516 A 16 CYS HBy A 17 LYS HBy 1.0 . 4.79 587 517 A 16 CYS HBy A 19 LEU HG 1.0 . 5.40 588 518 A 6 LEU HBx A 5 TRP HA 1.0 . 5.35 589 519 A 29 VAL HGx% A 5 TRP HA 1.0 . 5.50 590 520 A 33 THR HG2% A 30 TRP HBy 1.0 . 4.59 591 521 A 34 PHE HBx A 29 VAL HGy% 1.0 . 4.88 592 522 A 30 TRP HBx A 29 VAL HGy% 1.0 . 4.98 593 523 A 29 VAL HGx% A 28 CYS HBx 1.0 . 5.32 594 524 A 15 CYS HBy A 3 ARG HBx 1.0 . 4.81 595 525 A 19 LEU HBy A 28 CYS HBx 1.0 . 5.11 596 526 A 5 TRP HE1 A 30 TRP HE1 1.0 . 4.79 597 527 A 30 TRP H A 29 VAL H 1.0 . 4.67 598 528 A 20 VAL H A 19 LEU H 1.0 . 4.41 599 529 A 6 LEU H A 5 TRP HE3 1.0 . 5.50 600 530 A 9 CYS H A 13 GLN HE2x 1.0 . 5.50 601 531 A 13 GLN H A 13 GLN HE2x 1.0 . 5.50 602 532 A 14 THR H A 13 GLN HE2x 1.0 . 4.92 603 533 A 7 GLY H A 4 TYR HE% 1.0 . 5.14 604 534 A 23 ARG H A 25 HIS H 1.0 . 4.89 605 535 A 29 VAL H A 27 TRP HD1 1.0 . 4.60 606 536 A 10 SER H A 13 GLN HE2y 1.0 . 4.93 607 537 A 4 TYR H A 4 TYR HE% 1.0 . 4.52 608 538 A 5 TRP HD1 A 30 TRP HE1 1.0 . 4.88 609 539 A 29 VAL H A 28 CYS H 1.0 . 4.58 610 540 A 20 VAL H A 21 CYS H 1.0 . 4.86 611 541 A 20 VAL H A 29 VAL H 1.0 . 3.38 612 542 A 21 CYS H A 22 SER H 1.0 . 4.68 613 543 A 20 VAL HG2% A 21 CYS HBx 1.0 . 5.50 614 543 A 20 VAL HG1% A 21 CYS HBx 1.0 . 5.50 615 544 A 2 CYS HBx A 3 ARG HBx 1.0 . 5.31 616 545 A 15 CYS HBx A 3 ARG HBx 1.0 . 5.50 617 546 A 3 ARG HGy A 13 GLN HGx 1.0 . 5.50 618 547 A 16 CYS HBx A 19 LEU HG 1.0 . 4.55 619 548 A 15 CYS HBx A 14 THR HG2% 1.0 . 4.52 620 549 A 29 VAL HGx% A 27 TRP HBx 1.0 . 4.63 621 550 A 20 VAL HB A 29 VAL HGy% 1.0 . 4.66 622 551 A 27 TRP HBx A 6 LEU HDy% 1.0 . 4.47 623 552 A 6 LEU HBy A 6 LEU HDx% 1.0 . 3.07 624 553 A 6 LEU HBy A 6 LEU HDy% 1.0 . 3.10 625 554 A 6 LEU HBx A 6 LEU HDy% 1.0 . 3.46 626 555 A 29 VAL HGx% A 6 LEU HDy% 1.0 . 3.67 627 556 A 6 LEU HBx A 6 LEU HDx% 1.0 . 2.96 628 557 A 15 CYS HBx A 20 VAL HG1% 1.0 . 4.99 629 557 A 15 CYS HBx A 20 VAL HG2% 1.0 . 4.99 630 558 A 34 PHE HBy A 22 SER HBx 1.0 . 5.50 631 559 A 3 ARG HA A 2 CYS HBx 1.0 . 4.88 632 560 A 18 HIS HA A 31 ASP HBx 1.0 . 4.66 633 561 A 18 HIS HA A 31 ASP HBy 1.0 . 4.42 634 562 A 28 CYS HBy A 21 CYS HA 1.0 . 4.51 635 563 A 2 CYS HBx A 16 CYS HA 1.0 . 2.98 636 564 A 6 LEU HDy% A 5 TRP HA 1.0 . 4.54 637 565 A 6 LEU HG A 5 TRP HA 1.0 . 4.90 638 566 A 28 CYS HBx A 6 LEU HDy% 1.0 . 5.31 639 567 A 6 LEU HDy% A 29 VAL HB 1.0 . 5.01 640 568 A 29 VAL HGy% A 19 LEU HA 1.0 . 5.00 641 569 A 15 CYS HBx A 19 LEU HA 1.0 . 5.40 642 570 A 5 TRP HE1 A 29 VAL HB 1.0 . 4.51 643 571 A 27 TRP HE1 A 29 VAL HB 1.0 . 4.71 644 572 A 6 LEU HA A 27 TRP HE1 1.0 . 4.48 645 573 A 15 CYS HBy A 29 VAL H 1.0 . 5.00 646 574 A 31 ASP HBx A 20 VAL H 1.0 . 4.65 647 575 A 15 CYS HBx A 20 VAL H 1.0 . 4.74 648 576 A 16 CYS H A 28 CYS HBy 1.0 . 4.93 649 577 A 16 CYS HBx A 3 ARG H 1.0 . 5.29 650 578 A 29 VAL HGx% A 27 TRP HA 1.0 . 5.41 651 579 A 22 SER HBx A 20 VAL HG1% 1.0 . 4.55 652 579 A 20 VAL HG2% A 22 SER HBx 1.0 . 4.55 653 580 A 11 ALA HB% A 10 SER HBy 1.0 . 4.67 654 581 A 30 TRP HBy A 29 VAL HB 1.0 . 5.50 655 582 A 31 ASP HBy A 30 TRP HBy 1.0 . 5.50 656 583 A 28 CYS HBx A 7 GLY HAy 1.0 . 4.17 657 584 A 6 LEU HA A 7 GLY HAx 1.0 . 4.81 658 585 A 28 CYS HBx A 7 GLY HAx 1.0 . 5.39 659 586 A 31 ASP HA A 32 GLY HAx 1.0 . 5.11 660 587 A 8 GLY HAx A 7 GLY HAy 1.0 . 5.15 661 588 A 3 ARG HA A 7 GLY HAy 1.0 . 4.72 662 589 A 6 LEU HDy% A 29 VAL HA 1.0 . 4.49 663 590 A 20 VAL HA A 20 VAL HG1% 1.0 . 2.85 664 590 A 20 VAL HG2% A 20 VAL HA 1.0 . 2.85 665 591 A 31 ASP HA A 20 VAL HG1% 1.0 . 3.12 666 591 A 20 VAL HG2% A 31 ASP HA 1.0 . 3.12 667 592 A 19 LEU HA A 19 LEU HD1% 1.0 . 4.00 668 592 A 19 LEU HD2% A 19 LEU HA 1.0 . 4.00 669 593 A 13 GLN HGy A 9 CYS HA 1.0 . 4.70 670 594 A 16 CYS HBx A 15 CYS HA 1.0 . 4.74 671 595 A 9 CYS H A 27 TRP HBy 1.0 . 4.45 672 596 A 30 TRP H A 29 VAL HGy% 1.0 . 3.81 673 597 A 6 LEU HG A 5 TRP HH2 1.0 . 5.24 674 598 A 6 LEU HG A 5 TRP HZ3 1.0 . 5.24 675 599 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.00 676 600 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.98 677 601 A 6 LEU HA A 6 LEU HG 1.0 . 3.91 678 602 A 27 TRP HBx A 6 LEU HBy 1.0 . 4.61 679 603 A 3 ARG HGy A 13 GLN HGy 1.0 . 4.53 680 604 A 5 TRP HBx A 4 TYR HD% 1.0 . 3.95 681 605 A 6 LEU HA A 5 TRP HD1 1.0 . 5.25 682 606 A 28 CYS HBx A 27 TRP HD1 1.0 . 5.02 683 607 A 30 TRP HBx A 30 TRP HD1 1.0 . 3.14 684 608 A 27 TRP HZ2 A 25 HIS HE1 1.0 . 4.88 685 609 A 11 ALA H A 10 SER HBy 1.0 . 3.10 686 610 A 34 PHE H A 34 PHE HD% 1.0 . 3.88 687 611 A 4 TYR H A 4 TYR HD% 1.0 . 3.54 688 612 A 26 GLY H A 25 HIS H 1.0 . 2.86 689 613 A 33 THR H A 34 PHE H 1.0 . 3.31 690 614 A 18 HIS H A 19 LEU H 1.0 . 2.95 691 615 A 11 ALA H A 12 GLY H 1.0 . 3.18 692 616 A 6 LEU H A 5 TRP HD1 1.0 . 3.36 693 617 A 30 TRP H A 5 TRP HZ2 1.0 . 4.78 694 618 A 30 TRP H A 30 TRP HD1 1.0 . 3.48 695 619 A 30 TRP H A 5 TRP HD1 1.0 . 3.59 696 620 A 16 CYS H A 3 ARG H 1.0 . 3.53 697 621 A 14 THR H A 3 ARG H 1.0 . 4.92 698 622 A 23 ARG H A 24 ARG H 1.0 . 3.05 699 623 A 31 ASP H A 30 TRP HE3 1.0 . 3.53 700 624 A 22 SER H A 29 VAL H 1.0 . 3.91 701 625 A 30 TRP H A 5 TRP HE1 1.0 . 3.91 702 626 A 5 TRP HE1 A 30 TRP HD1 1.0 . 3.74 703 627 A 29 VAL H A 5 TRP HA 1.0 . 5.41 704 628 A 22 SER HBy A 29 VAL H 1.0 . 5.05 705 629 A 20 VAL H A 28 CYS HBx 1.0 . 5.42 706 630 A 16 CYS H A 28 CYS HBx 1.0 . 5.33 707 631 A 34 PHE HBy A 29 VAL H 1.0 . 5.50 708 632 A 14 THR HB A 16 CYS H 1.0 . 5.50 709 633 A 28 CYS H A 8 GLY HAy 1.0 . 5.04 710 634 A 22 SER HBy A 28 CYS H 1.0 . 5.50 711 635 A 28 CYS H A 7 GLY HAx 1.0 . 5.22 712 636 A 34 PHE H A 30 TRP HBy 1.0 . 5.50 713 637 A 7 GLY H A 4 TYR HBx 1.0 . 5.50 714 638 A 31 ASP HBx A 30 TRP HE3 1.0 . 5.50 715 639 A 33 THR H A 34 PHE HBy 1.0 . 5.18 716 640 A 18 HIS H A 31 ASP HBy 1.0 . 5.21 717 641 A 18 HIS H A 31 ASP HBx 1.0 . 5.50 718 642 A 7 GLY HAy A 4 TYR HD% 1.0 . 5.50 719 643 A 7 GLY HAy A 4 TYR HE% 1.0 . 5.41 720 644 A 34 PHE HD% A 35 SER HB2 1.0 . 5.46 721 644 A 35 SER HB3 A 34 PHE HD% 1.0 . 5.46 722 645 A 13 GLN HE2y A 8 GLY HAy 1.0 . 5.45 723 646 A 30 TRP HBy A 5 TRP HD1 1.0 . 5.50 724 647 A 30 TRP HBx A 5 TRP HD1 1.0 . 5.19 725 648 A 28 CYS HBx A 5 TRP HD1 1.0 . 5.12 726 649 A 19 LEU HBy A 30 TRP HZ3 1.0 . 5.50 727 650 A 3 ARG HGx A 13 GLN HE2x 1.0 . 5.48 728 651 A 16 CYS HBx A 19 LEU H 1.0 . 5.48 729 652 A 12 GLY H A 13 GLN HGx 1.0 . 5.26 730 653 A 28 CYS H A 3 ARG HBx 1.0 . 5.44 731 654 A 9 CYS H A 3 ARG HGy 1.0 . 5.50 732 655 A 26 GLY H A 24 ARG HBx 1.0 . 5.50 733 656 A 19 LEU H A 17 LYS HBx 1.0 . 5.50 734 657 A 19 LEU H A 17 LYS HBy 1.0 . 5.20 735 658 A 20 VAL HB A 29 VAL H 1.0 . 5.33 736 659 A 15 CYS HBx A 29 VAL H 1.0 . 5.48 737 660 A 21 CYS H A 29 VAL HGy% 1.0 . 5.17 738 661 A 23 ARG H A 20 VAL HG1% 1.0 . 5.49 739 661 A 20 VAL HG2% A 23 ARG H 1.0 . 5.49 740 662 A 30 TRP H A 20 VAL HG1% 1.0 . 5.26 741 662 A 20 VAL HG2% A 30 TRP H 1.0 . 5.26 742 663 A 30 TRP HE3 A 20 VAL HG1% 1.0 . 5.50 743 663 A 20 VAL HG2% A 30 TRP HE3 1.0 . 5.50 744 664 A 34 PHE H A 29 VAL HGy% 1.0 . 5.50 745 665 A 3 ARG HGy A 13 GLN HE2x 1.0 . 5.26 746 666 A 3 ARG HBy A 4 TYR HE% 1.0 . 5.37 747 667 A 3 ARG HGy A 13 GLN HE2y 1.0 . 5.36 748 668 A 19 LEU HBx A 5 TRP HD1 1.0 . 5.36 749 669 A 5 TRP HD1 A 20 VAL HG1% 1.0 . 5.50 750 669 A 20 VAL HG2% A 5 TRP HD1 1.0 . 5.50 751 670 A 19 LEU HBy A 30 TRP HE3 1.0 . 5.50 752 671 A 7 GLY HAy A 27 TRP HA 1.0 . 5.50 753 672 A 27 TRP HA A 21 CYS HA 1.0 . 5.50 754 673 A 27 TRP HA A 9 CYS HA 1.0 . 5.23 755 674 A 19 LEU HA A 20 VAL HA 1.0 . 5.50 756 675 A 19 LEU HA A 31 ASP HA 1.0 . 5.50 757 676 A 8 GLY HAx A 9 CYS HA 1.0 . 5.50 758 677 A 13 GLN HA A 9 CYS HA 1.0 . 5.50 759 678 A 28 CYS HA A 21 CYS HA 1.0 . 5.29 760 679 A 30 TRP H A 19 LEU HA 1.0 . 5.08 761 680 A 30 TRP H A 29 VAL HA 1.0 . 2.92 762 681 A 13 GLN HE2x A 9 CYS HA 1.0 . 5.34 763 682 A 13 GLN HE2y A 9 CYS HA 1.0 . 5.25 764 683 A 13 GLN HE2x A 2 CYS HA 1.0 . 5.38 765 684 A 4 TYR H A 15 CYS HA 1.0 . 5.50 766 685 A 22 SER H A 29 VAL HA 1.0 . 5.50 767 686 A 18 HIS H A 19 LEU HA 1.0 . 5.50 768 687 A 22 SER HBy A 28 CYS HA 1.0 . 5.45 769 688 A 10 SER HBx A 9 CYS HA 1.0 . 5.30 770 689 A 22 SER HBy A 27 TRP HA 1.0 . 5.18 771 690 A 3 ARG HA A 19 LEU HD1% 1.0 . 5.50 772 690 A 19 LEU HD2% A 3 ARG HA 1.0 . 5.50 773 691 A 18 HIS HA A 19 LEU HD1% 1.0 . 5.50 774 691 A 18 HIS HA A 19 LEU HD2% 1.0 . 5.50 775 692 A 28 CYS HBx A 4 TYR HA 1.0 . 5.05 776 693 A 6 LEU HDy% A 5 TRP HBy 1.0 . 5.25 777 694 A 6 LEU HG A 5 TRP HBy 1.0 . 5.29 778 695 A 29 VAL HGy% A 6 LEU HDy% 1.0 . 5.36 779 696 A 6 LEU HDx% A 5 TRP HA 1.0 . 5.47 780 697 A 2 CYS HBx A 19 LEU HD1% 1.0 . 5.28 781 697 A 19 LEU HD2% A 2 CYS HBx 1.0 . 5.28 782 698 A 5 TRP HBx A 19 LEU HD1% 1.0 . 4.19 783 698 A 19 LEU HD2% A 5 TRP HBx 1.0 . 4.19 784 699 A 4 TYR HBy A 19 LEU HD1% 1.0 . 3.76 785 699 A 19 LEU HD2% A 4 TYR HBy 1.0 . 3.76 786 700 A 27 TRP HE1 A 5 TRP HD1 1.0 . 5.50 787 701 A 29 VAL H A 5 TRP HD1 1.0 . 5.14 788 702 A 6 LEU H A 5 TRP HE1 1.0 . 5.11 789 703 A 6 LEU H A 27 TRP HE1 1.0 . 5.40 790 704 A 20 VAL H A 22 SER H 1.0 . 5.34 791 705 A 20 VAL H A 30 TRP H 1.0 . 5.25 792 706 A 7 GLY H A 4 TYR HD% 1.0 . 5.04 793 707 A 3 ARG H A 13 GLN HE2x 1.0 . 5.11 794 708 A 3 ARG H A 13 GLN HE2y 1.0 . 5.50 795 709 A 27 TRP HD1 A 7 GLY H 1.0 . 5.13 796 710 A 25 HIS HE1 A 27 TRP HH2 1.0 . 5.50 797 711 A 9 CYS H A 27 TRP H 1.0 . 4.93 798 712 A 9 CYS H A 13 GLN HE2y 1.0 . 5.02 799 713 A 26 GLY H A 24 ARG H 1.0 . 4.91 800 714 A 30 TRP H A 30 TRP HE1 1.0 . 5.19 801 715 A 5 TRP HH2 A 30 TRP HE1 1.0 . 5.23 802 716 A 7 GLY H A 5 TRP HD1 1.0 . 5.35 803 717 A 7 GLY HAy A 19 LEU HD1% 1.0 . 5.50 804 717 A 19 LEU HD2% A 7 GLY HAy 1.0 . 5.50 805 718 A 28 CYS HBy A 4 TYR HA 1.0 . 5.30 806 719 A 2 CYS HA A 1 GLU HA 1.0 . 5.15 807 720 A 31 ASP HA A 32 GLY HAy 1.0 . 5.11 808 721 A 22 SER HBx A 21 CYS HA 1.0 . 5.50 809 722 A 34 PHE HA A 35 SER HA 1.0 . 5.50 810 723 A 29 VAL HGy% A 5 TRP HE1 1.0 . 5.25 811 724 A 6 LEU HG A 27 TRP HE1 1.0 . 5.39 812 725 A 7 GLY H A 6 LEU HDx% 1.0 . 5.50 813 726 A 7 GLY H A 6 LEU HG 1.0 . 5.12 814 727 A 30 TRP H A 6 LEU HDy% 1.0 . 5.39 815 728 A 6 LEU HBy A 27 TRP HE1 1.0 . 5.50 816 729 A 30 TRP HBx A 5 TRP HE1 1.0 . 5.32 817 730 A 5 TRP HE1 A 5 TRP HA 1.0 . 5.04 818 731 A 22 SER HBy A 27 TRP HE1 1.0 . 5.05 819 732 A 20 VAL H A 21 CYS HA 1.0 . 5.35 820 733 A 6 LEU HDy% A 27 TRP HA 1.0 . 5.50 821 734 A 6 LEU HDx% A 27 TRP HE3 1.0 . 5.50 822 735 A 27 TRP HD1 A 6 LEU HG 1.0 . 5.05 823 736 A 6 LEU HG A 4 TYR HD% 1.0 . 5.50 824 737 A 6 LEU HG A 5 TRP HZ2 1.0 . 5.50 825 738 A 3 ARG HGx A 13 GLN HE2y 1.0 . 5.48 826 739 A 3 ARG HGx A 9 CYS HA 1.0 . 5.40 827 740 A 28 CYS HA A 5 TRP HA 1.0 . 5.50 828 741 A 27 TRP HBx A 27 TRP HE1 1.0 . 5.23 829 742 A 3 ARG H A 13 GLN HB2 1.0 . 5.50 830 742 A 3 ARG H A 13 GLN HB3 1.0 . 5.50 831 743 A 15 CYS H A 13 GLN HB2 1.0 . 5.50 832 743 A 15 CYS H A 13 GLN HB3 1.0 . 5.50 833 744 A 18 HIS H A 19 LEU HD1% 1.0 . 5.16 834 744 A 18 HIS H A 19 LEU HD2% 1.0 . 5.16 835 745 A 10 SER H A 9 CYS HA 1.0 . 3.09 836 746 A 9 CYS H A 9 CYS HBx 1.0 . 3.41 837 746 A 9 CYS H A 9 CYS HBy 1.0 . 3.41 838 747 A 10 SER H A 9 CYS HBx 1.0 . 3.51 839 747 A 10 SER H A 9 CYS HBy 1.0 . 3.51 840 748 A 10 SER HA A 9 CYS HBx 1.0 . 5.13 841 748 A 10 SER HA A 9 CYS HBy 1.0 . 5.13 842 749 A 9 CYS HBx A 13 GLN HB2 1.0 . 3.66 843 749 A 9 CYS HBy A 13 GLN HB2 1.0 . 3.66 844 749 A 13 GLN HB3 A 9 CYS HBx 1.0 . 3.66 845 749 A 13 GLN HB3 A 9 CYS HBy 1.0 . 3.66 846 750 A 14 THR HA A 9 CYS HBx 1.0 . 4.44 847 750 A 14 THR HA A 9 CYS HBy 1.0 . 4.44 848 751 A 15 CYS H A 9 CYS HBx 1.0 . 5.34 849 751 A 15 CYS H A 9 CYS HBy 1.0 . 5.34 850 752 A 21 CYS HA A 9 CYS HBx 1.0 . 4.65 851 752 A 21 CYS HA A 9 CYS HBy 1.0 . 4.65 852 753 A 9 CYS HBx A 21 CYS HBx 1.0 . 3.63 853 753 A 21 CYS HBy A 9 CYS HBx 1.0 . 3.63 854 753 A 9 CYS HBy A 21 CYS HBy 1.0 . 3.63 855 753 A 9 CYS HBy A 21 CYS HBx 1.0 . 3.63 856 754 A 27 TRP HA A 9 CYS HBx 1.0 . 5.34 857 754 A 27 TRP HA A 9 CYS HBy 1.0 . 5.34 858 755 A 28 CYS H A 9 CYS HBx 1.0 . 5.34 859 755 A 28 CYS H A 9 CYS HBy 1.0 . 5.34 860 756 A 28 CYS HA A 9 CYS HBx 1.0 . 4.70 861 756 A 28 CYS HA A 9 CYS HBy 1.0 . 4.70 862 757 A 11 ALA HB% A 12 GLY HAx 1.0 . 4.55 863 757 A 11 ALA HB% A 12 GLY HAy 1.0 . 4.55 864 758 A 13 GLN H A 12 GLY HAx 1.0 . 2.96 865 758 A 13 GLN H A 12 GLY HAy 1.0 . 2.96 866 759 A 17 LYS H A 17 LYS HGy 1.0 . 4.51 867 759 A 17 LYS H A 17 LYS HGx 1.0 . 4.51 868 760 A 17 LYS HA A 17 LYS HGy 1.0 . 3.37 869 760 A 17 LYS HA A 17 LYS HGx 1.0 . 3.37 870 761 A 17 LYS HE2 A 17 LYS HGy 1.0 . 3.57 871 761 A 17 LYS HE3 A 17 LYS HGy 1.0 . 3.57 872 761 A 17 LYS HGx A 17 LYS HE2 1.0 . 3.57 873 761 A 17 LYS HE3 A 17 LYS HGx 1.0 . 3.57 874 762 A 18 HIS H A 17 LYS HGy 1.0 . 3.17 875 762 A 18 HIS H A 17 LYS HGx 1.0 . 3.17 876 763 A 17 LYS HGy A 18 HIS HBx 1.0 . 4.86 877 763 A 17 LYS HGx A 18 HIS HBx 1.0 . 4.86 878 763 A 18 HIS HBy A 17 LYS HGy 1.0 . 4.86 879 763 A 17 LYS HGx A 18 HIS HBy 1.0 . 4.86 880 764 A 18 HIS H A 18 HIS HBx 1.0 . 3.66 881 764 A 18 HIS H A 18 HIS HBy 1.0 . 3.66 882 765 A 18 HIS HD2 A 18 HIS HBx 1.0 . 3.21 883 765 A 18 HIS HD2 A 18 HIS HBy 1.0 . 3.21 884 766 A 19 LEU HA A 18 HIS HBx 1.0 . 5.19 885 766 A 19 LEU HA A 18 HIS HBy 1.0 . 5.19 886 767 A 19 LEU HG A 18 HIS HBx 1.0 . 4.37 887 767 A 19 LEU HG A 18 HIS HBy 1.0 . 4.37 888 768 A 18 HIS HBx A 19 LEU HD1% 1.0 . 4.22 889 768 A 19 LEU HD2% A 18 HIS HBx 1.0 . 4.22 890 768 A 19 LEU HD2% A 18 HIS HBy 1.0 . 4.22 891 768 A 18 HIS HBy A 19 LEU HD1% 1.0 . 4.22 892 769 A 30 TRP HA A 18 HIS HBx 1.0 . 5.14 893 769 A 30 TRP HA A 18 HIS HBy 1.0 . 5.14 894 770 A 30 TRP HE3 A 18 HIS HBx 1.0 . 3.32 895 770 A 30 TRP HE3 A 18 HIS HBy 1.0 . 3.32 896 771 A 30 TRP HZ3 A 18 HIS HBx 1.0 . 3.38 897 771 A 30 TRP HZ3 A 18 HIS HBy 1.0 . 3.38 898 772 A 31 ASP H A 18 HIS HBx 1.0 . 4.12 899 772 A 31 ASP H A 18 HIS HBy 1.0 . 4.12 900 773 A 20 VAL HA A 21 CYS HBx 1.0 . 4.58 901 773 A 20 VAL HA A 21 CYS HBy 1.0 . 4.58 902 774 A 20 VAL HG2% A 21 CYS HBx 1.0 . 4.80 903 774 A 21 CYS HBy A 20 VAL HG1% 1.0 . 4.80 904 774 A 20 VAL HG2% A 21 CYS HBy 1.0 . 4.80 905 774 A 20 VAL HG1% A 21 CYS HBx 1.0 . 4.80 906 775 A 22 SER HA A 23 ARG HBy 1.0 . 4.72 907 775 A 22 SER HA A 23 ARG HBx 1.0 . 4.72 908 776 A 22 SER HA A 23 ARG HGy 1.0 . 5.31 909 776 A 22 SER HA A 23 ARG HGx 1.0 . 5.31 910 777 A 23 ARG H A 23 ARG HBy 1.0 . 2.64 911 777 A 23 ARG H A 23 ARG HBx 1.0 . 2.64 912 778 A 23 ARG H A 23 ARG HGy 1.0 . 3.23 913 778 A 23 ARG H A 23 ARG HGx 1.0 . 3.23 914 779 A 23 ARG H A 24 ARG HGy 1.0 . 4.71 915 779 A 23 ARG H A 24 ARG HGx 1.0 . 4.71 916 780 A 23 ARG HA A 23 ARG HBy 1.0 . 2.53 917 780 A 23 ARG HA A 23 ARG HBx 1.0 . 2.53 918 781 A 23 ARG HBx A 23 ARG HGy 1.0 . 2.27 919 781 A 23 ARG HBy A 23 ARG HGy 1.0 . 2.27 920 781 A 23 ARG HGx A 23 ARG HBy 1.0 . 2.27 921 781 A 23 ARG HBx A 23 ARG HGx 1.0 . 2.27 922 782 A 23 ARG HBx A 23 ARG HD2 1.0 . 3.40 923 782 A 23 ARG HBy A 23 ARG HD2 1.0 . 3.40 924 782 A 23 ARG HD3 A 23 ARG HBy 1.0 . 3.40 925 782 A 23 ARG HD3 A 23 ARG HBx 1.0 . 3.40 926 783 A 23 ARG HE A 23 ARG HBy 1.0 . 4.59 927 783 A 23 ARG HE A 23 ARG HBx 1.0 . 4.59 928 784 A 24 ARG H A 23 ARG HBy 1.0 . 3.24 929 784 A 24 ARG H A 23 ARG HBx 1.0 . 3.24 930 785 A 24 ARG HA A 23 ARG HBy 1.0 . 4.50 931 785 A 24 ARG HA A 23 ARG HBx 1.0 . 4.50 932 786 A 24 ARG HBx A 23 ARG HBy 1.0 . 5.23 933 786 A 24 ARG HBx A 23 ARG HBx 1.0 . 5.23 934 787 A 23 ARG HBx A 24 ARG HGy 1.0 . 4.09 935 787 A 24 ARG HGx A 23 ARG HBy 1.0 . 4.09 936 787 A 23 ARG HBx A 24 ARG HGx 1.0 . 4.09 937 787 A 23 ARG HBy A 24 ARG HGy 1.0 . 4.09 938 788 A 25 HIS H A 23 ARG HBy 1.0 . 5.34 939 788 A 25 HIS H A 23 ARG HBx 1.0 . 5.34 940 789 A 24 ARG H A 23 ARG HGy 1.0 . 4.39 941 789 A 24 ARG H A 23 ARG HGx 1.0 . 4.39 942 790 A 24 ARG H A 24 ARG HGy 1.0 . 2.90 943 790 A 24 ARG H A 24 ARG HGx 1.0 . 2.90 944 791 A 24 ARG HA A 24 ARG HGy 1.0 . 3.21 945 791 A 24 ARG HA A 24 ARG HGx 1.0 . 3.21 946 792 A 25 HIS H A 24 ARG HGy 1.0 . 5.01 947 792 A 25 HIS H A 24 ARG HGx 1.0 . 5.01 948 793 A 25 HIS HD2 A 24 ARG HGy 1.0 . 5.34 949 793 A 25 HIS HD2 A 24 ARG HGx 1.0 . 5.34 950 794 A 31 ASP HA A 32 GLY HAx 1.0 . 4.33 951 794 A 31 ASP HA A 32 GLY HAy 1.0 . 4.33 952 795 A 33 THR H A 32 GLY HAx 1.0 . 3.07 953 795 A 33 THR H A 32 GLY HAy 1.0 . 3.07 954 796 A 33 THR HG2% A 32 GLY HAx 1.0 . 4.67 955 796 A 33 THR HG2% A 32 GLY HAy 1.0 . 4.67 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLU C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -77.0 -49.0 PHI 2 2 A 4 TYR C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -70.0 -50.0 PHI 3 3 A 6 LEU C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -137.0 -41.0 PHI 4 4 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 CYS N 1.0 84.0 192.0 PSI 5 5 A 8 GLY C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -171.0 -47.0 PHI 6 6 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 SER N 1.0 76.0 204.0 PSI 7 7 A 9 CYS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -158.0 -18.0 PHI 8 8 A 10 SER N A 10 SER CA A 10 SER C A 11 ALA N 1.0 110.0 194.0 PSI 9 9 A 10 SER C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -180.0 -20.0 PHI 10 10 A 12 GLY C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -116.0 -52.0 PHI 11 11 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 THR N 1.0 82.0 182.0 PSI 12 12 A 13 GLN C A 14 THR N A 14 THR CA A 14 THR C 1.0 -163.0 -39.0 PHI 13 13 A 14 THR N A 14 THR CA A 14 THR C A 15 CYS N 1.0 97.0 177.0 PSI 14 14 A 14 THR C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -166.0 -38.0 PHI 15 15 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 CYS N 1.0 104.0 188.0 PSI 16 16 A 16 CYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -89.0 -45.0 PHI 17 17 A 17 LYS C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 46.0 74.0 PHI 18 18 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 LEU N 1.0 13.0 61.0 PSI 19 19 A 18 HIS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -153.0 -53.0 PHI 20 20 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 VAL N 1.0 134.0 178.0 PSI 21 21 A 19 LEU C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -159.0 -99.0 PHI 22 22 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 125.0 173.0 PSI 23 23 A 21 CYS C A 22 SER N A 22 SER CA A 22 SER C 1.0 -161.0 -17.0 PHI 24 24 A 22 SER N A 22 SER CA A 22 SER C A 23 ARG N 1.0 78.0 166.0 PSI 25 25 A 22 SER C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -70.0 -54.0 PHI 26 26 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ARG N 1.0 -28.0 -8.0 PSI 27 27 A 23 ARG C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -106.0 -50.0 PHI 28 28 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 HIS N 1.0 -69.0 27.0 PSI 29 29 A 25 HIS C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 57.0 89.0 PHI 30 30 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 TRP N 1.0 8.0 60.0 PSI 31 31 A 26 GLY C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -160.0 -68.0 PHI 32 32 A 27 TRP C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -174.0 -46.0 PHI 33 33 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 VAL N 1.0 96.0 200.0 PSI 34 34 A 28 CYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -151.0 -115.0 PHI 35 35 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 TRP N 1.0 145.0 185.0 PSI 36 36 A 29 VAL C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -125.0 -49.0 PHI 37 37 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ASP N 1.0 116.0 176.0 PSI 38 38 A 30 TRP C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -138.0 -22.0 PHI 39 39 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLY N 1.0 108.0 184.0 PSI 40 40 A 32 GLY C A 33 THR N A 33 THR CA A 33 THR C 1.0 -124.0 -64.0 PHI 41 41 A 33 THR N A 33 THR CA A 33 THR C A 34 PHE N 1.0 -61.0 19.0 PSI 42 42 A 33 THR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -124.0 -48.0 PHI 43 43 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 SER N 1.0 72.0 192.0 PSI stop_ save_