data_nef_c30525_6mm4 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6MM4 stop_ 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 24 CYS SG 1 14 CYS SG 1 26 CYS SG 1 20 CYS SG 1 32 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 GLY start . false 2 A 2 CYS middle -HG . 3 A 3 PRO middle . false 4 A 4 ARG middle . . 5 A 5 PRO middle . false 6 A 6 ARG middle . . 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 ASN middle . . 10 A 10 PRO middle . false 11 A 11 PRO middle . false 12 A 12 LEU middle . . 13 A 13 THR middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 ASP middle . . 18 A 18 SER middle . . 19 A 19 ASP middle . . 20 A 20 CYS middle -HG . 21 A 21 LEU middle . . 22 A 22 ALA middle . . 23 A 23 GLY middle . false 24 A 24 CYS middle -HG . 25 A 25 VAL middle . . 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 PRO middle . false 29 A 29 ASN middle . . 30 A 30 GLY middle . false 31 A 31 PHE middle . . 32 A 32 CYS middle -HG . 33 A 33 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 GLY HAy H 1 3.838 0.000 A 1 GLY HAx H 1 3.744 0.000 A 1 GLY C C 13 168.999 0.000 A 1 GLY CA C 13 43.186 0.000 A 2 CYS H H 1 8.798 0.000 A 2 CYS HA H 1 4.890 0.000 A 2 CYS HBy H 1 3.100 0.000 A 2 CYS HBx H 1 2.850 0.000 A 2 CYS CA C 13 52.558 0.000 A 2 CYS CB C 13 41.086 0.000 A 2 CYS N N 15 121.036 0.000 A 3 PRO HA H 1 4.333 0.000 A 3 PRO HBy H 1 2.215 0.000 A 3 PRO HBx H 1 1.800 0.000 A 3 PRO HDy H 1 4.078 0.000 A 3 PRO HDx H 1 3.715 0.000 A 3 PRO HGy H 1 2.040 0.000 A 3 PRO HGx H 1 1.965 0.000 A 3 PRO C C 13 175.783 0.000 A 3 PRO CA C 13 63.048 0.000 A 3 PRO CB C 13 31.983 0.000 A 3 PRO CD C 13 51.613 0.000 A 3 PRO CG C 13 27.598 0.000 A 4 ARG H H 1 8.349 0.000 A 4 ARG HA H 1 4.530 0.000 A 4 ARG HBy H 1 1.800 0.000 A 4 ARG HBx H 1 1.685 0.000 A 4 ARG HD2 H 1 3.193 0.000 A 4 ARG HD3 H 1 3.193 0.000 A 4 ARG HG2 H 1 1.716 0.000 A 4 ARG HG3 H 1 1.716 0.000 A 4 ARG CA C 13 53.752 0.000 A 4 ARG CB C 13 29.852 0.000 A 4 ARG CD C 13 43.130 0.000 A 4 ARG CG C 13 26.780 0.000 A 4 ARG N N 15 122.960 0.000 A 5 PRO HA H 1 4.365 0.000 A 5 PRO HB2 H 1 2.189 0.000 A 5 PRO HB3 H 1 2.189 0.000 A 5 PRO HDy H 1 3.867 0.000 A 5 PRO HDx H 1 3.535 0.000 A 5 PRO HG2 H 1 1.901 0.000 A 5 PRO HG3 H 1 1.901 0.000 A 5 PRO C C 13 176.386 0.000 A 5 PRO CA C 13 62.756 0.000 A 5 PRO CB C 13 32.462 0.000 A 5 PRO CD C 13 50.602 0.000 A 5 PRO CG C 13 27.510 0.000 A 6 ARG H H 1 8.508 0.000 A 6 ARG HA H 1 4.294 0.000 A 6 ARG HBy H 1 1.810 0.000 A 6 ARG HBx H 1 1.730 0.000 A 6 ARG HD2 H 1 3.179 0.000 A 6 ARG HD3 H 1 3.179 0.000 A 6 ARG HGy H 1 1.665 0.000 A 6 ARG HGx H 1 1.604 0.000 A 6 ARG C C 13 177.180 0.000 A 6 ARG CA C 13 55.826 0.001 A 6 ARG CB C 13 31.126 0.000 A 6 ARG CD C 13 43.224 0.000 A 6 ARG CG C 13 27.095 0.000 A 6 ARG N N 15 121.307 0.000 A 7 GLY H H 1 8.559 0.000 A 7 GLY HAy H 1 3.912 0.000 A 7 GLY HAx H 1 3.768 0.000 A 7 GLY C C 13 174.113 0.000 A 7 GLY CA C 13 46.045 0.004 A 7 GLY N N 15 110.679 0.000 A 8 ASP H H 1 8.467 0.000 A 8 ASP HA H 1 4.600 0.000 A 8 ASP HBy H 1 2.693 0.000 A 8 ASP HBx H 1 2.586 0.000 A 8 ASP C C 13 175.771 0.000 A 8 ASP CA C 13 53.742 0.001 A 8 ASP CB C 13 40.288 0.033 A 8 ASP N N 15 121.286 0.000 A 9 ASN H H 1 7.924 0.000 A 9 ASN HA H 1 4.840 0.000 A 9 ASN HBy H 1 2.725 0.000 A 9 ASN HBx H 1 2.669 0.000 A 9 ASN HD2y H 1 7.554 0.000 A 9 ASN HD2x H 1 6.959 0.000 A 9 ASN CA C 13 51.868 0.000 A 9 ASN CB C 13 38.803 0.000 A 9 ASN N N 15 119.512 0.000 A 9 ASN ND2 N 15 113.545 0.000 A 10 PRO HA H 1 4.668 0.000 A 10 PRO HBy H 1 2.257 0.000 A 10 PRO HBx H 1 1.970 0.000 A 10 PRO HDy H 1 3.771 0.008 A 10 PRO HDx H 1 3.656 0.007 A 10 PRO HG2 H 1 2.005 0.000 A 10 PRO HG3 H 1 2.005 0.000 A 10 PRO CA C 13 61.374 0.000 A 10 PRO CB C 13 30.655 0.000 A 10 PRO CD C 13 50.320 0.000 A 10 PRO CG C 13 27.100 0.000 A 11 PRO HA H 1 4.378 0.000 A 11 PRO HBy H 1 2.248 0.000 A 11 PRO HBx H 1 1.888 0.000 A 11 PRO HDy H 1 3.619 0.008 A 11 PRO HDx H 1 3.379 0.007 A 11 PRO HG2 H 1 1.766 0.000 A 11 PRO HG3 H 1 1.766 0.000 A 11 PRO C C 13 175.856 0.000 A 11 PRO CA C 13 62.334 0.000 A 11 PRO CB C 13 32.359 0.000 A 11 PRO CD C 13 50.082 0.000 A 11 PRO CG C 13 27.210 0.000 A 12 LEU H H 1 8.532 0.000 A 12 LEU HA H 1 4.388 0.000 A 12 LEU HBy H 1 1.632 0.000 A 12 LEU HBx H 1 1.602 0.000 A 12 LEU HDx% H 1 1.004 0.024 A 12 LEU HDy% H 1 0.963 0.024 A 12 LEU HG H 1 1.782 0.000 A 12 LEU C C 13 177.038 0.000 A 12 LEU CA C 13 55.066 0.001 A 12 LEU CB C 13 43.204 0.003 A 12 LEU CD1 C 13 25.026 0.000 A 12 LEU CD2 C 13 23.660 0.000 A 12 LEU CG C 13 26.872 0.000 A 12 LEU N N 15 122.318 0.000 A 13 THR H H 1 7.875 0.000 A 13 THR HA H 1 4.620 0.000 A 13 THR HB H 1 4.127 0.000 A 13 THR HG2% H 1 1.068 0.000 A 13 THR C C 13 173.759 0.000 A 13 THR CA C 13 61.119 0.003 A 13 THR CB C 13 70.317 0.002 A 13 THR CG2 C 13 22.526 0.000 A 13 THR N N 15 113.973 0.000 A 14 CYS H H 1 8.117 0.000 A 14 CYS HA H 1 4.910 0.000 A 14 CYS HB2 H 1 3.122 0.010 A 14 CYS HB3 H 1 3.186 0.009 A 14 CYS C C 13 172.859 0.000 A 14 CYS CA C 13 53.976 0.004 A 14 CYS CB C 13 47.736 0.005 A 14 CYS N N 15 114.868 0.000 A 15 SER H H 1 9.470 0.000 A 15 SER HA H 1 4.535 0.000 A 15 SER HB2 H 1 3.833 0.000 A 15 SER HB3 H 1 3.791 0.000 A 15 SER C C 13 173.236 0.000 A 15 SER CA C 13 58.886 0.002 A 15 SER CB C 13 65.024 0.009 A 15 SER N N 15 113.677 0.000 A 16 GLN H H 1 8.038 0.000 A 16 GLN HA H 1 4.741 0.000 A 16 GLN HBy H 1 2.220 0.028 A 16 GLN HBx H 1 2.016 0.028 A 16 GLN HE2y H 1 7.630 0.000 A 16 GLN HE2x H 1 6.701 0.000 A 16 GLN HG2 H 1 2.166 0.008 A 16 GLN HG3 H 1 2.166 0.008 A 16 GLN C C 13 176.326 0.000 A 16 GLN CA C 13 53.858 0.004 A 16 GLN CB C 13 31.288 0.005 A 16 GLN CG C 13 31.964 0.000 A 16 GLN N N 15 118.459 0.000 A 16 GLN NE2 N 15 112.724 0.000 A 17 ASP H H 1 9.161 0.000 A 17 ASP HA H 1 4.094 0.000 A 17 ASP HBy H 1 2.756 0.000 A 17 ASP HBx H 1 2.661 0.000 A 17 ASP C C 13 178.387 0.000 A 17 ASP CA C 13 58.969 0.043 A 17 ASP CB C 13 39.587 0.003 A 17 ASP N N 15 124.026 0.000 A 18 SER H H 1 8.367 0.000 A 18 SER HA H 1 4.212 0.000 A 18 SER HBy H 1 4.071 0.000 A 18 SER HBx H 1 3.783 0.000 A 18 SER C C 13 175.037 0.000 A 18 SER CA C 13 60.097 0.001 A 18 SER CB C 13 62.115 0.025 A 18 SER N N 15 112.078 0.000 A 19 ASP H H 1 7.657 0.000 A 19 ASP HA H 1 4.560 0.000 A 19 ASP HB2 H 1 2.971 0.000 A 19 ASP HB3 H 1 2.971 0.000 A 19 ASP C C 13 176.265 0.000 A 19 ASP CA C 13 56.046 0.035 A 19 ASP CB C 13 42.098 0.027 A 19 ASP N N 15 120.585 0.000 A 20 CYS H H 1 7.844 0.000 A 20 CYS HA H 1 4.850 0.000 A 20 CYS HBy H 1 3.117 0.000 A 20 CYS HBx H 1 2.760 0.000 A 20 CYS C C 13 174.575 0.000 A 20 CYS CA C 13 52.205 0.003 A 20 CYS CB C 13 40.173 0.006 A 20 CYS N N 15 117.188 0.000 A 21 LEU H H 1 8.358 0.000 A 21 LEU HA H 1 4.179 0.000 A 21 LEU HBy H 1 1.651 0.000 A 21 LEU HBx H 1 1.482 0.000 A 21 LEU HDx% H 1 0.892 0.024 A 21 LEU HDy% H 1 0.870 0.024 A 21 LEU HG H 1 1.765 0.000 A 21 LEU C C 13 176.581 0.000 A 21 LEU CA C 13 54.959 0.044 A 21 LEU CB C 13 42.454 0.003 A 21 LEU CD1 C 13 25.414 0.000 A 21 LEU CD2 C 13 22.462 0.000 A 21 LEU CG C 13 26.911 0.000 A 21 LEU N N 15 120.819 0.000 A 22 ALA H H 1 8.078 0.000 A 22 ALA HA H 1 4.047 0.000 A 22 ALA HB% H 1 1.334 0.000 A 22 ALA C C 13 178.282 0.000 A 22 ALA CA C 13 53.884 0.004 A 22 ALA CB C 13 18.096 0.008 A 22 ALA N N 15 121.532 0.000 A 23 GLY H H 1 8.581 0.000 A 23 GLY HA2 H 1 4.470 0.000 A 23 GLY HA3 H 1 3.508 0.000 A 23 GLY C C 13 174.305 0.000 A 23 GLY CA C 13 44.496 0.006 A 23 GLY N N 15 110.212 0.000 A 24 CYS H H 1 8.341 0.000 A 24 CYS HA H 1 4.840 0.000 A 24 CYS HB2 H 1 3.504 0.000 A 24 CYS HB3 H 1 3.089 0.000 A 24 CYS C C 13 172.778 0.000 A 24 CYS CA C 13 55.092 0.006 A 24 CYS CB C 13 46.231 0.006 A 24 CYS N N 15 119.067 0.000 A 25 VAL H H 1 9.339 0.000 A 25 VAL HA H 1 4.360 0.000 A 25 VAL HB H 1 2.110 0.000 A 25 VAL HGx% H 1 0.784 0.000 A 25 VAL HGy% H 1 0.738 0.000 A 25 VAL C C 13 175.246 0.000 A 25 VAL CA C 13 59.418 0.019 A 25 VAL CB C 13 34.936 0.017 A 25 VAL CG1 C 13 21.585 0.001 A 25 VAL CG2 C 13 18.605 0.000 A 25 VAL N N 15 115.596 0.000 A 26 CYS H H 1 9.338 0.000 A 26 CYS HA H 1 4.810 0.000 A 26 CYS HBy H 1 2.846 0.000 A 26 CYS HBx H 1 2.414 0.000 A 26 CYS C C 13 174.966 0.000 A 26 CYS CA C 13 55.262 0.015 A 26 CYS CB C 13 38.635 0.017 A 26 CYS N N 15 123.416 0.000 A 27 GLY H H 1 8.296 0.000 A 27 GLY HA2 H 1 4.120 0.000 A 27 GLY HA3 H 1 4.350 0.000 A 27 GLY CA C 13 45.377 0.000 A 27 GLY N N 15 117.828 0.000 A 28 PRO HA H 1 4.359 0.000 A 28 PRO HB2 H 1 1.964 0.000 A 28 PRO HB3 H 1 2.318 0.000 A 28 PRO HDy H 1 3.734 0.000 A 28 PRO HDx H 1 3.659 0.000 A 28 PRO HGy H 1 2.042 0.000 A 28 PRO HGx H 1 1.965 0.000 A 28 PRO C C 13 176.696 0.000 A 28 PRO CA C 13 64.422 0.000 A 28 PRO CB C 13 31.593 0.000 A 28 PRO CD C 13 49.879 0.000 A 28 PRO CG C 13 27.133 0.000 A 29 ASN H H 1 8.006 0.000 A 29 ASN HA H 1 4.660 0.000 A 29 ASN HBy H 1 3.075 0.000 A 29 ASN HBx H 1 2.962 0.000 A 29 ASN HD2y H 1 7.704 0.000 A 29 ASN HD2x H 1 6.983 0.000 A 29 ASN C C 13 175.387 0.000 A 29 ASN CA C 13 52.323 0.017 A 29 ASN CB C 13 37.738 0.016 A 29 ASN N N 15 114.044 0.000 A 29 ASN ND2 N 15 111.625 0.000 A 30 GLY H H 1 8.183 0.000 A 30 GLY HAy H 1 3.831 0.000 A 30 GLY HAx H 1 3.606 0.000 A 30 GLY C C 13 173.768 0.000 A 30 GLY CA C 13 46.608 0.011 A 30 GLY N N 15 106.806 0.000 A 31 PHE H H 1 7.064 0.000 A 31 PHE HA H 1 5.339 0.000 A 31 PHE HB2 H 1 2.644 0.000 A 31 PHE HB3 H 1 2.952 0.000 A 31 PHE HD1 H 1 6.890 0.000 A 31 PHE HD2 H 1 6.890 0.000 A 31 PHE HE1 H 1 7.250 0.000 A 31 PHE HE2 H 1 7.250 0.000 A 31 PHE HZ H 1 7.226 0.000 A 31 PHE C C 13 176.772 0.000 A 31 PHE CA C 13 56.037 0.000 A 31 PHE CB C 13 42.332 0.000 A 31 PHE CD1 C 13 130.000 0.000 A 31 PHE CD2 C 13 130.000 0.000 A 31 PHE CE1 C 13 129.300 0.000 A 31 PHE CE2 C 13 129.300 0.000 A 31 PHE CZ C 13 127.583 0.000 A 31 PHE N N 15 114.333 0.000 A 32 CYS H H 1 8.805 0.000 A 32 CYS HA H 1 5.042 0.000 A 32 CYS HB2 H 1 2.934 0.000 A 32 CYS HB3 H 1 2.934 0.000 A 32 CYS C C 13 175.847 0.000 A 32 CYS CA C 13 55.572 0.000 A 32 CYS CB C 13 42.373 0.000 A 32 CYS N N 15 123.580 0.000 A 33 GLY H H 1 9.171 0.000 A 33 GLY HAy H 1 4.120 0.000 A 33 GLY HAx H 1 3.817 0.000 A 33 GLY CA C 13 47.848 0.000 A 33 GLY N N 15 117.484 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _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 30 GLY H A 31 PHE HB2 1.0 . 4.87 2 2 A 30 GLY H A 28 PRO HB2 1.0 . 5.20 3 3 A 30 GLY H A 29 ASN H 1.0 . 3.30 4 4 A 30 GLY H A 31 PHE H 1.0 . 3.27 5 5 A 30 GLY H A 27 GLY HA3 1.0 . 4.90 6 6 A 30 GLY H A 28 PRO HA 1.0 . 5.07 7 7 A 30 GLY H A 28 PRO HB3 1.0 . 5.50 8 8 A 22 ALA HA A 23 GLY H 1.0 . 2.86 9 9 A 23 GLY H A 22 ALA HB% 1.0 . 3.64 10 10 A 7 GLY H A 9 ASN H 1.0 . 5.26 11 11 A 29 ASN HA A 29 ASN HD2y 1.0 . 5.27 12 12 A 29 ASN HA A 29 ASN HD2x 1.0 . 5.27 13 13 A 18 SER H A 18 SER HBy 1.0 . 3.63 14 14 A 18 SER H A 19 ASP HB2 1.0 . 4.96 15 14 A 18 SER H A 19 ASP HB3 1.0 . 4.96 16 15 A 18 SER H A 17 ASP H 1.0 . 3.73 17 16 A 18 SER H A 16 GLN HG2 1.0 . 3.38 18 16 A 18 SER H A 16 GLN HG3 1.0 . 3.38 19 17 A 18 SER H A 18 SER HBx 1.0 . 3.63 20 18 A 18 SER H A 16 GLN HA 1.0 . 4.92 21 19 A 15 SER H A 19 ASP H 1.0 . 5.19 22 20 A 15 SER H A 15 SER HB3 1.0 . 3.65 23 21 A 15 SER H A 14 CYS HB2 1.0 . 3.49 24 22 A 15 SER H A 14 CYS HA 1.0 . 3.40 25 23 A 15 SER H A 19 ASP HB2 1.0 . 3.76 26 23 A 19 ASP HB3 A 15 SER H 1.0 . 3.76 27 24 A 15 SER H A 16 GLN HG2 1.0 . 4.37 28 24 A 16 GLN HG3 A 15 SER H 1.0 . 4.37 29 25 A 12 LEU HG A 13 THR H 1.0 . 4.67 30 26 A 13 THR H A 31 PHE HA 1.0 . 5.50 31 27 A 13 THR H A 12 LEU HA 1.0 . 2.85 32 28 A 13 THR H A 12 LEU HBx 1.0 . 4.56 33 29 A 13 THR H A 13 THR HB 1.0 . 3.86 34 30 A 13 THR H A 12 LEU HDx% 1.0 . 3.87 35 31 A 13 THR H A 31 PHE HD% 1.0 . 5.21 36 32 A 13 THR H A 31 PHE HE% 1.0 . 5.50 37 33 A 29 ASN H A 27 GLY HA2 1.0 . 4.46 38 34 A 29 ASN H A 31 PHE H 1.0 . 4.37 39 35 A 29 ASN H A 27 GLY HA3 1.0 . 4.07 40 36 A 28 PRO HB2 A 29 ASN H 1.0 . 3.89 41 37 A 29 ASN H A 28 PRO HDx 1.0 . 4.66 42 38 A 31 PHE H A 29 ASN HA 1.0 . 4.84 43 39 A 31 PHE H A 27 GLY HA3 1.0 . 5.13 44 40 A 31 PHE HB2 A 31 PHE H 1.0 . 3.52 45 41 A 31 PHE HD% A 14 CYS H 1.0 . 5.29 46 42 A 14 CYS H A 32 CYS HB2 1.0 . 5.11 47 42 A 14 CYS H A 32 CYS HB3 1.0 . 5.11 48 43 A 14 CYS HB2 A 14 CYS H 1.0 . 4.09 49 44 A 14 CYS H A 13 THR HG2% 1.0 . 3.79 50 45 A 14 CYS H A 13 THR HA 1.0 . 2.97 51 46 A 31 PHE HA A 14 CYS H 1.0 . 4.06 52 47 A 31 PHE H A 14 CYS H 1.0 . 5.39 53 48 A 13 THR HB A 14 CYS H 1.0 . 3.41 54 49 A 14 CYS H A 32 CYS HA 1.0 . 5.50 55 50 A 13 THR H A 14 CYS H 1.0 . 4.64 56 51 A 15 SER H A 14 CYS H 1.0 . 4.93 57 52 A 24 CYS H A 25 VAL H 1.0 . 4.74 58 53 A 32 CYS HA A 25 VAL H 1.0 . 5.47 59 54 A 25 VAL H A 24 CYS HB2 1.0 . 4.21 60 55 A 25 VAL H A 24 CYS HB3 1.0 . 3.46 61 56 A 25 VAL H A 25 VAL HGy% 1.0 . 4.54 62 57 A 25 VAL H A 24 CYS HA 1.0 . 3.27 63 58 A 25 VAL H A 25 VAL HB 1.0 . 3.99 64 59 A 17 ASP HA A 20 CYS H 1.0 . 5.07 65 60 A 20 CYS H A 19 ASP HB2 1.0 . 3.89 66 60 A 19 ASP HB3 A 20 CYS H 1.0 . 3.89 67 61 A 20 CYS H A 20 CYS HBx 1.0 . 3.71 68 62 A 20 CYS H A 20 CYS HBy 1.0 . 3.71 69 63 A 18 SER H A 20 CYS H 1.0 . 5.15 70 64 A 24 CYS HB2 A 20 CYS H 1.0 . 5.50 71 65 A 26 CYS HA A 33 GLY H 1.0 . 4.04 72 66 A 33 GLY H A 25 VAL HA 1.0 . 5.05 73 67 A 24 CYS HB3 A 33 GLY H 1.0 . 4.02 74 68 A 33 GLY H A 32 CYS HB2 1.0 . 3.63 75 68 A 32 CYS HB3 A 33 GLY H 1.0 . 3.63 76 69 A 32 CYS HA A 33 GLY H 1.0 . 3.05 77 70 A 25 VAL H A 33 GLY H 1.0 . 3.48 78 71 A 33 GLY H A 32 CYS H 1.0 . 4.72 79 72 A 33 GLY H A 27 GLY H 1.0 . 4.51 80 73 A 27 GLY H A 26 CYS HBx 1.0 . 4.43 81 74 A 26 CYS HA A 27 GLY H 1.0 . 3.28 82 75 A 27 GLY H A 28 PRO HDx 1.0 . 5.24 83 76 A 32 CYS HA A 27 GLY H 1.0 . 4.07 84 77 A 31 PHE H A 27 GLY H 1.0 . 4.47 85 78 A 27 GLY H A 26 CYS HBy 1.0 . 4.43 86 79 A 17 ASP HA A 16 GLN H 1.0 . 5.35 87 80 A 15 SER HB3 A 16 GLN H 1.0 . 3.83 88 81 A 19 ASP H A 16 GLN H 1.0 . 4.33 89 82 A 14 CYS HA A 16 GLN H 1.0 . 3.89 90 83 A 15 SER H A 16 GLN H 1.0 . 2.84 91 84 A 16 GLN H A 19 ASP HB2 1.0 . 3.64 92 84 A 19 ASP HB3 A 16 GLN H 1.0 . 3.64 93 85 A 16 GLN H A 16 GLN HG2 1.0 . 3.31 94 85 A 16 GLN HG3 A 16 GLN H 1.0 . 3.31 95 86 A 14 CYS HB2 A 16 GLN H 1.0 . 3.37 96 87 A 24 CYS H A 22 ALA H 1.0 . 4.75 97 88 A 23 GLY H A 24 CYS H 1.0 . 3.45 98 89 A 24 CYS H A 24 CYS HB2 1.0 . 3.30 99 90 A 22 ALA HA A 24 CYS H 1.0 . 3.92 100 91 A 24 CYS H A 24 CYS HB3 1.0 . 3.78 101 92 A 22 ALA HB% A 24 CYS H 1.0 . 4.90 102 93 A 9 ASN H A 9 ASN HD2x 1.0 . 4.76 103 94 A 9 ASN H A 8 ASP H 1.0 . 3.37 104 95 A 9 ASN H A 10 PRO HDy 1.0 . 5.10 105 96 A 9 ASN H A 9 ASN HD2y 1.0 . 4.76 106 97 A 19 ASP H A 16 GLN HG2 1.0 . 3.64 107 97 A 16 GLN HG3 A 19 ASP H 1.0 . 3.64 108 98 A 19 ASP H A 19 ASP HB2 1.0 . 3.06 109 98 A 19 ASP HB3 A 19 ASP H 1.0 . 3.06 110 99 A 18 SER H A 19 ASP H 1.0 . 3.54 111 100 A 19 ASP H A 14 CYS HB2 1.0 . 4.43 112 101 A 19 ASP H A 20 CYS H 1.0 . 3.27 113 102 A 20 CYS H A 21 LEU H 1.0 . 4.67 114 103 A 21 LEU H A 21 LEU HBx 1.0 . 3.74 115 104 A 21 LEU H A 20 CYS HA 1.0 . 3.31 116 105 A 24 CYS HB3 A 21 LEU H 1.0 . 4.31 117 106 A 21 LEU H A 21 LEU HBy 1.0 . 3.74 118 107 A 21 LEU H A 21 LEU HDx% 1.0 . 4.35 119 108 A 21 LEU H A 21 LEU HDy% 1.0 . 4.35 120 109 A 24 CYS HB3 A 2 CYS H 1.0 . 5.50 121 110 A 24 CYS HA A 2 CYS H 1.0 . 5.05 122 111 A 6 ARG H A 6 ARG HD2 1.0 . 5.25 123 111 A 6 ARG H A 6 ARG HD3 1.0 . 5.25 124 112 A 8 ASP H A 7 GLY HAx 1.0 . 3.49 125 113 A 8 ASP H A 9 ASN HA 1.0 . 4.92 126 114 A 8 ASP H A 7 GLY HAy 1.0 . 3.49 127 115 A 6 ARG H A 5 PRO HB2 1.0 . 3.99 128 115 A 6 ARG H A 5 PRO HB3 1.0 . 3.99 129 116 A 23 GLY H A 22 ALA H 1.0 . 4.66 130 117 A 22 ALA H A 21 LEU HBx 1.0 . 4.00 131 118 A 22 ALA HB% A 22 ALA H 1.0 . 3.04 132 119 A 22 ALA H A 21 LEU HBy 1.0 . 4.00 133 120 A 22 ALA H A 21 LEU HA 1.0 . 2.94 134 121 A 22 ALA H A 23 GLY HA3 1.0 . 5.50 135 122 A 24 CYS HB2 A 22 ALA H 1.0 . 5.50 136 123 A 31 PHE HD% A 12 LEU H 1.0 . 5.47 137 124 A 12 LEU H A 12 LEU HDy% 1.0 . 4.09 138 125 A 12 LEU HG A 12 LEU H 1.0 . 3.39 139 126 A 12 LEU H A 32 CYS HB2 1.0 . 4.14 140 126 A 32 CYS HB3 A 12 LEU H 1.0 . 4.14 141 127 A 13 THR H A 12 LEU H 1.0 . 4.63 142 128 A 12 LEU H A 11 PRO HBy 1.0 . 4.55 143 129 A 4 ARG H A 4 ARG HD2 1.0 . 5.09 144 129 A 4 ARG H A 4 ARG HD3 1.0 . 5.09 145 130 A 4 ARG H A 3 PRO HA 1.0 . 2.85 146 131 A 4 ARG H A 4 ARG HG2 1.0 . 4.00 147 131 A 4 ARG H A 4 ARG HG3 1.0 . 4.00 148 132 A 27 GLY H A 26 CYS H 1.0 . 4.67 149 133 A 26 CYS H A 26 CYS HBx 1.0 . 3.52 150 134 A 25 VAL HA A 26 CYS H 1.0 . 3.09 151 135 A 25 VAL HB A 26 CYS H 1.0 . 3.19 152 136 A 17 ASP HA A 26 CYS H 1.0 . 3.51 153 137 A 26 CYS H A 26 CYS HBy 1.0 . 3.52 154 138 A 31 PHE H A 32 CYS H 1.0 . 4.63 155 139 A 32 CYS H A 12 LEU H 1.0 . 4.34 156 140 A 12 LEU HG A 32 CYS H 1.0 . 4.41 157 141 A 31 PHE HA A 32 CYS H 1.0 . 2.95 158 142 A 32 CYS H A 32 CYS HB2 1.0 . 2.88 159 142 A 32 CYS HB3 A 32 CYS H 1.0 . 2.88 160 143 A 13 THR HA A 32 CYS H 1.0 . 4.01 161 144 A 14 CYS H A 32 CYS H 1.0 . 4.60 162 145 A 31 PHE HB2 A 32 CYS H 1.0 . 4.34 163 146 A 12 LEU HA A 32 CYS H 1.0 . 5.25 164 147 A 31 PHE HD% A 32 CYS H 1.0 . 4.75 165 148 A 26 CYS HA A 32 CYS H 1.0 . 5.37 166 149 A 12 LEU HDx% A 32 CYS H 1.0 . 5.04 167 150 A 32 CYS H A 12 LEU HDy% 1.0 . 5.50 168 151 A 17 ASP H A 16 GLN H 1.0 . 4.83 169 152 A 17 ASP H A 17 ASP HBy 1.0 . 3.64 170 153 A 17 ASP H A 17 ASP HBx 1.0 . 3.64 171 154 A 17 ASP H A 16 GLN HA 1.0 . 3.17 172 155 A 17 ASP H A 16 GLN HG2 1.0 . 4.02 173 155 A 17 ASP H A 16 GLN HG3 1.0 . 4.02 174 156 A 17 ASP H A 19 ASP H 1.0 . 4.94 175 157 A 25 VAL HA A 25 VAL HGy% 1.0 . 3.72 176 158 A 25 VAL H A 25 VAL HGx% 1.0 . 4.54 177 159 A 13 THR H A 13 THR HG2% 1.0 . 3.76 178 160 A 13 THR HG2% A 13 THR HA 1.0 . 3.76 179 161 A 31 PHE HE% A 13 THR HG2% 1.0 . 4.57 180 162 A 13 THR H A 12 LEU HDy% 1.0 . 4.99 181 163 A 12 LEU HDy% A 11 PRO HA 1.0 . 4.52 182 164 A 4 ARG HA A 4 ARG HG2 1.0 . 4.08 183 164 A 4 ARG HG3 A 4 ARG HA 1.0 . 4.08 184 165 A 21 LEU H A 21 LEU HG 1.0 . 3.94 185 166 A 7 GLY H A 6 ARG HGy 1.0 . 5.03 186 167 A 7 GLY H A 6 ARG HGx 1.0 . 5.03 187 168 A 4 ARG HG3 A 5 PRO HDy 1.0 . 5.10 188 168 A 5 PRO HDy A 4 ARG HG2 1.0 . 5.10 189 169 A 4 ARG HG2 A 5 PRO HDx 1.0 . 5.10 190 169 A 4 ARG HG3 A 5 PRO HDx 1.0 . 5.10 191 170 A 3 PRO HA A 4 ARG HG2 1.0 . 4.84 192 170 A 3 PRO HA A 4 ARG HG3 1.0 . 4.84 193 171 A 2 CYS HBx A 3 PRO HDx 1.0 . 5.14 194 172 A 2 CYS HBy A 3 PRO HDx 1.0 . 5.14 195 173 A 2 CYS HA A 3 PRO HDx 1.0 . 3.49 196 174 A 21 LEU HG A 3 PRO HDx 1.0 . 5.32 197 175 A 2 CYS HA A 3 PRO HDy 1.0 . 3.49 198 176 A 3 PRO HDy A 2 CYS HBx 1.0 . 5.14 199 177 A 21 LEU HG A 3 PRO HDy 1.0 . 5.32 200 178 A 5 PRO HDy A 4 ARG HBx 1.0 . 5.20 201 179 A 4 ARG HBx A 5 PRO HDx 1.0 . 5.20 202 180 A 4 ARG HBy A 5 PRO HDy 1.0 . 5.20 203 181 A 4 ARG HBy A 5 PRO HDx 1.0 . 5.20 204 182 A 4 ARG HA A 5 PRO HDy 1.0 . 3.51 205 183 A 4 ARG HA A 5 PRO HDx 1.0 . 3.51 206 184 A 10 PRO HBx A 11 PRO HDx 1.0 . 4.70 207 185 A 11 PRO HDy A 10 PRO HBx 1.0 . 4.70 208 186 A 9 ASN H A 10 PRO HDx 1.0 . 5.10 209 187 A 9 ASN HA A 10 PRO HDy 1.0 . 3.38 210 188 A 9 ASN HBy A 10 PRO HDx 1.0 . 4.84 211 189 A 9 ASN HBx A 10 PRO HDx 1.0 . 4.84 212 190 A 9 ASN HBy A 10 PRO HDy 1.0 . 4.84 213 191 A 10 PRO HDy A 9 ASN HBx 1.0 . 4.84 214 192 A 9 ASN HA A 10 PRO HDx 1.0 . 3.38 215 193 A 12 LEU H A 11 PRO HA 1.0 . 2.80 216 194 A 31 PHE HB3 A 11 PRO HBx 1.0 . 5.02 217 195 A 12 LEU H A 11 PRO HBx 1.0 . 4.55 218 196 A 31 PHE HB3 A 11 PRO HBy 1.0 . 5.02 219 197 A 10 PRO HA A 11 PRO HDx 1.0 . 3.32 220 198 A 10 PRO HBy A 11 PRO HDx 1.0 . 4.70 221 199 A 10 PRO HA A 11 PRO HDy 1.0 . 3.32 222 200 A 10 PRO HBy A 11 PRO HDy 1.0 . 4.70 223 201 A 29 ASN H A 28 PRO HDy 1.0 . 4.66 224 202 A 27 GLY H A 28 PRO HDy 1.0 . 5.24 225 203 A 27 GLY HA3 A 28 PRO HDx 1.0 . 3.35 226 204 A 27 GLY HA2 A 28 PRO HDx 1.0 . 3.68 227 205 A 27 GLY HA3 A 28 PRO HDy 1.0 . 3.35 228 206 A 31 PHE H A 29 ASN HBx 1.0 . 4.43 229 207 A 31 PHE H A 29 ASN HBy 1.0 . 4.43 230 208 A 17 ASP HA A 26 CYS HBy 1.0 . 4.01 231 209 A 18 SER H A 26 CYS HBy 1.0 . 5.50 232 210 A 18 SER H A 26 CYS HBx 1.0 . 5.50 233 211 A 21 LEU H A 20 CYS HBx 1.0 . 3.76 234 212 A 24 CYS HB2 A 20 CYS HBx 1.0 . 3.93 235 213 A 24 CYS HB2 A 20 CYS HBy 1.0 . 3.93 236 214 A 21 LEU H A 20 CYS HBy 1.0 . 3.76 237 215 A 3 PRO HDy A 2 CYS HBy 1.0 . 5.14 238 216 A 31 PHE H A 31 PHE HB3 1.0 . 3.86 239 217 A 31 PHE HB2 A 11 PRO HG2 1.0 . 5.47 240 217 A 31 PHE HB2 A 11 PRO HG3 1.0 . 5.47 241 218 A 12 LEU HG A 32 CYS HB2 1.0 . 4.27 242 218 A 12 LEU HG A 32 CYS HB3 1.0 . 4.27 243 219 A 12 LEU HDx% A 32 CYS HB2 1.0 . 4.85 244 219 A 12 LEU HDx% A 32 CYS HB3 1.0 . 4.85 245 220 A 12 LEU HDy% A 32 CYS HB2 1.0 . 5.26 246 220 A 32 CYS HB3 A 12 LEU HDy% 1.0 . 5.26 247 221 A 4 ARG HA A 4 ARG HD2 1.0 . 4.62 248 221 A 4 ARG HD3 A 4 ARG HA 1.0 . 4.62 249 222 A 6 ARG HA A 6 ARG HD2 1.0 . 4.89 250 222 A 6 ARG HD3 A 6 ARG HA 1.0 . 4.89 251 223 A 32 CYS HB3 A 12 LEU HBx 1.0 . 4.51 252 223 A 12 LEU HBx A 32 CYS HB2 1.0 . 4.51 253 224 A 32 CYS HB3 A 12 LEU HBy 1.0 . 4.51 254 224 A 12 LEU HBy A 32 CYS HB2 1.0 . 4.51 255 225 A 13 THR H A 12 LEU HBy 1.0 . 4.56 256 226 A 2 CYS HA A 1 GLY HAx 1.0 . 5.09 257 227 A 2 CYS HA A 1 GLY HAy 1.0 . 5.09 258 228 A 27 GLY HA2 A 28 PRO HDy 1.0 . 3.68 259 229 A 24 CYS HB2 A 33 GLY H 1.0 . 5.50 260 230 A 24 CYS HB2 A 21 LEU H 1.0 . 3.58 261 231 A 19 ASP H A 14 CYS HB3 1.0 . 5.50 262 232 A 14 CYS H A 14 CYS HB3 1.0 . 4.08 263 233 A 15 SER H A 14 CYS HB3 1.0 . 4.39 264 234 A 22 ALA HA A 23 GLY HA3 1.0 . 4.65 265 235 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.37 266 236 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.69 267 237 A 6 ARG HA A 6 ARG HGx 1.0 . 3.97 268 238 A 6 ARG HA A 6 ARG HGy 1.0 . 3.97 269 239 A 30 GLY H A 31 PHE HA 1.0 . 5.12 270 240 A 31 PHE HA A 13 THR HA 1.0 . 3.61 271 241 A 31 PHE HA A 31 PHE HD% 1.0 . 4.56 272 242 A 17 ASP HA A 16 GLN HG2 1.0 . 4.98 273 242 A 16 GLN HG3 A 17 ASP HA 1.0 . 4.98 274 243 A 17 ASP HA A 26 CYS HBx 1.0 . 4.01 275 244 A 17 ASP HA A 25 VAL HA 1.0 . 4.00 276 245 A 25 VAL HA A 25 VAL HGx% 1.0 . 3.72 277 246 A 20 CYS H A 18 SER HA 1.0 . 5.03 278 247 A 15 SER HB2 A 16 GLN HG2 1.0 . 5.26 279 247 A 16 GLN HG3 A 15 SER HB2 1.0 . 5.26 280 248 A 15 SER HB3 A 16 GLN HG2 1.0 . 4.98 281 248 A 16 GLN HG3 A 15 SER HB3 1.0 . 4.98 282 249 A 15 SER HB3 A 14 CYS H 1.0 . 5.50 283 250 A 14 CYS H A 15 SER HB2 1.0 . 5.50 284 251 A 2 CYS HA A 3 PRO HDx 1.0 . 3.04 285 251 A 2 CYS HA A 3 PRO HDy 1.0 . 3.04 286 252 A 2 CYS HBy A 3 PRO HDx 1.0 . 3.87 287 252 A 2 CYS HBx A 3 PRO HDx 1.0 . 3.87 288 252 A 3 PRO HDy A 2 CYS HBx 1.0 . 3.87 289 252 A 3 PRO HDy A 2 CYS HBy 1.0 . 3.87 290 253 A 4 ARG H A 3 PRO HBy 1.0 . 3.86 291 253 A 4 ARG H A 3 PRO HBx 1.0 . 3.86 292 254 A 3 PRO HBy A 21 LEU HDy% 1.0 . 4.52 293 254 A 3 PRO HBx A 21 LEU HDy% 1.0 . 4.52 294 254 A 21 LEU HDx% A 3 PRO HBy 1.0 . 4.52 295 254 A 3 PRO HBx A 21 LEU HDx% 1.0 . 4.52 296 255 A 4 ARG H A 3 PRO HGy 1.0 . 4.82 297 255 A 4 ARG H A 3 PRO HGx 1.0 . 4.82 298 256 A 3 PRO HGx A 21 LEU HDy% 1.0 . 4.19 299 256 A 3 PRO HGy A 21 LEU HDy% 1.0 . 4.19 300 256 A 21 LEU HDx% A 3 PRO HGy 1.0 . 4.19 301 256 A 21 LEU HDx% A 3 PRO HGx 1.0 . 4.19 302 257 A 4 ARG H A 3 PRO HDx 1.0 . 4.96 303 257 A 4 ARG H A 3 PRO HDy 1.0 . 4.96 304 258 A 21 LEU HG A 3 PRO HDx 1.0 . 4.64 305 258 A 21 LEU HG A 3 PRO HDy 1.0 . 4.64 306 259 A 3 PRO HDy A 21 LEU HDy% 1.0 . 4.86 307 259 A 3 PRO HDx A 21 LEU HDy% 1.0 . 4.86 308 259 A 21 LEU HDx% A 3 PRO HDx 1.0 . 4.86 309 259 A 3 PRO HDy A 21 LEU HDx% 1.0 . 4.86 310 260 A 4 ARG H A 4 ARG HBx 1.0 . 3.55 311 260 A 4 ARG H A 4 ARG HBy 1.0 . 3.55 312 261 A 4 ARG HA A 5 PRO HDx 1.0 . 3.03 313 261 A 4 ARG HA A 5 PRO HDy 1.0 . 3.03 314 262 A 4 ARG HBx A 5 PRO HDx 1.0 . 3.96 315 262 A 5 PRO HDy A 4 ARG HBx 1.0 . 3.96 316 262 A 4 ARG HBy A 5 PRO HDy 1.0 . 3.96 317 262 A 4 ARG HBy A 5 PRO HDx 1.0 . 3.96 318 263 A 4 ARG HG2 A 5 PRO HDx 1.0 . 4.39 319 263 A 4 ARG HG3 A 5 PRO HDx 1.0 . 4.39 320 263 A 5 PRO HDy A 4 ARG HG2 1.0 . 4.39 321 263 A 4 ARG HG3 A 5 PRO HDy 1.0 . 4.39 322 264 A 6 ARG H A 6 ARG HBy 1.0 . 3.13 323 264 A 6 ARG H A 6 ARG HBx 1.0 . 3.13 324 265 A 6 ARG H A 9 ASN HBx 1.0 . 5.15 325 265 A 6 ARG H A 9 ASN HBy 1.0 . 5.15 326 266 A 9 ASN HD2y A 6 ARG H 1.0 . 4.91 327 266 A 9 ASN HD2x A 6 ARG H 1.0 . 4.91 328 267 A 6 ARG HA A 6 ARG HGx 1.0 . 3.47 329 267 A 6 ARG HA A 6 ARG HGy 1.0 . 3.47 330 268 A 7 GLY H A 6 ARG HBy 1.0 . 3.86 331 268 A 7 GLY H A 6 ARG HBx 1.0 . 3.86 332 269 A 9 ASN H A 6 ARG HBy 1.0 . 4.72 333 269 A 9 ASN H A 6 ARG HBx 1.0 . 4.72 334 270 A 7 GLY H A 6 ARG HGx 1.0 . 4.24 335 270 A 7 GLY H A 6 ARG HGy 1.0 . 4.24 336 271 A 8 ASP H A 7 GLY HAx 1.0 . 2.97 337 271 A 8 ASP H A 7 GLY HAy 1.0 . 2.97 338 272 A 8 ASP H A 8 ASP HBy 1.0 . 3.37 339 272 A 8 ASP H A 8 ASP HBx 1.0 . 3.37 340 273 A 9 ASN H A 9 ASN HBx 1.0 . 2.95 341 273 A 9 ASN H A 9 ASN HBy 1.0 . 2.95 342 274 A 9 ASN H A 9 ASN HD2y 1.0 . 3.93 343 274 A 9 ASN H A 9 ASN HD2x 1.0 . 3.93 344 275 A 9 ASN H A 10 PRO HDx 1.0 . 4.42 345 275 A 9 ASN H A 10 PRO HDy 1.0 . 4.42 346 276 A 9 ASN HD2x A 9 ASN HBx 1.0 . 3.21 347 276 A 9 ASN HD2y A 9 ASN HBx 1.0 . 3.21 348 276 A 9 ASN HD2y A 9 ASN HBy 1.0 . 3.21 349 276 A 9 ASN HD2x A 9 ASN HBy 1.0 . 3.21 350 277 A 9 ASN HBy A 10 PRO HDx 1.0 . 3.63 351 277 A 9 ASN HBx A 10 PRO HDx 1.0 . 3.63 352 277 A 10 PRO HDy A 9 ASN HBx 1.0 . 3.63 353 277 A 9 ASN HBy A 10 PRO HDy 1.0 . 3.63 354 278 A 10 PRO HBy A 11 PRO HDx 1.0 . 3.33 355 278 A 10 PRO HBx A 11 PRO HDx 1.0 . 3.33 356 278 A 11 PRO HDy A 10 PRO HBx 1.0 . 3.33 357 278 A 10 PRO HBy A 11 PRO HDy 1.0 . 3.33 358 279 A 12 LEU H A 11 PRO HBx 1.0 . 3.80 359 279 A 12 LEU H A 11 PRO HBy 1.0 . 3.80 360 280 A 31 PHE HB3 A 11 PRO HBx 1.0 . 4.29 361 280 A 31 PHE HB3 A 11 PRO HBy 1.0 . 4.29 362 281 A 31 PHE HD% A 11 PRO HBx 1.0 . 5.08 363 281 A 31 PHE HD% A 11 PRO HBy 1.0 . 5.08 364 282 A 32 CYS H A 11 PRO HBx 1.0 . 4.98 365 282 A 32 CYS H A 11 PRO HBy 1.0 . 4.98 366 283 A 11 PRO HBy A 32 CYS HB2 1.0 . 5.18 367 283 A 11 PRO HBx A 32 CYS HB2 1.0 . 5.18 368 283 A 32 CYS HB3 A 11 PRO HBx 1.0 . 5.18 369 283 A 32 CYS HB3 A 11 PRO HBy 1.0 . 5.18 370 284 A 12 LEU H A 12 LEU HBy 1.0 . 3.05 371 284 A 12 LEU H A 12 LEU HBx 1.0 . 3.05 372 285 A 12 LEU HDx% A 12 LEU HBy 1.0 . 3.35 373 285 A 12 LEU HDx% A 12 LEU HBx 1.0 . 3.35 374 286 A 13 THR H A 12 LEU HBy 1.0 . 3.83 375 286 A 13 THR H A 12 LEU HBx 1.0 . 3.83 376 287 A 14 CYS H A 30 GLY HAy 1.0 . 4.27 377 287 A 14 CYS H A 30 GLY HAx 1.0 . 4.27 378 288 A 14 CYS HB2 A 26 CYS HBx 1.0 . 4.69 379 288 A 14 CYS HB2 A 26 CYS HBy 1.0 . 4.69 380 289 A 14 CYS HB3 A 26 CYS HBx 1.0 . 5.34 381 289 A 14 CYS HB3 A 26 CYS HBy 1.0 . 5.34 382 290 A 15 SER H A 16 GLN HBy 1.0 . 5.34 383 290 A 15 SER H A 16 GLN HBx 1.0 . 5.34 384 291 A 15 SER H A 26 CYS HBx 1.0 . 5.34 385 291 A 15 SER H A 26 CYS HBy 1.0 . 5.34 386 292 A 16 GLN H A 16 GLN HBy 1.0 . 3.66 387 292 A 16 GLN H A 16 GLN HBx 1.0 . 3.66 388 293 A 16 GLN H A 26 CYS HBx 1.0 . 4.67 389 293 A 16 GLN H A 26 CYS HBy 1.0 . 4.67 390 294 A 17 ASP H A 16 GLN HBy 1.0 . 3.38 391 294 A 17 ASP H A 16 GLN HBx 1.0 . 3.38 392 295 A 18 SER H A 16 GLN HBy 1.0 . 3.88 393 295 A 18 SER H A 16 GLN HBx 1.0 . 3.88 394 296 A 19 ASP H A 16 GLN HBy 1.0 . 4.51 395 296 A 19 ASP H A 16 GLN HBx 1.0 . 4.51 396 297 A 17 ASP H A 17 ASP HBx 1.0 . 3.09 397 297 A 17 ASP H A 17 ASP HBy 1.0 . 3.09 398 298 A 17 ASP H A 18 SER HBy 1.0 . 5.18 399 298 A 17 ASP H A 18 SER HBx 1.0 . 5.18 400 299 A 17 ASP H A 26 CYS HBx 1.0 . 4.52 401 299 A 17 ASP H A 26 CYS HBy 1.0 . 4.52 402 300 A 17 ASP HA A 25 VAL HGy% 1.0 . 5.09 403 300 A 17 ASP HA A 25 VAL HGx% 1.0 . 5.09 404 301 A 17 ASP HA A 26 CYS HBx 1.0 . 3.47 405 301 A 17 ASP HA A 26 CYS HBy 1.0 . 3.47 406 302 A 18 SER H A 17 ASP HBx 1.0 . 4.05 407 302 A 18 SER H A 17 ASP HBy 1.0 . 4.05 408 303 A 18 SER HA A 17 ASP HBx 1.0 . 5.34 409 303 A 18 SER HA A 17 ASP HBy 1.0 . 5.34 410 304 A 19 ASP H A 17 ASP HBx 1.0 . 5.34 411 304 A 19 ASP H A 17 ASP HBy 1.0 . 5.34 412 305 A 25 VAL HA A 17 ASP HBx 1.0 . 4.06 413 305 A 25 VAL HA A 17 ASP HBy 1.0 . 4.06 414 306 A 17 ASP HBx A 25 VAL HGy% 1.0 . 4.51 415 306 A 17 ASP HBy A 25 VAL HGy% 1.0 . 4.51 416 306 A 25 VAL HGx% A 17 ASP HBx 1.0 . 4.51 417 306 A 17 ASP HBy A 25 VAL HGx% 1.0 . 4.51 418 307 A 18 SER H A 18 SER HBy 1.0 . 3.08 419 307 A 18 SER H A 18 SER HBx 1.0 . 3.08 420 308 A 18 SER HA A 20 CYS HBx 1.0 . 5.34 421 308 A 18 SER HA A 20 CYS HBy 1.0 . 5.34 422 309 A 19 ASP H A 18 SER HBy 1.0 . 4.45 423 309 A 19 ASP H A 18 SER HBx 1.0 . 4.45 424 310 A 20 CYS H A 18 SER HBy 1.0 . 5.34 425 310 A 20 CYS H A 18 SER HBx 1.0 . 5.34 426 311 A 19 ASP H A 20 CYS HBx 1.0 . 5.34 427 311 A 19 ASP H A 20 CYS HBy 1.0 . 5.34 428 312 A 20 CYS H A 20 CYS HBx 1.0 . 3.11 429 312 A 20 CYS H A 20 CYS HBy 1.0 . 3.11 430 313 A 24 CYS H A 20 CYS HBx 1.0 . 4.68 431 313 A 24 CYS H A 20 CYS HBy 1.0 . 4.68 432 314 A 24 CYS HB2 A 20 CYS HBx 1.0 . 3.37 433 314 A 24 CYS HB2 A 20 CYS HBy 1.0 . 3.37 434 315 A 21 LEU H A 21 LEU HBy 1.0 . 2.96 435 315 A 21 LEU H A 21 LEU HBx 1.0 . 2.96 436 316 A 21 LEU H A 21 LEU HDy% 1.0 . 3.66 437 316 A 21 LEU H A 21 LEU HDx% 1.0 . 3.66 438 317 A 21 LEU HA A 21 LEU HDy% 1.0 . 3.19 439 317 A 21 LEU HA A 21 LEU HDx% 1.0 . 3.19 440 318 A 22 ALA H A 21 LEU HBy 1.0 . 3.28 441 318 A 22 ALA H A 21 LEU HBx 1.0 . 3.28 442 319 A 22 ALA H A 21 LEU HDy% 1.0 . 3.73 443 319 A 22 ALA H A 21 LEU HDx% 1.0 . 3.73 444 320 A 24 CYS HA A 25 VAL HGy% 1.0 . 4.96 445 320 A 24 CYS HA A 25 VAL HGx% 1.0 . 4.96 446 321 A 25 VAL H A 25 VAL HGy% 1.0 . 3.19 447 321 A 25 VAL H A 25 VAL HGx% 1.0 . 3.19 448 322 A 25 VAL H A 33 GLY HAy 1.0 . 4.76 449 322 A 25 VAL H A 33 GLY HAx 1.0 . 4.76 450 323 A 25 VAL HA A 25 VAL HGy% 1.0 . 3.11 451 323 A 25 VAL HA A 25 VAL HGx% 1.0 . 3.11 452 324 A 26 CYS H A 25 VAL HGy% 1.0 . 3.42 453 324 A 26 CYS H A 25 VAL HGx% 1.0 . 3.42 454 325 A 26 CYS HA A 25 VAL HGy% 1.0 . 5.44 455 325 A 26 CYS HA A 25 VAL HGx% 1.0 . 5.44 456 326 A 27 GLY H A 25 VAL HGy% 1.0 . 4.74 457 326 A 27 GLY H A 25 VAL HGx% 1.0 . 4.74 458 327 A 27 GLY HA3 A 25 VAL HGy% 1.0 . 4.95 459 327 A 27 GLY HA3 A 25 VAL HGx% 1.0 . 4.95 460 328 A 33 GLY H A 25 VAL HGy% 1.0 . 4.30 461 328 A 33 GLY H A 25 VAL HGx% 1.0 . 4.30 462 329 A 26 CYS H A 26 CYS HBx 1.0 . 3.06 463 329 A 26 CYS H A 26 CYS HBy 1.0 . 3.06 464 330 A 33 GLY H A 26 CYS HBx 1.0 . 5.34 465 330 A 33 GLY H A 26 CYS HBy 1.0 . 5.34 466 331 A 27 GLY H A 28 PRO HDx 1.0 . 4.36 467 331 A 27 GLY H A 28 PRO HDy 1.0 . 4.36 468 332 A 27 GLY HA2 A 28 PRO HGy 1.0 . 4.64 469 332 A 27 GLY HA2 A 28 PRO HGx 1.0 . 4.64 470 333 A 27 GLY HA2 A 28 PRO HDx 1.0 . 3.16 471 333 A 27 GLY HA2 A 28 PRO HDy 1.0 . 3.16 472 334 A 27 GLY HA3 A 28 PRO HGy 1.0 . 4.42 473 334 A 27 GLY HA3 A 28 PRO HGx 1.0 . 4.42 474 335 A 29 ASN H A 28 PRO HDx 1.0 . 3.78 475 335 A 29 ASN H A 28 PRO HDy 1.0 . 3.78 476 336 A 29 ASN H A 29 ASN HBx 1.0 . 3.45 477 336 A 29 ASN H A 29 ASN HBy 1.0 . 3.45 478 337 A 29 ASN HA A 29 ASN HD2y 1.0 . 4.57 479 337 A 29 ASN HA A 29 ASN HD2x 1.0 . 4.57 480 338 A 29 ASN HD2y A 29 ASN HBy 1.0 . 3.11 481 338 A 29 ASN HD2y A 29 ASN HBx 1.0 . 3.11 482 338 A 29 ASN HD2x A 29 ASN HBx 1.0 . 3.11 483 338 A 29 ASN HD2x A 29 ASN HBy 1.0 . 3.11 484 339 A 30 GLY H A 29 ASN HBx 1.0 . 4.24 485 339 A 30 GLY H A 29 ASN HBy 1.0 . 4.24 486 340 A 31 PHE H A 29 ASN HBx 1.0 . 3.89 487 340 A 31 PHE H A 29 ASN HBy 1.0 . 3.89 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _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 2 CYS SG A 24 CYS SG 1.0 . 2.0 2 2 A 2 CYS SG A 24 CYS CB 1.0 . 3.0 3 3 A 24 CYS SG A 2 CYS CB 1.0 . 3.0 4 4 A 14 CYS SG A 26 CYS SG 1.0 . 2.0 5 5 A 14 CYS SG A 26 CYS CB 1.0 . 3.0 6 6 A 26 CYS SG A 14 CYS CB 1.0 . 3.0 7 7 A 20 CYS SG A 32 CYS SG 1.0 . 2.0 8 8 A 20 CYS SG A 32 CYS CB 1.0 . 3.0 9 9 A 32 CYS SG A 20 CYS CB 1.0 . 3.0 10 10 A 2 CYS SG A 24 CYS SG 1.0 . 2.1 11 11 A 2 CYS SG A 24 CYS CB 1.0 . 3.1 12 12 A 24 CYS SG A 2 CYS CB 1.0 . 3.1 13 13 A 14 CYS SG A 26 CYS SG 1.0 . 2.1 14 14 A 14 CYS SG A 26 CYS CB 1.0 . 3.1 15 15 A 26 CYS SG A 14 CYS CB 1.0 . 3.1 16 16 A 20 CYS SG A 32 CYS SG 1.0 . 2.1 17 17 A 20 CYS SG A 32 CYS CB 1.0 . 3.1 18 18 A 32 CYS SG A 20 CYS CB 1.0 . 3.1 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 hbond _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 32 CYS H A 12 LEU O 1.0 . 1.8 2 2 A 12 LEU O A 32 CYS N 1.0 . 2.7 3 3 A 15 SER H A 19 ASP OD2 1.0 . 1.8 4 4 A 19 ASP OD2 A 15 SER N 1.0 . 2.7 5 5 A 33 GLY H A 25 VAL O 1.0 . 1.8 6 6 A 25 VAL O A 33 GLY N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 32 CYS H A 12 LEU O 1.0 . 2.0 2 2 A 12 LEU O A 32 CYS N 1.0 . 3.0 3 3 A 15 SER H A 19 ASP OD2 1.0 . 2.0 4 4 A 19 ASP OD2 A 15 SER N 1.0 . 3.0 5 5 A 33 GLY H A 25 VAL O 1.0 . 2.0 6 6 A 25 VAL O A 33 GLY N 1.0 . 3.0 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 7 GLY C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -124.0 -61.3 PHI 2 2 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 ASN N 1.0 -46.2 16.5 PSI 3 3 A 8 ASP C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -163.6 -46.7 PHI 4 4 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 PRO N 1.0 51.1 184.8 PSI 5 5 A 10 PRO N A 10 PRO CA A 10 PRO C A 11 PRO N 1.0 123.3 173.1 PSI 6 6 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 LEU N 1.0 129.4 169.4 PSI 7 7 A 11 PRO C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -146.0 -55.0 PHI 8 8 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 THR N 1.0 95.0 159.7 PSI 9 9 A 12 LEU C A 13 THR N A 13 THR CA A 13 THR C 1.0 -137.4 -66.8 PHI 10 10 A 13 THR N A 13 THR CA A 13 THR C A 14 CYS N 1.0 127.2 178.0 PSI 11 11 A 13 THR C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -169.7 -109.4 PHI 12 12 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 SER N 1.0 135.8 181.2 PSI 13 13 A 15 SER C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -192.4 -56.6 PHI 14 14 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 ASP N 1.0 142.5 184.8 PSI 15 15 A 16 GLN C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -77.0 -37.0 PHI 16 16 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 SER N 1.0 -65.5 -25.5 PSI 17 17 A 17 ASP C A 18 SER N A 18 SER CA A 18 SER C 1.0 -87.8 -47.8 PHI 18 18 A 18 SER N A 18 SER CA A 18 SER C A 19 ASP N 1.0 -59.9 16.2 PSI 19 19 A 18 SER C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -119.3 -55.2 PHI 20 20 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 CYS N 1.0 -70.5 32.3 PSI 21 21 A 21 LEU C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -83.8 -39.9 PHI 22 22 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 GLY N 1.0 114.6 154.6 PSI 23 23 A 22 ALA C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 64.1 110.2 PHI 24 24 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 CYS N 1.0 -38.2 23.2 PSI 25 25 A 23 GLY C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -170.8 -47.0 PHI 26 26 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 VAL N 1.0 133.1 173.1 PSI 27 27 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 ASN N 1.0 -57.3 -0.3 PSI 28 28 A 28 PRO C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -106.4 -66.4 PHI 29 29 A 29 ASN N A 29 ASN CA A 29 ASN C A 30 GLY N 1.0 -22.1 25.1 PSI 30 30 A 29 ASN C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 50.3 102.4 PHI 31 31 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 PHE N 1.0 -12.8 58.5 PSI 32 32 A 30 GLY C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -160.4 -67.7 PHI 33 33 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 CYS N 1.0 121.7 168.5 PSI 34 34 A 31 PHE C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -145.4 -39.4 PHI 35 35 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 GLY N 1.0 80.3 175.9 PSI stop_ save_