data_nef_c34381_6r2x 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 6R2X stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 PHE start . . 2 A 2 GLU middle . . 3 A 3 THR middle . . 4 A 4 LEU middle . . 5 A 5 ARG middle . . 6 A 6 GLY middle . false 7 A 7 ASP middle . . 8 A 8 GLU middle . . 9 A 9 ARG middle . . 10 A 10 ILE middle . . 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 ARG middle . . 16 A 16 HIS middle . . 17 A 17 GLN middle . . 18 A 18 ASN middle . . 19 A 19 LEU middle . . 20 A 20 LEU middle . . 21 A 21 LYS middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 GLN middle . . 25 A 25 ASP end . . 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 PHE HA H 1 4.278 0.005 A 1 PHE HBy H 1 3.238 0.023 A 1 PHE HBx H 1 3.167 0.034 A 1 PHE HDx H 1 7.262 0.014 A 1 PHE HDy H 1 7.262 0.014 A 1 PHE HEx H 1 7.379 0.004 A 1 PHE HEy H 1 7.379 0.004 A 1 PHE HZ H 1 7.383 0.000 A 1 PHE C C 13 172.201 0.000 A 1 PHE CA C 13 57.191 0.051 A 1 PHE CB C 13 39.880 0.065 A 1 PHE CDx C 13 132.096 0.000 A 1 PHE CDy C 13 132.096 0.000 A 1 PHE CEx C 13 130.751 0.044 A 1 PHE CEy C 13 130.751 0.044 A 1 PHE CG C 13 136.367 0.100 A 1 PHE CZ C 13 132.104 0.061 A 2 GLU H H 1 8.755 0.005 A 2 GLU HA H 1 4.429 0.015 A 2 GLU HBx H 1 1.893 0.003 A 2 GLU HBy H 1 2.029 0.003 A 2 GLU HGy H 1 2.244 0.015 A 2 GLU HGx H 1 2.236 0.010 A 2 GLU C C 13 175.759 0.000 A 2 GLU CA C 13 56.041 0.051 A 2 GLU CB C 13 30.953 0.082 A 2 GLU CD C 13 184.150 0.000 A 2 GLU CG C 13 36.355 0.075 A 2 GLU N N 15 124.349 0.008 A 3 THR H H 1 8.511 0.003 A 3 THR HA H 1 4.284 0.003 A 3 THR HB H 1 4.146 0.007 A 3 THR HG2% H 1 1.230 0.004 A 3 THR C C 13 174.431 0.000 A 3 THR CA C 13 62.217 0.051 A 3 THR CB C 13 69.982 0.052 A 3 THR CG2 C 13 21.835 0.087 A 3 THR N N 15 118.365 0.031 A 4 LEU H H 1 8.579 0.002 A 4 LEU HA H 1 4.382 0.029 A 4 LEU HBx H 1 1.552 0.028 A 4 LEU HBy H 1 1.657 0.005 A 4 LEU HDx% H 1 0.881 0.011 A 4 LEU HDy% H 1 0.893 0.019 A 4 LEU HG H 1 1.655 0.004 A 4 LEU C C 13 177.347 0.000 A 4 LEU CA C 13 55.187 0.022 A 4 LEU CB C 13 42.219 0.004 A 4 LEU CDx C 13 23.441 0.000 A 4 LEU CDy C 13 24.928 0.000 A 4 LEU CG C 13 27.122 0.000 A 4 LEU N N 15 126.536 0.021 A 5 ARG H H 1 8.798 0.002 A 5 ARG HA H 1 4.358 0.007 A 5 ARG HBx H 1 1.821 0.032 A 5 ARG HBy H 1 1.877 0.016 A 5 ARG HDx H 1 3.207 0.003 A 5 ARG HDy H 1 3.207 0.003 A 5 ARG HE H 1 7.421 0.001 A 5 ARG HGx H 1 1.642 0.015 A 5 ARG HGy H 1 1.657 0.006 A 5 ARG C C 13 177.109 0.000 A 5 ARG CA C 13 56.340 0.056 A 5 ARG CB C 13 31.177 0.106 A 5 ARG CD C 13 43.328 0.000 A 5 ARG CG C 13 27.075 0.005 A 5 ARG CZ C 13 159.567 0.000 A 5 ARG N N 15 123.417 0.006 A 5 ARG NE N 15 85.159 0.013 A 6 GLY H H 1 8.663 0.002 A 6 GLY HAx H 1 3.956 0.010 A 6 GLY HAy H 1 3.958 0.008 A 6 GLY C C 13 174.136 0.000 A 6 GLY CA C 13 45.784 0.128 A 6 GLY N N 15 110.747 0.013 A 7 ASP H H 1 8.389 0.007 A 7 ASP HA H 1 4.591 0.006 A 7 ASP HBx H 1 2.713 0.013 A 7 ASP HBy H 1 2.713 0.013 A 7 ASP C C 13 176.939 0.000 A 7 ASP CA C 13 54.495 0.024 A 7 ASP CB C 13 41.108 0.045 A 7 ASP CG C 13 180.078 0.000 A 7 ASP N N 15 121.557 0.019 A 8 GLU H H 1 8.663 0.002 A 8 GLU HA H 1 4.162 0.022 A 8 GLU HBy H 1 2.066 0.009 A 8 GLU HBx H 1 2.063 0.006 A 8 GLU HGx H 1 2.334 0.010 A 8 GLU HGy H 1 2.335 0.009 A 8 GLU C C 13 177.628 0.000 A 8 GLU CA C 13 58.239 0.057 A 8 GLU CB C 13 29.805 0.000 A 8 GLU CD C 13 183.986 0.000 A 8 GLU CG C 13 36.635 0.065 A 8 GLU N N 15 122.974 0.050 A 9 ARG H H 1 8.349 0.003 A 9 ARG HA H 1 4.206 0.020 A 9 ARG HBx H 1 1.834 0.020 A 9 ARG HBy H 1 1.868 0.008 A 9 ARG HDx H 1 3.214 0.004 A 9 ARG HDy H 1 3.214 0.004 A 9 ARG HE H 1 7.447 0.003 A 9 ARG HGx H 1 1.601 0.012 A 9 ARG HGy H 1 1.670 0.010 A 9 ARG C C 13 177.456 0.000 A 9 ARG CA C 13 57.671 0.001 A 9 ARG CB C 13 30.487 0.002 A 9 ARG CD C 13 43.328 0.000 A 9 ARG CG C 13 27.144 0.023 A 9 ARG CZ C 13 159.558 0.000 A 9 ARG N N 15 121.822 0.013 A 9 ARG NE N 15 84.995 0.004 A 10 ILE H H 1 7.972 0.005 A 10 ILE HA H 1 4.001 0.007 A 10 ILE HB H 1 1.934 0.008 A 10 ILE HD1% H 1 0.890 0.011 A 10 ILE HG1x H 1 1.246 0.007 A 10 ILE HG1y H 1 1.528 0.004 A 10 ILE HG2% H 1 0.903 0.012 A 10 ILE C C 13 177.303 0.000 A 10 ILE CA C 13 62.357 0.039 A 10 ILE CB C 13 38.251 0.070 A 10 ILE CD1 C 13 13.316 0.000 A 10 ILE CG1 C 13 27.872 0.055 A 10 ILE CG2 C 13 17.437 0.000 A 10 ILE N N 15 121.462 0.007 A 11 LEU H H 1 8.281 0.002 A 11 LEU HA H 1 4.222 0.012 A 11 LEU HBx H 1 1.550 0.007 A 11 LEU HBy H 1 1.702 0.010 A 11 LEU HDx% H 1 0.896 0.014 A 11 LEU HDy% H 1 0.900 0.007 A 11 LEU HG H 1 1.700 0.010 A 11 LEU C C 13 178.519 0.000 A 11 LEU CA C 13 56.527 0.008 A 11 LEU CB C 13 42.048 0.044 A 11 LEU CDx C 13 23.441 0.000 A 11 LEU CDy C 13 24.928 0.000 A 11 LEU CG C 13 27.919 0.000 A 11 LEU N N 15 124.216 0.018 A 12 SER H H 1 8.229 0.002 A 12 SER HA H 1 4.302 0.018 A 12 SER HBx H 1 3.937 0.010 A 12 SER HBy H 1 3.939 0.012 A 12 SER C C 13 176.037 0.000 A 12 SER CA C 13 60.029 0.057 A 12 SER CB C 13 63.382 0.048 A 12 SER N N 15 116.413 0.021 A 13 ILE H H 1 7.998 0.009 A 13 ILE HA H 1 4.011 0.008 A 13 ILE HB H 1 1.944 0.005 A 13 ILE HD1% H 1 0.898 0.016 A 13 ILE HG1x H 1 1.173 0.005 A 13 ILE HG1y H 1 1.597 0.010 A 13 ILE HG2% H 1 0.906 0.006 A 13 ILE C C 13 177.541 0.000 A 13 ILE CA C 13 63.272 0.091 A 13 ILE CB C 13 38.569 0.103 A 13 ILE CD1 C 13 12.626 0.000 A 13 ILE CG1 C 13 28.169 0.019 A 13 ILE CG2 C 13 17.427 0.000 A 13 ILE N N 15 123.779 0.017 A 14 LEU H H 1 8.129 0.001 A 14 LEU HA H 1 4.224 0.005 A 14 LEU HBx H 1 1.574 0.003 A 14 LEU HBy H 1 1.701 0.005 A 14 LEU HDx% H 1 0.896 0.016 A 14 LEU HDy% H 1 0.908 0.003 A 14 LEU HG H 1 1.697 0.005 A 14 LEU C C 13 178.377 0.000 A 14 LEU CA C 13 56.497 0.000 A 14 LEU CB C 13 42.018 0.001 A 14 LEU CDx C 13 23.441 0.000 A 14 LEU CDy C 13 25.059 0.000 A 14 LEU CG C 13 27.196 0.000 A 14 LEU N N 15 123.882 0.021 A 15 ARG H H 1 8.268 0.004 A 15 ARG HA H 1 4.199 0.014 A 15 ARG HBy H 1 1.833 0.012 A 15 ARG HBx H 1 1.830 0.008 A 15 ARG HDx H 1 3.195 0.010 A 15 ARG HDy H 1 3.195 0.010 A 15 ARG HE H 1 7.308 0.003 A 15 ARG HGx H 1 1.591 0.030 A 15 ARG HGy H 1 1.661 0.038 A 15 ARG C C 13 177.484 0.000 A 15 ARG CA C 13 57.637 0.059 A 15 ARG CB C 13 30.467 0.000 A 15 ARG CD C 13 43.453 0.000 A 15 ARG CG C 13 27.071 0.002 A 15 ARG CZ C 13 159.511 0.000 A 15 ARG N N 15 120.847 0.023 A 15 ARG NE N 15 85.040 0.007 A 16 HIS H H 1 8.296 0.008 A 16 HIS HA H 1 4.548 0.024 A 16 HIS HBx H 1 3.236 0.017 A 16 HIS HBy H 1 3.286 0.025 A 16 HIS HD2 H 1 7.229 0.022 A 16 HIS HE1 H 1 8.437 0.010 A 16 HIS C C 13 175.818 0.000 A 16 HIS CA C 13 57.525 0.105 A 16 HIS CB C 13 29.511 0.103 A 16 HIS CD2 C 13 120.093 0.000 A 16 HIS CE1 C 13 137.274 0.075 A 16 HIS CG C 13 132.760 0.000 A 16 HIS N N 15 119.717 0.054 A 17 GLN H H 1 8.438 0.009 A 17 GLN HA H 1 4.180 0.009 A 17 GLN HBx H 1 2.093 0.005 A 17 GLN HBy H 1 2.093 0.005 A 17 GLN HE2x H 1 6.941 0.005 A 17 GLN HE2y H 1 7.617 0.001 A 17 GLN HGx H 1 2.403 0.029 A 17 GLN HGy H 1 2.452 0.005 A 17 GLN C C 13 176.763 0.000 A 17 GLN CA C 13 57.022 0.053 A 17 GLN CB C 13 29.387 0.035 A 17 GLN CD C 13 180.214 0.008 A 17 GLN CG C 13 34.105 0.075 A 17 GLN N N 15 120.922 0.038 A 17 GLN NE2 N 15 113.052 0.022 A 18 ASN H H 1 8.577 0.003 A 18 ASN HA H 1 4.636 0.007 A 18 ASN HBx H 1 2.815 0.017 A 18 ASN HBy H 1 2.853 0.023 A 18 ASN HD2y H 1 7.735 0.008 A 18 ASN HD2x H 1 7.015 0.001 A 18 ASN C C 13 175.993 0.000 A 18 ASN CA C 13 54.213 0.049 A 18 ASN CB C 13 38.549 0.028 A 18 ASN CG C 13 176.757 0.011 A 18 ASN N N 15 120.150 0.021 A 18 ASN ND2 N 15 113.491 0.256 A 19 LEU H H 1 8.201 0.004 A 19 LEU HA H 1 4.262 0.001 A 19 LEU HBx H 1 1.637 0.012 A 19 LEU HBy H 1 1.688 0.011 A 19 LEU HDx% H 1 0.893 0.014 A 19 LEU HDy% H 1 0.905 0.008 A 19 LEU HG H 1 1.684 0.013 A 19 LEU C C 13 178.068 0.000 A 19 LEU CA C 13 56.288 0.001 A 19 LEU CB C 13 42.300 0.141 A 19 LEU CDx C 13 23.441 0.000 A 19 LEU CDy C 13 24.928 0.000 A 19 LEU CG C 13 27.196 0.000 A 19 LEU N N 15 123.162 0.022 A 20 LEU H H 1 8.071 0.010 A 20 LEU HA H 1 4.220 0.004 A 20 LEU HBx H 1 1.570 0.001 A 20 LEU HBy H 1 1.697 0.001 A 20 LEU HDx% H 1 0.909 0.005 A 20 LEU HDy% H 1 0.901 0.016 A 20 LEU HG H 1 1.694 0.004 A 20 LEU C C 13 178.128 0.000 A 20 LEU CA C 13 56.033 0.000 A 20 LEU CB C 13 42.018 0.000 A 20 LEU CDy C 13 24.928 0.000 A 20 LEU CDx C 13 23.441 0.000 A 20 LEU CG C 13 27.196 0.000 A 20 LEU N N 15 121.699 0.057 A 21 LYS H H 1 8.065 0.003 A 21 LYS HA H 1 4.201 0.008 A 21 LYS HBx H 1 1.829 0.018 A 21 LYS HBy H 1 1.851 0.007 A 21 LYS HDx H 1 1.695 0.004 A 21 LYS HDy H 1 1.695 0.004 A 21 LYS HEx H 1 2.998 0.001 A 21 LYS HEy H 1 2.998 0.001 A 21 LYS HGx H 1 1.437 0.010 A 21 LYS HGy H 1 1.447 0.016 A 21 LYS C C 13 177.218 0.000 A 21 LYS CA C 13 57.329 0.017 A 21 LYS CB C 13 32.859 0.015 A 21 LYS CD C 13 29.174 0.000 A 21 LYS CE C 13 42.151 0.010 A 21 LYS CG C 13 24.813 0.000 A 21 LYS N N 15 121.911 0.010 A 22 GLU H H 1 8.327 0.004 A 22 GLU HA H 1 4.210 0.011 A 22 GLU HBx H 1 2.023 0.021 A 22 GLU HBy H 1 2.030 0.012 A 22 GLU HGx H 1 2.254 0.005 A 22 GLU HGy H 1 2.254 0.005 A 22 GLU C C 13 177.407 0.000 A 22 GLU CA C 13 57.340 0.006 A 22 GLU CB C 13 29.983 0.032 A 22 GLU CD C 13 184.005 0.000 A 22 GLU CG C 13 36.239 0.000 A 22 GLU N N 15 121.468 0.017 A 23 LEU H H 1 8.225 0.003 A 23 LEU HA H 1 4.303 0.014 A 23 LEU HBx H 1 1.599 0.006 A 23 LEU HBy H 1 1.695 0.005 A 23 LEU HDx% H 1 0.891 0.010 A 23 LEU HDy% H 1 0.895 0.000 A 23 LEU HG H 1 1.694 0.005 A 23 LEU C C 13 178.049 0.000 A 23 LEU CA C 13 55.872 0.070 A 23 LEU CB C 13 42.184 0.000 A 23 LEU CDx C 13 23.441 0.000 A 23 LEU CDy C 13 24.928 0.000 A 23 LEU CG C 13 27.196 0.000 A 23 LEU N N 15 122.618 0.043 A 24 GLN H H 1 8.321 0.003 A 24 GLN HA H 1 4.266 0.011 A 24 GLN HBx H 1 2.055 0.006 A 24 GLN HBy H 1 2.073 0.025 A 24 GLN HE2y H 1 7.605 0.000 A 24 GLN HE2x H 1 6.940 0.007 A 24 GLN HGx H 1 2.382 0.005 A 24 GLN HGy H 1 2.382 0.005 A 24 GLN C C 13 176.028 0.000 A 24 GLN CA C 13 56.304 0.028 A 24 GLN CB C 13 29.470 0.000 A 24 GLN CD C 13 180.612 0.024 A 24 GLN CG C 13 33.854 0.000 A 24 GLN N N 15 121.334 0.004 A 24 GLN NE2 N 15 113.522 0.001 A 25 ASP H H 1 8.442 0.003 A 25 ASP HA H 1 4.600 0.001 A 25 ASP HBy H 1 2.717 0.006 A 25 ASP HBx H 1 2.641 0.007 A 25 ASP C C 13 176.073 0.000 A 25 ASP CA C 13 54.515 0.030 A 25 ASP CB C 13 41.047 0.001 A 25 ASP CG C 13 180.080 0.000 A 25 ASP N N 15 121.418 0.084 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 ASP C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -74.47 -53.79 PHI 2 2 A 8 GLU C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -80.94 -53.78 PHI 3 3 A 9 ARG C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -80.05 -64.13 PHI 4 4 A 11 LEU C A 12 SER N A 12 SER CA A 12 SER C 1.0 -75.36 -59.40 PHI 5 5 A 12 SER C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -76.14 -61.92 PHI 6 6 A 13 ILE C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -77.03 -61.53 PHI 7 7 A 14 LEU C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -78.13 -60.13 PHI 8 8 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ARG N 1.0 -40.93 -23.13 PSI 9 9 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ILE N 1.0 -50.07 -22.61 PSI 10 10 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 LEU N 1.0 -44.80 -22.94 PSI 11 11 A 12 SER N A 12 SER CA A 12 SER C A 13 ILE N 1.0 -43.50 -29.92 PSI 12 12 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 LEU N 1.0 -48.10 -28.86 PSI 13 13 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ARG N 1.0 -48.08 -27.26 PSI 14 14 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 HIS N 1.0 -41.01 -24.93 PSI stop_ save_