data_nef_c25122_2msf 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MSF 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 4 CYS SG 1 12 CYS SG 1 7 CYS SG 1 28 CYS SG 1 11 CYS SG 1 21 CYS SG 1 16 CYS SG 1 26 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 LYS start . . 2 A 2 PRO middle . false 3 A 3 LYS middle . . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 LEU middle . . 7 A 7 CYS middle -HG . 8 A 8 ARG middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 CYS middle -HG . 12 A 12 CYS middle -HG . 13 A 13 SER middle . . 14 A 14 GLY middle . false 15 A 15 GLY middle . false 16 A 16 CYS middle -HG . 17 A 17 SER middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 LYS middle . . 21 A 21 CYS middle -HG . 22 A 22 VAL middle . . 23 A 23 ASN middle . . 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 CYS middle -HG . 27 A 27 ASP middle . . 28 A 28 CYS middle -HG . 29 A 29 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 LYS HA H 1 4.374 0.020 A 1 LYS HB2 H 1 1.949 0.020 A 1 LYS HB3 H 1 1.949 0.020 A 1 LYS HD2 H 1 1.735 0.020 A 1 LYS HD3 H 1 1.735 0.020 A 1 LYS HE2 H 1 3.027 0.020 A 1 LYS HE3 H 1 3.027 0.020 A 1 LYS HG2 H 1 1.532 0.020 A 1 LYS HG3 H 1 1.532 0.020 A 1 LYS HZ1 H 1 7.657 0.020 A 1 LYS HZ2 H 1 7.657 0.020 A 1 LYS HZ3 H 1 7.657 0.020 A 1 LYS CA C 13 54.518 0.3 A 1 LYS CB C 13 32.212 0.3 A 1 LYS CD C 13 29.326 0.3 A 1 LYS CE C 13 41.968 0.3 A 1 LYS CG C 13 23.798 0.3 A 2 PRO HA H 1 4.497 0.020 A 2 PRO HBy H 1 2.367 0.020 A 2 PRO HBx H 1 1.838 0.020 A 2 PRO HDy H 1 3.787 0.020 A 2 PRO HDx H 1 3.590 0.020 A 2 PRO HG2 H 1 2.017 0.020 A 2 PRO HG3 H 1 2.017 0.020 A 2 PRO CA C 13 63.150 0.3 A 2 PRO CB C 13 32.484 0.3 A 2 PRO CD C 13 50.749 0.3 A 2 PRO CG C 13 27.606 0.3 A 3 LYS H H 1 8.726 0.020 A 3 LYS HA H 1 4.334 0.020 A 3 LYS HBy H 1 1.739 0.020 A 3 LYS HBx H 1 1.665 0.020 A 3 LYS HD2 H 1 1.595 0.020 A 3 LYS HD3 H 1 1.595 0.020 A 3 LYS HE2 H 1 2.902 0.020 A 3 LYS HE3 H 1 2.902 0.020 A 3 LYS HGy H 1 1.455 0.020 A 3 LYS HGx H 1 1.338 0.020 A 3 LYS HZ1 H 1 7.603 0.020 A 3 LYS HZ2 H 1 7.603 0.020 A 3 LYS HZ3 H 1 7.603 0.020 A 3 LYS CA C 13 56.331 0.3 A 3 LYS CB C 13 33.376 0.3 A 3 LYS CD C 13 29.196 0.3 A 3 LYS CE C 13 42.064 0.3 A 3 LYS CG C 13 25.000 0.3 A 4 CYS H H 1 8.164 0.020 A 4 CYS HA H 1 5.230 0.020 A 4 CYS HB2 H 1 3.022 0.020 A 4 CYS HB3 H 1 3.022 0.020 A 4 CYS CA C 13 53.995 0.3 A 4 CYS CB C 13 45.331 0.3 A 5 GLY H H 1 9.544 0.020 A 5 GLY HAy H 1 4.359 0.020 A 5 GLY HAx H 1 4.209 0.020 A 5 GLY CA C 13 48.681 0.3 A 6 LEU H H 1 6.355 0.020 A 6 LEU HA H 1 4.704 0.020 A 6 LEU HBy H 1 1.483 0.020 A 6 LEU HBx H 1 0.904 0.020 A 6 LEU HDx% H 1 0.604 0.020 A 6 LEU HDy% H 1 0.753 0.020 A 6 LEU HG H 1 1.333 0.020 A 6 LEU CA C 13 52.646 0.3 A 6 LEU CB C 13 42.987 0.3 A 6 LEU CD1 C 13 25.128 0.3 A 6 LEU CD2 C 13 22.715 0.3 A 6 LEU CG C 13 27.236 0.3 A 7 CYS H H 1 8.277 0.020 A 7 CYS HA H 1 4.077 0.020 A 7 CYS HBy H 1 3.060 0.020 A 7 CYS HBx H 1 2.746 0.020 A 7 CYS CA C 13 57.158 0.3 A 7 CYS CB C 13 38.748 0.3 A 8 ARG H H 1 9.053 0.020 A 8 ARG HA H 1 3.844 0.020 A 8 ARG HBy H 1 2.344 0.020 A 8 ARG HBx H 1 1.956 0.020 A 8 ARG HD2 H 1 3.223 0.020 A 8 ARG HD3 H 1 3.223 0.020 A 8 ARG HG2 H 1 1.622 0.020 A 8 ARG HG3 H 1 1.622 0.020 A 8 ARG CA C 13 59.504 0.3 A 8 ARG CB C 13 27.840 0.3 A 8 ARG CD C 13 43.377 0.3 A 8 ARG CG C 13 28.289 0.3 A 9 TYR H H 1 8.548 0.020 A 9 TYR HA H 1 4.762 0.020 A 9 TYR HB2 H 1 3.175 0.020 A 9 TYR HB3 H 1 3.175 0.020 A 9 TYR HD1 H 1 7.069 0.020 A 9 TYR HD2 H 1 7.069 0.020 A 9 TYR HE1 H 1 6.827 0.020 A 9 TYR HE2 H 1 6.827 0.020 A 9 TYR CA C 13 56.807 0.3 A 9 TYR CB C 13 39.997 0.3 A 9 TYR CD1 C 13 132.746 0.3 A 9 TYR CD2 C 13 132.746 0.3 A 9 TYR CE1 C 13 118.100 0.3 A 9 TYR CE2 C 13 118.100 0.3 A 10 ARG H H 1 8.678 0.020 A 10 ARG HA H 1 4.819 0.020 A 10 ARG HB2 H 1 2.045 0.020 A 10 ARG HB3 H 1 2.045 0.020 A 10 ARG HD2 H 1 3.296 0.020 A 10 ARG HD3 H 1 3.296 0.020 A 10 ARG HGy H 1 1.978 0.020 A 10 ARG HGx H 1 1.804 0.020 A 10 ARG CB C 13 30.284 0.3 A 10 ARG CD C 13 43.384 0.3 A 10 ARG CG C 13 26.466 0.3 A 11 CYS H H 1 7.889 0.020 A 11 CYS HA H 1 4.384 0.020 A 11 CYS HBy H 1 3.247 0.020 A 11 CYS HBx H 1 3.170 0.020 A 11 CYS CA C 13 55.732 0.3 A 11 CYS CB C 13 40.017 0.3 A 12 CYS H H 1 9.242 0.020 A 12 CYS HBy H 1 3.346 0.020 A 12 CYS HBx H 1 2.878 0.020 A 12 CYS CB C 13 39.225 0.3 A 13 SER H H 1 9.390 0.020 A 13 SER HA H 1 4.084 0.020 A 13 SER HBy H 1 3.990 0.020 A 13 SER HBx H 1 3.848 0.020 A 13 SER CA C 13 59.982 0.3 A 13 SER CB C 13 61.752 0.3 A 14 GLY H H 1 8.245 0.020 A 14 GLY HAy H 1 4.015 0.020 A 14 GLY HAx H 1 4.010 0.020 A 14 GLY CA C 13 44.893 0.3 A 15 GLY H H 1 7.870 0.020 A 15 GLY HAy H 1 4.222 0.020 A 15 GLY HAx H 1 4.059 0.020 A 15 GLY CA C 13 44.309 0.3 A 16 CYS H H 1 8.751 0.020 A 16 CYS HA H 1 4.865 0.020 A 16 CYS HBy H 1 3.190 0.020 A 16 CYS HBx H 1 2.448 0.020 A 16 CYS CB C 13 46.306 0.3 A 17 SER H H 1 9.676 0.020 A 17 SER HA H 1 4.370 0.020 A 17 SER HB2 H 1 3.900 0.020 A 17 SER HB3 H 1 3.900 0.020 A 17 SER CA C 13 60.383 0.3 A 17 SER CB C 13 63.143 0.3 A 18 SER H H 1 7.584 0.020 A 18 SER HA H 1 4.588 0.020 A 18 SER HBy H 1 3.844 0.020 A 18 SER HBx H 1 3.675 0.020 A 18 SER CA C 13 58.071 0.3 A 18 SER CB C 13 65.980 0.3 A 19 GLY H H 1 8.248 0.020 A 19 GLY HAy H 1 4.030 0.020 A 19 GLY HAx H 1 3.804 0.020 A 19 GLY CA C 13 45.178 0.3 A 20 LYS H H 1 8.045 0.020 A 20 LYS HA H 1 4.617 0.020 A 20 LYS HBy H 1 1.750 0.020 A 20 LYS HBx H 1 1.683 0.020 A 20 LYS HD2 H 1 1.637 0.020 A 20 LYS HD3 H 1 1.637 0.020 A 20 LYS HE2 H 1 2.942 0.020 A 20 LYS HE3 H 1 2.942 0.020 A 20 LYS HG2 H 1 1.389 0.020 A 20 LYS HG3 H 1 1.389 0.020 A 20 LYS HZ1 H 1 7.600 0.020 A 20 LYS HZ2 H 1 7.600 0.020 A 20 LYS HZ3 H 1 7.600 0.020 A 20 LYS CA C 13 53.902 0.3 A 20 LYS CB C 13 35.978 0.3 A 20 LYS CD C 13 29.250 0.3 A 20 LYS CE C 13 42.153 0.3 A 20 LYS CG C 13 24.528 0.3 A 21 CYS H H 1 9.289 0.020 A 21 CYS HA H 1 4.518 0.020 A 21 CYS HBy H 1 3.080 0.020 A 21 CYS HBx H 1 2.819 0.020 A 21 CYS CA C 13 58.036 0.3 A 21 CYS CB C 13 40.579 0.3 A 22 VAL H H 1 9.531 0.020 A 22 VAL HA H 1 4.274 0.020 A 22 VAL HB H 1 2.030 0.020 A 22 VAL HG1% H 1 0.964 0.020 A 22 VAL HG2% H 1 0.964 0.020 A 22 VAL CA C 13 62.232 0.3 A 22 VAL CB C 13 34.834 0.3 A 22 VAL CG1 C 13 20.867 0.3 A 22 VAL CG2 C 13 20.867 0.3 A 23 ASN H H 1 9.697 0.020 A 23 ASN HA H 1 4.383 0.020 A 23 ASN HBy H 1 3.119 0.020 A 23 ASN HBx H 1 2.800 0.020 A 23 ASN HD21 H 1 7.006 0.020 A 23 ASN HD22 H 1 7.812 0.020 A 23 ASN CA C 13 54.267 0.3 A 23 ASN CB C 13 37.274 0.3 A 24 GLY H H 1 8.451 0.020 A 24 GLY HAy H 1 4.170 0.020 A 24 GLY HAx H 1 3.577 0.020 A 24 GLY CA C 13 46.215 0.3 A 25 ALA H H 1 8.037 0.020 A 25 ALA HA H 1 5.070 0.020 A 25 ALA HB% H 1 1.209 0.020 A 25 ALA CB C 13 22.146 0.3 A 26 CYS H H 1 8.901 0.020 A 26 CYS HA H 1 4.752 0.020 A 26 CYS HBy H 1 3.430 0.020 A 26 CYS HBx H 1 2.926 0.020 A 26 CYS CA C 13 55.273 0.3 A 26 CYS CB C 13 40.496 0.3 A 27 ASP H H 1 9.766 0.020 A 27 ASP HA H 1 4.886 0.020 A 27 ASP HBy H 1 3.136 0.020 A 27 ASP HBx H 1 2.830 0.020 A 27 ASP CB C 13 40.549 0.3 A 28 CYS H H 1 9.651 0.020 A 28 CYS HA H 1 4.762 0.020 A 28 CYS HBy H 1 3.669 0.020 A 28 CYS HBx H 1 3.059 0.020 A 28 CYS CA C 13 53.834 0.3 A 28 CYS CB C 13 41.376 0.3 A 29 SER H H 1 8.585 0.020 A 29 SER HA H 1 4.322 0.020 A 29 SER HB2 H 1 3.957 0.020 A 29 SER HB3 H 1 3.957 0.020 A 29 SER CA C 13 59.527 0.3 A 29 SER CB C 13 63.903 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 1 LYS HA A 1 LYS HB2 1.0 1.8 2.8 2 1 A 1 LYS HA A 1 LYS HB3 1.0 1.8 2.8 3 2 A 3 LYS HA A 3 LYS HBy 1.0 1.8 2.8 4 2 A 3 LYS HA A 3 LYS HBx 1.0 1.8 2.8 5 3 A 6 LEU HA A 6 LEU HBy 1.0 1.8 2.8 6 3 A 6 LEU HA A 6 LEU HBx 1.0 1.8 2.8 7 4 A 7 CYS HA A 7 CYS HBy 1.0 1.8 2.6 8 4 A 7 CYS HA A 7 CYS HBx 1.0 1.8 2.6 9 5 A 8 ARG HA A 8 ARG HBy 1.0 1.8 2.8 10 5 A 8 ARG HA A 8 ARG HBx 1.0 1.8 2.8 11 6 A 9 TYR HA A 9 TYR HB2 1.0 1.4 3.2 12 6 A 9 TYR HA A 9 TYR HB3 1.0 1.4 3.2 13 7 A 10 ARG HA A 10 ARG HB2 1.0 1.5 2.3 14 7 A 10 ARG HA A 10 ARG HB3 1.0 1.5 2.3 15 8 A 11 CYS HA A 11 CYS HBy 1.0 1.8 2.6 16 8 A 11 CYS HA A 11 CYS HBx 1.0 1.8 2.6 17 9 A 16 CYS HA A 16 CYS HBy 1.0 1.8 2.8 18 9 A 16 CYS HA A 16 CYS HBx 1.0 1.8 2.8 19 10 A 17 SER HA A 17 SER HB2 1.0 1.4 3.2 20 10 A 17 SER HA A 17 SER HB3 1.0 1.4 3.2 21 11 A 18 SER HA A 18 SER HBy 1.0 1.4 2.8 22 11 A 18 SER HA A 18 SER HBx 1.0 1.4 2.8 23 12 A 20 LYS HA A 20 LYS HBy 1.0 1.8 2.6 24 12 A 20 LYS HA A 20 LYS HBx 1.0 1.8 2.6 25 13 A 21 CYS HA A 21 CYS HBy 1.0 1.7 2.5 26 13 A 21 CYS HA A 21 CYS HBx 1.0 1.7 2.5 27 14 A 22 VAL HA A 22 VAL HB 1.0 1.9 2.9 28 15 A 23 ASN HA A 23 ASN HBy 1.0 1.7 2.5 29 15 A 23 ASN HA A 23 ASN HBx 1.0 1.7 2.5 30 16 A 26 CYS HA A 26 CYS HBy 1.0 1.8 2.8 31 16 A 26 CYS HA A 26 CYS HBx 1.0 1.8 2.8 32 17 A 27 ASP HA A 27 ASP HBy 1.0 1.7 2.5 33 17 A 27 ASP HA A 27 ASP HBx 1.0 1.7 2.5 34 18 A 29 SER HA A 29 SER HB2 1.0 1.3 2.6 35 18 A 29 SER HA A 29 SER HB3 1.0 1.3 2.6 36 19 A 6 LEU HA A 6 LEU HG 1.0 1.9 2.9 37 20 A 6 LEU HG A 6 LEU HBy 1.0 1.8 2.6 38 20 A 6 LEU HBx A 6 LEU HG 1.0 1.8 2.6 39 21 A 2 PRO HA A 3 LYS HBy 1.0 2.4 4.0 40 21 A 3 LYS HBx A 2 PRO HA 1.0 2.4 4.0 41 22 A 20 LYS HA A 21 CYS HBy 1.0 2.1 4.1 42 22 A 20 LYS HA A 21 CYS HBx 1.0 2.1 4.1 43 23 A 26 CYS HA A 27 ASP HBy 1.0 2.1 4.2 44 23 A 26 CYS HA A 27 ASP HBx 1.0 2.1 4.2 45 24 A 6 LEU HBx A 9 TYR HB2 1.0 2.2 3.4 46 24 A 6 LEU HBy A 9 TYR HB2 1.0 2.2 3.4 47 24 A 9 TYR HB3 A 6 LEU HBy 1.0 2.2 3.4 48 24 A 6 LEU HBx A 9 TYR HB3 1.0 2.2 3.4 49 25 A 20 LYS HA A 16 CYS HBy 1.0 2.1 3.1 50 25 A 20 LYS HA A 16 CYS HBx 1.0 2.1 3.1 51 26 A 4 CYS HA A 9 TYR HB2 1.0 1.6 2.4 52 26 A 4 CYS HA A 9 TYR HB3 1.0 1.6 2.4 53 27 A 4 CYS HA A 10 ARG HB2 1.0 2.1 5.0 54 27 A 4 CYS HA A 10 ARG HB3 1.0 2.1 5.0 55 28 A 25 ALA HA A 10 ARG HB2 1.0 2.0 3.0 56 28 A 25 ALA HA A 10 ARG HB3 1.0 2.0 3.0 57 29 A 22 VAL HB A 27 ASP HBy 1.0 1.9 2.9 58 29 A 22 VAL HB A 27 ASP HBx 1.0 1.9 2.9 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 5 GLY C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -180.0 -60.0 PHI 2 2 A 8 ARG C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -180.0 -60.0 PHI 3 3 A 10 ARG C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -120.0 0.0 PHI 4 4 A 11 CYS C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -120.0 0.0 PHI 5 5 A 12 CYS C A 13 SER N A 13 SER CA A 13 SER C 1.0 -120.0 0.0 PHI 6 6 A 15 GLY C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -180.0 -60.0 PHI 7 7 A 16 CYS C A 17 SER N A 17 SER CA A 17 SER C 1.0 -180.0 -60.0 PHI 8 8 A 20 LYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -120.0 0.0 PHI 9 9 A 25 ALA C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -120.0 0.0 PHI 10 10 A 26 CYS C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -180.0 -60.0 PHI 11 11 A 27 ASP C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -180.0 -60.0 PHI 12 12 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -120.0 0.0 PHI 13 13 A 1 LYS CA A 1 LYS C A 2 PRO N A 2 PRO CA 1.0 120.0 240.0 OMEGA stop_ save_