data_6290
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6290
_Entry.Title
;
Solution Structure of Cu6Metallothionein from the fungus Neurospora crassa
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2004-08-16
_Entry.Accession_date 2004-08-16
_Entry.Last_release_date 2004-11-29
_Entry.Original_release_date 2004-11-29
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details
;
NMR solution structure determination of chemically synthesized
Cu6Metallothionein from the fungus Neurospora crassa
;
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Paul Cobine . A. . 6290
2 Ryan McKay . T. . 6290
3 Klaus Zangger . . . 6290
4 Charles Dameron . T. . 6290
5 Ian Armitage . M. . 6290
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 6290
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 95 6290
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2004-11-29 2004-08-16 original author . 6290
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 248 'entry is now for chemically synthesized protein at 10C' 6290
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 6290
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 15511227
_Citation.Full_citation .
_Citation.Title 'Solution Structure of Cu Metallothionein from the fungus Neurospora crassa'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Eur. J. Biochem.'
_Citation.Journal_name_full .
_Citation.Journal_volume 271
_Citation.Journal_issue 21
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 4213
_Citation.Page_last 4221
_Citation.Year 2004
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Paul Cobine . A. . 6290 1
2 Ryan McKay . T. . 6290 1
3 Klaus Zangger . . . 6290 1
4 Charles Dameron . T. . 6290 1
5 Ian Armitage . M. . 6290 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
NMR 6290 1
metallothionein 6290 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_molecular_system
_Assembly.Sf_category assembly
_Assembly.Sf_framecode molecular_system
_Assembly.Entry_ID 6290
_Assembly.ID 1
_Assembly.Name 'Nc metallothionein'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all other bound'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'Nc metallothionein' 1 $NcMT . . . native . . . . . 6290 1
2 'COPPER (I) ION' 2 $CU1 . . . native . . . . . 6290 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
. PDB 1T2Y . . . . . . 6290 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
'Nc metallothionein' system 6290 1
'Nc metallothionein' abbreviation 6290 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_NcMT
_Entity.Sf_category entity
_Entity.Sf_framecode NcMT
_Entity.Entry_ID 6290
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name NcMT
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GDCGCSGASSCNCGSGCSCS
NCGSK
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 25
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 248 . metallothionein . . . . . 100.00 25 100.00 100.00 2.56e-04 . . . . 6290 1
2 no PDB 1T2Y . "Nmr Solution Structure Of The Protein Part Of Cu6- Neurospora Crassa Mt" . . . . . 100.00 25 100.00 100.00 2.56e-04 . . . . 6290 1
3 no DBJ BAA00285 . "copper metallothionein [synthetic construct]" . . . . . 100.00 26 100.00 100.00 2.01e-04 . . . . 6290 1
4 no DBJ BAA00295 . "metallothionein [synthetic construct]" . . . . . 100.00 27 100.00 100.00 1.65e-04 . . . . 6290 1
5 no EMBL CAA26793 . "copper metallothionein [Neurospora crassa]" . . . . . 100.00 26 100.00 100.00 2.01e-04 . . . . 6290 1
6 no GB AAA33595 . "metallothionein [Neurospora crassa]" . . . . . 100.00 26 100.00 100.00 2.01e-04 . . . . 6290 1
7 no GB EEY23428 . "predicted protein [Verticillium alfalfae VaMs.102]" . . . . . 60.00 125 100.00 100.00 5.57e+00 . . . . 6290 1
8 no GB EGO54291 . "hypothetical protein NEUTE1DRAFT_96043 [Neurospora tetrasperma FGSC 2508]" . . . . . 68.00 54 100.00 100.00 2.07e+00 . . . . 6290 1
9 no GB EGZ68272 . "hypothetical protein NEUTE2DRAFT_122565 [Neurospora tetrasperma FGSC 2509]" . . . . . 68.00 54 100.00 100.00 2.07e+00 . . . . 6290 1
10 no GB ESA42185 . "copper metallothionein [Neurospora crassa OR74A]" . . . . . 100.00 26 100.00 100.00 2.01e-04 . . . . 6290 1
11 no REF XP_003000343 . "predicted protein [Verticillium alfalfae VaMs.102]" . . . . . 60.00 125 100.00 100.00 5.57e+00 . . . . 6290 1
12 no REF XP_009854261 . "hypothetical protein NEUTE1DRAFT_96043 [Neurospora tetrasperma FGSC 2508]" . . . . . 68.00 54 100.00 100.00 2.07e+00 . . . . 6290 1
13 no SP P02807 . "RecName: Full=Metallothionein; Short=MT [Neurospora crassa OR74A]" . . . . . 100.00 26 100.00 100.00 2.01e-04 . . . . 6290 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
NcMT common 6290 1
NcMT abbreviation 6290 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 6290 1
2 . ASP . 6290 1
3 . CYS . 6290 1
4 . GLY . 6290 1
5 . CYS . 6290 1
6 . SER . 6290 1
7 . GLY . 6290 1
8 . ALA . 6290 1
9 . SER . 6290 1
10 . SER . 6290 1
11 . CYS . 6290 1
12 . ASN . 6290 1
13 . CYS . 6290 1
14 . GLY . 6290 1
15 . SER . 6290 1
16 . GLY . 6290 1
17 . CYS . 6290 1
18 . SER . 6290 1
19 . CYS . 6290 1
20 . SER . 6290 1
21 . ASN . 6290 1
22 . CYS . 6290 1
23 . GLY . 6290 1
24 . SER . 6290 1
25 . LYS . 6290 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 6290 1
. ASP 2 2 6290 1
. CYS 3 3 6290 1
. GLY 4 4 6290 1
. CYS 5 5 6290 1
. SER 6 6 6290 1
. GLY 7 7 6290 1
. ALA 8 8 6290 1
. SER 9 9 6290 1
. SER 10 10 6290 1
. CYS 11 11 6290 1
. ASN 12 12 6290 1
. CYS 13 13 6290 1
. GLY 14 14 6290 1
. SER 15 15 6290 1
. GLY 16 16 6290 1
. CYS 17 17 6290 1
. SER 18 18 6290 1
. CYS 19 19 6290 1
. SER 20 20 6290 1
. ASN 21 21 6290 1
. CYS 22 22 6290 1
. GLY 23 23 6290 1
. SER 24 24 6290 1
. LYS 25 25 6290 1
stop_
save_
save_CU1
_Entity.Sf_category entity
_Entity.Sf_framecode CU1
_Entity.Entry_ID 6290
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name CU1
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID CU1
_Entity.Nonpolymer_comp_label $chem_comp_CU1
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . CU1 . 6290 2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 6290
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $NcMT . 5141 organism . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . . . . . . . . . 6290 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 6290
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $NcMT . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6290 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_CU1
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_CU1
_Chem_comp.Entry_ID 6290
_Chem_comp.ID CU1
_Chem_comp.Provenance .
_Chem_comp.Name 'COPPER (I) ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code CU1
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2011-06-04
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code CU1
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 1
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Cu
_Chem_comp.Formula_weight 63.546
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jun 16 09:59:28 2011
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
[Cu+] SMILES ACDLabs 10.04 6290 CU1
[Cu+] SMILES_CANONICAL CACTVS 3.341 6290 CU1
[Cu+] SMILES CACTVS 3.341 6290 CU1
[Cu+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6290 CU1
[Cu+] SMILES 'OpenEye OEToolkits' 1.5.0 6290 CU1
InChI=1S/Cu/q+1 InChI InChI 1.03 6290 CU1
VMQMZMRVKUZKQL-UHFFFAOYSA-N InChIKey InChI 1.03 6290 CU1
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
copper(1+) 'SYSTEMATIC NAME' ACDLabs 10.04 6290 CU1
'copper(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6290 CU1
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
CU . CU . . CU . . N 1 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6290 CU1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Sample.Sf_category sample
_Sample.Sf_framecode sample
_Sample.Entry_ID 6290
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 NcMT . . . 1 $NcMT . . 3.6 . . mM . . . . 6290 1
2 KPi . . . . . . . 20 . . mM . . . . 6290 1
3 DSS . . . . . . . 0.1 . . mM . . . . 6290 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions
_Sample_condition_list.Entry_ID 6290
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 6.5 0.05 pH 6290 1
temperature 283 1 K 6290 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 6290
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 6290
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Varian INOVA . 800 . . . 6290 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 6290
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 . . 1 $NMR_applied_experiment . . . . . . . . 1 $sample . . . 1 $sample_conditions . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6290 1
stop_
save_
save_NMR_applied_experiment
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_applied_experiment
_NMR_spec_expt.Entry_ID 6290
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name NMR_applied_experiment
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 6290
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6290 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 6290
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample . 6290 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ASP H H 1 8.68 . . . . . . . . . . . 6290 1
2 . 1 1 2 2 ASP HA H 1 5.14 . . . . . . . . . . . 6290 1
3 . 1 1 2 2 ASP HB3 H 1 2.74 . . . . . . . . . . . 6290 1
4 . 1 1 2 2 ASP HB2 H 1 2.94 . . . . . . . . . . . 6290 1
5 . 1 1 3 3 CYS H H 1 8.39 . . . . . . . . . . . 6290 1
6 . 1 1 3 3 CYS HA H 1 4.71 . . . . . . . . . . . 6290 1
7 . 1 1 3 3 CYS HB3 H 1 2.63 . . . . . . . . . . . 6290 1
8 . 1 1 3 3 CYS HB2 H 1 3.67 . . . . . . . . . . . 6290 1
9 . 1 1 4 4 GLY H H 1 8.62 . . . . . . . . . . . 6290 1
10 . 1 1 4 4 GLY HA3 H 1 3.73 . . . . . . . . . . . 6290 1
11 . 1 1 4 4 GLY HA2 H 1 4.46 . . . . . . . . . . . 6290 1
12 . 1 1 5 5 CYS H H 1 8.32 . . . . . . . . . . . 6290 1
13 . 1 1 5 5 CYS HA H 1 4.44 . . . . . . . . . . . 6290 1
14 . 1 1 5 5 CYS HB3 H 1 2.94 . . . . . . . . . . . 6290 1
15 . 1 1 5 5 CYS HB2 H 1 3.56 . . . . . . . . . . . 6290 1
16 . 1 1 6 6 SER H H 1 8.79 . . . . . . . . . . . 6290 1
17 . 1 1 6 6 SER HA H 1 4.60 . . . . . . . . . . . 6290 1
18 . 1 1 6 6 SER HB2 H 1 3.86 . . . . . . . . . . . 6290 1
19 . 1 1 7 7 GLY H H 1 7.43 . . . . . . . . . . . 6290 1
20 . 1 1 7 7 GLY HA3 H 1 3.96 . . . . . . . . . . . 6290 1
21 . 1 1 7 7 GLY HA2 H 1 4.19 . . . . . . . . . . . 6290 1
22 . 1 1 8 8 ALA H H 1 8.90 . . . . . . . . . . . 6290 1
23 . 1 1 8 8 ALA HA H 1 4.31 . . . . . . . . . . . 6290 1
24 . 1 1 8 8 ALA HB1 H 1 1.50 . . . . . . . . . . . 6290 1
25 . 1 1 8 8 ALA HB2 H 1 1.50 . . . . . . . . . . . 6290 1
26 . 1 1 8 8 ALA HB3 H 1 1.50 . . . . . . . . . . . 6290 1
27 . 1 1 9 9 SER H H 1 8.66 . . . . . . . . . . . 6290 1
28 . 1 1 9 9 SER HA H 1 4.36 . . . . . . . . . . . 6290 1
29 . 1 1 9 9 SER HB3 H 1 3.92 . . . . . . . . . . . 6290 1
30 . 1 1 9 9 SER HB2 H 1 4.08 . . . . . . . . . . . 6290 1
31 . 1 1 10 10 SER H H 1 7.64 . . . . . . . . . . . 6290 1
32 . 1 1 10 10 SER HA H 1 4.72 . . . . . . . . . . . 6290 1
33 . 1 1 10 10 SER HB3 H 1 3.64 . . . . . . . . . . . 6290 1
34 . 1 1 10 10 SER HB2 H 1 4.36 . . . . . . . . . . . 6290 1
35 . 1 1 11 11 CYS H H 1 7.29 . . . . . . . . . . . 6290 1
36 . 1 1 11 11 CYS HA H 1 4.63 . . . . . . . . . . . 6290 1
37 . 1 1 11 11 CYS HB3 H 1 2.91 . . . . . . . . . . . 6290 1
38 . 1 1 11 11 CYS HB2 H 1 3.25 . . . . . . . . . . . 6290 1
39 . 1 1 12 12 ASN H H 1 8.53 . . . . . . . . . . . 6290 1
40 . 1 1 12 12 ASN HA H 1 5.17 . . . . . . . . . . . 6290 1
41 . 1 1 12 12 ASN HB3 H 1 2.85 . . . . . . . . . . . 6290 1
42 . 1 1 12 12 ASN HD21 H 1 7.62 . . . . . . . . . . . 6290 1
43 . 1 1 12 12 ASN HD22 H 1 6.90 . . . . . . . . . . . 6290 1
44 . 1 1 12 12 ASN HB2 H 1 2.91 . . . . . . . . . . . 6290 1
45 . 1 1 13 13 CYS H H 1 9.52 . . . . . . . . . . . 6290 1
46 . 1 1 13 13 CYS HA H 1 3.86 . . . . . . . . . . . 6290 1
47 . 1 1 13 13 CYS HB2 H 1 3.05 . . . . . . . . . . . 6290 1
48 . 1 1 14 14 GLY H H 1 8.68 . . . . . . . . . . . 6290 1
49 . 1 1 14 14 GLY HA3 H 1 3.74 . . . . . . . . . . . 6290 1
50 . 1 1 14 14 GLY HA2 H 1 4.12 . . . . . . . . . . . 6290 1
51 . 1 1 15 15 SER H H 1 8.71 . . . . . . . . . . . 6290 1
52 . 1 1 15 15 SER HA H 1 4.16 . . . . . . . . . . . 6290 1
53 . 1 1 15 15 SER HB3 H 1 3.87 . . . . . . . . . . . 6290 1
54 . 1 1 15 15 SER HB2 H 1 3.91 . . . . . . . . . . . 6290 1
55 . 1 1 16 16 GLY H H 1 8.75 . . . . . . . . . . . 6290 1
56 . 1 1 16 16 GLY HA3 H 1 3.81 . . . . . . . . . . . 6290 1
57 . 1 1 16 16 GLY HA2 H 1 4.02 . . . . . . . . . . . 6290 1
58 . 1 1 17 17 CYS H H 1 7.32 . . . . . . . . . . . 6290 1
59 . 1 1 17 17 CYS HA H 1 4.15 . . . . . . . . . . . 6290 1
60 . 1 1 17 17 CYS HB3 H 1 2.81 . . . . . . . . . . . 6290 1
61 . 1 1 17 17 CYS HB2 H 1 3.21 . . . . . . . . . . . 6290 1
62 . 1 1 18 18 SER H H 1 9.03 . . . . . . . . . . . 6290 1
63 . 1 1 18 18 SER HA H 1 4.84 . . . . . . . . . . . 6290 1
64 . 1 1 18 18 SER HB3 H 1 3.76 . . . . . . . . . . . 6290 1
65 . 1 1 18 18 SER HB2 H 1 4.14 . . . . . . . . . . . 6290 1
66 . 1 1 19 19 CYS H H 1 9.38 . . . . . . . . . . . 6290 1
67 . 1 1 19 19 CYS HA H 1 4.40 . . . . . . . . . . . 6290 1
68 . 1 1 19 19 CYS HB3 H 1 2.73 . . . . . . . . . . . 6290 1
69 . 1 1 19 19 CYS HB2 H 1 3.40 . . . . . . . . . . . 6290 1
70 . 1 1 20 20 SER H H 1 9.37 . . . . . . . . . . . 6290 1
71 . 1 1 20 20 SER HA H 1 4.21 . . . . . . . . . . . 6290 1
72 . 1 1 20 20 SER HB2 H 1 3.91 . . . . . . . . . . . 6290 1
73 . 1 1 21 21 ASN H H 1 9.11 . . . . . . . . . . . 6290 1
74 . 1 1 21 21 ASN HA H 1 4.61 . . . . . . . . . . . 6290 1
75 . 1 1 21 21 ASN HB3 H 1 2.56 . . . . . . . . . . . 6290 1
76 . 1 1 21 21 ASN HD21 H 1 7.65 . . . . . . . . . . . 6290 1
77 . 1 1 21 21 ASN HD22 H 1 7.05 . . . . . . . . . . . 6290 1
78 . 1 1 21 21 ASN HB2 H 1 2.91 . . . . . . . . . . . 6290 1
79 . 1 1 22 22 CYS H H 1 6.98 . . . . . . . . . . . 6290 1
80 . 1 1 22 22 CYS HA H 1 4.47 . . . . . . . . . . . 6290 1
81 . 1 1 22 22 CYS HB3 H 1 2.79 . . . . . . . . . . . 6290 1
82 . 1 1 22 22 CYS HB2 H 1 3.18 . . . . . . . . . . . 6290 1
83 . 1 1 23 23 GLY H H 1 7.77 . . . . . . . . . . . 6290 1
84 . 1 1 23 23 GLY HA3 H 1 3.98 . . . . . . . . . . . 6290 1
85 . 1 1 23 23 GLY HA2 H 1 4.01 . . . . . . . . . . . 6290 1
86 . 1 1 24 24 SER H H 1 8.12 . . . . . . . . . . . 6290 1
87 . 1 1 24 24 SER HA H 1 4.46 . . . . . . . . . . . 6290 1
88 . 1 1 24 24 SER HB3 H 1 3.78 . . . . . . . . . . . 6290 1
89 . 1 1 24 24 SER HB2 H 1 3.83 . . . . . . . . . . . 6290 1
90 . 1 1 25 25 LYS H H 1 8.14 . . . . . . . . . . . 6290 1
91 . 1 1 25 25 LYS HA H 1 4.18 . . . . . . . . . . . 6290 1
92 . 1 1 25 25 LYS HB3 H 1 1.72 . . . . . . . . . . . 6290 1
93 . 1 1 25 25 LYS HD3 H 1 1.39 . . . . . . . . . . . 6290 1
94 . 1 1 25 25 LYS HB2 H 1 1.84 . . . . . . . . . . . 6290 1
95 . 1 1 25 25 LYS HD2 H 1 1.67 . . . . . . . . . . . 6290 1
stop_
save_