data_5707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5707 _Entry.Title ; Sequence-specific 1H, 13C and 15N resonance assignments of the birch pollen allergen Bet v 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-24 _Entry.Accession_date 2003-02-24 _Entry.Last_release_date 2003-02-24 _Entry.Original_release_date 2003-02-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 Philipp Neudecker . . . . 5707 2 Joerg Nerkamp . . . . 5707 3 Anke Eisenmann . . . . 5707 4 Thomas Lauber . . . . 5707 5 Katrin Lehmann . . . . 5707 6 Kristian Schweimer . . . . 5707 7 Paul Roesch . . . . 5707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5707 coupling_constants 1 5707 heteronucl_NOEs 2 5707 heteronucl_T1_relaxation 1 5707 heteronucl_T2_relaxation 2 5707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 5707 '15N chemical shifts' 92 5707 '1H chemical shifts' 580 5707 'T1 relaxation values' 64 5707 'T2 relaxation values' 128 5707 'coupling constants' 66 5707 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 2 . . 2004-03-07 . original author 'original release' 5707 1 . . 2003-03-30 . update author 'update the citation' 5707 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5707 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15037075 _Citation.Full_citation . _Citation.Title ; Solution Structure, Dynamics, and Hydrodynamics of the Calcium-bound Cross-reactive Birch Pollen Allergen Bet v 4 Reveal a Canonical Monomeric Two-EF-hand Assembly with a Regulatory Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 336 _Citation.Journal_issue 5 _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 1141 _Citation.Page_last 1157 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Philipp Neudecker . . . . 5707 1 2 Joerg Nerkamp . . . . 5707 1 3 Anke Eisenmann . . . . 5707 1 4 Amanda Nourse . . . . 5707 1 5 Thomas Lauber . . . . 5707 1 6 Kristian Schweimer . . . . 5707 1 7 Katrin Lehmann . . . . 5707 1 8 Stephan Schwarzinger . . . . 5707 1 9 Fatima Ferreira . . . . 5707 1 10 Paul Roesch . . . . 5707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Bet_v_4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Bet_v_4 _Assembly.Entry_ID 5707 _Assembly.ID 1 _Assembly.Name 'Bet v 4' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5707 1 stop_ 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 'Bet v 4' 1 $Bet_v_4 . . . native . . . . . 5707 1 2 'Calcium (II) ion, 1' 2 $CA . . . native . . . . . 5707 1 3 'Calcium (II) ion, 2' 2 $CA . . . native . . . . . 5707 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 ASP 19 19 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 2 coordination single . 1 . 1 ASN 21 21 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 3 coordination single . 1 . 1 ASP 23 23 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 4 coordination single . 1 . 1 LYS 25 25 O . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 5 coordination single . 1 . 1 GLU 30 30 OE1 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 6 coordination single . 1 . 1 GLU 30 30 OE2 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 7 coordination single . 1 . 1 ASP 54 54 OD1 . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 8 coordination single . 1 . 1 ASP 56 56 OD1 . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 9 coordination single . 1 . 1 ASP 58 58 OD1 . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 10 coordination single . 1 . 1 PHE 60 60 O . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 11 coordination single . 1 . 1 GLU 65 65 OE1 . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 12 coordination single . 1 . 1 GLU 65 65 OE2 . 3 . 2 CA 1 1 CA . . . . . . . . . . . . 5707 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Bet v 4' abbreviation 5707 1 'Bet v 4' system 5707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bet_v_4 _Entity.Sf_category entity _Entity.Sf_framecode Bet_v_4 _Entity.Entry_ID 5707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bet v 4' _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 ; ADDHPQDKAERERIFKRFDA NGDGKISAAELGEALKTLGS ITPDEVKHMMAEIDTDGDGF ISFQEFTDFGRANRGLLKDV AKIF ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9396 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'holo form with two Ca2+ ions' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 1H4B . 'Solution Structure Of The Birch Pollen Allergen Bet V 4' . . . . . 100.00 84 100.00 100.00 1.42e-40 . . . . 5707 1 . . EMBL CAA60628 . 'BETV4 protein [Betula pendula]' . . . . . 100.00 85 100.00 100.00 1.21e-40 . . . . 5707 1 . . EMBL CAA73147 . 'Bet v 4 [Betula pendula]' . . . . . 100.00 85 98.81 98.81 4.61e-40 . . . . 5707 1 . . SWISS-PROT Q39419 . 'Polcalcin Bet v 4 (Calcium-binding pollen allergen Bet v 4)' . . . . . 100.00 85 100.00 100.00 1.21e-40 . . . . 5707 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bet v 4' abbreviation 5707 1 'Bet v 4' common 5707 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 . ALA . 5707 1 2 . ASP . 5707 1 3 . ASP . 5707 1 4 . HIS . 5707 1 5 . PRO . 5707 1 6 . GLN . 5707 1 7 . ASP . 5707 1 8 . LYS . 5707 1 9 . ALA . 5707 1 10 . GLU . 5707 1 11 . ARG . 5707 1 12 . GLU . 5707 1 13 . ARG . 5707 1 14 . ILE . 5707 1 15 . PHE . 5707 1 16 . LYS . 5707 1 17 . ARG . 5707 1 18 . PHE . 5707 1 19 . ASP . 5707 1 20 . ALA . 5707 1 21 . ASN . 5707 1 22 . GLY . 5707 1 23 . ASP . 5707 1 24 . GLY . 5707 1 25 . LYS . 5707 1 26 . ILE . 5707 1 27 . SER . 5707 1 28 . ALA . 5707 1 29 . ALA . 5707 1 30 . GLU . 5707 1 31 . LEU . 5707 1 32 . GLY . 5707 1 33 . GLU . 5707 1 34 . ALA . 5707 1 35 . LEU . 5707 1 36 . LYS . 5707 1 37 . THR . 5707 1 38 . LEU . 5707 1 39 . GLY . 5707 1 40 . SER . 5707 1 41 . ILE . 5707 1 42 . THR . 5707 1 43 . PRO . 5707 1 44 . ASP . 5707 1 45 . GLU . 5707 1 46 . VAL . 5707 1 47 . LYS . 5707 1 48 . HIS . 5707 1 49 . MET . 5707 1 50 . MET . 5707 1 51 . ALA . 5707 1 52 . GLU . 5707 1 53 . ILE . 5707 1 54 . ASP . 5707 1 55 . THR . 5707 1 56 . ASP . 5707 1 57 . GLY . 5707 1 58 . ASP . 5707 1 59 . GLY . 5707 1 60 . PHE . 5707 1 61 . ILE . 5707 1 62 . SER . 5707 1 63 . PHE . 5707 1 64 . GLN . 5707 1 65 . GLU . 5707 1 66 . PHE . 5707 1 67 . THR . 5707 1 68 . ASP . 5707 1 69 . PHE . 5707 1 70 . GLY . 5707 1 71 . ARG . 5707 1 72 . ALA . 5707 1 73 . ASN . 5707 1 74 . ARG . 5707 1 75 . GLY . 5707 1 76 . LEU . 5707 1 77 . LEU . 5707 1 78 . LYS . 5707 1 79 . ASP . 5707 1 80 . VAL . 5707 1 81 . ALA . 5707 1 82 . LYS . 5707 1 83 . ILE . 5707 1 84 . PHE . 5707 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 . ALA 1 1 5707 1 . ASP 2 2 5707 1 . ASP 3 3 5707 1 . HIS 4 4 5707 1 . PRO 5 5 5707 1 . GLN 6 6 5707 1 . ASP 7 7 5707 1 . LYS 8 8 5707 1 . ALA 9 9 5707 1 . GLU 10 10 5707 1 . ARG 11 11 5707 1 . GLU 12 12 5707 1 . ARG 13 13 5707 1 . ILE 14 14 5707 1 . PHE 15 15 5707 1 . LYS 16 16 5707 1 . ARG 17 17 5707 1 . PHE 18 18 5707 1 . ASP 19 19 5707 1 . ALA 20 20 5707 1 . ASN 21 21 5707 1 . GLY 22 22 5707 1 . ASP 23 23 5707 1 . GLY 24 24 5707 1 . LYS 25 25 5707 1 . ILE 26 26 5707 1 . SER 27 27 5707 1 . ALA 28 28 5707 1 . ALA 29 29 5707 1 . GLU 30 30 5707 1 . LEU 31 31 5707 1 . GLY 32 32 5707 1 . GLU 33 33 5707 1 . ALA 34 34 5707 1 . LEU 35 35 5707 1 . LYS 36 36 5707 1 . THR 37 37 5707 1 . LEU 38 38 5707 1 . GLY 39 39 5707 1 . SER 40 40 5707 1 . ILE 41 41 5707 1 . THR 42 42 5707 1 . PRO 43 43 5707 1 . ASP 44 44 5707 1 . GLU 45 45 5707 1 . VAL 46 46 5707 1 . LYS 47 47 5707 1 . HIS 48 48 5707 1 . MET 49 49 5707 1 . MET 50 50 5707 1 . ALA 51 51 5707 1 . GLU 52 52 5707 1 . ILE 53 53 5707 1 . ASP 54 54 5707 1 . THR 55 55 5707 1 . ASP 56 56 5707 1 . GLY 57 57 5707 1 . ASP 58 58 5707 1 . GLY 59 59 5707 1 . PHE 60 60 5707 1 . ILE 61 61 5707 1 . SER 62 62 5707 1 . PHE 63 63 5707 1 . GLN 64 64 5707 1 . GLU 65 65 5707 1 . PHE 66 66 5707 1 . THR 67 67 5707 1 . ASP 68 68 5707 1 . PHE 69 69 5707 1 . GLY 70 70 5707 1 . ARG 71 71 5707 1 . ALA 72 72 5707 1 . ASN 73 73 5707 1 . ARG 74 74 5707 1 . GLY 75 75 5707 1 . LEU 76 76 5707 1 . LEU 77 77 5707 1 . LYS 78 78 5707 1 . ASP 79 79 5707 1 . VAL 80 80 5707 1 . ALA 81 81 5707 1 . LYS 82 82 5707 1 . ILE 83 83 5707 1 . PHE 84 84 5707 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5707 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 . CA . 5707 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 5707 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bet_v_4 . 3505 organism . 'Betula verrucosa' 'White birch' . . Eukaryota Viridiplantae Betula verrucosa . . . . . . . . . . . . . 5707 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 5707 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bet_v_4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21/DE3 . . plasmid . . pMW175 . . . 5707 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5707 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _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 CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 Fri Jun 10 15:27:54 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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5707 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5707 CA [Ca++] SMILES CACTVS 3.341 5707 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5707 CA [Ca+2] SMILES ACDLabs 10.04 5707 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5707 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5707 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5707 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5707 CA 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 CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5707 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5707 _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 'Bet v 4' '[U-98% 15N]' . . 1 $Bet_v_4 . . 1.5 . . mM . . . . 5707 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5707 _Sample.ID 2 _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 'Bet v 4' '[U-99% 13C; U-99% 15N]' . . 1 $Bet_v_4 . . 1.5 . . mM . . . . 5707 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5707 _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 6.0 0.2 n/a 5707 1 temperature 298 1 K 5707 1 stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 5707 _Software.ID 1 _Software.Type . _Software.Name NDEE _Software.Version . _Software.DOI . _Software.Details 'SpinUp Inc., Dortmund, Germany' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5707 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5707 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details 'Bruce A. Johnson, Merck and Co., Whitehouse Station, NJ' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5707 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5707 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5707 _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_1 Bruker DRX . 600 . . . 5707 1 2 NMR_spectrometer Bruker DMX . 750 . . . 5707 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 5707 _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 '2D TOCSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 2 '2D NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 3 '1H,15N HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 4 HNHA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 5 '3D 1H,15N-TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 6 '3D 1H,15N-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 7 '3D 1H,15N/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 8 '1H,13C CTHSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 9 HNCO . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 10 'long-range H(N)CO' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 11 HNCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 12 C(CO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 13 H(C)CH-COSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 14 (H)CCH-COSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 15 '3D 1H,13C-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 16 '3D 1H,13C/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5707 1 stop_ 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 5707 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5707 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5707 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5707 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5707 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _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 '2D TOCSY' . . . 5707 1 2 '2D NOESY' . . . 5707 1 3 '1H,15N HSQC' . . . 5707 1 4 HNHA . . . 5707 1 5 '3D 1H,15N-TOCSY-HSQC' . . . 5707 1 6 '3D 1H,15N-NOESY-HSQC' . . . 5707 1 7 '3D 1H,15N/1H,15N-HMQC-NOESY-HSQC' . . . 5707 1 8 '1H,13C CTHSQC' . . . 5707 1 9 HNCO . . . 5707 1 10 'long-range H(N)CO' . . . 5707 1 11 HNCA . . . 5707 1 12 C(CO)NH . . . 5707 1 13 H(C)CH-COSY . . . 5707 1 14 (H)CCH-COSY . . . 5707 1 15 '3D 1H,13C-NOESY-HSQC' . . . 5707 1 16 '3D 1H,13C/1H,15N-HMQC-NOESY-HSQC' . . . 5707 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.Ambiguity_set_ID _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 1 1 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . . 5707 1 2 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . . 5707 1 3 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . . 5707 1 4 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . . 5707 1 5 . 1 1 1 1 ALA C C 13 173.60 0.20 . 1 . . . . . . . . . 5707 1 6 . 1 1 1 1 ALA CA C 13 52.05 0.20 . 1 . . . . . . . . . 5707 1 7 . 1 1 1 1 ALA CB C 13 19.55 0.20 . 1 . . . . . . . . . 5707 1 8 . 1 1 2 2 ASP H H 1 8.67 0.02 . 1 . . . . . . . . . 5707 1 9 . 1 1 2 2 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . . 5707 1 10 . 1 1 2 2 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . . 5707 1 11 . 1 1 2 2 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . . 5707 1 12 . 1 1 2 2 ASP C C 13 175.40 0.20 . 1 . . . . . . . . . 5707 1 13 . 1 1 2 2 ASP CA C 13 54.14 0.20 . 1 . . . . . . . . . 5707 1 14 . 1 1 2 2 ASP CB C 13 41.08 0.20 . 1 . . . . . . . . . 5707 1 15 . 1 1 2 2 ASP CG C 13 179.92 0.20 . 1 . . . . . . . . . 5707 1 16 . 1 1 2 2 ASP N N 15 120.56 0.20 . 1 . . . . . . . . . 5707 1 17 . 1 1 3 3 ASP H H 1 8.38 0.02 . 1 . . . . . . . . . 5707 1 18 . 1 1 3 3 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . . 5707 1 19 . 1 1 3 3 ASP HB2 H 1 2.60 0.02 . 1 . . . . . . . . . 5707 1 20 . 1 1 3 3 ASP HB3 H 1 2.60 0.02 . 1 . . . . . . . . . 5707 1 21 . 1 1 3 3 ASP C C 13 175.68 0.20 . 1 . . . . . . . . . 5707 1 22 . 1 1 3 3 ASP CA C 13 54.10 0.20 . 1 . . . . . . . . . 5707 1 23 . 1 1 3 3 ASP CB C 13 41.21 0.20 . 1 . . . . . . . . . 5707 1 24 . 1 1 3 3 ASP CG C 13 179.71 0.20 . 1 . . . . . . . . . 5707 1 25 . 1 1 3 3 ASP N N 15 120.82 0.20 . 1 . . . . . . . . . 5707 1 26 . 1 1 4 4 HIS H H 1 8.62 0.02 . 1 . . . . . . . . . 5707 1 27 . 1 1 4 4 HIS HA H 1 4.98 0.02 . 1 . . . . . . . . . 5707 1 28 . 1 1 4 4 HIS HB2 H 1 3.34 0.02 . 2 . . . . . . . . . 5707 1 29 . 1 1 4 4 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . . 5707 1 30 . 1 1 4 4 HIS HD2 H 1 7.19 0.02 . 1 . . . . . . . . . 5707 1 31 . 1 1 4 4 HIS HE1 H 1 8.02 0.02 . 1 . . . . . . . . . 5707 1 32 . 1 1 4 4 HIS CA C 13 54.01 0.20 . 1 . . . . . . . . . 5707 1 33 . 1 1 4 4 HIS CB C 13 28.36 0.20 . 1 . . . . . . . . . 5707 1 34 . 1 1 4 4 HIS N N 15 119.03 0.20 . 1 . . . . . . . . . 5707 1 35 . 1 1 5 5 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . . 5707 1 36 . 1 1 5 5 PRO HB2 H 1 2.36 0.02 . 2 . . . . . . . . . 5707 1 37 . 1 1 5 5 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . . 5707 1 38 . 1 1 5 5 PRO HG2 H 1 2.07 0.02 . 1 . . . . . . . . . 5707 1 39 . 1 1 5 5 PRO HG3 H 1 2.07 0.02 . 1 . . . . . . . . . 5707 1 40 . 1 1 5 5 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . . 5707 1 41 . 1 1 5 5 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . . 5707 1 42 . 1 1 5 5 PRO C C 13 178.11 0.20 . 1 . . . . . . . . . 5707 1 43 . 1 1 5 5 PRO CA C 13 64.64 0.20 . 1 . . . . . . . . . 5707 1 44 . 1 1 5 5 PRO CB C 13 32.20 0.20 . 1 . . . . . . . . . 5707 1 45 . 1 1 5 5 PRO CG C 13 27.61 0.20 . 1 . . . . . . . . . 5707 1 46 . 1 1 5 5 PRO CD C 13 50.78 0.20 . 1 . . . . . . . . . 5707 1 47 . 1 1 6 6 GLN H H 1 8.93 0.02 . 1 . . . . . . . . . 5707 1 48 . 1 1 6 6 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . . 5707 1 49 . 1 1 6 6 GLN HB2 H 1 2.13 0.02 . 2 . . . . . . . . . 5707 1 50 . 1 1 6 6 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . . 5707 1 51 . 1 1 6 6 GLN HG2 H 1 2.45 0.02 . 1 . . . . . . . . . 5707 1 52 . 1 1 6 6 GLN HG3 H 1 2.45 0.02 . 1 . . . . . . . . . 5707 1 53 . 1 1 6 6 GLN HE21 H 1 7.63 0.02 . 2 . . . . . . . . . 5707 1 54 . 1 1 6 6 GLN HE22 H 1 6.85 0.02 . 2 . . . . . . . . . 5707 1 55 . 1 1 6 6 GLN C C 13 176.89 0.20 . 1 . . . . . . . . . 5707 1 56 . 1 1 6 6 GLN CA C 13 57.34 0.20 . 1 . . . . . . . . . 5707 1 57 . 1 1 6 6 GLN CB C 13 28.81 0.20 . 1 . . . . . . . . . 5707 1 58 . 1 1 6 6 GLN CG C 13 33.92 0.20 . 1 . . . . . . . . . 5707 1 59 . 1 1 6 6 GLN CD C 13 180.64 0.20 . 1 . . . . . . . . . 5707 1 60 . 1 1 6 6 GLN N N 15 119.72 0.20 . 1 . . . . . . . . . 5707 1 61 . 1 1 6 6 GLN NE2 N 15 112.33 0.20 . 1 . . . . . . . . . 5707 1 62 . 1 1 7 7 ASP H H 1 8.09 0.02 . 1 . . . . . . . . . 5707 1 63 . 1 1 7 7 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . . 5707 1 64 . 1 1 7 7 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . . 5707 1 65 . 1 1 7 7 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . . 5707 1 66 . 1 1 7 7 ASP C C 13 177.37 0.20 . 1 . . . . . . . . . 5707 1 67 . 1 1 7 7 ASP CA C 13 55.39 0.20 . 1 . . . . . . . . . 5707 1 68 . 1 1 7 7 ASP CB C 13 41.07 0.20 . 1 . . . . . . . . . 5707 1 69 . 1 1 7 7 ASP CG C 13 179.61 0.20 . 1 . . . . . . . . . 5707 1 70 . 1 1 7 7 ASP N N 15 121.41 0.20 . 1 . . . . . . . . . 5707 1 71 . 1 1 8 8 LYS H H 1 8.12 0.02 . 1 . . . . . . . . . 5707 1 72 . 1 1 8 8 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . . 5707 1 73 . 1 1 8 8 LYS HB2 H 1 1.93 0.02 . 1 . . . . . . . . . 5707 1 74 . 1 1 8 8 LYS HB3 H 1 1.93 0.02 . 1 . . . . . . . . . 5707 1 75 . 1 1 8 8 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . . 5707 1 76 . 1 1 8 8 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . . 5707 1 77 . 1 1 8 8 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . . 5707 1 78 . 1 1 8 8 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . . 5707 1 79 . 1 1 8 8 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . . 5707 1 80 . 1 1 8 8 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . . 5707 1 81 . 1 1 8 8 LYS C C 13 178.02 0.20 . 1 . . . . . . . . . 5707 1 82 . 1 1 8 8 LYS CA C 13 60.14 0.20 . 1 . . . . . . . . . 5707 1 83 . 1 1 8 8 LYS CB C 13 32.82 0.20 . 1 . . . . . . . . . 5707 1 84 . 1 1 8 8 LYS CG C 13 25.17 0.20 . 1 . . . . . . . . . 5707 1 85 . 1 1 8 8 LYS CD C 13 29.69 0.20 . 1 . . . . . . . . . 5707 1 86 . 1 1 8 8 LYS CE C 13 42.29 0.20 . 1 . . . . . . . . . 5707 1 87 . 1 1 8 8 LYS N N 15 121.70 0.20 . 1 . . . . . . . . . 5707 1 88 . 1 1 9 9 ALA H H 1 8.18 0.02 . 1 . . . . . . . . . 5707 1 89 . 1 1 9 9 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . . 5707 1 90 . 1 1 9 9 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . . 5707 1 91 . 1 1 9 9 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . . 5707 1 92 . 1 1 9 9 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . . 5707 1 93 . 1 1 9 9 ALA C C 13 180.66 0.20 . 1 . . . . . . . . . 5707 1 94 . 1 1 9 9 ALA CA C 13 54.96 0.20 . 1 . . . . . . . . . 5707 1 95 . 1 1 9 9 ALA CB C 13 18.10 0.20 . 1 . . . . . . . . . 5707 1 96 . 1 1 9 9 ALA N N 15 121.13 0.20 . 1 . . . . . . . . . 5707 1 97 . 1 1 10 10 GLU H H 1 8.08 0.02 . 1 . . . . . . . . . 5707 1 98 . 1 1 10 10 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . . 5707 1 99 . 1 1 10 10 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . . 5707 1 100 . 1 1 10 10 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . . 5707 1 101 . 1 1 10 10 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . . 5707 1 102 . 1 1 10 10 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . . 5707 1 103 . 1 1 10 10 GLU C C 13 178.58 0.20 . 1 . . . . . . . . . 5707 1 104 . 1 1 10 10 GLU CA C 13 59.10 0.20 . 1 . . . . . . . . . 5707 1 105 . 1 1 10 10 GLU CB C 13 29.52 0.20 . 1 . . . . . . . . . 5707 1 106 . 1 1 10 10 GLU CG C 13 35.29 0.20 . 1 . . . . . . . . . 5707 1 107 . 1 1 10 10 GLU N N 15 119.71 0.20 . 1 . . . . . . . . . 5707 1 108 . 1 1 11 11 ARG H H 1 8.23 0.02 . 1 . . . . . . . . . 5707 1 109 . 1 1 11 11 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . . 5707 1 110 . 1 1 11 11 ARG HB2 H 1 2.25 0.02 . 2 . . . . . . . . . 5707 1 111 . 1 1 11 11 ARG HB3 H 1 1.97 0.02 . 2 . . . . . . . . . 5707 1 112 . 1 1 11 11 ARG HG2 H 1 1.97 0.02 . 2 . . . . . . . . . 5707 1 113 . 1 1 11 11 ARG HG3 H 1 1.64 0.02 . 2 . . . . . . . . . 5707 1 114 . 1 1 11 11 ARG HD2 H 1 3.25 0.02 . 2 . . . . . . . . . 5707 1 115 . 1 1 11 11 ARG HD3 H 1 3.05 0.02 . 2 . . . . . . . . . 5707 1 116 . 1 1 11 11 ARG HE H 1 7.41 0.02 . 1 . . . . . . . . . 5707 1 117 . 1 1 11 11 ARG C C 13 179.00 0.20 . 1 . . . . . . . . . 5707 1 118 . 1 1 11 11 ARG CA C 13 60.51 0.20 . 1 . . . . . . . . . 5707 1 119 . 1 1 11 11 ARG CB C 13 30.80 0.20 . 1 . . . . . . . . . 5707 1 120 . 1 1 11 11 ARG CG C 13 29.23 0.20 . 1 . . . . . . . . . 5707 1 121 . 1 1 11 11 ARG CD C 13 44.03 0.20 . 1 . . . . . . . . . 5707 1 122 . 1 1 11 11 ARG CZ C 13 159.70 0.20 . 1 . . . . . . . . . 5707 1 123 . 1 1 11 11 ARG N N 15 118.33 0.20 . 1 . . . . . . . . . 5707 1 124 . 1 1 11 11 ARG NE N 15 83.83 0.20 . 1 . . . . . . . . . 5707 1 125 . 1 1 12 12 GLU H H 1 8.50 0.02 . 1 . . . . . . . . . 5707 1 126 . 1 1 12 12 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . . 5707 1 127 . 1 1 12 12 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . . 5707 1 128 . 1 1 12 12 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . . 5707 1 129 . 1 1 12 12 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . . 5707 1 130 . 1 1 12 12 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . . 5707 1 131 . 1 1 12 12 GLU C C 13 178.09 0.20 . 1 . . . . . . . . . 5707 1 132 . 1 1 12 12 GLU CA C 13 59.95 0.20 . 1 . . . . . . . . . 5707 1 133 . 1 1 12 12 GLU CB C 13 29.20 0.20 . 1 . . . . . . . . . 5707 1 134 . 1 1 12 12 GLU CG C 13 35.83 0.20 . 1 . . . . . . . . . 5707 1 135 . 1 1 12 12 GLU N N 15 118.45 0.20 . 1 . . . . . . . . . 5707 1 136 . 1 1 13 13 ARG H H 1 7.94 0.02 . 1 . . . . . . . . . 5707 1 137 . 1 1 13 13 ARG HA H 1 4.01 0.02 . 1 . . . . . . . . . 5707 1 138 . 1 1 13 13 ARG HB2 H 1 2.05 0.02 . 1 . . . . . . . . . 5707 1 139 . 1 1 13 13 ARG HB3 H 1 2.05 0.02 . 1 . . . . . . . . . 5707 1 140 . 1 1 13 13 ARG HG2 H 1 1.80 0.02 . 2 . . . . . . . . . 5707 1 141 . 1 1 13 13 ARG HG3 H 1 1.54 0.02 . 2 . . . . . . . . . 5707 1 142 . 1 1 13 13 ARG HD2 H 1 3.29 0.02 . 2 . . . . . . . . . 5707 1 143 . 1 1 13 13 ARG HD3 H 1 3.22 0.02 . 2 . . . . . . . . . 5707 1 144 . 1 1 13 13 ARG HE H 1 7.89 0.02 . 1 . . . . . . . . . 5707 1 145 . 1 1 13 13 ARG HH11 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 146 . 1 1 13 13 ARG HH12 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 147 . 1 1 13 13 ARG HH21 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 148 . 1 1 13 13 ARG HH22 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 149 . 1 1 13 13 ARG C C 13 179.48 0.20 . 1 . . . . . . . . . 5707 1 150 . 1 1 13 13 ARG CA C 13 59.93 0.20 . 1 . . . . . . . . . 5707 1 151 . 1 1 13 13 ARG CB C 13 30.60 0.20 . 1 . . . . . . . . . 5707 1 152 . 1 1 13 13 ARG CG C 13 27.92 0.20 . 1 . . . . . . . . . 5707 1 153 . 1 1 13 13 ARG CD C 13 43.56 0.20 . 1 . . . . . . . . . 5707 1 154 . 1 1 13 13 ARG CZ C 13 160.00 0.20 . 1 . . . . . . . . . 5707 1 155 . 1 1 13 13 ARG N N 15 119.63 0.20 . 1 . . . . . . . . . 5707 1 156 . 1 1 13 13 ARG NE N 15 84.32 0.20 . 1 . . . . . . . . . 5707 1 157 . 1 1 13 13 ARG NH1 N 15 71.62 0.20 . 1 . . . . . . . . . 5707 1 158 . 1 1 13 13 ARG NH2 N 15 71.62 0.20 . 1 . . . . . . . . . 5707 1 159 . 1 1 14 14 ILE H H 1 8.15 0.02 . 1 . . . . . . . . . 5707 1 160 . 1 1 14 14 ILE HA H 1 3.61 0.02 . 1 . . . . . . . . . 5707 1 161 . 1 1 14 14 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . . 5707 1 162 . 1 1 14 14 ILE HG12 H 1 1.90 0.02 . 2 . . . . . . . . . 5707 1 163 . 1 1 14 14 ILE HG13 H 1 1.19 0.02 . 2 . . . . . . . . . 5707 1 164 . 1 1 14 14 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 165 . 1 1 14 14 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 166 . 1 1 14 14 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 167 . 1 1 14 14 ILE HD11 H 1 0.95 0.02 . 1 . . . . . . . . . 5707 1 168 . 1 1 14 14 ILE HD12 H 1 0.95 0.02 . 1 . . . . . . . . . 5707 1 169 . 1 1 14 14 ILE HD13 H 1 0.95 0.02 . 1 . . . . . . . . . 5707 1 170 . 1 1 14 14 ILE C C 13 177.19 0.20 . 1 . . . . . . . . . 5707 1 171 . 1 1 14 14 ILE CA C 13 65.01 0.20 . 1 . . . . . . . . . 5707 1 172 . 1 1 14 14 ILE CB C 13 38.38 0.20 . 1 . . . . . . . . . 5707 1 173 . 1 1 14 14 ILE CG1 C 13 29.07 0.20 . 1 . . . . . . . . . 5707 1 174 . 1 1 14 14 ILE CG2 C 13 18.75 0.20 . 1 . . . . . . . . . 5707 1 175 . 1 1 14 14 ILE CD1 C 13 13.91 0.20 . 1 . . . . . . . . . 5707 1 176 . 1 1 14 14 ILE N N 15 119.46 0.20 . 1 . . . . . . . . . 5707 1 177 . 1 1 15 15 PHE H H 1 8.40 0.02 . 1 . . . . . . . . . 5707 1 178 . 1 1 15 15 PHE HA H 1 3.21 0.02 . 1 . . . . . . . . . 5707 1 179 . 1 1 15 15 PHE HB2 H 1 3.16 0.02 . 2 . . . . . . . . . 5707 1 180 . 1 1 15 15 PHE HB3 H 1 2.87 0.02 . 2 . . . . . . . . . 5707 1 181 . 1 1 15 15 PHE HD1 H 1 6.63 0.02 . 1 . . . . . . . . . 5707 1 182 . 1 1 15 15 PHE HD2 H 1 6.63 0.02 . 1 . . . . . . . . . 5707 1 183 . 1 1 15 15 PHE HE1 H 1 7.02 0.02 . 1 . . . . . . . . . 5707 1 184 . 1 1 15 15 PHE HE2 H 1 7.02 0.02 . 1 . . . . . . . . . 5707 1 185 . 1 1 15 15 PHE HZ H 1 7.38 0.02 . 1 . . . . . . . . . 5707 1 186 . 1 1 15 15 PHE C C 13 177.04 0.20 . 1 . . . . . . . . . 5707 1 187 . 1 1 15 15 PHE CA C 13 62.69 0.20 . 1 . . . . . . . . . 5707 1 188 . 1 1 15 15 PHE CB C 13 39.80 0.20 . 1 . . . . . . . . . 5707 1 189 . 1 1 15 15 PHE N N 15 120.66 0.20 . 1 . . . . . . . . . 5707 1 190 . 1 1 16 16 LYS H H 1 8.14 0.02 . 1 . . . . . . . . . 5707 1 191 . 1 1 16 16 LYS HA H 1 3.97 0.02 . 1 . . . . . . . . . 5707 1 192 . 1 1 16 16 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . . 5707 1 193 . 1 1 16 16 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . . 5707 1 194 . 1 1 16 16 LYS HG2 H 1 1.79 0.02 . 2 . . . . . . . . . 5707 1 195 . 1 1 16 16 LYS HG3 H 1 1.58 0.02 . 2 . . . . . . . . . 5707 1 196 . 1 1 16 16 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . . 5707 1 197 . 1 1 16 16 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . . 5707 1 198 . 1 1 16 16 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 199 . 1 1 16 16 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 200 . 1 1 16 16 LYS C C 13 178.50 0.20 . 1 . . . . . . . . . 5707 1 201 . 1 1 16 16 LYS CA C 13 59.54 0.20 . 1 . . . . . . . . . 5707 1 202 . 1 1 16 16 LYS CB C 13 32.81 0.20 . 1 . . . . . . . . . 5707 1 203 . 1 1 16 16 LYS CG C 13 26.12 0.20 . 1 . . . . . . . . . 5707 1 204 . 1 1 16 16 LYS CD C 13 29.57 0.20 . 1 . . . . . . . . . 5707 1 205 . 1 1 16 16 LYS CE C 13 42.28 0.20 . 1 . . . . . . . . . 5707 1 206 . 1 1 16 16 LYS N N 15 115.34 0.20 . 1 . . . . . . . . . 5707 1 207 . 1 1 17 17 ARG H H 1 7.45 0.02 . 1 . . . . . . . . . 5707 1 208 . 1 1 17 17 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . . 5707 1 209 . 1 1 17 17 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . . 5707 1 210 . 1 1 17 17 ARG HB3 H 1 1.83 0.02 . 2 . . . . . . . . . 5707 1 211 . 1 1 17 17 ARG HG2 H 1 1.55 0.02 . 2 . . . . . . . . . 5707 1 212 . 1 1 17 17 ARG HG3 H 1 1.49 0.02 . 2 . . . . . . . . . 5707 1 213 . 1 1 17 17 ARG HD2 H 1 3.17 0.02 . 2 . . . . . . . . . 5707 1 214 . 1 1 17 17 ARG HD3 H 1 3.07 0.02 . 2 . . . . . . . . . 5707 1 215 . 1 1 17 17 ARG HE H 1 7.30 0.02 . 1 . . . . . . . . . 5707 1 216 . 1 1 17 17 ARG C C 13 178.29 0.20 . 1 . . . . . . . . . 5707 1 217 . 1 1 17 17 ARG CA C 13 57.75 0.20 . 1 . . . . . . . . . 5707 1 218 . 1 1 17 17 ARG CB C 13 29.32 0.20 . 1 . . . . . . . . . 5707 1 219 . 1 1 17 17 ARG CG C 13 27.06 0.20 . 1 . . . . . . . . . 5707 1 220 . 1 1 17 17 ARG CD C 13 42.88 0.20 . 1 . . . . . . . . . 5707 1 221 . 1 1 17 17 ARG CZ C 13 159.66 0.20 . 1 . . . . . . . . . 5707 1 222 . 1 1 17 17 ARG N N 15 117.53 0.20 . 1 . . . . . . . . . 5707 1 223 . 1 1 17 17 ARG NE N 15 84.28 0.20 . 1 . . . . . . . . . 5707 1 224 . 1 1 18 18 PHE H H 1 7.81 0.02 . 1 . . . . . . . . . 5707 1 225 . 1 1 18 18 PHE HA H 1 4.23 0.02 . 1 . . . . . . . . . 5707 1 226 . 1 1 18 18 PHE HB2 H 1 2.85 0.02 . 2 . . . . . . . . . 5707 1 227 . 1 1 18 18 PHE HB3 H 1 2.60 0.02 . 2 . . . . . . . . . 5707 1 228 . 1 1 18 18 PHE HD1 H 1 7.02 0.02 . 1 . . . . . . . . . 5707 1 229 . 1 1 18 18 PHE HD2 H 1 7.02 0.02 . 1 . . . . . . . . . 5707 1 230 . 1 1 18 18 PHE HE1 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 231 . 1 1 18 18 PHE HE2 H 1 6.96 0.02 . 1 . . . . . . . . . 5707 1 232 . 1 1 18 18 PHE C C 13 177.52 0.20 . 1 . . . . . . . . . 5707 1 233 . 1 1 18 18 PHE CA C 13 58.78 0.20 . 1 . . . . . . . . . 5707 1 234 . 1 1 18 18 PHE CB C 13 39.53 0.20 . 1 . . . . . . . . . 5707 1 235 . 1 1 18 18 PHE N N 15 117.62 0.20 . 1 . . . . . . . . . 5707 1 236 . 1 1 19 19 ASP H H 1 7.78 0.02 . 1 . . . . . . . . . 5707 1 237 . 1 1 19 19 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . . 5707 1 238 . 1 1 19 19 ASP HB2 H 1 2.60 0.02 . 2 . . . . . . . . . 5707 1 239 . 1 1 19 19 ASP HB3 H 1 1.63 0.02 . 2 . . . . . . . . . 5707 1 240 . 1 1 19 19 ASP C C 13 176.38 0.20 . 1 . . . . . . . . . 5707 1 241 . 1 1 19 19 ASP CA C 13 52.56 0.20 . 1 . . . . . . . . . 5707 1 242 . 1 1 19 19 ASP CB C 13 38.56 0.20 . 1 . . . . . . . . . 5707 1 243 . 1 1 19 19 ASP CG C 13 179.05 0.20 . 1 . . . . . . . . . 5707 1 244 . 1 1 19 19 ASP N N 15 118.61 0.20 . 1 . . . . . . . . . 5707 1 245 . 1 1 20 20 ALA H H 1 7.47 0.02 . 1 . . . . . . . . . 5707 1 246 . 1 1 20 20 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . . 5707 1 247 . 1 1 20 20 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . . 5707 1 248 . 1 1 20 20 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . . 5707 1 249 . 1 1 20 20 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . . 5707 1 250 . 1 1 20 20 ALA C C 13 178.97 0.20 . 1 . . . . . . . . . 5707 1 251 . 1 1 20 20 ALA CA C 13 55.27 0.20 . 1 . . . . . . . . . 5707 1 252 . 1 1 20 20 ALA CB C 13 19.71 0.20 . 1 . . . . . . . . . 5707 1 253 . 1 1 20 20 ALA N N 15 128.97 0.20 . 1 . . . . . . . . . 5707 1 254 . 1 1 21 21 ASN H H 1 8.08 0.02 . 1 . . . . . . . . . 5707 1 255 . 1 1 21 21 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . . 5707 1 256 . 1 1 21 21 ASN HB2 H 1 3.36 0.02 . 2 . . . . . . . . . 5707 1 257 . 1 1 21 21 ASN HB3 H 1 2.92 0.02 . 2 . . . . . . . . . 5707 1 258 . 1 1 21 21 ASN HD21 H 1 8.05 0.02 . 2 . . . . . . . . . 5707 1 259 . 1 1 21 21 ASN HD22 H 1 6.55 0.02 . 2 . . . . . . . . . 5707 1 260 . 1 1 21 21 ASN C C 13 176.92 0.20 . 1 . . . . . . . . . 5707 1 261 . 1 1 21 21 ASN CA C 13 51.69 0.20 . 1 . . . . . . . . . 5707 1 262 . 1 1 21 21 ASN CB C 13 37.38 0.20 . 1 . . . . . . . . . 5707 1 263 . 1 1 21 21 ASN CG C 13 178.49 0.20 . 1 . . . . . . . . . 5707 1 264 . 1 1 21 21 ASN N N 15 111.43 0.20 . 1 . . . . . . . . . 5707 1 265 . 1 1 21 21 ASN ND2 N 15 112.82 0.20 . 1 . . . . . . . . . 5707 1 266 . 1 1 22 22 GLY H H 1 7.74 0.02 . 1 . . . . . . . . . 5707 1 267 . 1 1 22 22 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . . 5707 1 268 . 1 1 22 22 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . . 5707 1 269 . 1 1 22 22 GLY C C 13 174.99 0.20 . 1 . . . . . . . . . 5707 1 270 . 1 1 22 22 GLY CA C 13 47.56 0.20 . 1 . . . . . . . . . 5707 1 271 . 1 1 22 22 GLY N N 15 109.54 0.20 . 1 . . . . . . . . . 5707 1 272 . 1 1 23 23 ASP H H 1 8.05 0.02 . 1 . . . . . . . . . 5707 1 273 . 1 1 23 23 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . . 5707 1 274 . 1 1 23 23 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . . 5707 1 275 . 1 1 23 23 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . . 5707 1 276 . 1 1 23 23 ASP C C 13 177.64 0.20 . 1 . . . . . . . . . 5707 1 277 . 1 1 23 23 ASP CA C 13 53.53 0.20 . 1 . . . . . . . . . 5707 1 278 . 1 1 23 23 ASP CB C 13 40.38 0.20 . 1 . . . . . . . . . 5707 1 279 . 1 1 23 23 ASP N N 15 119.25 0.20 . 1 . . . . . . . . . 5707 1 280 . 1 1 24 24 GLY H H 1 10.53 0.02 . 1 . . . . . . . . . 5707 1 281 . 1 1 24 24 GLY HA2 H 1 4.27 0.02 . 2 . . . . . . . . . 5707 1 282 . 1 1 24 24 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . . 5707 1 283 . 1 1 24 24 GLY C C 13 172.94 0.20 . 1 . . . . . . . . . 5707 1 284 . 1 1 24 24 GLY CA C 13 45.78 0.20 . 1 . . . . . . . . . 5707 1 285 . 1 1 24 24 GLY N N 15 112.74 0.20 . 1 . . . . . . . . . 5707 1 286 . 1 1 25 25 LYS H H 1 7.93 0.02 . 1 . . . . . . . . . 5707 1 287 . 1 1 25 25 LYS HA H 1 5.20 0.02 . 1 . . . . . . . . . 5707 1 288 . 1 1 25 25 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . . 5707 1 289 . 1 1 25 25 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . . 5707 1 290 . 1 1 25 25 LYS HG2 H 1 1.13 0.02 . 2 . . . . . . . . . 5707 1 291 . 1 1 25 25 LYS HG3 H 1 0.96 0.02 . 2 . . . . . . . . . 5707 1 292 . 1 1 25 25 LYS HD2 H 1 1.09 0.02 . 2 . . . . . . . . . 5707 1 293 . 1 1 25 25 LYS HD3 H 1 0.77 0.02 . 2 . . . . . . . . . 5707 1 294 . 1 1 25 25 LYS HE2 H 1 2.29 0.02 . 2 . . . . . . . . . 5707 1 295 . 1 1 25 25 LYS HE3 H 1 1.96 0.02 . 2 . . . . . . . . . 5707 1 296 . 1 1 25 25 LYS C C 13 174.80 0.20 . 1 . . . . . . . . . 5707 1 297 . 1 1 25 25 LYS CA C 13 54.28 0.20 . 1 . . . . . . . . . 5707 1 298 . 1 1 25 25 LYS CB C 13 36.29 0.20 . 1 . . . . . . . . . 5707 1 299 . 1 1 25 25 LYS CG C 13 23.67 0.20 . 1 . . . . . . . . . 5707 1 300 . 1 1 25 25 LYS CD C 13 29.23 0.20 . 1 . . . . . . . . . 5707 1 301 . 1 1 25 25 LYS CE C 13 41.85 0.20 . 1 . . . . . . . . . 5707 1 302 . 1 1 25 25 LYS N N 15 117.30 0.20 . 1 . . . . . . . . . 5707 1 303 . 1 1 26 26 ILE H H 1 9.63 0.02 . 1 . . . . . . . . . 5707 1 304 . 1 1 26 26 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . . 5707 1 305 . 1 1 26 26 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . . 5707 1 306 . 1 1 26 26 ILE HG12 H 1 0.97 0.02 . 2 . . . . . . . . . 5707 1 307 . 1 1 26 26 ILE HG13 H 1 0.23 0.02 . 2 . . . . . . . . . 5707 1 308 . 1 1 26 26 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . . 5707 1 309 . 1 1 26 26 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . . 5707 1 310 . 1 1 26 26 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . . 5707 1 311 . 1 1 26 26 ILE HD11 H 1 0.21 0.02 . 1 . . . . . . . . . 5707 1 312 . 1 1 26 26 ILE HD12 H 1 0.21 0.02 . 1 . . . . . . . . . 5707 1 313 . 1 1 26 26 ILE HD13 H 1 0.21 0.02 . 1 . . . . . . . . . 5707 1 314 . 1 1 26 26 ILE C C 13 176.33 0.20 . 1 . . . . . . . . . 5707 1 315 . 1 1 26 26 ILE CA C 13 60.04 0.20 . 1 . . . . . . . . . 5707 1 316 . 1 1 26 26 ILE CB C 13 39.36 0.20 . 1 . . . . . . . . . 5707 1 317 . 1 1 26 26 ILE CG1 C 13 27.03 0.20 . 1 . . . . . . . . . 5707 1 318 . 1 1 26 26 ILE CG2 C 13 18.11 0.20 . 1 . . . . . . . . . 5707 1 319 . 1 1 26 26 ILE CD1 C 13 14.86 0.20 . 1 . . . . . . . . . 5707 1 320 . 1 1 26 26 ILE N N 15 125.71 0.20 . 1 . . . . . . . . . 5707 1 321 . 1 1 27 27 SER H H 1 9.47 0.02 . 1 . . . . . . . . . 5707 1 322 . 1 1 27 27 SER HA H 1 4.79 0.02 . 1 . . . . . . . . . 5707 1 323 . 1 1 27 27 SER HB2 H 1 4.45 0.02 . 2 . . . . . . . . . 5707 1 324 . 1 1 27 27 SER HB3 H 1 4.18 0.02 . 2 . . . . . . . . . 5707 1 325 . 1 1 27 27 SER HG H 1 5.88 0.02 . 1 . . . . . . . . . 5707 1 326 . 1 1 27 27 SER C C 13 174.37 0.20 . 1 . . . . . . . . . 5707 1 327 . 1 1 27 27 SER CA C 13 56.42 0.20 . 1 . . . . . . . . . 5707 1 328 . 1 1 27 27 SER CB C 13 66.38 0.20 . 1 . . . . . . . . . 5707 1 329 . 1 1 27 27 SER N N 15 125.28 0.20 . 1 . . . . . . . . . 5707 1 330 . 1 1 28 28 ALA H H 1 8.83 0.02 . 1 . . . . . . . . . 5707 1 331 . 1 1 28 28 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . . 5707 1 332 . 1 1 28 28 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . . 5707 1 333 . 1 1 28 28 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . . 5707 1 334 . 1 1 28 28 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . . 5707 1 335 . 1 1 28 28 ALA C C 13 180.78 0.20 . 1 . . . . . . . . . 5707 1 336 . 1 1 28 28 ALA CA C 13 56.14 0.20 . 1 . . . . . . . . . 5707 1 337 . 1 1 28 28 ALA CB C 13 17.94 0.20 . 1 . . . . . . . . . 5707 1 338 . 1 1 28 28 ALA N N 15 123.49 0.20 . 1 . . . . . . . . . 5707 1 339 . 1 1 29 29 ALA H H 1 8.35 0.02 . 1 . . . . . . . . . 5707 1 340 . 1 1 29 29 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . . 5707 1 341 . 1 1 29 29 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . . 5707 1 342 . 1 1 29 29 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . . 5707 1 343 . 1 1 29 29 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . . 5707 1 344 . 1 1 29 29 ALA C C 13 181.12 0.20 . 1 . . . . . . . . . 5707 1 345 . 1 1 29 29 ALA CA C 13 54.98 0.20 . 1 . . . . . . . . . 5707 1 346 . 1 1 29 29 ALA CB C 13 18.26 0.20 . 1 . . . . . . . . . 5707 1 347 . 1 1 29 29 ALA N N 15 120.72 0.20 . 1 . . . . . . . . . 5707 1 348 . 1 1 30 30 GLU H H 1 7.83 0.02 . 1 . . . . . . . . . 5707 1 349 . 1 1 30 30 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . . 5707 1 350 . 1 1 30 30 GLU HB2 H 1 2.56 0.02 . 2 . . . . . . . . . 5707 1 351 . 1 1 30 30 GLU HB3 H 1 2.46 0.02 . 2 . . . . . . . . . 5707 1 352 . 1 1 30 30 GLU HG2 H 1 2.62 0.02 . 2 . . . . . . . . . 5707 1 353 . 1 1 30 30 GLU HG3 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 354 . 1 1 30 30 GLU C C 13 180.34 0.20 . 1 . . . . . . . . . 5707 1 355 . 1 1 30 30 GLU CA C 13 58.69 0.20 . 1 . . . . . . . . . 5707 1 356 . 1 1 30 30 GLU CB C 13 29.48 0.20 . 1 . . . . . . . . . 5707 1 357 . 1 1 30 30 GLU CG C 13 37.37 0.20 . 1 . . . . . . . . . 5707 1 358 . 1 1 30 30 GLU N N 15 119.35 0.20 . 1 . . . . . . . . . 5707 1 359 . 1 1 31 31 LEU H H 1 8.78 0.02 . 1 . . . . . . . . . 5707 1 360 . 1 1 31 31 LEU HA H 1 3.89 0.02 . 1 . . . . . . . . . 5707 1 361 . 1 1 31 31 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . . 5707 1 362 . 1 1 31 31 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . . 5707 1 363 . 1 1 31 31 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . . 5707 1 364 . 1 1 31 31 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . . 5707 1 365 . 1 1 31 31 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . . 5707 1 366 . 1 1 31 31 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . . 5707 1 367 . 1 1 31 31 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . . 5707 1 368 . 1 1 31 31 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . . 5707 1 369 . 1 1 31 31 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . . 5707 1 370 . 1 1 31 31 LEU C C 13 178.51 0.20 . 1 . . . . . . . . . 5707 1 371 . 1 1 31 31 LEU CA C 13 58.35 0.20 . 1 . . . . . . . . . 5707 1 372 . 1 1 31 31 LEU CB C 13 41.63 0.20 . 1 . . . . . . . . . 5707 1 373 . 1 1 31 31 LEU CG C 13 26.55 0.20 . 1 . . . . . . . . . 5707 1 374 . 1 1 31 31 LEU CD1 C 13 26.25 0.20 . 2 . . . . . . . . . 5707 1 375 . 1 1 31 31 LEU CD2 C 13 22.79 0.20 . 2 . . . . . . . . . 5707 1 376 . 1 1 31 31 LEU N N 15 122.39 0.20 . 1 . . . . . . . . . 5707 1 377 . 1 1 32 32 GLY H H 1 8.34 0.02 . 1 . . . . . . . . . 5707 1 378 . 1 1 32 32 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . . 5707 1 379 . 1 1 32 32 GLY HA3 H 1 3.61 0.02 . 2 . . . . . . . . . 5707 1 380 . 1 1 32 32 GLY C C 13 176.01 0.20 . 1 . . . . . . . . . 5707 1 381 . 1 1 32 32 GLY CA C 13 48.05 0.20 . 1 . . . . . . . . . 5707 1 382 . 1 1 32 32 GLY N N 15 103.73 0.20 . 1 . . . . . . . . . 5707 1 383 . 1 1 33 33 GLU H H 1 7.90 0.02 . 1 . . . . . . . . . 5707 1 384 . 1 1 33 33 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . . 5707 1 385 . 1 1 33 33 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . . 5707 1 386 . 1 1 33 33 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . . 5707 1 387 . 1 1 33 33 GLU HG2 H 1 2.46 0.02 . 2 . . . . . . . . . 5707 1 388 . 1 1 33 33 GLU HG3 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 389 . 1 1 33 33 GLU C C 13 178.86 0.20 . 1 . . . . . . . . . 5707 1 390 . 1 1 33 33 GLU CA C 13 58.81 0.20 . 1 . . . . . . . . . 5707 1 391 . 1 1 33 33 GLU CB C 13 29.10 0.20 . 1 . . . . . . . . . 5707 1 392 . 1 1 33 33 GLU CG C 13 34.97 0.20 . 1 . . . . . . . . . 5707 1 393 . 1 1 33 33 GLU N N 15 119.99 0.20 . 1 . . . . . . . . . 5707 1 394 . 1 1 34 34 ALA H H 1 7.72 0.02 . 1 . . . . . . . . . 5707 1 395 . 1 1 34 34 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . . 5707 1 396 . 1 1 34 34 ALA HB1 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 397 . 1 1 34 34 ALA HB2 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 398 . 1 1 34 34 ALA HB3 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 399 . 1 1 34 34 ALA C C 13 180.46 0.20 . 1 . . . . . . . . . 5707 1 400 . 1 1 34 34 ALA CA C 13 54.68 0.20 . 1 . . . . . . . . . 5707 1 401 . 1 1 34 34 ALA CB C 13 17.98 0.20 . 1 . . . . . . . . . 5707 1 402 . 1 1 34 34 ALA N N 15 121.10 0.20 . 1 . . . . . . . . . 5707 1 403 . 1 1 35 35 LEU H H 1 8.18 0.02 . 1 . . . . . . . . . 5707 1 404 . 1 1 35 35 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . . 5707 1 405 . 1 1 35 35 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . . 5707 1 406 . 1 1 35 35 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . . 5707 1 407 . 1 1 35 35 LEU HG H 1 1.98 0.02 . 1 . . . . . . . . . 5707 1 408 . 1 1 35 35 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 409 . 1 1 35 35 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 410 . 1 1 35 35 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 411 . 1 1 35 35 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 412 . 1 1 35 35 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 413 . 1 1 35 35 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 414 . 1 1 35 35 LEU C C 13 179.38 0.20 . 1 . . . . . . . . . 5707 1 415 . 1 1 35 35 LEU CA C 13 57.03 0.20 . 1 . . . . . . . . . 5707 1 416 . 1 1 35 35 LEU CB C 13 41.36 0.20 . 1 . . . . . . . . . 5707 1 417 . 1 1 35 35 LEU CG C 13 26.82 0.20 . 1 . . . . . . . . . 5707 1 418 . 1 1 35 35 LEU CD1 C 13 26.65 0.20 . 2 . . . . . . . . . 5707 1 419 . 1 1 35 35 LEU CD2 C 13 22.47 0.20 . 2 . . . . . . . . . 5707 1 420 . 1 1 35 35 LEU N N 15 115.97 0.20 . 1 . . . . . . . . . 5707 1 421 . 1 1 36 36 LYS H H 1 7.75 0.02 . 1 . . . . . . . . . 5707 1 422 . 1 1 36 36 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . . 5707 1 423 . 1 1 36 36 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . . 5707 1 424 . 1 1 36 36 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . . 5707 1 425 . 1 1 36 36 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . . 5707 1 426 . 1 1 36 36 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . . 5707 1 427 . 1 1 36 36 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . . 5707 1 428 . 1 1 36 36 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . . 5707 1 429 . 1 1 36 36 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 430 . 1 1 36 36 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 431 . 1 1 36 36 LYS C C 13 178.41 0.20 . 1 . . . . . . . . . 5707 1 432 . 1 1 36 36 LYS CA C 13 59.08 0.20 . 1 . . . . . . . . . 5707 1 433 . 1 1 36 36 LYS CB C 13 32.41 0.20 . 1 . . . . . . . . . 5707 1 434 . 1 1 36 36 LYS CG C 13 25.25 0.20 . 1 . . . . . . . . . 5707 1 435 . 1 1 36 36 LYS CD C 13 29.61 0.20 . 1 . . . . . . . . . 5707 1 436 . 1 1 36 36 LYS CE C 13 42.26 0.20 . 1 . . . . . . . . . 5707 1 437 . 1 1 36 36 LYS N N 15 119.58 0.20 . 1 . . . . . . . . . 5707 1 438 . 1 1 37 37 THR H H 1 7.51 0.02 . 1 . . . . . . . . . 5707 1 439 . 1 1 37 37 THR HA H 1 4.14 0.02 . 1 . . . . . . . . . 5707 1 440 . 1 1 37 37 THR HB H 1 4.33 0.02 . 1 . . . . . . . . . 5707 1 441 . 1 1 37 37 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 442 . 1 1 37 37 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 443 . 1 1 37 37 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 444 . 1 1 37 37 THR C C 13 175.61 0.20 . 1 . . . . . . . . . 5707 1 445 . 1 1 37 37 THR CA C 13 64.30 0.20 . 1 . . . . . . . . . 5707 1 446 . 1 1 37 37 THR CB C 13 69.28 0.20 . 1 . . . . . . . . . 5707 1 447 . 1 1 37 37 THR CG2 C 13 21.98 0.20 . 1 . . . . . . . . . 5707 1 448 . 1 1 37 37 THR N N 15 110.79 0.20 . 1 . . . . . . . . . 5707 1 449 . 1 1 38 38 LEU H H 1 7.60 0.02 . 1 . . . . . . . . . 5707 1 450 . 1 1 38 38 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . . 5707 1 451 . 1 1 38 38 LEU HB2 H 1 1.88 0.02 . 2 . . . . . . . . . 5707 1 452 . 1 1 38 38 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . . 5707 1 453 . 1 1 38 38 LEU HG H 1 1.76 0.02 . 1 . . . . . . . . . 5707 1 454 . 1 1 38 38 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . . 5707 1 455 . 1 1 38 38 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . . 5707 1 456 . 1 1 38 38 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . . 5707 1 457 . 1 1 38 38 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . . 5707 1 458 . 1 1 38 38 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . . 5707 1 459 . 1 1 38 38 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . . 5707 1 460 . 1 1 38 38 LEU C C 13 177.57 0.20 . 1 . . . . . . . . . 5707 1 461 . 1 1 38 38 LEU CA C 13 55.83 0.20 . 1 . . . . . . . . . 5707 1 462 . 1 1 38 38 LEU CB C 13 42.47 0.20 . 1 . . . . . . . . . 5707 1 463 . 1 1 38 38 LEU CG C 13 27.17 0.20 . 1 . . . . . . . . . 5707 1 464 . 1 1 38 38 LEU CD1 C 13 25.79 0.20 . 2 . . . . . . . . . 5707 1 465 . 1 1 38 38 LEU CD2 C 13 23.59 0.20 . 2 . . . . . . . . . 5707 1 466 . 1 1 38 38 LEU N N 15 120.82 0.20 . 1 . . . . . . . . . 5707 1 467 . 1 1 39 39 GLY H H 1 7.67 0.02 . 1 . . . . . . . . . 5707 1 468 . 1 1 39 39 GLY HA2 H 1 4.19 0.02 . 2 . . . . . . . . . 5707 1 469 . 1 1 39 39 GLY HA3 H 1 3.89 0.02 . 2 . . . . . . . . . 5707 1 470 . 1 1 39 39 GLY C C 13 172.79 0.20 . 1 . . . . . . . . . 5707 1 471 . 1 1 39 39 GLY CA C 13 45.58 0.20 . 1 . . . . . . . . . 5707 1 472 . 1 1 39 39 GLY N N 15 107.24 0.20 . 1 . . . . . . . . . 5707 1 473 . 1 1 40 40 SER H H 1 8.05 0.02 . 1 . . . . . . . . . 5707 1 474 . 1 1 40 40 SER HA H 1 4.45 0.02 . 1 . . . . . . . . . 5707 1 475 . 1 1 40 40 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . . 5707 1 476 . 1 1 40 40 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . . 5707 1 477 . 1 1 40 40 SER C C 13 174.34 0.20 . 1 . . . . . . . . . 5707 1 478 . 1 1 40 40 SER CA C 13 58.46 0.20 . 1 . . . . . . . . . 5707 1 479 . 1 1 40 40 SER CB C 13 63.44 0.20 . 1 . . . . . . . . . 5707 1 480 . 1 1 40 40 SER N N 15 114.02 0.20 . 1 . . . . . . . . . 5707 1 481 . 1 1 41 41 ILE H H 1 8.13 0.02 . 1 . . . . . . . . . 5707 1 482 . 1 1 41 41 ILE HA H 1 4.62 0.02 . 1 . . . . . . . . . 5707 1 483 . 1 1 41 41 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . . 5707 1 484 . 1 1 41 41 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . . 5707 1 485 . 1 1 41 41 ILE HG13 H 1 1.26 0.02 . 2 . . . . . . . . . 5707 1 486 . 1 1 41 41 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 487 . 1 1 41 41 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 488 . 1 1 41 41 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 489 . 1 1 41 41 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 490 . 1 1 41 41 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 491 . 1 1 41 41 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . . 5707 1 492 . 1 1 41 41 ILE C C 13 175.13 0.20 . 1 . . . . . . . . . 5707 1 493 . 1 1 41 41 ILE CA C 13 59.72 0.20 . 1 . . . . . . . . . 5707 1 494 . 1 1 41 41 ILE CB C 13 40.00 0.20 . 1 . . . . . . . . . 5707 1 495 . 1 1 41 41 ILE CG1 C 13 27.94 0.20 . 1 . . . . . . . . . 5707 1 496 . 1 1 41 41 ILE CG2 C 13 17.58 0.20 . 1 . . . . . . . . . 5707 1 497 . 1 1 41 41 ILE CD1 C 13 13.92 0.20 . 1 . . . . . . . . . 5707 1 498 . 1 1 41 41 ILE N N 15 123.18 0.20 . 1 . . . . . . . . . 5707 1 499 . 1 1 42 42 THR H H 1 8.11 0.02 . 1 . . . . . . . . . 5707 1 500 . 1 1 42 42 THR HA H 1 4.82 0.02 . 1 . . . . . . . . . 5707 1 501 . 1 1 42 42 THR HB H 1 4.65 0.02 . 1 . . . . . . . . . 5707 1 502 . 1 1 42 42 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . . 5707 1 503 . 1 1 42 42 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . . 5707 1 504 . 1 1 42 42 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . . 5707 1 505 . 1 1 42 42 THR CA C 13 59.77 0.20 . 1 . . . . . . . . . 5707 1 506 . 1 1 42 42 THR CB C 13 69.07 0.20 . 1 . . . . . . . . . 5707 1 507 . 1 1 42 42 THR CG2 C 13 21.99 0.20 . 1 . . . . . . . . . 5707 1 508 . 1 1 42 42 THR N N 15 117.91 0.20 . 1 . . . . . . . . . 5707 1 509 . 1 1 43 43 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . . 5707 1 510 . 1 1 43 43 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 511 . 1 1 43 43 PRO HB3 H 1 1.98 0.02 . 2 . . . . . . . . . 5707 1 512 . 1 1 43 43 PRO HG2 H 1 2.21 0.02 . 2 . . . . . . . . . 5707 1 513 . 1 1 43 43 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . . 5707 1 514 . 1 1 43 43 PRO HD2 H 1 3.93 0.02 . 2 . . . . . . . . . 5707 1 515 . 1 1 43 43 PRO HD3 H 1 3.91 0.02 . 2 . . . . . . . . . 5707 1 516 . 1 1 43 43 PRO C C 13 179.59 0.20 . 1 . . . . . . . . . 5707 1 517 . 1 1 43 43 PRO CA C 13 65.81 0.20 . 1 . . . . . . . . . 5707 1 518 . 1 1 43 43 PRO CB C 13 31.91 0.20 . 1 . . . . . . . . . 5707 1 519 . 1 1 43 43 PRO CG C 13 28.10 0.20 . 1 . . . . . . . . . 5707 1 520 . 1 1 43 43 PRO CD C 13 50.62 0.20 . 1 . . . . . . . . . 5707 1 521 . 1 1 44 44 ASP H H 1 8.36 0.02 . 1 . . . . . . . . . 5707 1 522 . 1 1 44 44 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . . 5707 1 523 . 1 1 44 44 ASP HB2 H 1 2.57 0.02 . 1 . . . . . . . . . 5707 1 524 . 1 1 44 44 ASP HB3 H 1 2.57 0.02 . 1 . . . . . . . . . 5707 1 525 . 1 1 44 44 ASP C C 13 178.59 0.20 . 1 . . . . . . . . . 5707 1 526 . 1 1 44 44 ASP CA C 13 57.10 0.20 . 1 . . . . . . . . . 5707 1 527 . 1 1 44 44 ASP CB C 13 40.53 0.20 . 1 . . . . . . . . . 5707 1 528 . 1 1 44 44 ASP N N 15 116.46 0.20 . 1 . . . . . . . . . 5707 1 529 . 1 1 45 45 GLU H H 1 7.83 0.02 . 1 . . . . . . . . . 5707 1 530 . 1 1 45 45 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . . 5707 1 531 . 1 1 45 45 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 532 . 1 1 45 45 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 5707 1 533 . 1 1 45 45 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . . 5707 1 534 . 1 1 45 45 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . . 5707 1 535 . 1 1 45 45 GLU C C 13 179.47 0.20 . 1 . . . . . . . . . 5707 1 536 . 1 1 45 45 GLU CA C 13 59.09 0.20 . 1 . . . . . . . . . 5707 1 537 . 1 1 45 45 GLU CB C 13 29.28 0.20 . 1 . . . . . . . . . 5707 1 538 . 1 1 45 45 GLU CG C 13 35.20 0.20 . 1 . . . . . . . . . 5707 1 539 . 1 1 45 45 GLU N N 15 121.63 0.20 . 1 . . . . . . . . . 5707 1 540 . 1 1 46 46 VAL H H 1 8.03 0.02 . 1 . . . . . . . . . 5707 1 541 . 1 1 46 46 VAL HA H 1 3.39 0.02 . 1 . . . . . . . . . 5707 1 542 . 1 1 46 46 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . . 5707 1 543 . 1 1 46 46 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . . 5707 1 544 . 1 1 46 46 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . . 5707 1 545 . 1 1 46 46 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . . 5707 1 546 . 1 1 46 46 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . . 5707 1 547 . 1 1 46 46 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . . 5707 1 548 . 1 1 46 46 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . . 5707 1 549 . 1 1 46 46 VAL C C 13 177.57 0.20 . 1 . . . . . . . . . 5707 1 550 . 1 1 46 46 VAL CA C 13 67.42 0.20 . 1 . . . . . . . . . 5707 1 551 . 1 1 46 46 VAL CB C 13 31.51 0.20 . 1 . . . . . . . . . 5707 1 552 . 1 1 46 46 VAL CG1 C 13 23.61 0.20 . 2 . . . . . . . . . 5707 1 553 . 1 1 46 46 VAL CG2 C 13 21.63 0.20 . 2 . . . . . . . . . 5707 1 554 . 1 1 46 46 VAL N N 15 120.94 0.20 . 1 . . . . . . . . . 5707 1 555 . 1 1 47 47 LYS H H 1 7.82 0.02 . 1 . . . . . . . . . 5707 1 556 . 1 1 47 47 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . . 5707 1 557 . 1 1 47 47 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . . 5707 1 558 . 1 1 47 47 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . . 5707 1 559 . 1 1 47 47 LYS HG2 H 1 1.57 0.02 . 2 . . . . . . . . . 5707 1 560 . 1 1 47 47 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . . 5707 1 561 . 1 1 47 47 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . . 5707 1 562 . 1 1 47 47 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . . 5707 1 563 . 1 1 47 47 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . . 5707 1 564 . 1 1 47 47 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . . 5707 1 565 . 1 1 47 47 LYS C C 13 179.62 0.20 . 1 . . . . . . . . . 5707 1 566 . 1 1 47 47 LYS CA C 13 59.90 0.20 . 1 . . . . . . . . . 5707 1 567 . 1 1 47 47 LYS CB C 13 32.40 0.20 . 1 . . . . . . . . . 5707 1 568 . 1 1 47 47 LYS CG C 13 25.28 0.20 . 1 . . . . . . . . . 5707 1 569 . 1 1 47 47 LYS CD C 13 29.55 0.20 . 1 . . . . . . . . . 5707 1 570 . 1 1 47 47 LYS CE C 13 42.24 0.20 . 1 . . . . . . . . . 5707 1 571 . 1 1 47 47 LYS N N 15 118.57 0.20 . 1 . . . . . . . . . 5707 1 572 . 1 1 48 48 HIS H H 1 8.00 0.02 . 1 . . . . . . . . . 5707 1 573 . 1 1 48 48 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . . 5707 1 574 . 1 1 48 48 HIS HB2 H 1 3.34 0.02 . 1 . . . . . . . . . 5707 1 575 . 1 1 48 48 HIS HB3 H 1 3.34 0.02 . 1 . . . . . . . . . 5707 1 576 . 1 1 48 48 HIS HD2 H 1 7.25 0.02 . 1 . . . . . . . . . 5707 1 577 . 1 1 48 48 HIS HE1 H 1 8.37 0.02 . 1 . . . . . . . . . 5707 1 578 . 1 1 48 48 HIS C C 13 176.75 0.20 . 1 . . . . . . . . . 5707 1 579 . 1 1 48 48 HIS CA C 13 58.61 0.20 . 1 . . . . . . . . . 5707 1 580 . 1 1 48 48 HIS CB C 13 28.24 0.20 . 1 . . . . . . . . . 5707 1 581 . 1 1 48 48 HIS N N 15 117.90 0.20 . 1 . . . . . . . . . 5707 1 582 . 1 1 49 49 MET H H 1 8.29 0.02 . 1 . . . . . . . . . 5707 1 583 . 1 1 49 49 MET HA H 1 4.03 0.02 . 1 . . . . . . . . . 5707 1 584 . 1 1 49 49 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . . 5707 1 585 . 1 1 49 49 MET HB3 H 1 1.87 0.02 . 2 . . . . . . . . . 5707 1 586 . 1 1 49 49 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . . 5707 1 587 . 1 1 49 49 MET HG3 H 1 2.40 0.02 . 2 . . . . . . . . . 5707 1 588 . 1 1 49 49 MET HE1 H 1 2.01 0.02 . 1 . . . . . . . . . 5707 1 589 . 1 1 49 49 MET HE2 H 1 2.01 0.02 . 1 . . . . . . . . . 5707 1 590 . 1 1 49 49 MET HE3 H 1 2.01 0.02 . 1 . . . . . . . . . 5707 1 591 . 1 1 49 49 MET C C 13 178.31 0.20 . 1 . . . . . . . . . 5707 1 592 . 1 1 49 49 MET CA C 13 59.00 0.20 . 1 . . . . . . . . . 5707 1 593 . 1 1 49 49 MET CB C 13 32.68 0.20 . 1 . . . . . . . . . 5707 1 594 . 1 1 49 49 MET CG C 13 32.64 0.20 . 1 . . . . . . . . . 5707 1 595 . 1 1 49 49 MET CE C 13 17.15 0.20 . 1 . . . . . . . . . 5707 1 596 . 1 1 49 49 MET N N 15 119.46 0.20 . 1 . . . . . . . . . 5707 1 597 . 1 1 50 50 MET H H 1 8.44 0.02 . 1 . . . . . . . . . 5707 1 598 . 1 1 50 50 MET HA H 1 4.02 0.02 . 1 . . . . . . . . . 5707 1 599 . 1 1 50 50 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . . 5707 1 600 . 1 1 50 50 MET HB3 H 1 1.97 0.02 . 2 . . . . . . . . . 5707 1 601 . 1 1 50 50 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . . 5707 1 602 . 1 1 50 50 MET HG3 H 1 2.52 0.02 . 2 . . . . . . . . . 5707 1 603 . 1 1 50 50 MET HE1 H 1 1.83 0.02 . 1 . . . . . . . . . 5707 1 604 . 1 1 50 50 MET HE2 H 1 1.83 0.02 . 1 . . . . . . . . . 5707 1 605 . 1 1 50 50 MET HE3 H 1 1.83 0.02 . 1 . . . . . . . . . 5707 1 606 . 1 1 50 50 MET C C 13 177.51 0.20 . 1 . . . . . . . . . 5707 1 607 . 1 1 50 50 MET CA C 13 57.76 0.20 . 1 . . . . . . . . . 5707 1 608 . 1 1 50 50 MET CB C 13 30.78 0.20 . 1 . . . . . . . . . 5707 1 609 . 1 1 50 50 MET CG C 13 32.21 0.20 . 1 . . . . . . . . . 5707 1 610 . 1 1 50 50 MET CE C 13 17.15 0.20 . 1 . . . . . . . . . 5707 1 611 . 1 1 50 50 MET N N 15 117.80 0.20 . 1 . . . . . . . . . 5707 1 612 . 1 1 51 51 ALA H H 1 7.49 0.02 . 1 . . . . . . . . . 5707 1 613 . 1 1 51 51 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . . 5707 1 614 . 1 1 51 51 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . . 5707 1 615 . 1 1 51 51 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . . 5707 1 616 . 1 1 51 51 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . . 5707 1 617 . 1 1 51 51 ALA C C 13 179.60 0.20 . 1 . . . . . . . . . 5707 1 618 . 1 1 51 51 ALA CA C 13 54.44 0.20 . 1 . . . . . . . . . 5707 1 619 . 1 1 51 51 ALA CB C 13 18.12 0.20 . 1 . . . . . . . . . 5707 1 620 . 1 1 51 51 ALA N N 15 118.10 0.20 . 1 . . . . . . . . . 5707 1 621 . 1 1 52 52 GLU H H 1 7.47 0.02 . 1 . . . . . . . . . 5707 1 622 . 1 1 52 52 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . . 5707 1 623 . 1 1 52 52 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . . 5707 1 624 . 1 1 52 52 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . . 5707 1 625 . 1 1 52 52 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 626 . 1 1 52 52 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . . 5707 1 627 . 1 1 52 52 GLU C C 13 177.14 0.20 . 1 . . . . . . . . . 5707 1 628 . 1 1 52 52 GLU CA C 13 57.71 0.20 . 1 . . . . . . . . . 5707 1 629 . 1 1 52 52 GLU CB C 13 29.65 0.20 . 1 . . . . . . . . . 5707 1 630 . 1 1 52 52 GLU CG C 13 34.08 0.20 . 1 . . . . . . . . . 5707 1 631 . 1 1 52 52 GLU N N 15 114.74 0.20 . 1 . . . . . . . . . 5707 1 632 . 1 1 53 53 ILE H H 1 7.65 0.02 . 1 . . . . . . . . . 5707 1 633 . 1 1 53 53 ILE HA H 1 3.81 0.02 . 1 . . . . . . . . . 5707 1 634 . 1 1 53 53 ILE HB H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 635 . 1 1 53 53 ILE HG12 H 1 1.37 0.02 . 2 . . . . . . . . . 5707 1 636 . 1 1 53 53 ILE HG13 H 1 -0.41 0.02 . 2 . . . . . . . . . 5707 1 637 . 1 1 53 53 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 638 . 1 1 53 53 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 639 . 1 1 53 53 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . . 5707 1 640 . 1 1 53 53 ILE HD11 H 1 0.20 0.02 . 1 . . . . . . . . . 5707 1 641 . 1 1 53 53 ILE HD12 H 1 0.20 0.02 . 1 . . . . . . . . . 5707 1 642 . 1 1 53 53 ILE HD13 H 1 0.20 0.02 . 1 . . . . . . . . . 5707 1 643 . 1 1 53 53 ILE C C 13 177.27 0.20 . 1 . . . . . . . . . 5707 1 644 . 1 1 53 53 ILE CA C 13 63.36 0.20 . 1 . . . . . . . . . 5707 1 645 . 1 1 53 53 ILE CB C 13 39.33 0.20 . 1 . . . . . . . . . 5707 1 646 . 1 1 53 53 ILE CG1 C 13 27.24 0.20 . 1 . . . . . . . . . 5707 1 647 . 1 1 53 53 ILE CG2 C 13 19.65 0.20 . 1 . . . . . . . . . 5707 1 648 . 1 1 53 53 ILE CD1 C 13 13.82 0.20 . 1 . . . . . . . . . 5707 1 649 . 1 1 53 53 ILE N N 15 116.86 0.20 . 1 . . . . . . . . . 5707 1 650 . 1 1 54 54 ASP H H 1 8.31 0.02 . 1 . . . . . . . . . 5707 1 651 . 1 1 54 54 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . . 5707 1 652 . 1 1 54 54 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . . 5707 1 653 . 1 1 54 54 ASP HB3 H 1 2.26 0.02 . 2 . . . . . . . . . 5707 1 654 . 1 1 54 54 ASP C C 13 177.05 0.20 . 1 . . . . . . . . . 5707 1 655 . 1 1 54 54 ASP CA C 13 53.15 0.20 . 1 . . . . . . . . . 5707 1 656 . 1 1 54 54 ASP CB C 13 39.58 0.20 . 1 . . . . . . . . . 5707 1 657 . 1 1 54 54 ASP CG C 13 179.79 0.20 . 1 . . . . . . . . . 5707 1 658 . 1 1 54 54 ASP N N 15 118.57 0.20 . 1 . . . . . . . . . 5707 1 659 . 1 1 55 55 THR H H 1 8.29 0.02 . 1 . . . . . . . . . 5707 1 660 . 1 1 55 55 THR HA H 1 4.01 0.02 . 1 . . . . . . . . . 5707 1 661 . 1 1 55 55 THR HB H 1 4.31 0.02 . 1 . . . . . . . . . 5707 1 662 . 1 1 55 55 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 663 . 1 1 55 55 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 664 . 1 1 55 55 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . . 5707 1 665 . 1 1 55 55 THR C C 13 176.85 0.20 . 1 . . . . . . . . . 5707 1 666 . 1 1 55 55 THR CA C 13 64.91 0.20 . 1 . . . . . . . . . 5707 1 667 . 1 1 55 55 THR CB C 13 69.22 0.20 . 1 . . . . . . . . . 5707 1 668 . 1 1 55 55 THR CG2 C 13 22.68 0.20 . 1 . . . . . . . . . 5707 1 669 . 1 1 55 55 THR N N 15 119.86 0.20 . 1 . . . . . . . . . 5707 1 670 . 1 1 56 56 ASP H H 1 8.31 0.02 . 1 . . . . . . . . . 5707 1 671 . 1 1 56 56 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . . 5707 1 672 . 1 1 56 56 ASP HB2 H 1 3.11 0.02 . 2 . . . . . . . . . 5707 1 673 . 1 1 56 56 ASP HB3 H 1 2.73 0.02 . 2 . . . . . . . . . 5707 1 674 . 1 1 56 56 ASP C C 13 178.25 0.20 . 1 . . . . . . . . . 5707 1 675 . 1 1 56 56 ASP CA C 13 53.53 0.20 . 1 . . . . . . . . . 5707 1 676 . 1 1 56 56 ASP CB C 13 39.76 0.20 . 1 . . . . . . . . . 5707 1 677 . 1 1 56 56 ASP N N 15 117.86 0.20 . 1 . . . . . . . . . 5707 1 678 . 1 1 57 57 GLY H H 1 7.71 0.02 . 1 . . . . . . . . . 5707 1 679 . 1 1 57 57 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . . 5707 1 680 . 1 1 57 57 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . . 5707 1 681 . 1 1 57 57 GLY C C 13 175.29 0.20 . 1 . . . . . . . . . 5707 1 682 . 1 1 57 57 GLY CA C 13 47.37 0.20 . 1 . . . . . . . . . 5707 1 683 . 1 1 57 57 GLY N N 15 109.46 0.20 . 1 . . . . . . . . . 5707 1 684 . 1 1 58 58 ASP H H 1 8.51 0.02 . 1 . . . . . . . . . 5707 1 685 . 1 1 58 58 ASP HA H 1 4.50 0.02 . 1 . . . . . . . . . 5707 1 686 . 1 1 58 58 ASP HB2 H 1 3.16 0.02 . 2 . . . . . . . . . 5707 1 687 . 1 1 58 58 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . . 5707 1 688 . 1 1 58 58 ASP C C 13 177.03 0.20 . 1 . . . . . . . . . 5707 1 689 . 1 1 58 58 ASP CA C 13 54.06 0.20 . 1 . . . . . . . . . 5707 1 690 . 1 1 58 58 ASP CB C 13 40.51 0.20 . 1 . . . . . . . . . 5707 1 691 . 1 1 58 58 ASP N N 15 120.79 0.20 . 1 . . . . . . . . . 5707 1 692 . 1 1 59 59 GLY H H 1 10.13 0.02 . 1 . . . . . . . . . 5707 1 693 . 1 1 59 59 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . . 5707 1 694 . 1 1 59 59 GLY HA3 H 1 3.28 0.02 . 2 . . . . . . . . . 5707 1 695 . 1 1 59 59 GLY C C 13 172.53 0.20 . 1 . . . . . . . . . 5707 1 696 . 1 1 59 59 GLY CA C 13 45.06 0.20 . 1 . . . . . . . . . 5707 1 697 . 1 1 59 59 GLY N N 15 112.24 0.20 . 1 . . . . . . . . . 5707 1 698 . 1 1 60 60 PHE H H 1 8.14 0.02 . 1 . . . . . . . . . 5707 1 699 . 1 1 60 60 PHE HA H 1 5.00 0.02 . 1 . . . . . . . . . 5707 1 700 . 1 1 60 60 PHE HB2 H 1 2.83 0.02 . 2 . . . . . . . . . 5707 1 701 . 1 1 60 60 PHE HB3 H 1 2.63 0.02 . 2 . . . . . . . . . 5707 1 702 . 1 1 60 60 PHE HD1 H 1 6.85 0.02 . 1 . . . . . . . . . 5707 1 703 . 1 1 60 60 PHE HD2 H 1 6.85 0.02 . 1 . . . . . . . . . 5707 1 704 . 1 1 60 60 PHE HE1 H 1 7.34 0.02 . 1 . . . . . . . . . 5707 1 705 . 1 1 60 60 PHE HE2 H 1 7.34 0.02 . 1 . . . . . . . . . 5707 1 706 . 1 1 60 60 PHE C C 13 174.83 0.20 . 1 . . . . . . . . . 5707 1 707 . 1 1 60 60 PHE CA C 13 55.80 0.20 . 1 . . . . . . . . . 5707 1 708 . 1 1 60 60 PHE CB C 13 44.30 0.20 . 1 . . . . . . . . . 5707 1 709 . 1 1 60 60 PHE N N 15 116.54 0.20 . 1 . . . . . . . . . 5707 1 710 . 1 1 61 61 ILE H H 1 9.78 0.02 . 1 . . . . . . . . . 5707 1 711 . 1 1 61 61 ILE HA H 1 5.00 0.02 . 1 . . . . . . . . . 5707 1 712 . 1 1 61 61 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . . 5707 1 713 . 1 1 61 61 ILE HG12 H 1 1.66 0.02 . 2 . . . . . . . . . 5707 1 714 . 1 1 61 61 ILE HG13 H 1 0.84 0.02 . 2 . . . . . . . . . 5707 1 715 . 1 1 61 61 ILE HG21 H 1 1.27 0.02 . 1 . . . . . . . . . 5707 1 716 . 1 1 61 61 ILE HG22 H 1 1.27 0.02 . 1 . . . . . . . . . 5707 1 717 . 1 1 61 61 ILE HG23 H 1 1.27 0.02 . 1 . . . . . . . . . 5707 1 718 . 1 1 61 61 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 719 . 1 1 61 61 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 720 . 1 1 61 61 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . . 5707 1 721 . 1 1 61 61 ILE C C 13 176.23 0.20 . 1 . . . . . . . . . 5707 1 722 . 1 1 61 61 ILE CA C 13 60.34 0.20 . 1 . . . . . . . . . 5707 1 723 . 1 1 61 61 ILE CB C 13 39.71 0.20 . 1 . . . . . . . . . 5707 1 724 . 1 1 61 61 ILE CG1 C 13 27.22 0.20 . 1 . . . . . . . . . 5707 1 725 . 1 1 61 61 ILE CG2 C 13 19.01 0.20 . 1 . . . . . . . . . 5707 1 726 . 1 1 61 61 ILE CD1 C 13 15.42 0.20 . 1 . . . . . . . . . 5707 1 727 . 1 1 61 61 ILE N N 15 125.04 0.20 . 1 . . . . . . . . . 5707 1 728 . 1 1 62 62 SER H H 1 9.72 0.02 . 1 . . . . . . . . . 5707 1 729 . 1 1 62 62 SER HA H 1 4.99 0.02 . 1 . . . . . . . . . 5707 1 730 . 1 1 62 62 SER HB2 H 1 4.55 0.02 . 2 . . . . . . . . . 5707 1 731 . 1 1 62 62 SER HB3 H 1 4.18 0.02 . 2 . . . . . . . . . 5707 1 732 . 1 1 62 62 SER HG H 1 6.03 0.02 . 1 . . . . . . . . . 5707 1 733 . 1 1 62 62 SER C C 13 175.26 0.20 . 1 . . . . . . . . . 5707 1 734 . 1 1 62 62 SER CA C 13 56.67 0.20 . 1 . . . . . . . . . 5707 1 735 . 1 1 62 62 SER CB C 13 66.04 0.20 . 1 . . . . . . . . . 5707 1 736 . 1 1 62 62 SER N N 15 125.44 0.20 . 1 . . . . . . . . . 5707 1 737 . 1 1 63 63 PHE H H 1 9.45 0.02 . 1 . . . . . . . . . 5707 1 738 . 1 1 63 63 PHE HA H 1 3.69 0.02 . 1 . . . . . . . . . 5707 1 739 . 1 1 63 63 PHE HB2 H 1 2.70 0.02 . 2 . . . . . . . . . 5707 1 740 . 1 1 63 63 PHE HB3 H 1 2.42 0.02 . 2 . . . . . . . . . 5707 1 741 . 1 1 63 63 PHE HD1 H 1 6.45 0.02 . 1 . . . . . . . . . 5707 1 742 . 1 1 63 63 PHE HD2 H 1 6.45 0.02 . 1 . . . . . . . . . 5707 1 743 . 1 1 63 63 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . . 5707 1 744 . 1 1 63 63 PHE HE2 H 1 7.11 0.02 . 1 . . . . . . . . . 5707 1 745 . 1 1 63 63 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . . 5707 1 746 . 1 1 63 63 PHE C C 13 178.72 0.20 . 1 . . . . . . . . . 5707 1 747 . 1 1 63 63 PHE CA C 13 62.24 0.20 . 1 . . . . . . . . . 5707 1 748 . 1 1 63 63 PHE CB C 13 38.33 0.20 . 1 . . . . . . . . . 5707 1 749 . 1 1 63 63 PHE N N 15 122.84 0.20 . 1 . . . . . . . . . 5707 1 750 . 1 1 64 64 GLN H H 1 8.79 0.02 . 1 . . . . . . . . . 5707 1 751 . 1 1 64 64 GLN HA H 1 3.82 0.02 . 1 . . . . . . . . . 5707 1 752 . 1 1 64 64 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . . 5707 1 753 . 1 1 64 64 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . . 5707 1 754 . 1 1 64 64 GLN HG2 H 1 2.45 0.02 . 2 . . . . . . . . . 5707 1 755 . 1 1 64 64 GLN HG3 H 1 2.39 0.02 . 2 . . . . . . . . . 5707 1 756 . 1 1 64 64 GLN HE21 H 1 7.83 0.02 . 2 . . . . . . . . . 5707 1 757 . 1 1 64 64 GLN HE22 H 1 6.88 0.02 . 2 . . . . . . . . . 5707 1 758 . 1 1 64 64 GLN C C 13 178.09 0.20 . 1 . . . . . . . . . 5707 1 759 . 1 1 64 64 GLN CA C 13 59.29 0.20 . 1 . . . . . . . . . 5707 1 760 . 1 1 64 64 GLN CB C 13 28.49 0.20 . 1 . . . . . . . . . 5707 1 761 . 1 1 64 64 GLN CG C 13 33.78 0.20 . 1 . . . . . . . . . 5707 1 762 . 1 1 64 64 GLN CD C 13 180.63 0.20 . 1 . . . . . . . . . 5707 1 763 . 1 1 64 64 GLN N N 15 121.20 0.20 . 1 . . . . . . . . . 5707 1 764 . 1 1 64 64 GLN NE2 N 15 114.92 0.20 . 1 . . . . . . . . . 5707 1 765 . 1 1 65 65 GLU H H 1 7.96 0.02 . 1 . . . . . . . . . 5707 1 766 . 1 1 65 65 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . . 5707 1 767 . 1 1 65 65 GLU HB2 H 1 2.59 0.02 . 2 . . . . . . . . . 5707 1 768 . 1 1 65 65 GLU HB3 H 1 2.40 0.02 . 2 . . . . . . . . . 5707 1 769 . 1 1 65 65 GLU HG2 H 1 2.75 0.02 . 2 . . . . . . . . . 5707 1 770 . 1 1 65 65 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . . 5707 1 771 . 1 1 65 65 GLU C C 13 180.70 0.20 . 1 . . . . . . . . . 5707 1 772 . 1 1 65 65 GLU CA C 13 59.11 0.20 . 1 . . . . . . . . . 5707 1 773 . 1 1 65 65 GLU CB C 13 29.27 0.20 . 1 . . . . . . . . . 5707 1 774 . 1 1 65 65 GLU CG C 13 36.78 0.20 . 1 . . . . . . . . . 5707 1 775 . 1 1 65 65 GLU N N 15 120.00 0.20 . 1 . . . . . . . . . 5707 1 776 . 1 1 66 66 PHE H H 1 8.90 0.02 . 1 . . . . . . . . . 5707 1 777 . 1 1 66 66 PHE HA H 1 4.04 0.02 . 1 . . . . . . . . . 5707 1 778 . 1 1 66 66 PHE HB2 H 1 3.31 0.02 . 2 . . . . . . . . . 5707 1 779 . 1 1 66 66 PHE HB3 H 1 3.20 0.02 . 2 . . . . . . . . . 5707 1 780 . 1 1 66 66 PHE HD1 H 1 7.03 0.02 . 1 . . . . . . . . . 5707 1 781 . 1 1 66 66 PHE HD2 H 1 7.03 0.02 . 1 . . . . . . . . . 5707 1 782 . 1 1 66 66 PHE HE1 H 1 7.17 0.02 . 1 . . . . . . . . . 5707 1 783 . 1 1 66 66 PHE HE2 H 1 7.17 0.02 . 1 . . . . . . . . . 5707 1 784 . 1 1 66 66 PHE C C 13 177.15 0.20 . 1 . . . . . . . . . 5707 1 785 . 1 1 66 66 PHE CA C 13 61.88 0.20 . 1 . . . . . . . . . 5707 1 786 . 1 1 66 66 PHE CB C 13 40.33 0.20 . 1 . . . . . . . . . 5707 1 787 . 1 1 66 66 PHE N N 15 121.86 0.20 . 1 . . . . . . . . . 5707 1 788 . 1 1 67 67 THR H H 1 8.34 0.02 . 1 . . . . . . . . . 5707 1 789 . 1 1 67 67 THR HA H 1 3.53 0.02 . 1 . . . . . . . . . 5707 1 790 . 1 1 67 67 THR HB H 1 4.12 0.02 . 1 . . . . . . . . . 5707 1 791 . 1 1 67 67 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . . 5707 1 792 . 1 1 67 67 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . . 5707 1 793 . 1 1 67 67 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . . 5707 1 794 . 1 1 67 67 THR C C 13 176.16 0.20 . 1 . . . . . . . . . 5707 1 795 . 1 1 67 67 THR CA C 13 66.65 0.20 . 1 . . . . . . . . . 5707 1 796 . 1 1 67 67 THR CB C 13 68.82 0.20 . 1 . . . . . . . . . 5707 1 797 . 1 1 67 67 THR CG2 C 13 20.95 0.20 . 1 . . . . . . . . . 5707 1 798 . 1 1 67 67 THR N N 15 116.17 0.20 . 1 . . . . . . . . . 5707 1 799 . 1 1 68 68 ASP H H 1 8.39 0.02 . 1 . . . . . . . . . 5707 1 800 . 1 1 68 68 ASP HA H 1 4.37 0.02 . 1 . . . . . . . . . 5707 1 801 . 1 1 68 68 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . . 5707 1 802 . 1 1 68 68 ASP HB3 H 1 2.73 0.02 . 1 . . . . . . . . . 5707 1 803 . 1 1 68 68 ASP C C 13 178.49 0.20 . 1 . . . . . . . . . 5707 1 804 . 1 1 68 68 ASP CA C 13 57.19 0.20 . 1 . . . . . . . . . 5707 1 805 . 1 1 68 68 ASP CB C 13 39.90 0.20 . 1 . . . . . . . . . 5707 1 806 . 1 1 68 68 ASP N N 15 122.16 0.20 . 1 . . . . . . . . . 5707 1 807 . 1 1 69 69 PHE H H 1 7.84 0.02 . 1 . . . . . . . . . 5707 1 808 . 1 1 69 69 PHE HA H 1 4.35 0.02 . 1 . . . . . . . . . 5707 1 809 . 1 1 69 69 PHE HB2 H 1 3.36 0.02 . 2 . . . . . . . . . 5707 1 810 . 1 1 69 69 PHE HB3 H 1 2.87 0.02 . 2 . . . . . . . . . 5707 1 811 . 1 1 69 69 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . . 5707 1 812 . 1 1 69 69 PHE HD2 H 1 7.01 0.02 . 1 . . . . . . . . . 5707 1 813 . 1 1 69 69 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . . 5707 1 814 . 1 1 69 69 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . . 5707 1 815 . 1 1 69 69 PHE C C 13 177.76 0.20 . 1 . . . . . . . . . 5707 1 816 . 1 1 69 69 PHE CA C 13 60.82 0.20 . 1 . . . . . . . . . 5707 1 817 . 1 1 69 69 PHE CB C 13 39.54 0.20 . 1 . . . . . . . . . 5707 1 818 . 1 1 69 69 PHE N N 15 120.78 0.20 . 1 . . . . . . . . . 5707 1 819 . 1 1 70 70 GLY H H 1 8.26 0.02 . 1 . . . . . . . . . 5707 1 820 . 1 1 70 70 GLY HA2 H 1 3.45 0.02 . 2 . . . . . . . . . 5707 1 821 . 1 1 70 70 GLY HA3 H 1 3.40 0.02 . 2 . . . . . . . . . 5707 1 822 . 1 1 70 70 GLY C C 13 175.14 0.20 . 1 . . . . . . . . . 5707 1 823 . 1 1 70 70 GLY CA C 13 46.51 0.20 . 1 . . . . . . . . . 5707 1 824 . 1 1 70 70 GLY N N 15 107.74 0.20 . 1 . . . . . . . . . 5707 1 825 . 1 1 71 71 ARG H H 1 7.72 0.02 . 1 . . . . . . . . . 5707 1 826 . 1 1 71 71 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . . 5707 1 827 . 1 1 71 71 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . . 5707 1 828 . 1 1 71 71 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . . 5707 1 829 . 1 1 71 71 ARG HG2 H 1 1.72 0.02 . 2 . . . . . . . . . 5707 1 830 . 1 1 71 71 ARG HG3 H 1 1.58 0.02 . 2 . . . . . . . . . 5707 1 831 . 1 1 71 71 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . . 5707 1 832 . 1 1 71 71 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . . 5707 1 833 . 1 1 71 71 ARG HE H 1 7.26 0.02 . 1 . . . . . . . . . 5707 1 834 . 1 1 71 71 ARG C C 13 177.15 0.20 . 1 . . . . . . . . . 5707 1 835 . 1 1 71 71 ARG CA C 13 58.26 0.20 . 1 . . . . . . . . . 5707 1 836 . 1 1 71 71 ARG CB C 13 30.31 0.20 . 1 . . . . . . . . . 5707 1 837 . 1 1 71 71 ARG CG C 13 27.76 0.20 . 1 . . . . . . . . . 5707 1 838 . 1 1 71 71 ARG CD C 13 43.53 0.20 . 1 . . . . . . . . . 5707 1 839 . 1 1 71 71 ARG CZ C 13 159.64 0.20 . 1 . . . . . . . . . 5707 1 840 . 1 1 71 71 ARG N N 15 119.24 0.20 . 1 . . . . . . . . . 5707 1 841 . 1 1 71 71 ARG NE N 15 84.47 0.20 . 1 . . . . . . . . . 5707 1 842 . 1 1 72 72 ALA H H 1 7.33 0.02 . 1 . . . . . . . . . 5707 1 843 . 1 1 72 72 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . . 5707 1 844 . 1 1 72 72 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . . 5707 1 845 . 1 1 72 72 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . . 5707 1 846 . 1 1 72 72 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . . 5707 1 847 . 1 1 72 72 ALA C C 13 177.41 0.20 . 1 . . . . . . . . . 5707 1 848 . 1 1 72 72 ALA CA C 13 52.66 0.20 . 1 . . . . . . . . . 5707 1 849 . 1 1 72 72 ALA CB C 13 19.59 0.20 . 1 . . . . . . . . . 5707 1 850 . 1 1 72 72 ALA N N 15 119.93 0.20 . 1 . . . . . . . . . 5707 1 851 . 1 1 73 73 ASN H H 1 7.58 0.02 . 1 . . . . . . . . . 5707 1 852 . 1 1 73 73 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . . 5707 1 853 . 1 1 73 73 ASN HB2 H 1 2.41 0.02 . 2 . . . . . . . . . 5707 1 854 . 1 1 73 73 ASN HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 5707 1 855 . 1 1 73 73 ASN HD21 H 1 7.00 0.02 . 2 . . . . . . . . . 5707 1 856 . 1 1 73 73 ASN HD22 H 1 6.87 0.02 . 2 . . . . . . . . . 5707 1 857 . 1 1 73 73 ASN C C 13 174.55 0.20 . 1 . . . . . . . . . 5707 1 858 . 1 1 73 73 ASN CA C 13 52.58 0.20 . 1 . . . . . . . . . 5707 1 859 . 1 1 73 73 ASN CB C 13 39.00 0.20 . 1 . . . . . . . . . 5707 1 860 . 1 1 73 73 ASN CG C 13 177.47 0.20 . 1 . . . . . . . . . 5707 1 861 . 1 1 73 73 ASN N N 15 117.66 0.20 . 1 . . . . . . . . . 5707 1 862 . 1 1 73 73 ASN ND2 N 15 116.04 0.20 . 1 . . . . . . . . . 5707 1 863 . 1 1 74 74 ARG H H 1 8.10 0.02 . 1 . . . . . . . . . 5707 1 864 . 1 1 74 74 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . . 5707 1 865 . 1 1 74 74 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . . 5707 1 866 . 1 1 74 74 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . . 5707 1 867 . 1 1 74 74 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . . 5707 1 868 . 1 1 74 74 ARG HG3 H 1 1.59 0.02 . 2 . . . . . . . . . 5707 1 869 . 1 1 74 74 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . . 5707 1 870 . 1 1 74 74 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . . 5707 1 871 . 1 1 74 74 ARG HE H 1 7.31 0.02 . 1 . . . . . . . . . 5707 1 872 . 1 1 74 74 ARG C C 13 178.00 0.20 . 1 . . . . . . . . . 5707 1 873 . 1 1 74 74 ARG CA C 13 58.14 0.20 . 1 . . . . . . . . . 5707 1 874 . 1 1 74 74 ARG CB C 13 30.32 0.20 . 1 . . . . . . . . . 5707 1 875 . 1 1 74 74 ARG CG C 13 27.37 0.20 . 1 . . . . . . . . . 5707 1 876 . 1 1 74 74 ARG CD C 13 43.46 0.20 . 1 . . . . . . . . . 5707 1 877 . 1 1 74 74 ARG CZ C 13 159.64 0.20 . 1 . . . . . . . . . 5707 1 878 . 1 1 74 74 ARG N N 15 120.41 0.20 . 1 . . . . . . . . . 5707 1 879 . 1 1 74 74 ARG NE N 15 84.91 0.20 . 1 . . . . . . . . . 5707 1 880 . 1 1 75 75 GLY H H 1 8.56 0.02 . 1 . . . . . . . . . 5707 1 881 . 1 1 75 75 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . . 5707 1 882 . 1 1 75 75 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . . 5707 1 883 . 1 1 75 75 GLY C C 13 175.27 0.20 . 1 . . . . . . . . . 5707 1 884 . 1 1 75 75 GLY CA C 13 46.44 0.20 . 1 . . . . . . . . . 5707 1 885 . 1 1 75 75 GLY N N 15 108.42 0.20 . 1 . . . . . . . . . 5707 1 886 . 1 1 76 76 LEU H H 1 7.80 0.02 . 1 . . . . . . . . . 5707 1 887 . 1 1 76 76 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . . 5707 1 888 . 1 1 76 76 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . . 5707 1 889 . 1 1 76 76 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . . 5707 1 890 . 1 1 76 76 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . . 5707 1 891 . 1 1 76 76 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . . 5707 1 892 . 1 1 76 76 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . . 5707 1 893 . 1 1 76 76 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . . 5707 1 894 . 1 1 76 76 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . . 5707 1 895 . 1 1 76 76 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . . 5707 1 896 . 1 1 76 76 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . . 5707 1 897 . 1 1 76 76 LEU C C 13 178.24 0.20 . 1 . . . . . . . . . 5707 1 898 . 1 1 76 76 LEU CA C 13 56.81 0.20 . 1 . . . . . . . . . 5707 1 899 . 1 1 76 76 LEU CB C 13 42.39 0.20 . 1 . . . . . . . . . 5707 1 900 . 1 1 76 76 LEU CG C 13 27.32 0.20 . 1 . . . . . . . . . 5707 1 901 . 1 1 76 76 LEU CD1 C 13 24.72 0.20 . 2 . . . . . . . . . 5707 1 902 . 1 1 76 76 LEU CD2 C 13 24.52 0.20 . 2 . . . . . . . . . 5707 1 903 . 1 1 76 76 LEU N N 15 122.00 0.20 . 1 . . . . . . . . . 5707 1 904 . 1 1 77 77 LEU H H 1 7.83 0.02 . 1 . . . . . . . . . 5707 1 905 . 1 1 77 77 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . . 5707 1 906 . 1 1 77 77 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . . 5707 1 907 . 1 1 77 77 LEU HB3 H 1 1.65 0.02 . 2 . . . . . . . . . 5707 1 908 . 1 1 77 77 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . . 5707 1 909 . 1 1 77 77 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . . 5707 1 910 . 1 1 77 77 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . . 5707 1 911 . 1 1 77 77 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . . 5707 1 912 . 1 1 77 77 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . . 5707 1 913 . 1 1 77 77 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . . 5707 1 914 . 1 1 77 77 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . . 5707 1 915 . 1 1 77 77 LEU C C 13 178.11 0.20 . 1 . . . . . . . . . 5707 1 916 . 1 1 77 77 LEU CA C 13 56.22 0.20 . 1 . . . . . . . . . 5707 1 917 . 1 1 77 77 LEU CB C 13 41.32 0.20 . 1 . . . . . . . . . 5707 1 918 . 1 1 77 77 LEU CG C 13 27.51 0.20 . 1 . . . . . . . . . 5707 1 919 . 1 1 77 77 LEU CD1 C 13 25.17 0.20 . 2 . . . . . . . . . 5707 1 920 . 1 1 77 77 LEU CD2 C 13 23.58 0.20 . 2 . . . . . . . . . 5707 1 921 . 1 1 77 77 LEU N N 15 118.24 0.20 . 1 . . . . . . . . . 5707 1 922 . 1 1 78 78 LYS H H 1 7.91 0.02 . 1 . . . . . . . . . 5707 1 923 . 1 1 78 78 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . . 5707 1 924 . 1 1 78 78 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . . 5707 1 925 . 1 1 78 78 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . . 5707 1 926 . 1 1 78 78 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . . 5707 1 927 . 1 1 78 78 LYS HG3 H 1 1.44 0.02 . 2 . . . . . . . . . 5707 1 928 . 1 1 78 78 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . . 5707 1 929 . 1 1 78 78 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . . 5707 1 930 . 1 1 78 78 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 931 . 1 1 78 78 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . . 5707 1 932 . 1 1 78 78 LYS C C 13 177.97 0.20 . 1 . . . . . . . . . 5707 1 933 . 1 1 78 78 LYS CA C 13 58.61 0.20 . 1 . . . . . . . . . 5707 1 934 . 1 1 78 78 LYS CB C 13 32.34 0.20 . 1 . . . . . . . . . 5707 1 935 . 1 1 78 78 LYS CG C 13 24.98 0.20 . 1 . . . . . . . . . 5707 1 936 . 1 1 78 78 LYS CD C 13 29.48 0.20 . 1 . . . . . . . . . 5707 1 937 . 1 1 78 78 LYS CE C 13 42.27 0.20 . 1 . . . . . . . . . 5707 1 938 . 1 1 78 78 LYS N N 15 119.46 0.20 . 1 . . . . . . . . . 5707 1 939 . 1 1 79 79 ASP H H 1 8.07 0.02 . 1 . . . . . . . . . 5707 1 940 . 1 1 79 79 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . . 5707 1 941 . 1 1 79 79 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . . 5707 1 942 . 1 1 79 79 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . . 5707 1 943 . 1 1 79 79 ASP C C 13 177.97 0.20 . 1 . . . . . . . . . 5707 1 944 . 1 1 79 79 ASP CA C 13 56.00 0.20 . 1 . . . . . . . . . 5707 1 945 . 1 1 79 79 ASP CB C 13 40.19 0.20 . 1 . . . . . . . . . 5707 1 946 . 1 1 79 79 ASP N N 15 119.13 0.20 . 1 . . . . . . . . . 5707 1 947 . 1 1 80 80 VAL H H 1 8.03 0.02 . 1 . . . . . . . . . 5707 1 948 . 1 1 80 80 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . . 5707 1 949 . 1 1 80 80 VAL HB H 1 2.31 0.02 . 1 . . . . . . . . . 5707 1 950 . 1 1 80 80 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . . 5707 1 951 . 1 1 80 80 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . . 5707 1 952 . 1 1 80 80 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . . 5707 1 953 . 1 1 80 80 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . . 5707 1 954 . 1 1 80 80 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . . 5707 1 955 . 1 1 80 80 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . . 5707 1 956 . 1 1 80 80 VAL C C 13 176.55 0.20 . 1 . . . . . . . . . 5707 1 957 . 1 1 80 80 VAL CA C 13 64.42 0.20 . 1 . . . . . . . . . 5707 1 958 . 1 1 80 80 VAL CB C 13 32.24 0.20 . 1 . . . . . . . . . 5707 1 959 . 1 1 80 80 VAL CG1 C 13 22.15 0.20 . 2 . . . . . . . . . 5707 1 960 . 1 1 80 80 VAL CG2 C 13 21.95 0.20 . 2 . . . . . . . . . 5707 1 961 . 1 1 80 80 VAL N N 15 118.20 0.20 . 1 . . . . . . . . . 5707 1 962 . 1 1 81 81 ALA H H 1 8.05 0.02 . 1 . . . . . . . . . 5707 1 963 . 1 1 81 81 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . . 5707 1 964 . 1 1 81 81 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . . 5707 1 965 . 1 1 81 81 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . . 5707 1 966 . 1 1 81 81 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . . 5707 1 967 . 1 1 81 81 ALA C C 13 177.94 0.20 . 1 . . . . . . . . . 5707 1 968 . 1 1 81 81 ALA CA C 13 53.55 0.20 . 1 . . . . . . . . . 5707 1 969 . 1 1 81 81 ALA CB C 13 19.05 0.20 . 1 . . . . . . . . . 5707 1 970 . 1 1 81 81 ALA N N 15 121.87 0.20 . 1 . . . . . . . . . 5707 1 971 . 1 1 82 82 LYS H H 1 7.61 0.02 . 1 . . . . . . . . . 5707 1 972 . 1 1 82 82 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . . 5707 1 973 . 1 1 82 82 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . . 5707 1 974 . 1 1 82 82 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . . 5707 1 975 . 1 1 82 82 LYS HG2 H 1 1.59 0.02 . 2 . . . . . . . . . 5707 1 976 . 1 1 82 82 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . . 5707 1 977 . 1 1 82 82 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . . 5707 1 978 . 1 1 82 82 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . . 5707 1 979 . 1 1 82 82 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . . 5707 1 980 . 1 1 82 82 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . . 5707 1 981 . 1 1 82 82 LYS C C 13 176.99 0.20 . 1 . . . . . . . . . 5707 1 982 . 1 1 82 82 LYS CA C 13 57.49 0.20 . 1 . . . . . . . . . 5707 1 983 . 1 1 82 82 LYS CB C 13 32.73 0.20 . 1 . . . . . . . . . 5707 1 984 . 1 1 82 82 LYS CG C 13 25.17 0.20 . 1 . . . . . . . . . 5707 1 985 . 1 1 82 82 LYS CD C 13 29.54 0.20 . 1 . . . . . . . . . 5707 1 986 . 1 1 82 82 LYS CE C 13 42.26 0.20 . 1 . . . . . . . . . 5707 1 987 . 1 1 82 82 LYS N N 15 116.13 0.20 . 1 . . . . . . . . . 5707 1 988 . 1 1 83 83 ILE H H 1 7.64 0.02 . 1 . . . . . . . . . 5707 1 989 . 1 1 83 83 ILE HA H 1 4.19 0.02 . 1 . . . . . . . . . 5707 1 990 . 1 1 83 83 ILE HB H 1 1.79 0.02 . 1 . . . . . . . . . 5707 1 991 . 1 1 83 83 ILE HG12 H 1 1.27 0.02 . 2 . . . . . . . . . 5707 1 992 . 1 1 83 83 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . . 5707 1 993 . 1 1 83 83 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . . 5707 1 994 . 1 1 83 83 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . . 5707 1 995 . 1 1 83 83 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . . 5707 1 996 . 1 1 83 83 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . . 5707 1 997 . 1 1 83 83 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . . 5707 1 998 . 1 1 83 83 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . . 5707 1 999 . 1 1 83 83 ILE C C 13 174.92 0.20 . 1 . . . . . . . . . 5707 1 1000 . 1 1 83 83 ILE CA C 13 61.95 0.20 . 1 . . . . . . . . . 5707 1 1001 . 1 1 83 83 ILE CB C 13 39.31 0.20 . 1 . . . . . . . . . 5707 1 1002 . 1 1 83 83 ILE CG1 C 13 27.12 0.20 . 1 . . . . . . . . . 5707 1 1003 . 1 1 83 83 ILE CG2 C 13 17.66 0.20 . 1 . . . . . . . . . 5707 1 1004 . 1 1 83 83 ILE CD1 C 13 13.68 0.20 . 1 . . . . . . . . . 5707 1 1005 . 1 1 83 83 ILE N N 15 116.93 0.20 . 1 . . . . . . . . . 5707 1 1006 . 1 1 84 84 PHE H H 1 7.67 0.02 . 1 . . . . . . . . . 5707 1 1007 . 1 1 84 84 PHE HA H 1 4.55 0.02 . 1 . . . . . . . . . 5707 1 1008 . 1 1 84 84 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . . 5707 1 1009 . 1 1 84 84 PHE HB3 H 1 2.91 0.02 . 2 . . . . . . . . . 5707 1 1010 . 1 1 84 84 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . . 5707 1 1011 . 1 1 84 84 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . . 5707 1 1012 . 1 1 84 84 PHE HE1 H 1 7.15 0.02 . 1 . . . . . . . . . 5707 1 1013 . 1 1 84 84 PHE HE2 H 1 7.15 0.02 . 1 . . . . . . . . . 5707 1 1014 . 1 1 84 84 PHE CA C 13 58.58 0.20 . 1 . . . . . . . . . 5707 1 1015 . 1 1 84 84 PHE CB C 13 40.74 0.20 . 1 . . . . . . . . . 5707 1 1016 . 1 1 84 84 PHE N N 15 125.45 0.20 . 1 . . . . . . . . . 5707 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5707 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 '1H,15N HSQC' . . . 5707 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 ASP H H 1 . . 1 1 2 2 ASP HA H 1 . 6.9 . . 1.0 . . . . . . . . . . . . . 5707 1 2 3JHNHA . 1 1 4 4 HIS H H 1 . . 1 1 4 4 HIS HA H 1 . 7.9 . . 1.0 . . . . . . . . . . . . . 5707 1 3 3JHNHA . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN HA H 1 . 5.6 . . 1.0 . . . . . . . . . . . . . 5707 1 4 3JHNHA . 1 1 7 7 ASP H H 1 . . 1 1 7 7 ASP HA H 1 . 5.8 . . 1.0 . . . . . . . . . . . . . 5707 1 5 3JHNHA . 1 1 8 8 LYS H H 1 . . 1 1 8 8 LYS HA H 1 . 3.7 . . 1.0 . . . . . . . . . . . . . 5707 1 6 3JHNHA . 1 1 9 9 ALA H H 1 . . 1 1 9 9 ALA HA H 1 . 4.0 . . 1.0 . . . . . . . . . . . . . 5707 1 7 3JHNHA . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU HA H 1 . 4.9 . . 1.0 . . . . . . . . . . . . . 5707 1 8 3JHNHA . 1 1 11 11 ARG H H 1 . . 1 1 11 11 ARG HA H 1 . 4.4 . . 1.0 . . . . . . . . . . . . . 5707 1 9 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 4.2 . . 1.0 . . . . . . . . . . . . . 5707 1 10 3JHNHA . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG HA H 1 . 4.0 . . 1.0 . . . . . . . . . . . . . 5707 1 11 3JHNHA . 1 1 14 14 ILE H H 1 . . 1 1 14 14 ILE HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 12 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 4.2 . . 1.0 . . . . . . . . . . . . . 5707 1 13 3JHNHA . 1 1 17 17 ARG H H 1 . . 1 1 17 17 ARG HA H 1 . 5.6 . . 1.0 . . . . . . . . . . . . . 5707 1 14 3JHNHA . 1 1 18 18 PHE H H 1 . . 1 1 18 18 PHE HA H 1 . 6.7 . . 1.0 . . . . . . . . . . . . . 5707 1 15 3JHNHA . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP HA H 1 . 5.7 . . 1.0 . . . . . . . . . . . . . 5707 1 16 3JHNHA . 1 1 20 20 ALA H H 1 . . 1 1 20 20 ALA HA H 1 . 2.4 . . 1.0 . . . . . . . . . . . . . 5707 1 17 3JHNHA . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN HA H 1 . 8.5 . . 1.0 . . . . . . . . . . . . . 5707 1 18 3JHNHA . 1 1 23 23 ASP H H 1 . . 1 1 23 23 ASP HA H 1 . 8.7 . . 1.0 . . . . . . . . . . . . . 5707 1 19 3JHNHA . 1 1 25 25 LYS H H 1 . . 1 1 25 25 LYS HA H 1 . 8.2 . . 1.0 . . . . . . . . . . . . . 5707 1 20 3JHNHA . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE HA H 1 . 8.6 . . 1.0 . . . . . . . . . . . . . 5707 1 21 3JHNHA . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER HA H 1 . 7.2 . . 1.0 . . . . . . . . . . . . . 5707 1 22 3JHNHA . 1 1 28 28 ALA H H 1 . . 1 1 28 28 ALA HA H 1 . 3.1 . . 1.0 . . . . . . . . . . . . . 5707 1 23 3JHNHA . 1 1 30 30 GLU H H 1 . . 1 1 30 30 GLU HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 24 3JHNHA . 1 1 31 31 LEU H H 1 . . 1 1 31 31 LEU HA H 1 . 4.0 . . 1.0 . . . . . . . . . . . . . 5707 1 25 3JHNHA . 1 1 33 33 GLU H H 1 . . 1 1 33 33 GLU HA H 1 . 4.4 . . 1.0 . . . . . . . . . . . . . 5707 1 26 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 27 3JHNHA . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU HA H 1 . 4.7 . . 1.0 . . . . . . . . . . . . . 5707 1 28 3JHNHA . 1 1 36 36 LYS H H 1 . . 1 1 36 36 LYS HA H 1 . 3.8 . . 1.0 . . . . . . . . . . . . . 5707 1 29 3JHNHA . 1 1 37 37 THR H H 1 . . 1 1 37 37 THR HA H 1 . 5.7 . . 1.0 . . . . . . . . . . . . . 5707 1 30 3JHNHA . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU HA H 1 . 7.0 . . 1.0 . . . . . . . . . . . . . 5707 1 31 3JHNHA . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER HA H 1 . 7.1 . . 1.0 . . . . . . . . . . . . . 5707 1 32 3JHNHA . 1 1 41 41 ILE H H 1 . . 1 1 41 41 ILE HA H 1 . 8.1 . . 1.0 . . . . . . . . . . . . . 5707 1 33 3JHNHA . 1 1 42 42 THR H H 1 . . 1 1 42 42 THR HA H 1 . 6.3 . . 1.0 . . . . . . . . . . . . . 5707 1 34 3JHNHA . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU HA H 1 . 6.1 . . 1.0 . . . . . . . . . . . . . 5707 1 35 3JHNHA . 1 1 46 46 VAL H H 1 . . 1 1 46 46 VAL HA H 1 . 4.7 . . 1.0 . . . . . . . . . . . . . 5707 1 36 3JHNHA . 1 1 47 47 LYS H H 1 . . 1 1 47 47 LYS HA H 1 . 3.7 . . 1.0 . . . . . . . . . . . . . 5707 1 37 3JHNHA . 1 1 48 48 HIS H H 1 . . 1 1 48 48 HIS HA H 1 . 4.9 . . 1.0 . . . . . . . . . . . . . 5707 1 38 3JHNHA . 1 1 49 49 MET H H 1 . . 1 1 49 49 MET HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 39 3JHNHA . 1 1 50 50 MET H H 1 . . 1 1 50 50 MET HA H 1 . 3.5 . . 1.0 . . . . . . . . . . . . . 5707 1 40 3JHNHA . 1 1 51 51 ALA H H 1 . . 1 1 51 51 ALA HA H 1 . 3.9 . . 1.0 . . . . . . . . . . . . . 5707 1 41 3JHNHA . 1 1 52 52 GLU H H 1 . . 1 1 52 52 GLU HA H 1 . 6.5 . . 1.0 . . . . . . . . . . . . . 5707 1 42 3JHNHA . 1 1 54 54 ASP H H 1 . . 1 1 54 54 ASP HA H 1 . 5.5 . . 1.0 . . . . . . . . . . . . . 5707 1 43 3JHNHA . 1 1 55 55 THR H H 1 . . 1 1 55 55 THR HA H 1 . 4.7 . . 1.0 . . . . . . . . . . . . . 5707 1 44 3JHNHA . 1 1 56 56 ASP H H 1 . . 1 1 56 56 ASP HA H 1 . 8.4 . . 1.0 . . . . . . . . . . . . . 5707 1 45 3JHNHA . 1 1 58 58 ASP H H 1 . . 1 1 58 58 ASP HA H 1 . 7.9 . . 1.0 . . . . . . . . . . . . . 5707 1 46 3JHNHA . 1 1 60 60 PHE H H 1 . . 1 1 60 60 PHE HA H 1 . 9.3 . . 1.0 . . . . . . . . . . . . . 5707 1 47 3JHNHA . 1 1 61 61 ILE H H 1 . . 1 1 61 61 ILE HA H 1 . 8.3 . . 1.0 . . . . . . . . . . . . . 5707 1 48 3JHNHA . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER HA H 1 . 7.3 . . 1.0 . . . . . . . . . . . . . 5707 1 49 3JHNHA . 1 1 63 63 PHE H H 1 . . 1 1 63 63 PHE HA H 1 . 3.2 . . 1.0 . . . . . . . . . . . . . 5707 1 50 3JHNHA . 1 1 64 64 GLN H H 1 . . 1 1 64 64 GLN HA H 1 . 4.4 . . 1.0 . . . . . . . . . . . . . 5707 1 51 3JHNHA . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU HA H 1 . 4.6 . . 1.0 . . . . . . . . . . . . . 5707 1 52 3JHNHA . 1 1 66 66 PHE H H 1 . . 1 1 66 66 PHE HA H 1 . 4.2 . . 1.0 . . . . . . . . . . . . . 5707 1 53 3JHNHA . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP HA H 1 . 4.1 . . 1.0 . . . . . . . . . . . . . 5707 1 54 3JHNHA . 1 1 69 69 PHE H H 1 . . 1 1 69 69 PHE HA H 1 . 4.8 . . 1.0 . . . . . . . . . . . . . 5707 1 55 3JHNHA . 1 1 71 71 ARG H H 1 . . 1 1 71 71 ARG HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 56 3JHNHA . 1 1 72 72 ALA H H 1 . . 1 1 72 72 ALA HA H 1 . 7.9 . . 1.0 . . . . . . . . . . . . . 5707 1 57 3JHNHA . 1 1 73 73 ASN H H 1 . . 1 1 73 73 ASN HA H 1 . 9.0 . . 1.0 . . . . . . . . . . . . . 5707 1 58 3JHNHA . 1 1 74 74 ARG H H 1 . . 1 1 74 74 ARG HA H 1 . 4.5 . . 1.0 . . . . . . . . . . . . . 5707 1 59 3JHNHA . 1 1 76 76 LEU H H 1 . . 1 1 76 76 LEU HA H 1 . 5.2 . . 1.0 . . . . . . . . . . . . . 5707 1 60 3JHNHA . 1 1 77 77 LEU H H 1 . . 1 1 77 77 LEU HA H 1 . 7.2 . . 1.0 . . . . . . . . . . . . . 5707 1 61 3JHNHA . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS HA H 1 . 4.9 . . 1.0 . . . . . . . . . . . . . 5707 1 62 3JHNHA . 1 1 79 79 ASP H H 1 . . 1 1 79 79 ASP HA H 1 . 6.4 . . 1.0 . . . . . . . . . . . . . 5707 1 63 3JHNHA . 1 1 80 80 VAL H H 1 . . 1 1 80 80 VAL HA H 1 . 6.1 . . 1.0 . . . . . . . . . . . . . 5707 1 64 3JHNHA . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA HA H 1 . 4.6 . . 1.0 . . . . . . . . . . . . . 5707 1 65 3JHNHA . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS HA H 1 . 6.4 . . 1.0 . . . . . . . . . . . . . 5707 1 66 3JHNHA . 1 1 84 84 PHE H H 1 . . 1 1 84 84 PHE HA H 1 . 8.8 . . 1.0 . . . . . . . . . . . . . 5707 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_600 _Heteronucl_NOE_list.Entry_ID 5707 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H,15N HSQC' . . . 5707 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.1380 0.0050 . . . . . . . . . . 5707 1 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.5160 0.0520 . . . . . . . . . . 5707 1 3 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.7460 0.0070 . . . . . . . . . . 5707 1 4 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7150 0.0090 . . . . . . . . . . 5707 1 5 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.7940 0.0250 . . . . . . . . . . 5707 1 6 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7990 0.0070 . . . . . . . . . . 5707 1 7 . 1 1 14 14 ILE N N 15 . 1 1 14 14 ILE H H 1 0.8010 0.0180 . . . . . . . . . . 5707 1 8 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.8060 0.0060 . . . . . . . . . . 5707 1 9 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.7700 0.0130 . . . . . . . . . . 5707 1 10 . 1 1 18 18 PHE N N 15 . 1 1 18 18 PHE H H 1 0.7400 0.0230 . . . . . . . . . . 5707 1 11 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.7750 0.0050 . . . . . . . . . . 5707 1 12 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.7800 0.0040 . . . . . . . . . . 5707 1 13 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.7780 0.0020 . . . . . . . . . . 5707 1 14 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.7720 0.0100 . . . . . . . . . . 5707 1 15 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.7790 0.0660 . . . . . . . . . . 5707 1 16 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.7710 0.0120 . . . . . . . . . . 5707 1 17 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.7900 0.0150 . . . . . . . . . . 5707 1 18 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.7680 0.0080 . . . . . . . . . . 5707 1 19 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.8140 0.0180 . . . . . . . . . . 5707 1 20 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.7850 0.0120 . . . . . . . . . . 5707 1 21 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7600 0.0090 . . . . . . . . . . 5707 1 22 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.7720 0.0200 . . . . . . . . . . 5707 1 23 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.7510 0.0150 . . . . . . . . . . 5707 1 24 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.7880 0.0090 . . . . . . . . . . 5707 1 25 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.7410 0.0070 . . . . . . . . . . 5707 1 26 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.7600 0.0100 . . . . . . . . . . 5707 1 27 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.7220 0.0140 . . . . . . . . . . 5707 1 28 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.6010 0.0070 . . . . . . . . . . 5707 1 29 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.4950 0.0070 . . . . . . . . . . 5707 1 30 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.4710 0.0060 . . . . . . . . . . 5707 1 31 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.6650 0.0060 . . . . . . . . . . 5707 1 32 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.7630 0.0170 . . . . . . . . . . 5707 1 33 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.7520 0.0200 . . . . . . . . . . 5707 1 34 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.7580 0.0080 . . . . . . . . . . 5707 1 35 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.7780 0.0180 . . . . . . . . . . 5707 1 36 . 1 1 52 52 GLU N N 15 . 1 1 52 52 GLU H H 1 0.7530 0.0160 . . . . . . . . . . 5707 1 37 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.7490 0.0190 . . . . . . . . . . 5707 1 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.7670 0.0110 . . . . . . . . . . 5707 1 39 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.7520 0.0150 . . . . . . . . . . 5707 1 40 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.7730 0.0150 . . . . . . . . . . 5707 1 41 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.8150 0.0180 . . . . . . . . . . 5707 1 42 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.8430 0.0090 . . . . . . . . . . 5707 1 43 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.7920 0.0180 . . . . . . . . . . 5707 1 44 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.7990 0.0070 . . . . . . . . . . 5707 1 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.7430 0.0170 . . . . . . . . . . 5707 1 46 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.8540 0.0140 . . . . . . . . . . 5707 1 47 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.8140 0.0020 . . . . . . . . . . 5707 1 48 . 1 1 66 66 PHE N N 15 . 1 1 66 66 PHE H H 1 0.8270 0.0090 . . . . . . . . . . 5707 1 49 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.7430 0.0310 . . . . . . . . . . 5707 1 50 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.7940 0.0200 . . . . . . . . . . 5707 1 51 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.7130 0.0310 . . . . . . . . . . 5707 1 52 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.7560 0.0120 . . . . . . . . . . 5707 1 53 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.7530 0.0400 . . . . . . . . . . 5707 1 54 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7080 0.0480 . . . . . . . . . . 5707 1 55 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.6390 0.0090 . . . . . . . . . . 5707 1 56 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.6990 0.0240 . . . . . . . . . . 5707 1 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.7200 0.0190 . . . . . . . . . . 5707 1 58 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.6780 0.0300 . . . . . . . . . . 5707 1 59 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.7010 0.0130 . . . . . . . . . . 5707 1 60 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.6900 0.0330 . . . . . . . . . . 5707 1 61 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.6680 0.0040 . . . . . . . . . . 5707 1 62 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.7430 0.0380 . . . . . . . . . . 5707 1 63 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.5590 0.0150 . . . . . . . . . . 5707 1 64 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.5270 0.0070 . . . . . . . . . . 5707 1 stop_ save_ save_NOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_750 _Heteronucl_NOE_list.Entry_ID 5707 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H,15N HSQC' . . . 5707 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.2950 0.0010 . . . . . . . . . . 5707 2 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.5500 0.0040 . . . . . . . . . . 5707 2 3 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.7260 0.0150 . . . . . . . . . . 5707 2 4 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.8070 0.0230 . . . . . . . . . . 5707 2 5 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.8150 0.0170 . . . . . . . . . . 5707 2 6 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7870 0.0250 . . . . . . . . . . 5707 2 7 . 1 1 14 14 ILE N N 15 . 1 1 14 14 ILE H H 1 0.8040 0.0390 . . . . . . . . . . 5707 2 8 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.8160 0.0060 . . . . . . . . . . 5707 2 9 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.8390 0.0050 . . . . . . . . . . 5707 2 10 . 1 1 18 18 PHE N N 15 . 1 1 18 18 PHE H H 1 0.7930 0.0040 . . . . . . . . . . 5707 2 11 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.8400 0.0180 . . . . . . . . . . 5707 2 12 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.8080 0.0010 . . . . . . . . . . 5707 2 13 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.8440 0.0040 . . . . . . . . . . 5707 2 14 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.8660 0.0090 . . . . . . . . . . 5707 2 15 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.8300 0.0250 . . . . . . . . . . 5707 2 16 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.8150 0.0080 . . . . . . . . . . 5707 2 17 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.8370 0.0250 . . . . . . . . . . 5707 2 18 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.8370 0.0210 . . . . . . . . . . 5707 2 19 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.8400 0.0060 . . . . . . . . . . 5707 2 20 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.8190 0.0150 . . . . . . . . . . 5707 2 21 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8440 0.0110 . . . . . . . . . . 5707 2 22 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.8300 0.0120 . . . . . . . . . . 5707 2 23 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.7880 0.0080 . . . . . . . . . . 5707 2 24 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.7910 0.0060 . . . . . . . . . . 5707 2 25 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.8100 0.0240 . . . . . . . . . . 5707 2 26 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.8090 0.0140 . . . . . . . . . . 5707 2 27 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.7360 0.0090 . . . . . . . . . . 5707 2 28 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.6610 0.0010 . . . . . . . . . . 5707 2 29 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.5700 0.0000 . . . . . . . . . . 5707 2 30 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.5500 0.0100 . . . . . . . . . . 5707 2 31 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.6550 0.0010 . . . . . . . . . . 5707 2 32 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.7770 0.0120 . . . . . . . . . . 5707 2 33 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.7960 0.0130 . . . . . . . . . . 5707 2 34 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.8020 0.0070 . . . . . . . . . . 5707 2 35 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.8320 0.0110 . . . . . . . . . . 5707 2 36 . 1 1 52 52 GLU N N 15 . 1 1 52 52 GLU H H 1 0.8240 0.0010 . . . . . . . . . . 5707 2 37 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.8180 0.0100 . . . . . . . . . . 5707 2 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8430 0.0060 . . . . . . . . . . 5707 2 39 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.8400 0.0020 . . . . . . . . . . 5707 2 40 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.8410 0.0070 . . . . . . . . . . 5707 2 41 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.8520 0.0010 . . . . . . . . . . 5707 2 42 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.8380 0.0220 . . . . . . . . . . 5707 2 43 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.8090 0.0220 . . . . . . . . . . 5707 2 44 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.8000 0.0100 . . . . . . . . . . 5707 2 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.8160 0.0120 . . . . . . . . . . 5707 2 46 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7870 0.0320 . . . . . . . . . . 5707 2 47 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.8540 0.0190 . . . . . . . . . . 5707 2 48 . 1 1 66 66 PHE N N 15 . 1 1 66 66 PHE H H 1 0.8580 0.0080 . . . . . . . . . . 5707 2 49 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.8020 0.0070 . . . . . . . . . . 5707 2 50 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.8200 0.0110 . . . . . . . . . . 5707 2 51 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.8240 0.0050 . . . . . . . . . . 5707 2 52 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.8710 0.0020 . . . . . . . . . . 5707 2 53 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.7420 0.0260 . . . . . . . . . . 5707 2 54 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7570 0.0050 . . . . . . . . . . 5707 2 55 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.7420 0.0150 . . . . . . . . . . 5707 2 56 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.7590 0.0210 . . . . . . . . . . 5707 2 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.7310 0.0050 . . . . . . . . . . 5707 2 58 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.7460 0.0240 . . . . . . . . . . 5707 2 59 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.7090 0.0010 . . . . . . . . . . 5707 2 60 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.7010 0.0290 . . . . . . . . . . 5707 2 61 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.7130 0.0070 . . . . . . . . . . 5707 2 62 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.7050 0.0200 . . . . . . . . . . 5707 2 63 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.6260 0.0120 . . . . . . . . . . 5707 2 64 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.6530 0.0120 . . . . . . . . . . 5707 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_600 _Heteronucl_T1_list.Entry_ID 5707 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '1H,15N HSQC' . . . 5707 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 HIS N N 15 0.6340 0.0032 . . . . . 5707 1 2 . 1 1 6 6 GLN N N 15 0.5534 0.0110 . . . . . 5707 1 3 . 1 1 9 9 ALA N N 15 0.5475 0.0026 . . . . . 5707 1 4 . 1 1 10 10 GLU N N 15 0.5387 0.0035 . . . . . 5707 1 5 . 1 1 11 11 ARG N N 15 0.5475 0.0028 . . . . . 5707 1 6 . 1 1 12 12 GLU N N 15 0.5472 0.0032 . . . . . 5707 1 7 . 1 1 14 14 ILE N N 15 0.5344 0.0041 . . . . . 5707 1 8 . 1 1 16 16 LYS N N 15 0.5458 0.0041 . . . . . 5707 1 9 . 1 1 17 17 ARG N N 15 0.5511 0.0021 . . . . . 5707 1 10 . 1 1 18 18 PHE N N 15 0.5269 0.0114 . . . . . 5707 1 11 . 1 1 20 20 ALA N N 15 0.5579 0.0023 . . . . . 5707 1 12 . 1 1 21 21 ASN N N 15 0.5366 0.0015 . . . . . 5707 1 13 . 1 1 22 22 GLY N N 15 0.5422 0.0029 . . . . . 5707 1 14 . 1 1 23 23 ASP N N 15 0.5433 0.0041 . . . . . 5707 1 15 . 1 1 24 24 GLY N N 15 0.5254 0.0079 . . . . . 5707 1 16 . 1 1 25 25 LYS N N 15 0.5270 0.0027 . . . . . 5707 1 17 . 1 1 26 26 ILE N N 15 0.5315 0.0046 . . . . . 5707 1 18 . 1 1 27 27 SER N N 15 0.5124 0.0041 . . . . . 5707 1 19 . 1 1 28 28 ALA N N 15 0.5208 0.0033 . . . . . 5707 1 20 . 1 1 30 30 GLU N N 15 0.5334 0.0020 . . . . . 5707 1 21 . 1 1 31 31 LEU N N 15 0.5087 0.0038 . . . . . 5707 1 22 . 1 1 32 32 GLY N N 15 0.5120 0.0018 . . . . . 5707 1 23 . 1 1 34 34 ALA N N 15 0.5179 0.0040 . . . . . 5707 1 24 . 1 1 35 35 LEU N N 15 0.5365 0.0032 . . . . . 5707 1 25 . 1 1 36 36 LYS N N 15 0.5183 0.0034 . . . . . 5707 1 26 . 1 1 37 37 THR N N 15 0.5356 0.0035 . . . . . 5707 1 27 . 1 1 38 38 LEU N N 15 0.5362 0.0028 . . . . . 5707 1 28 . 1 1 39 39 GLY N N 15 0.5867 0.0022 . . . . . 5707 1 29 . 1 1 40 40 SER N N 15 0.6286 0.0040 . . . . . 5707 1 30 . 1 1 41 41 ILE N N 15 0.6161 0.0027 . . . . . 5707 1 31 . 1 1 42 42 THR N N 15 0.5677 0.0037 . . . . . 5707 1 32 . 1 1 45 45 GLU N N 15 0.5626 0.0029 . . . . . 5707 1 33 . 1 1 48 48 HIS N N 15 0.5260 0.0018 . . . . . 5707 1 34 . 1 1 50 50 MET N N 15 0.5359 0.0026 . . . . . 5707 1 35 . 1 1 51 51 ALA N N 15 0.5327 0.0030 . . . . . 5707 1 36 . 1 1 52 52 GLU N N 15 0.5454 0.0029 . . . . . 5707 1 37 . 1 1 53 53 ILE N N 15 0.5617 0.0026 . . . . . 5707 1 38 . 1 1 54 54 ASP N N 15 0.5373 0.0045 . . . . . 5707 1 39 . 1 1 56 56 ASP N N 15 0.5191 0.0029 . . . . . 5707 1 40 . 1 1 57 57 GLY N N 15 0.5851 0.0046 . . . . . 5707 1 41 . 1 1 58 58 ASP N N 15 0.5507 0.0022 . . . . . 5707 1 42 . 1 1 59 59 GLY N N 15 0.5080 0.0059 . . . . . 5707 1 43 . 1 1 60 60 PHE N N 15 0.5290 0.0030 . . . . . 5707 1 44 . 1 1 61 61 ILE N N 15 0.5371 0.0055 . . . . . 5707 1 45 . 1 1 62 62 SER N N 15 0.5049 0.0062 . . . . . 5707 1 46 . 1 1 63 63 PHE N N 15 0.5135 0.0077 . . . . . 5707 1 47 . 1 1 64 64 GLN N N 15 0.5137 0.0044 . . . . . 5707 1 48 . 1 1 66 66 PHE N N 15 0.4891 0.0036 . . . . . 5707 1 49 . 1 1 68 68 ASP N N 15 0.4686 0.0069 . . . . . 5707 1 50 . 1 1 69 69 PHE N N 15 0.5053 0.0026 . . . . . 5707 1 51 . 1 1 70 70 GLY N N 15 0.5093 0.0105 . . . . . 5707 1 52 . 1 1 71 71 ARG N N 15 0.5208 0.0076 . . . . . 5707 1 53 . 1 1 72 72 ALA N N 15 0.5341 0.0087 . . . . . 5707 1 54 . 1 1 73 73 ASN N N 15 0.5263 0.0086 . . . . . 5707 1 55 . 1 1 74 74 ARG N N 15 0.5433 0.0035 . . . . . 5707 1 56 . 1 1 75 75 GLY N N 15 0.5211 0.0043 . . . . . 5707 1 57 . 1 1 76 76 LEU N N 15 0.5074 0.0056 . . . . . 5707 1 58 . 1 1 77 77 LEU N N 15 0.5273 0.0041 . . . . . 5707 1 59 . 1 1 78 78 LYS N N 15 0.5267 0.0041 . . . . . 5707 1 60 . 1 1 80 80 VAL N N 15 0.5336 0.0047 . . . . . 5707 1 61 . 1 1 81 81 ALA N N 15 0.5304 0.0042 . . . . . 5707 1 62 . 1 1 82 82 LYS N N 15 0.5627 0.0081 . . . . . 5707 1 63 . 1 1 83 83 ILE N N 15 0.5428 0.0027 . . . . . 5707 1 64 . 1 1 84 84 PHE N N 15 0.5674 0.0044 . . . . . 5707 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_600 _Heteronucl_T2_list.Entry_ID 5707 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '1H,15N HSQC' . . . 5707 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 HIS N N 15 0.1968 0.0011 . . . . . . . 5707 1 2 . 1 1 6 6 GLN N N 15 0.1563 0.0017 . . . . . . . 5707 1 3 . 1 1 9 9 ALA N N 15 0.1236 0.0010 . . . . . . . 5707 1 4 . 1 1 10 10 GLU N N 15 0.1234 0.0007 . . . . . . . 5707 1 5 . 1 1 11 11 ARG N N 15 0.1193 0.0008 . . . . . . . 5707 1 6 . 1 1 12 12 GLU N N 15 0.1190 0.0008 . . . . . . . 5707 1 7 . 1 1 14 14 ILE N N 15 0.1192 0.0010 . . . . . . . 5707 1 8 . 1 1 16 16 LYS N N 15 0.1136 0.0014 . . . . . . . 5707 1 9 . 1 1 17 17 ARG N N 15 0.1232 0.0008 . . . . . . . 5707 1 10 . 1 1 18 18 PHE N N 15 0.1018 0.0018 . . . . . . . 5707 1 11 . 1 1 20 20 ALA N N 15 0.1375 0.0012 . . . . . . . 5707 1 12 . 1 1 21 21 ASN N N 15 0.1245 0.0018 . . . . . . . 5707 1 13 . 1 1 22 22 GLY N N 15 0.1316 0.0009 . . . . . . . 5707 1 14 . 1 1 23 23 ASP N N 15 0.1239 0.0012 . . . . . . . 5707 1 15 . 1 1 24 24 GLY N N 15 0.1313 0.0035 . . . . . . . 5707 1 16 . 1 1 25 25 LYS N N 15 0.1251 0.0006 . . . . . . . 5707 1 17 . 1 1 26 26 ILE N N 15 0.1379 0.0010 . . . . . . . 5707 1 18 . 1 1 27 27 SER N N 15 0.1310 0.0013 . . . . . . . 5707 1 19 . 1 1 28 28 ALA N N 15 0.1269 0.0011 . . . . . . . 5707 1 20 . 1 1 30 30 GLU N N 15 0.1277 0.0012 . . . . . . . 5707 1 21 . 1 1 31 31 LEU N N 15 0.1261 0.0008 . . . . . . . 5707 1 22 . 1 1 32 32 GLY N N 15 0.1282 0.0012 . . . . . . . 5707 1 23 . 1 1 34 34 ALA N N 15 0.1187 0.0011 . . . . . . . 5707 1 24 . 1 1 35 35 LEU N N 15 0.1163 0.0008 . . . . . . . 5707 1 25 . 1 1 36 36 LYS N N 15 0.1249 0.0010 . . . . . . . 5707 1 26 . 1 1 37 37 THR N N 15 0.1172 0.0011 . . . . . . . 5707 1 27 . 1 1 38 38 LEU N N 15 0.1286 0.0014 . . . . . . . 5707 1 28 . 1 1 39 39 GLY N N 15 0.1812 0.0042 . . . . . . . 5707 1 29 . 1 1 40 40 SER N N 15 0.1644 0.0013 . . . . . . . 5707 1 30 . 1 1 41 41 ILE N N 15 0.1638 0.0012 . . . . . . . 5707 1 31 . 1 1 42 42 THR N N 15 0.1243 0.0012 . . . . . . . 5707 1 32 . 1 1 45 45 GLU N N 15 0.1291 0.0008 . . . . . . . 5707 1 33 . 1 1 48 48 HIS N N 15 0.1301 0.0007 . . . . . . . 5707 1 34 . 1 1 50 50 MET N N 15 0.1213 0.0009 . . . . . . . 5707 1 35 . 1 1 51 51 ALA N N 15 0.1237 0.0011 . . . . . . . 5707 1 36 . 1 1 52 52 GLU N N 15 0.1183 0.0010 . . . . . . . 5707 1 37 . 1 1 53 53 ILE N N 15 0.1215 0.0011 . . . . . . . 5707 1 38 . 1 1 54 54 ASP N N 15 0.1223 0.0011 . . . . . . . 5707 1 39 . 1 1 56 56 ASP N N 15 0.1286 0.0007 . . . . . . . 5707 1 40 . 1 1 57 57 GLY N N 15 0.1297 0.0012 . . . . . . . 5707 1 41 . 1 1 58 58 ASP N N 15 0.1174 0.0010 . . . . . . . 5707 1 42 . 1 1 59 59 GLY N N 15 0.1235 0.0017 . . . . . . . 5707 1 43 . 1 1 60 60 PHE N N 15 0.1263 0.0008 . . . . . . . 5707 1 44 . 1 1 61 61 ILE N N 15 0.1371 0.0014 . . . . . . . 5707 1 45 . 1 1 62 62 SER N N 15 0.1299 0.0009 . . . . . . . 5707 1 46 . 1 1 63 63 PHE N N 15 0.1305 0.0015 . . . . . . . 5707 1 47 . 1 1 64 64 GLN N N 15 0.1165 0.0012 . . . . . . . 5707 1 48 . 1 1 66 66 PHE N N 15 0.1223 0.0012 . . . . . . . 5707 1 49 . 1 1 68 68 ASP N N 15 0.1225 0.0014 . . . . . . . 5707 1 50 . 1 1 69 69 PHE N N 15 0.1184 0.0011 . . . . . . . 5707 1 51 . 1 1 70 70 GLY N N 15 0.1180 0.0022 . . . . . . . 5707 1 52 . 1 1 71 71 ARG N N 15 0.1204 0.0016 . . . . . . . 5707 1 53 . 1 1 72 72 ALA N N 15 0.1122 0.0018 . . . . . . . 5707 1 54 . 1 1 73 73 ASN N N 15 0.1022 0.0021 . . . . . . . 5707 1 55 . 1 1 74 74 ARG N N 15 0.1263 0.0013 . . . . . . . 5707 1 56 . 1 1 75 75 GLY N N 15 0.1418 0.0019 . . . . . . . 5707 1 57 . 1 1 76 76 LEU N N 15 0.1253 0.0017 . . . . . . . 5707 1 58 . 1 1 77 77 LEU N N 15 0.1189 0.0013 . . . . . . . 5707 1 59 . 1 1 78 78 LYS N N 15 0.1268 0.0007 . . . . . . . 5707 1 60 . 1 1 80 80 VAL N N 15 0.1214 0.0009 . . . . . . . 5707 1 61 . 1 1 81 81 ALA N N 15 0.1144 0.0009 . . . . . . . 5707 1 62 . 1 1 82 82 LYS N N 15 0.0973 0.0017 . . . . . . . 5707 1 63 . 1 1 83 83 ILE N N 15 0.1137 0.0011 . . . . . . . 5707 1 64 . 1 1 84 84 PHE N N 15 0.1569 0.0016 . . . . . . . 5707 1 stop_ save_ save_T2_750 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_750 _Heteronucl_T2_list.Entry_ID 5707 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $cond_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '1H,15N HSQC' . . . 5707 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 HIS N N 15 0.2041 0.0005 . . . . . . . 5707 2 2 . 1 1 6 6 GLN N N 15 0.1618 0.0008 . . . . . . . 5707 2 3 . 1 1 9 9 ALA N N 15 0.1365 0.0009 . . . . . . . 5707 2 4 . 1 1 10 10 GLU N N 15 0.1232 0.0018 . . . . . . . 5707 2 5 . 1 1 11 11 ARG N N 15 0.1153 0.0004 . . . . . . . 5707 2 6 . 1 1 12 12 GLU N N 15 0.1155 0.0005 . . . . . . . 5707 2 7 . 1 1 14 14 ILE N N 15 0.1204 0.0005 . . . . . . . 5707 2 8 . 1 1 16 16 LYS N N 15 0.1169 0.0005 . . . . . . . 5707 2 9 . 1 1 17 17 ARG N N 15 0.1200 0.0010 . . . . . . . 5707 2 10 . 1 1 18 18 PHE N N 15 0.0948 0.0015 . . . . . . . 5707 2 11 . 1 1 20 20 ALA N N 15 0.1501 0.0019 . . . . . . . 5707 2 12 . 1 1 21 21 ASN N N 15 0.1378 0.0008 . . . . . . . 5707 2 13 . 1 1 22 22 GLY N N 15 0.1298 0.0010 . . . . . . . 5707 2 14 . 1 1 23 23 ASP N N 15 0.1212 0.0009 . . . . . . . 5707 2 15 . 1 1 24 24 GLY N N 15 0.1297 0.0011 . . . . . . . 5707 2 16 . 1 1 25 25 LYS N N 15 0.1229 0.0004 . . . . . . . 5707 2 17 . 1 1 26 26 ILE N N 15 0.0961 0.0012 . . . . . . . 5707 2 18 . 1 1 27 27 SER N N 15 0.0966 0.0010 . . . . . . . 5707 2 19 . 1 1 28 28 ALA N N 15 0.1118 0.0044 . . . . . . . 5707 2 20 . 1 1 30 30 GLU N N 15 0.1307 0.0006 . . . . . . . 5707 2 21 . 1 1 31 31 LEU N N 15 0.1298 0.0006 . . . . . . . 5707 2 22 . 1 1 32 32 GLY N N 15 0.1275 0.0007 . . . . . . . 5707 2 23 . 1 1 34 34 ALA N N 15 0.1293 0.0006 . . . . . . . 5707 2 24 . 1 1 35 35 LEU N N 15 0.1188 0.0004 . . . . . . . 5707 2 25 . 1 1 36 36 LYS N N 15 0.1282 0.0007 . . . . . . . 5707 2 26 . 1 1 37 37 THR N N 15 0.1213 0.0005 . . . . . . . 5707 2 27 . 1 1 38 38 LEU N N 15 0.1399 0.0010 . . . . . . . 5707 2 28 . 1 1 39 39 GLY N N 15 0.1251 0.0005 . . . . . . . 5707 2 29 . 1 1 40 40 SER N N 15 0.1605 0.0009 . . . . . . . 5707 2 30 . 1 1 41 41 ILE N N 15 0.1373 0.0051 . . . . . . . 5707 2 31 . 1 1 42 42 THR N N 15 0.1222 0.0007 . . . . . . . 5707 2 32 . 1 1 45 45 GLU N N 15 0.1368 0.0007 . . . . . . . 5707 2 33 . 1 1 48 48 HIS N N 15 0.1252 0.0007 . . . . . . . 5707 2 34 . 1 1 50 50 MET N N 15 0.1202 0.0004 . . . . . . . 5707 2 35 . 1 1 51 51 ALA N N 15 0.1199 0.0011 . . . . . . . 5707 2 36 . 1 1 52 52 GLU N N 15 0.1254 0.0008 . . . . . . . 5707 2 37 . 1 1 53 53 ILE N N 15 0.1252 0.0011 . . . . . . . 5707 2 38 . 1 1 54 54 ASP N N 15 0.1191 0.0006 . . . . . . . 5707 2 39 . 1 1 56 56 ASP N N 15 0.1246 0.0006 . . . . . . . 5707 2 40 . 1 1 57 57 GLY N N 15 0.1288 0.0005 . . . . . . . 5707 2 41 . 1 1 58 58 ASP N N 15 0.1251 0.0012 . . . . . . . 5707 2 42 . 1 1 59 59 GLY N N 15 0.1315 0.0009 . . . . . . . 5707 2 43 . 1 1 60 60 PHE N N 15 0.1274 0.0008 . . . . . . . 5707 2 44 . 1 1 61 61 ILE N N 15 0.1077 0.0006 . . . . . . . 5707 2 45 . 1 1 62 62 SER N N 15 0.0949 0.0010 . . . . . . . 5707 2 46 . 1 1 63 63 PHE N N 15 0.1269 0.0011 . . . . . . . 5707 2 47 . 1 1 64 64 GLN N N 15 0.1224 0.0014 . . . . . . . 5707 2 48 . 1 1 66 66 PHE N N 15 0.1235 0.0005 . . . . . . . 5707 2 49 . 1 1 68 68 ASP N N 15 0.1290 0.0023 . . . . . . . 5707 2 50 . 1 1 69 69 PHE N N 15 0.1280 0.0010 . . . . . . . 5707 2 51 . 1 1 70 70 GLY N N 15 0.0925 0.0012 . . . . . . . 5707 2 52 . 1 1 71 71 ARG N N 15 0.1208 0.0015 . . . . . . . 5707 2 53 . 1 1 72 72 ALA N N 15 0.1057 0.0014 . . . . . . . 5707 2 54 . 1 1 73 73 ASN N N 15 0.0997 0.0019 . . . . . . . 5707 2 55 . 1 1 74 74 ARG N N 15 0.1405 0.0016 . . . . . . . 5707 2 56 . 1 1 75 75 GLY N N 15 0.1199 0.0010 . . . . . . . 5707 2 57 . 1 1 76 76 LEU N N 15 0.1263 0.0010 . . . . . . . 5707 2 58 . 1 1 77 77 LEU N N 15 0.1123 0.0009 . . . . . . . 5707 2 59 . 1 1 78 78 LYS N N 15 0.1253 0.0005 . . . . . . . 5707 2 60 . 1 1 80 80 VAL N N 15 0.1142 0.0009 . . . . . . . 5707 2 61 . 1 1 81 81 ALA N N 15 0.1092 0.0004 . . . . . . . 5707 2 62 . 1 1 82 82 LYS N N 15 0.0911 0.0011 . . . . . . . 5707 2 63 . 1 1 83 83 ILE N N 15 0.1102 0.0006 . . . . . . . 5707 2 64 . 1 1 84 84 PHE N N 15 0.0969 0.0011 . . . . . . . 5707 2 stop_ save_