data_5198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5198 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for v107 in complex with vascular endothelial growth factor ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-11-02 _Entry.Accession_date 2001-11-02 _Entry.Last_release_date 2002-05-07 _Entry.Original_release_date 2002-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Borlan Pan . . . 5198 2 Bing Li . . . 5198 3 Stephen Russell . J. . 5198 4 Jeffrey Tom . Y.K. . 5198 5 Andrea Cochran . G. . 5198 6 Wayne Fairbrother . J. . 5198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 122 5198 '13C chemical shifts' 82 5198 '15N chemical shifts' 18 5198 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-05-07 2001-11-02 original author . 5198 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5185 'Assignments for vascular endothelial growth factor in complex with v107' 5198 BMRB 5186 'Assignments for vascular endothelial growth factor in free form' 5198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21856773 _Citation.DOI . _Citation.PubMed_ID 11866530 _Citation.Full_citation . _Citation.Title ; Solution Structure of a Phage-derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 316 _Citation.Journal_issue 3 _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 769 _Citation.Page_last 787 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Borlan Pan . . . 5198 1 2 Bing Li . . . 5198 1 3 Stephen Russell . J. . 5198 1 4 Jeffrey Tom . Y.K. . 5198 1 5 Andrea Cochran . G. . 5198 1 6 Wayne Fairbrother . J. . 5198 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'vascular endothelial growth factor' 5198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VEGF_v107 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VEGF_v107 _Assembly.Entry_ID 5198 _Assembly.ID 1 _Assembly.Name 'peptide v107 in complex with vascular endothelial growth factor receptor-binding domain dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _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 dimer 5198 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 'VEGF subunit 1' 2 $VEGF . . . native . . 1 . . 5198 1 2 'VEGF subunit 2' 2 $VEGF . . . native . . 1 . . 5198 1 3 'v107 subunit 1' 1 $v107 . . . native . . 2 . . 5198 1 4 'v107 subunit 2' 1 $v107 . . . native . . 2 . . 5198 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 16 16 SG . 1 . 2 CYS 58 58 SG . . . . . . . . . . 5198 1 2 disulfide single . 1 . . CYS 47 47 SG . 1 . 2 CYS 92 92 SG . . . . . . . . . . 5198 1 3 disulfide single . 1 . . CYS 51 51 SG . 1 . 2 CYS 94 94 SG . . . . . . . . . . 5198 1 4 disulfide single . 1 . . CYS 41 41 SG . 2 . 2 CYS 50 50 SG . . . . . . . . . . 5198 1 5 disulfide single . 2 . . CYS 16 16 SG . 2 . 2 CYS 58 58 SG . . . . . . . . . . 5198 1 6 disulfide single . 2 . . CYS 47 47 SG . 2 . 2 CYS 92 92 SG . . . . . . . . . . 5198 1 7 disulfide single . 2 . . CYS 51 51 SG . 2 . 2 CYS 94 94 SG . . . . . . . . . . 5198 1 8 disulfide single . 2 . . CYS 41 41 SG . 1 . 2 CYS 50 50 SG . . . . . . . . . . 5198 1 9 disulfide single . 3 . . CYS 5 5 SG . 3 . 1 CYS 15 15 SG . . . . . . . . . . 5198 1 10 disulfide single . 4 . . CYS 5 5 SG . 4 . 1 CYS 15 15 SG . . . . . . . . . . 5198 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'peptide v107 in complex with vascular endothelial growth factor receptor-binding domain dimer' system 5198 1 VEGF/v107 abbreviation 5198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_v107 _Entity.Sf_category entity _Entity.Sf_framecode v107 _Entity.Entry_ID 5198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'v107 peptide' _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 GGNECDIARMWEWECFERL _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2343.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5186 . VEGF . . . . . 100.00 99 100.00 100.00 5.41e-66 . . . . 5198 1 2 no PDB 1BJ1 . "Vascular Endothelial Growth Factor In Complex With A Neutralizing Antibody" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 3 no PDB 1CZ8 . "Vascular Endothelial Growth Factor In Complex With An Affinity Matured Antibody" . . . . . 94.95 94 100.00 100.00 5.27e-62 . . . . 5198 1 4 no PDB 1FLT . "Vegf In Complex With Domain 2 Of The Flt-1 Receptor" . . . . . 98.99 98 100.00 100.00 4.65e-65 . . . . 5198 1 5 no PDB 1KAT . "Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor" . . . . . 100.00 99 100.00 100.00 5.41e-66 . . . . 5198 1 6 no PDB 1MJV . "Disulfide Deficient Mutant Of Vascular Endothelial Growth Factor A (C51a And C60a)" . . . . . 95.96 96 97.89 97.89 2.26e-61 . . . . 5198 1 7 no PDB 1MKG . "Disulfide Deficient Mutant Of Vascular Endothelial Growth Factor A (C57a And C102a)" . . . . . 95.96 96 97.89 97.89 2.26e-61 . . . . 5198 1 8 no PDB 1MKK . "Disulfide Deficient Mutant Of Vascular Endothelial Growth Factor A (C61a And C104a)" . . . . . 95.96 96 97.89 97.89 2.26e-61 . . . . 5198 1 9 no PDB 1QTY . "Vascular Endothelial Growth Factor In Complex With Domain 2 Of The Flt-1 Receptor" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 10 no PDB 1TZH . "Crystal Structure Of The Fab Yads1 Complexed With H-Vegf" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 11 no PDB 1TZI . "Crystal Structure Of The Fab Yads2 Complexed With H-Vegf" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 12 no PDB 1VPF . "Structure Of Human Vascular Endothelial Growth Factor" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 13 no PDB 1VPP . "Complex Between Vegf And A Receptor Blocking Peptide" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 14 no PDB 2FJG . "Structure Of The G6 Fab, A Phage Derived Fab Fragment, In Complex With Vegf" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 15 no PDB 2FJH . "Structure Of The B20-4 Fab, A Phage Derived Fab Fragment, In Complex With Vegf" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 16 no PDB 2QR0 . "Structure Of Vegf Complexed To A Fab Containing Tyr And Ser In The Cdrs" . . . . . 97.98 97 100.00 100.00 3.66e-64 . . . . 5198 1 17 no PDB 2VPF . "Vascular Endothelial Growth Factor Refined To 1.93 Angstroms Resolution" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 18 no PDB 3BDY . "Dual Specific Bh1 Fab In Complex With Vegf" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 19 no PDB 3P9W . "Crystal Structure Of An Engineered Human Autonomous Vh Domain In Complex With Vegf" . . . . . 100.00 106 100.00 100.00 3.06e-66 . . . . 5198 1 20 no PDB 3QTK . "The Crystal Structure Of Chemically Synthesized Vegf-A" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 21 no PDB 3S1B . "The Development Of Peptide-Based Tools For The Analysis Of Angiogenesis" . . . . . 96.97 96 100.00 100.00 1.71e-63 . . . . 5198 1 22 no PDB 3S1K . "The Development Of Peptide-Based Tools For The Analysis Of Angiogenesis" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 23 no PDB 3V2A . "Vegfr-2VEGF-A Complex Structure" . . . . . 100.00 134 100.00 100.00 5.35e-66 . . . . 5198 1 24 no PDB 4GLN . "Crystal Structure Of Chemically Synthesized Heterochiral {d-protein Antagonist Plus Vegf-a} Protein Complex In Space Group P21/" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 25 no PDB 4GLS . "Crystal Structure Of Chemically Synthesized Heterochiral {d-protein Antagonist Plus Vegf-a} Protein Complex In Space Group P21" . . . . . 100.00 102 100.00 100.00 5.80e-66 . . . . 5198 1 26 no PDB 4KZN . "Crystal Structure Of Human Vegf-a Receptor Binding Domain" . . . . . 100.00 104 100.00 100.00 7.51e-66 . . . . 5198 1 27 no DBJ BAA78418 . "vascular endothelial growth factor isoform VEGF165 [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 28 no DBJ BAB68520 . "vascular endothelial growth factor [Felis catus]" . . . . . 98.99 189 96.94 97.96 2.79e-62 . . . . 5198 1 29 no DBJ BAD92722 . "vascular endothelial growth factor variant [Homo sapiens]" . . . . . 98.99 148 98.98 98.98 5.85e-65 . . . . 5198 1 30 no DBJ BAG70136 . "vascular endothelial growth factor isoform VEGF165 [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 31 no DBJ BAG70265 . "vascular endothelial growth factor isoform VEGF165 [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 32 no EMBL CAA09179 . "VEGF183 protein [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 3.19e-66 . . . . 5198 1 33 no EMBL CAA44447 . "vascular endothelial growth factor [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 34 no EMBL CAA57143 . "unnamed protein product [Sus scrofa]" . . . . . 98.99 190 97.96 97.96 5.28e-63 . . . . 5198 1 35 no EMBL CAB82426 . "vascular endothelial growth factor 188 [Canis lupus familiaris]" . . . . . 98.99 214 96.94 97.96 2.18e-62 . . . . 5198 1 36 no EMBL CAC19923 . "vascular endothelial growth factor [Callithrix jacchus]" . . . . . 95.96 124 98.95 98.95 2.11e-61 . . . . 5198 1 37 no GB AAA35789 . "vascular endothelial growth factor [Homo sapiens]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 38 no GB AAA36804 . "vascular endothelial growth factor [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 2.28e-66 . . . . 5198 1 39 no GB AAA36807 . "vascular permeability factor precursor [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 2.28e-66 . . . . 5198 1 40 no GB AAB47118 . "simVEGF165 [Macaca fascicularis]" . . . . . 100.00 191 100.00 100.00 6.51e-66 . . . . 5198 1 41 no GB AAC63102 . "vascular endothelial growth factor [Homo sapiens]" . . . . . 100.00 254 100.00 100.00 9.73e-66 . . . . 5198 1 42 no PRF 2105202A . "vascular endothelial growth factor" . . . . . 98.99 190 97.96 97.96 5.28e-63 . . . . 5198 1 43 no REF NP_001003175 . "vascular endothelial growth factor A isoform 1 precursor [Canis lupus familiaris]" . . . . . 98.99 214 96.94 97.96 2.18e-62 . . . . 5198 1 44 no REF NP_001009854 . "vascular endothelial growth factor A precursor [Felis catus]" . . . . . 98.99 189 96.94 97.96 2.79e-62 . . . . 5198 1 45 no REF NP_001020537 . "vascular endothelial growth factor A isoform a [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 9.44e-66 . . . . 5198 1 46 no REF NP_001020538 . "vascular endothelial growth factor A isoform c [Homo sapiens]" . . . . . 100.00 389 100.00 100.00 5.62e-66 . . . . 5198 1 47 no REF NP_001020539 . "vascular endothelial growth factor A isoform d [Homo sapiens]" . . . . . 100.00 371 100.00 100.00 8.37e-66 . . . . 5198 1 48 no SP P15692 . "RecName: Full=Vascular endothelial growth factor A; Short=VEGF-A; AltName: Full=Vascular permeability factor; Short=VPF; Flags:" . . . . . 100.00 232 100.00 100.00 8.37e-66 . . . . 5198 1 49 no SP P49151 . "RecName: Full=Vascular endothelial growth factor A; Short=VEGF-A; AltName: Full=Vascular permeability factor; Short=VPF; Flags:" . . . . . 98.99 190 97.96 97.96 5.28e-63 . . . . 5198 1 50 no SP Q9MYV3 . "RecName: Full=Vascular endothelial growth factor A; Short=VEGF-A; AltName: Full=Vascular permeability factor; Short=VPF; Flags:" . . . . . 98.99 214 96.94 97.96 2.18e-62 . . . . 5198 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'v107 peptide' common 5198 1 v107 variant 5198 1 v107 abbreviation 5198 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5198 1 2 . GLY . 5198 1 3 . ASN . 5198 1 4 . GLU . 5198 1 5 . CYS . 5198 1 6 . ASP . 5198 1 7 . ILE . 5198 1 8 . ALA . 5198 1 9 . ARG . 5198 1 10 . MET . 5198 1 11 . TRP . 5198 1 12 . GLU . 5198 1 13 . TRP . 5198 1 14 . GLU . 5198 1 15 . CYS . 5198 1 16 . PHE . 5198 1 17 . GLU . 5198 1 18 . ARG . 5198 1 19 . LEU . 5198 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5198 1 . GLY 2 2 5198 1 . ASN 3 3 5198 1 . GLU 4 4 5198 1 . CYS 5 5 5198 1 . ASP 6 6 5198 1 . ILE 7 7 5198 1 . ALA 8 8 5198 1 . ARG 9 9 5198 1 . MET 10 10 5198 1 . TRP 11 11 5198 1 . GLU 12 12 5198 1 . TRP 13 13 5198 1 . GLU 14 14 5198 1 . CYS 15 15 5198 1 . PHE 16 16 5198 1 . GLU 17 17 5198 1 . ARG 18 18 5198 1 . LEU 19 19 5198 1 stop_ save_ save_VEGF _Entity.Sf_category entity _Entity.Sf_framecode VEGF _Entity.Entry_ID 5198 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'vascular endothelial growth factor' _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 ; HHEVVKFMDVYQRSYCHPIE TLVDIFQEYPDEIEYIFKPS CVPLMRCGGCCNDEGLECVP TEESNITMQIMRIKPHQGQH IGEMSFLQHNKCECRPKKD ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11625.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . . SWISS-PROT P15692 . 'Vascular endothelial growth factor A precursor (VEGF-A) (Vascular permeability factor) (VPF)' . . . . . 100.00 232 100.00 100.00 4.78e-53 . . . . 5198 2 . . REF NP_001020541 . 'vascular endothelial growth factor A isoform f precursor [Homo sapiens]' . . . . . 100.00 327 100.00 100.00 4.62e-56 . . . . 5198 2 . . REF NP_001020540 . 'vascular endothelial growth factor A isoform e precursor [Homo sapiens]' . . . . . 100.00 354 100.00 100.00 9.79e-55 . . . . 5198 2 . . REF NP_001020539 . 'vascular endothelial growth factor A isoform d precursor [Homo sapiens]' . . . . . 100.00 371 100.00 100.00 2.31e-54 . . . . 5198 2 . . REF NP_001020538 . 'vascular endothelial growth factor A isoform c precursor [Homo sapiens]' . . . . . 100.00 389 100.00 100.00 1.19e-54 . . . . 5198 2 . . REF NP_001020537 . 'vascular endothelial growth factor A isoform a precursor [Homo sapiens]' . . . . . 100.00 412 100.00 100.00 1.14e-54 . . . . 5198 2 . . GenBank AAC63102 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 254 100.00 100.00 3.23e-53 . . . . 5198 2 . . GenBank AAB47118 . 'simVEGF165 [Macaca fascicularis]' . . . . . 100.00 191 100.00 100.00 1.04e-52 . . . . 5198 2 . . GenBank AAA36807 . 'vascular permeability factor precursor' . . . . . 100.00 215 100.00 100.00 2.62e-53 . . . . 5198 2 . . GenBank AAA36804 . 'vascular endothelial growth factor' . . . . . 100.00 215 100.00 100.00 2.62e-53 . . . . 5198 2 . . GenBank AAA35789 . 'vascular endothelial growth factor' . . . . . 100.00 191 100.00 100.00 1.04e-52 . . . . 5198 2 . . EMBL CAC19515 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 147 100.00 100.00 6.04e-53 . . . . 5198 2 . . EMBL CAC19513 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 215 100.00 100.00 2.62e-53 . . . . 5198 2 . . EMBL CAC19512 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 232 100.00 100.00 4.78e-53 . . . . 5198 2 . . EMBL CAA44447 . 'vascular endothelial growth factor [Homo sapiens]' . . . . . 100.00 191 100.00 100.00 1.04e-52 . . . . 5198 2 . . EMBL CAA09179 . 'VEGF183 protein [Homo sapiens]' . . . . . 100.00 209 100.00 100.00 3.91e-53 . . . . 5198 2 . . DBJ BAD92722 . 'vascular endothelial growth factor variant [Homo sapiens]' . . . . . 98.99 148 98.98 98.98 1.58e-51 . . . . 5198 2 . . DBJ BAA78418 . 'vascular endothelial growth factor isoform VEGF165 [Homo sapiens]' . . . . . 100.00 191 100.00 100.00 1.04e-52 . . . . 5198 2 . . PDB 2VPF . 'Vascular Endothelial Growth Factor Refined To 1.93 Angstroms Resolution' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 2QR0 . 'Structure Of Vegf Complexed To A Fab Containing Tyr And Ser In The Cdrs' . . . . . 97.98 97 100.00 100.00 2.17e-50 . . . . 5198 2 . . PDB 2FJH . 'Structure Of The B20-4 Fab, A Phage Derived Fab Fragment, In Complex With Vegf' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 2FJG . 'Structure Of The G6 Fab, A Phage Derived Fab Fragment, In Complex With Vegf' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1VPP . 'Complex Between Vegf And A Receptor Blocking Peptide' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1VPF . 'Structure Of Human Vascular Endothelial Growth Factor' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1TZI . 'Crystal Structure Of The Fab Yads2 Complexed With H-Vegf' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1TZH . 'Crystal Structure Of The Fab Yads1 Complexed With H-Vegf' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1QTY . 'Vascular Endothelial Growth Factor In Complex With Domain 2 Of The Flt-1 Receptor' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . PDB 1KAT . 'Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor' . . . . . 100.00 99 100.00 100.00 8.23e-52 . . . . 5198 2 . . PDB 1FLT . 'Vegf In Complex With Domain 2 Of The Flt-1 Receptor' . . . . . 98.99 98 100.00 100.00 4.37e-51 . . . . 5198 2 . . PDB 1CZ8 . 'Vascular Endothelial Growth Factor In Complex With An Affinity Matured Antibody' . . . . . 94.95 94 100.00 100.00 1.04e-48 . . . . 5198 2 . . PDB 1BJ1 . 'Vascular Endothelial Growth Factor In Complex With A Neutralizing Antibody' . . . . . 100.00 102 100.00 100.00 8.09e-52 . . . . 5198 2 . . BMRB 5186 . 'vascular endothelial growth factor' . . . . . 100.00 99 100.00 100.00 8.23e-52 . . . . 5198 2 . . BMRB 5185 . 'vascular endothelial growth factor' . . . . . 100.00 99 100.00 100.00 8.23e-52 . . . . 5198 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'growth factor' 5198 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'vascular endothelial growth factor' common 5198 2 VEGF(11-109) variant 5198 2 VEGF abbreviation 5198 2 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 11 HIS . 5198 2 2 12 HIS . 5198 2 3 13 GLU . 5198 2 4 14 VAL . 5198 2 5 15 VAL . 5198 2 6 16 LYS . 5198 2 7 17 PHE . 5198 2 8 18 MET . 5198 2 9 19 ASP . 5198 2 10 20 VAL . 5198 2 11 21 TYR . 5198 2 12 22 GLN . 5198 2 13 23 ARG . 5198 2 14 24 SER . 5198 2 15 25 TYR . 5198 2 16 26 CYS . 5198 2 17 27 HIS . 5198 2 18 28 PRO . 5198 2 19 29 ILE . 5198 2 20 30 GLU . 5198 2 21 31 THR . 5198 2 22 32 LEU . 5198 2 23 33 VAL . 5198 2 24 34 ASP . 5198 2 25 35 ILE . 5198 2 26 36 PHE . 5198 2 27 37 GLN . 5198 2 28 38 GLU . 5198 2 29 39 TYR . 5198 2 30 40 PRO . 5198 2 31 41 ASP . 5198 2 32 42 GLU . 5198 2 33 43 ILE . 5198 2 34 44 GLU . 5198 2 35 45 TYR . 5198 2 36 46 ILE . 5198 2 37 47 PHE . 5198 2 38 48 LYS . 5198 2 39 49 PRO . 5198 2 40 50 SER . 5198 2 41 51 CYS . 5198 2 42 52 VAL . 5198 2 43 53 PRO . 5198 2 44 54 LEU . 5198 2 45 55 MET . 5198 2 46 56 ARG . 5198 2 47 57 CYS . 5198 2 48 58 GLY . 5198 2 49 59 GLY . 5198 2 50 60 CYS . 5198 2 51 61 CYS . 5198 2 52 62 ASN . 5198 2 53 63 ASP . 5198 2 54 64 GLU . 5198 2 55 65 GLY . 5198 2 56 66 LEU . 5198 2 57 67 GLU . 5198 2 58 68 CYS . 5198 2 59 69 VAL . 5198 2 60 70 PRO . 5198 2 61 71 THR . 5198 2 62 72 GLU . 5198 2 63 73 GLU . 5198 2 64 74 SER . 5198 2 65 75 ASN . 5198 2 66 76 ILE . 5198 2 67 77 THR . 5198 2 68 78 MET . 5198 2 69 79 GLN . 5198 2 70 80 ILE . 5198 2 71 81 MET . 5198 2 72 82 ARG . 5198 2 73 83 ILE . 5198 2 74 84 LYS . 5198 2 75 85 PRO . 5198 2 76 86 HIS . 5198 2 77 87 GLN . 5198 2 78 88 GLY . 5198 2 79 89 GLN . 5198 2 80 90 HIS . 5198 2 81 91 ILE . 5198 2 82 92 GLY . 5198 2 83 93 GLU . 5198 2 84 94 MET . 5198 2 85 95 SER . 5198 2 86 96 PHE . 5198 2 87 97 LEU . 5198 2 88 98 GLN . 5198 2 89 99 HIS . 5198 2 90 100 ASN . 5198 2 91 101 LYS . 5198 2 92 102 CYS . 5198 2 93 103 GLU . 5198 2 94 104 CYS . 5198 2 95 105 ARG . 5198 2 96 106 PRO . 5198 2 97 107 LYS . 5198 2 98 108 LYS . 5198 2 99 109 ASP . 5198 2 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 . HIS 1 1 5198 2 . HIS 2 2 5198 2 . GLU 3 3 5198 2 . VAL 4 4 5198 2 . VAL 5 5 5198 2 . LYS 6 6 5198 2 . PHE 7 7 5198 2 . MET 8 8 5198 2 . ASP 9 9 5198 2 . VAL 10 10 5198 2 . TYR 11 11 5198 2 . GLN 12 12 5198 2 . ARG 13 13 5198 2 . SER 14 14 5198 2 . TYR 15 15 5198 2 . CYS 16 16 5198 2 . HIS 17 17 5198 2 . PRO 18 18 5198 2 . ILE 19 19 5198 2 . GLU 20 20 5198 2 . THR 21 21 5198 2 . LEU 22 22 5198 2 . VAL 23 23 5198 2 . ASP 24 24 5198 2 . ILE 25 25 5198 2 . PHE 26 26 5198 2 . GLN 27 27 5198 2 . GLU 28 28 5198 2 . TYR 29 29 5198 2 . PRO 30 30 5198 2 . ASP 31 31 5198 2 . GLU 32 32 5198 2 . ILE 33 33 5198 2 . GLU 34 34 5198 2 . TYR 35 35 5198 2 . ILE 36 36 5198 2 . PHE 37 37 5198 2 . LYS 38 38 5198 2 . PRO 39 39 5198 2 . SER 40 40 5198 2 . CYS 41 41 5198 2 . VAL 42 42 5198 2 . PRO 43 43 5198 2 . LEU 44 44 5198 2 . MET 45 45 5198 2 . ARG 46 46 5198 2 . CYS 47 47 5198 2 . GLY 48 48 5198 2 . GLY 49 49 5198 2 . CYS 50 50 5198 2 . CYS 51 51 5198 2 . ASN 52 52 5198 2 . ASP 53 53 5198 2 . GLU 54 54 5198 2 . GLY 55 55 5198 2 . LEU 56 56 5198 2 . GLU 57 57 5198 2 . CYS 58 58 5198 2 . VAL 59 59 5198 2 . PRO 60 60 5198 2 . THR 61 61 5198 2 . GLU 62 62 5198 2 . GLU 63 63 5198 2 . SER 64 64 5198 2 . ASN 65 65 5198 2 . ILE 66 66 5198 2 . THR 67 67 5198 2 . MET 68 68 5198 2 . GLN 69 69 5198 2 . ILE 70 70 5198 2 . MET 71 71 5198 2 . ARG 72 72 5198 2 . ILE 73 73 5198 2 . LYS 74 74 5198 2 . PRO 75 75 5198 2 . HIS 76 76 5198 2 . GLN 77 77 5198 2 . GLY 78 78 5198 2 . GLN 79 79 5198 2 . HIS 80 80 5198 2 . ILE 81 81 5198 2 . GLY 82 82 5198 2 . GLU 83 83 5198 2 . MET 84 84 5198 2 . SER 85 85 5198 2 . PHE 86 86 5198 2 . LEU 87 87 5198 2 . GLN 88 88 5198 2 . HIS 89 89 5198 2 . ASN 90 90 5198 2 . LYS 91 91 5198 2 . CYS 92 92 5198 2 . GLU 93 93 5198 2 . CYS 94 94 5198 2 . ARG 95 95 5198 2 . PRO 96 96 5198 2 . LYS 97 97 5198 2 . LYS 98 98 5198 2 . ASP 99 99 5198 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 5198 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $VEGF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5198 1 2 1 $v107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5198 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 5198 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $VEGF . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5198 1 2 1 $v107 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . ; Recombinant fusion protein with dimerization domain of GCN4 C-terminally modified by addition of a linker (GPGG), an enterokinase recognition site (DDDDK), and the sequence for v107 (GGNECDIARMWEWECFERL). The linker and eneterokinase cleavage site were removed afterward. ; . . 5198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5198 _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 'v107 peptide' '[U-98% 13C; U-98% 15N]' . . 1 $v107 . . 0.6 . . mM . . . . 5198 1 2 'vascular endothelial growth factor' . . . 2 $VEGF . . 0.9 . . mM . . . . 5198 1 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 5198 _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 7.0 0.1 n/a 5198 1 temperature 308 0.2 K 5198 1 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 5198 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5198 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5198 _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 . . . 5198 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5198 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 5198 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5198 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5198 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5198 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 5198 _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 $sample_1 . 5198 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 1 1 1 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 5198 1 2 . 3 1 1 1 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 5198 1 3 . 3 1 1 1 GLY CA C 13 44.91 0.20 . 1 . . . . . . . . 5198 1 4 . 3 1 2 2 GLY HA2 H 1 3.83 0.02 . 1 . . . . . . . . 5198 1 5 . 3 1 2 2 GLY HA3 H 1 3.83 0.02 . 1 . . . . . . . . 5198 1 6 . 3 1 2 2 GLY CA C 13 43.78 0.20 . 1 . . . . . . . . 5198 1 7 . 3 1 3 3 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5198 1 8 . 3 1 3 3 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5198 1 9 . 3 1 3 3 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5198 1 10 . 3 1 3 3 ASN C C 13 175.46 0.20 . 1 . . . . . . . . 5198 1 11 . 3 1 3 3 ASN CA C 13 52.78 0.20 . 1 . . . . . . . . 5198 1 12 . 3 1 3 3 ASN CB C 13 38.72 0.20 . 1 . . . . . . . . 5198 1 13 . 3 1 4 4 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 5198 1 14 . 3 1 4 4 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5198 1 15 . 3 1 4 4 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5198 1 16 . 3 1 4 4 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5198 1 17 . 3 1 4 4 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5198 1 18 . 3 1 4 4 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5198 1 19 . 3 1 4 4 GLU C C 13 176.60 0.20 . 1 . . . . . . . . 5198 1 20 . 3 1 4 4 GLU CA C 13 57.28 0.20 . 1 . . . . . . . . 5198 1 21 . 3 1 4 4 GLU CB C 13 29.16 0.20 . 1 . . . . . . . . 5198 1 22 . 3 1 4 4 GLU CG C 13 35.91 0.20 . 1 . . . . . . . . 5198 1 23 . 3 1 4 4 GLU N N 15 121.54 0.10 . 1 . . . . . . . . 5198 1 24 . 3 1 5 5 CYS H H 1 8.40 0.02 . 1 . . . . . . . . 5198 1 25 . 3 1 5 5 CYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5198 1 26 . 3 1 5 5 CYS HB2 H 1 2.21 0.02 . 1 . . . . . . . . 5198 1 27 . 3 1 5 5 CYS HB3 H 1 2.18 0.02 . 1 . . . . . . . . 5198 1 28 . 3 1 5 5 CYS C C 13 174.19 0.20 . 1 . . . . . . . . 5198 1 29 . 3 1 5 5 CYS CA C 13 53.34 0.20 . 1 . . . . . . . . 5198 1 30 . 3 1 5 5 CYS CB C 13 38.44 0.20 . 1 . . . . . . . . 5198 1 31 . 3 1 5 5 CYS N N 15 117.86 0.10 . 1 . . . . . . . . 5198 1 32 . 3 1 6 6 ASP H H 1 7.87 0.02 . 1 . . . . . . . . 5198 1 33 . 3 1 6 6 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 5198 1 34 . 3 1 6 6 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5198 1 35 . 3 1 6 6 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5198 1 36 . 3 1 6 6 ASP C C 13 179.43 0.20 . 1 . . . . . . . . 5198 1 37 . 3 1 6 6 ASP CA C 13 54.47 0.20 . 1 . . . . . . . . 5198 1 38 . 3 1 6 6 ASP CB C 13 42.09 0.20 . 1 . . . . . . . . 5198 1 39 . 3 1 6 6 ASP N N 15 121.96 0.10 . 1 . . . . . . . . 5198 1 40 . 3 1 7 7 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 5198 1 41 . 3 1 7 7 ILE HA H 1 4.30 0.02 . 1 . . . . . . . . 5198 1 42 . 3 1 7 7 ILE HB H 1 2.10 0.02 . 1 . . . . . . . . 5198 1 43 . 3 1 7 7 ILE HG12 H 1 1.49 0.02 . 1 . . . . . . . . 5198 1 44 . 3 1 7 7 ILE HG13 H 1 1.49 0.02 . 1 . . . . . . . . 5198 1 45 . 3 1 7 7 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5198 1 46 . 3 1 7 7 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5198 1 47 . 3 1 7 7 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5198 1 48 . 3 1 7 7 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 5198 1 49 . 3 1 7 7 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 5198 1 50 . 3 1 7 7 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 5198 1 51 . 3 1 7 7 ILE C C 13 176.01 0.20 . 1 . . . . . . . . 5198 1 52 . 3 1 7 7 ILE CA C 13 62.34 0.20 . 1 . . . . . . . . 5198 1 53 . 3 1 7 7 ILE CB C 13 39.28 0.20 . 1 . . . . . . . . 5198 1 54 . 3 1 7 7 ILE CG1 C 13 28.03 0.20 . 1 . . . . . . . . 5198 1 55 . 3 1 7 7 ILE CG2 C 13 17.90 0.20 . 1 . . . . . . . . 5198 1 56 . 3 1 7 7 ILE CD1 C 13 14.53 0.20 . 1 . . . . . . . . 5198 1 57 . 3 1 7 7 ILE N N 15 127.06 0.10 . 1 . . . . . . . . 5198 1 58 . 3 1 8 8 ALA H H 1 8.83 0.02 . 1 . . . . . . . . 5198 1 59 . 3 1 8 8 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5198 1 60 . 3 1 8 8 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5198 1 61 . 3 1 8 8 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5198 1 62 . 3 1 8 8 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5198 1 63 . 3 1 8 8 ALA C C 13 174.73 0.20 . 1 . . . . . . . . 5198 1 64 . 3 1 8 8 ALA CA C 13 52.22 0.20 . 1 . . . . . . . . 5198 1 65 . 3 1 8 8 ALA CB C 13 19.03 0.20 . 1 . . . . . . . . 5198 1 66 . 3 1 8 8 ALA N N 15 124.89 0.10 . 1 . . . . . . . . 5198 1 67 . 3 1 9 9 ARG H H 1 7.56 0.02 . 1 . . . . . . . . 5198 1 68 . 3 1 9 9 ARG HA H 1 4.77 0.02 . 1 . . . . . . . . 5198 1 69 . 3 1 9 9 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5198 1 70 . 3 1 9 9 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5198 1 71 . 3 1 9 9 ARG HG2 H 1 1.83 0.02 . 2 . . . . . . . . 5198 1 72 . 3 1 9 9 ARG HG3 H 1 1.71 0.02 . 2 . . . . . . . . 5198 1 73 . 3 1 9 9 ARG HD2 H 1 3.41 0.02 . 2 . . . . . . . . 5198 1 74 . 3 1 9 9 ARG HD3 H 1 3.35 0.02 . 2 . . . . . . . . 5198 1 75 . 3 1 9 9 ARG C C 13 173.58 0.20 . 1 . . . . . . . . 5198 1 76 . 3 1 9 9 ARG CA C 13 53.91 0.20 . 1 . . . . . . . . 5198 1 77 . 3 1 9 9 ARG CB C 13 33.66 0.20 . 1 . . . . . . . . 5198 1 78 . 3 1 9 9 ARG CG C 13 26.34 0.20 . 1 . . . . . . . . 5198 1 79 . 3 1 9 9 ARG CD C 13 43.22 0.20 . 1 . . . . . . . . 5198 1 80 . 3 1 9 9 ARG N N 15 118.52 0.10 . 1 . . . . . . . . 5198 1 81 . 3 1 10 10 MET H H 1 8.23 0.02 . 1 . . . . . . . . 5198 1 82 . 3 1 10 10 MET HA H 1 3.41 0.02 . 1 . . . . . . . . 5198 1 83 . 3 1 10 10 MET HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5198 1 84 . 3 1 10 10 MET HB3 H 1 0.88 0.02 . 1 . . . . . . . . 5198 1 85 . 3 1 10 10 MET HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5198 1 86 . 3 1 10 10 MET HG3 H 1 1.67 0.02 . 2 . . . . . . . . 5198 1 87 . 3 1 10 10 MET HE1 H 1 2.00 0.02 . 1 . . . . . . . . 5198 1 88 . 3 1 10 10 MET HE2 H 1 2.00 0.02 . 1 . . . . . . . . 5198 1 89 . 3 1 10 10 MET HE3 H 1 2.00 0.02 . 1 . . . . . . . . 5198 1 90 . 3 1 10 10 MET C C 13 177.53 0.20 . 1 . . . . . . . . 5198 1 91 . 3 1 10 10 MET CA C 13 56.72 0.20 . 1 . . . . . . . . 5198 1 92 . 3 1 10 10 MET CB C 13 33.09 0.20 . 1 . . . . . . . . 5198 1 93 . 3 1 10 10 MET CG C 13 31.97 0.20 . 1 . . . . . . . . 5198 1 94 . 3 1 10 10 MET CE C 13 16.78 0.20 . 1 . . . . . . . . 5198 1 95 . 3 1 10 10 MET N N 15 119.24 0.10 . 1 . . . . . . . . 5198 1 96 . 3 1 11 11 TRP H H 1 9.12 0.02 . 1 . . . . . . . . 5198 1 97 . 3 1 11 11 TRP HA H 1 4.89 0.02 . 1 . . . . . . . . 5198 1 98 . 3 1 11 11 TRP HD1 H 1 6.91 0.02 . 1 . . . . . . . . 5198 1 99 . 3 1 11 11 TRP HE1 H 1 9.24 0.02 . 1 . . . . . . . . 5198 1 100 . 3 1 11 11 TRP HE3 H 1 5.26 0.02 . 2 . . . . . . . . 5198 1 101 . 3 1 11 11 TRP HZ2 H 1 7.19 0.02 . 2 . . . . . . . . 5198 1 102 . 3 1 11 11 TRP HZ3 H 1 6.27 0.02 . 2 . . . . . . . . 5198 1 103 . 3 1 11 11 TRP HH2 H 1 7.02 0.02 . 2 . . . . . . . . 5198 1 104 . 3 1 11 11 TRP C C 13 177.28 0.20 . 1 . . . . . . . . 5198 1 105 . 3 1 11 11 TRP CA C 13 55.59 0.20 . 1 . . . . . . . . 5198 1 106 . 3 1 11 11 TRP CD1 C 13 125.22 0.20 . 1 . . . . . . . . 5198 1 107 . 3 1 11 11 TRP CE3 C 13 120.69 0.20 . 1 . . . . . . . . 5198 1 108 . 3 1 11 11 TRP CZ2 C 13 113.59 0.20 . 1 . . . . . . . . 5198 1 109 . 3 1 11 11 TRP CZ3 C 13 119.94 0.20 . 1 . . . . . . . . 5198 1 110 . 3 1 11 11 TRP CH2 C 13 123.01 0.20 . 1 . . . . . . . . 5198 1 111 . 3 1 11 11 TRP N N 15 131.61 0.10 . 1 . . . . . . . . 5198 1 112 . 3 1 11 11 TRP NE1 N 15 127.76 0.10 . 1 . . . . . . . . 5198 1 113 . 3 1 12 12 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 5198 1 114 . 3 1 12 12 GLU HA H 1 4.70 0.02 . 1 . . . . . . . . 5198 1 115 . 3 1 12 12 GLU HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5198 1 116 . 3 1 12 12 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5198 1 117 . 3 1 12 12 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 5198 1 118 . 3 1 12 12 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 5198 1 119 . 3 1 12 12 GLU C C 13 177.60 0.20 . 1 . . . . . . . . 5198 1 120 . 3 1 12 12 GLU CA C 13 55.59 0.20 . 1 . . . . . . . . 5198 1 121 . 3 1 12 12 GLU CB C 13 30.84 0.20 . 1 . . . . . . . . 5198 1 122 . 3 1 12 12 GLU CG C 13 36.47 0.20 . 1 . . . . . . . . 5198 1 123 . 3 1 12 12 GLU N N 15 117.64 0.10 . 1 . . . . . . . . 5198 1 124 . 3 1 13 13 TRP H H 1 9.37 0.02 . 1 . . . . . . . . 5198 1 125 . 3 1 13 13 TRP HA H 1 5.16 0.02 . 1 . . . . . . . . 5198 1 126 . 3 1 13 13 TRP HB2 H 1 3.70 0.02 . 2 . . . . . . . . 5198 1 127 . 3 1 13 13 TRP HB3 H 1 3.23 0.02 . 2 . . . . . . . . 5198 1 128 . 3 1 13 13 TRP HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5198 1 129 . 3 1 13 13 TRP HE1 H 1 9.97 0.02 . 1 . . . . . . . . 5198 1 130 . 3 1 13 13 TRP HE3 H 1 7.89 0.02 . 2 . . . . . . . . 5198 1 131 . 3 1 13 13 TRP HZ2 H 1 7.43 0.02 . 2 . . . . . . . . 5198 1 132 . 3 1 13 13 TRP HZ3 H 1 6.46 0.02 . 2 . . . . . . . . 5198 1 133 . 3 1 13 13 TRP HH2 H 1 6.86 0.02 . 2 . . . . . . . . 5198 1 134 . 3 1 13 13 TRP C C 13 177.38 0.20 . 1 . . . . . . . . 5198 1 135 . 3 1 13 13 TRP CA C 13 60.09 0.20 . 1 . . . . . . . . 5198 1 136 . 3 1 13 13 TRP CB C 13 29.72 0.20 . 1 . . . . . . . . 5198 1 137 . 3 1 13 13 TRP CD1 C 13 127.44 0.20 . 1 . . . . . . . . 5198 1 138 . 3 1 13 13 TRP CE3 C 13 121.44 0.20 . 1 . . . . . . . . 5198 1 139 . 3 1 13 13 TRP CZ2 C 13 113.94 0.20 . 1 . . . . . . . . 5198 1 140 . 3 1 13 13 TRP CZ3 C 13 121.06 0.20 . 1 . . . . . . . . 5198 1 141 . 3 1 13 13 TRP CH2 C 13 123.31 0.20 . 1 . . . . . . . . 5198 1 142 . 3 1 13 13 TRP N N 15 122.23 0.10 . 1 . . . . . . . . 5198 1 143 . 3 1 13 13 TRP NE1 N 15 128.69 0.10 . 1 . . . . . . . . 5198 1 144 . 3 1 14 14 GLU H H 1 9.07 0.02 . 1 . . . . . . . . 5198 1 145 . 3 1 14 14 GLU HA H 1 3.71 0.02 . 1 . . . . . . . . 5198 1 146 . 3 1 14 14 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5198 1 147 . 3 1 14 14 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5198 1 148 . 3 1 14 14 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5198 1 149 . 3 1 14 14 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 5198 1 150 . 3 1 14 14 GLU C C 13 178.07 0.20 . 1 . . . . . . . . 5198 1 151 . 3 1 14 14 GLU CA C 13 58.97 0.20 . 1 . . . . . . . . 5198 1 152 . 3 1 14 14 GLU CB C 13 28.59 0.20 . 1 . . . . . . . . 5198 1 153 . 3 1 14 14 GLU CG C 13 36.47 0.20 . 1 . . . . . . . . 5198 1 154 . 3 1 14 14 GLU N N 15 114.88 0.10 . 1 . . . . . . . . 5198 1 155 . 3 1 15 15 CYS H H 1 7.39 0.02 . 1 . . . . . . . . 5198 1 156 . 3 1 15 15 CYS HA H 1 3.71 0.02 . 1 . . . . . . . . 5198 1 157 . 3 1 15 15 CYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5198 1 158 . 3 1 15 15 CYS HB3 H 1 0.94 0.02 . 2 . . . . . . . . 5198 1 159 . 3 1 15 15 CYS C C 13 177.06 0.20 . 1 . . . . . . . . 5198 1 160 . 3 1 15 15 CYS CA C 13 55.59 0.20 . 1 . . . . . . . . 5198 1 161 . 3 1 15 15 CYS CB C 13 37.59 0.20 . 1 . . . . . . . . 5198 1 162 . 3 1 15 15 CYS N N 15 115.13 0.10 . 1 . . . . . . . . 5198 1 163 . 3 1 16 16 PHE H H 1 7.72 0.02 . 1 . . . . . . . . 5198 1 164 . 3 1 16 16 PHE HA H 1 3.89 0.02 . 1 . . . . . . . . 5198 1 165 . 3 1 16 16 PHE HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5198 1 166 . 3 1 16 16 PHE HB3 H 1 2.36 0.02 . 2 . . . . . . . . 5198 1 167 . 3 1 16 16 PHE HD1 H 1 7.39 0.02 . 1 . . . . . . . . 5198 1 168 . 3 1 16 16 PHE HD2 H 1 7.39 0.02 . 1 . . . . . . . . 5198 1 169 . 3 1 16 16 PHE HE1 H 1 7.04 0.02 . 1 . . . . . . . . 5198 1 170 . 3 1 16 16 PHE HE2 H 1 7.04 0.02 . 1 . . . . . . . . 5198 1 171 . 3 1 16 16 PHE HZ H 1 5.85 0.02 . 1 . . . . . . . . 5198 1 172 . 3 1 16 16 PHE C C 13 177.06 0.20 . 1 . . . . . . . . 5198 1 173 . 3 1 16 16 PHE CA C 13 60.09 0.20 . 1 . . . . . . . . 5198 1 174 . 3 1 16 16 PHE CB C 13 38.16 0.20 . 1 . . . . . . . . 5198 1 175 . 3 1 16 16 PHE CD1 C 13 131.56 0.20 . 1 . . . . . . . . 5198 1 176 . 3 1 16 16 PHE CD2 C 13 131.56 0.20 . 1 . . . . . . . . 5198 1 177 . 3 1 16 16 PHE CE1 C 13 131.56 0.20 . 1 . . . . . . . . 5198 1 178 . 3 1 16 16 PHE CE2 C 13 131.56 0.20 . 1 . . . . . . . . 5198 1 179 . 3 1 16 16 PHE CZ C 13 130.06 0.20 . 1 . . . . . . . . 5198 1 180 . 3 1 16 16 PHE N N 15 117.35 0.10 . 1 . . . . . . . . 5198 1 181 . 3 1 17 17 GLU H H 1 6.88 0.02 . 1 . . . . . . . . 5198 1 182 . 3 1 17 17 GLU HA H 1 3.82 0.02 . 1 . . . . . . . . 5198 1 183 . 3 1 17 17 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5198 1 184 . 3 1 17 17 GLU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5198 1 185 . 3 1 17 17 GLU HG2 H 1 1.90 0.02 . 2 . . . . . . . . 5198 1 186 . 3 1 17 17 GLU HG3 H 1 1.86 0.02 . 2 . . . . . . . . 5198 1 187 . 3 1 17 17 GLU C C 13 176.51 0.20 . 1 . . . . . . . . 5198 1 188 . 3 1 17 17 GLU CA C 13 57.28 0.20 . 1 . . . . . . . . 5198 1 189 . 3 1 17 17 GLU CB C 13 29.72 0.20 . 1 . . . . . . . . 5198 1 190 . 3 1 17 17 GLU CG C 13 36.47 0.20 . 1 . . . . . . . . 5198 1 191 . 3 1 17 17 GLU N N 15 116.95 0.10 . 1 . . . . . . . . 5198 1 192 . 3 1 18 18 ARG H H 1 6.89 0.02 . 1 . . . . . . . . 5198 1 193 . 3 1 18 18 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 5198 1 194 . 3 1 18 18 ARG HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5198 1 195 . 3 1 18 18 ARG HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5198 1 196 . 3 1 18 18 ARG HG2 H 1 1.59 0.02 . 2 . . . . . . . . 5198 1 197 . 3 1 18 18 ARG HG3 H 1 1.47 0.02 . 2 . . . . . . . . 5198 1 198 . 3 1 18 18 ARG HD2 H 1 3.11 0.02 . 2 . . . . . . . . 5198 1 199 . 3 1 18 18 ARG HD3 H 1 3.02 0.02 . 2 . . . . . . . . 5198 1 200 . 3 1 18 18 ARG C C 13 175.37 0.20 . 1 . . . . . . . . 5198 1 201 . 3 1 18 18 ARG CA C 13 55.59 0.20 . 1 . . . . . . . . 5198 1 202 . 3 1 18 18 ARG CB C 13 30.28 0.20 . 1 . . . . . . . . 5198 1 203 . 3 1 18 18 ARG CG C 13 26.91 0.20 . 1 . . . . . . . . 5198 1 204 . 3 1 18 18 ARG CD C 13 43.22 0.20 . 1 . . . . . . . . 5198 1 205 . 3 1 18 18 ARG N N 15 116.08 0.10 . 1 . . . . . . . . 5198 1 206 . 3 1 19 19 LEU H H 1 7.06 0.02 . 1 . . . . . . . . 5198 1 207 . 3 1 19 19 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 5198 1 208 . 3 1 19 19 LEU HB2 H 1 1.69 0.02 . 1 . . . . . . . . 5198 1 209 . 3 1 19 19 LEU HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5198 1 210 . 3 1 19 19 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5198 1 211 . 3 1 19 19 LEU HD11 H 1 1.04 0.02 . 1 . . . . . . . . 5198 1 212 . 3 1 19 19 LEU HD12 H 1 1.04 0.02 . 1 . . . . . . . . 5198 1 213 . 3 1 19 19 LEU HD13 H 1 1.04 0.02 . 1 . . . . . . . . 5198 1 214 . 3 1 19 19 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 5198 1 215 . 3 1 19 19 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 5198 1 216 . 3 1 19 19 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 5198 1 217 . 3 1 19 19 LEU CA C 13 56.76 0.20 . 1 . . . . . . . . 5198 1 218 . 3 1 19 19 LEU CB C 13 42.66 0.20 . 1 . . . . . . . . 5198 1 219 . 3 1 19 19 LEU CG C 13 26.34 0.20 . 1 . . . . . . . . 5198 1 220 . 3 1 19 19 LEU CD1 C 13 26.29 0.20 . 1 . . . . . . . . 5198 1 221 . 3 1 19 19 LEU CD2 C 13 23.44 0.20 . 1 . . . . . . . . 5198 1 222 . 3 1 19 19 LEU N N 15 126.42 0.10 . 1 . . . . . . . . 5198 1 stop_ save_