data_4580 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4580 _Entry.Title ; Backbone 1H,13C,and 15N assignments of the anti-dansyl antibody Fv fragment ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-02-01 _Entry.Accession_date 2000-02-02 _Entry.Last_release_date . _Entry.Original_release_date . _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 Kazuyasu Shindo . . . 4580 2 Katsyoshi Masuda . . . 4580 3 Hideo Takahashi . . . 4580 4 Yoji Arata . . . 4580 5 Ichio Shimada . . . 4580 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4580 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 223 4580 '13C chemical shifts' 217 4580 '15N chemical shifts' 224 4580 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 . . 2000-09-25 . update BMRB 'Entry citation updated' 4580 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4580 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C, and 15N resonance assignments of the anti-dansyl antibody Fv fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 4 _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 357 _Citation.Page_last 358 _Citation.Year 2000 _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 Kazuyasu Shindo . . . 4580 1 2 Katsyoshi Masuda . . . 4580 1 3 Hideo Takahashi . . . 4580 1 4 Yoji Arata . . . 4580 1 5 Ichio Shimada . . . 4580 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'anti-dansyl antibody' 4580 1 'heteronuclear NMR' 4580 1 'resonace assignments' 4580 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Fv_fragment _Assembly.Sf_category assembly _Assembly.Sf_framecode Fv_fragment _Assembly.Entry_ID 4580 _Assembly.ID 1 _Assembly.Name 'anti-dansyl Fv fragment' _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 heterodimer 4580 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 'VH domain' 1 $VH_domain . . . native . . . . . 4580 1 2 'VL domain' 2 $VL_domain . . . native . . . . . 4580 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 . 1 CYS 22 22 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 4580 1 2 disulfide single . 2 . 2 CYS 23 23 SG . 2 . 2 CYS 93 93 SG . . . . . . . . . . 4580 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DLF . 'H Chain H, High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 5.25' . . . . 4580 1 yes PDB 2DLF . 'H Chain H, High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 6.75' . . . . 4580 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'anti-dansyl Fv fragment' system 4580 1 'Fv fragment' abbreviation 4580 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID antibody 4580 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VH_domain _Entity.Sf_category entity _Entity.Sf_framecode VH_domain _Entity.Entry_ID 4580 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'VH domain' _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 ; EVKLEESGGGLVQPGGSMKL SCATSGFTFSDAWMDWVRQS PEKGLEWVAEIRNKANNHAT YYAESVKGRFTISRDDSKRR VYLQMNTLRAEDTGIYYCTG IYYHYPWFAYWGQGTLVTVS AEPR ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; VH domain associates VL domain, forms a heterodimer usually and this dimer is refered as Fv fragment. Residues26-32, 53-59, 102-209 are called H1 region, H2 region, H3 region, respectively and form antigen binding site generally. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1DLF . "High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 5." . . . . . 100.00 124 100.00 100.00 8.40e-87 . . . . 4580 1 2 no PDB 1WZ1 . "Crystal Structure Of The Fv Fragment Complexed With Dansyl- Lysine" . . . . . 99.19 123 100.00 100.00 5.44e-86 . . . . 4580 1 3 no PDB 2DLF . "High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 6." . . . . . 100.00 124 100.00 100.00 8.40e-87 . . . . 4580 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'VH domain' common 4580 1 VH abbreviation 4580 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 1 GLU . 4580 1 2 2 VAL . 4580 1 3 3 LYS . 4580 1 4 4 LEU . 4580 1 5 5 GLU . 4580 1 6 6 GLU . 4580 1 7 7 SER . 4580 1 8 8 GLY . 4580 1 9 9 GLY . 4580 1 10 10 GLY . 4580 1 11 11 LEU . 4580 1 12 12 VAL . 4580 1 13 13 GLN . 4580 1 14 14 PRO . 4580 1 15 15 GLY . 4580 1 16 16 GLY . 4580 1 17 17 SER . 4580 1 18 18 MET . 4580 1 19 19 LYS . 4580 1 20 20 LEU . 4580 1 21 21 SER . 4580 1 22 22 CYS . 4580 1 23 23 ALA . 4580 1 24 24 THR . 4580 1 25 25 SER . 4580 1 26 26 GLY . 4580 1 27 27 PHE . 4580 1 28 28 THR . 4580 1 29 29 PHE . 4580 1 30 30 SER . 4580 1 31 31 ASP . 4580 1 32 32 ALA . 4580 1 33 33 TRP . 4580 1 34 34 MET . 4580 1 35 35 ASP . 4580 1 36 36 TRP . 4580 1 37 37 VAL . 4580 1 38 33 ARG . 4580 1 39 39 GLN . 4580 1 40 40 SER . 4580 1 41 41 PRO . 4580 1 42 42 GLU . 4580 1 43 43 LYS . 4580 1 44 44 GLY . 4580 1 45 45 LEU . 4580 1 46 46 GLU . 4580 1 47 47 TRP . 4580 1 48 48 VAL . 4580 1 49 49 ALA . 4580 1 50 50 GLU . 4580 1 51 51 ILE . 4580 1 52 52 ARG . 4580 1 53 52a ASN . 4580 1 54 52b LYS . 4580 1 55 52c ALA . 4580 1 56 53 ASN . 4580 1 57 54 ASN . 4580 1 58 55 HIS . 4580 1 59 56 ALA . 4580 1 60 57 THR . 4580 1 61 58 TYR . 4580 1 62 59 TYR . 4580 1 63 60 ALA . 4580 1 64 61 GLU . 4580 1 65 62 SER . 4580 1 66 63 VAL . 4580 1 67 64 LYS . 4580 1 68 65 GLY . 4580 1 69 66 ARG . 4580 1 70 67 PHE . 4580 1 71 68 THR . 4580 1 72 69 ILE . 4580 1 73 70 SER . 4580 1 74 71 ARG . 4580 1 75 72 ASP . 4580 1 76 73 ASP . 4580 1 77 74 SER . 4580 1 78 75 LYS . 4580 1 79 76 ARG . 4580 1 80 77 ARG . 4580 1 81 78 VAL . 4580 1 82 79 TYR . 4580 1 83 80 LEU . 4580 1 84 81 GLN . 4580 1 85 82 MET . 4580 1 86 82a ASN . 4580 1 87 82b THR . 4580 1 88 82c LEU . 4580 1 89 83 ARG . 4580 1 90 84 ALA . 4580 1 91 85 GLU . 4580 1 92 86 ASP . 4580 1 93 87 THR . 4580 1 94 88 GLY . 4580 1 95 89 ILE . 4580 1 96 90 TYR . 4580 1 97 91 TYR . 4580 1 98 92 CYS . 4580 1 99 93 THR . 4580 1 100 94 GLY . 4580 1 101 95 ILE . 4580 1 102 96 TYR . 4580 1 103 97 TYR . 4580 1 104 98 HIS . 4580 1 105 99 TYR . 4580 1 106 100 PRO . 4580 1 107 101 TRP . 4580 1 108 102 PHE . 4580 1 109 103 ALA . 4580 1 110 104 TYR . 4580 1 111 105 TRP . 4580 1 112 106 GLY . 4580 1 113 107 GLN . 4580 1 114 108 GLY . 4580 1 115 109 THR . 4580 1 116 110 LEU . 4580 1 117 111 VAL . 4580 1 118 112 THR . 4580 1 119 113 VAL . 4580 1 120 114 SER . 4580 1 121 115 ALA . 4580 1 122 116 GLU . 4580 1 123 117 PRO . 4580 1 124 118 ARG . 4580 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 . GLU 1 1 4580 1 . VAL 2 2 4580 1 . LYS 3 3 4580 1 . LEU 4 4 4580 1 . GLU 5 5 4580 1 . GLU 6 6 4580 1 . SER 7 7 4580 1 . GLY 8 8 4580 1 . GLY 9 9 4580 1 . GLY 10 10 4580 1 . LEU 11 11 4580 1 . VAL 12 12 4580 1 . GLN 13 13 4580 1 . PRO 14 14 4580 1 . GLY 15 15 4580 1 . GLY 16 16 4580 1 . SER 17 17 4580 1 . MET 18 18 4580 1 . LYS 19 19 4580 1 . LEU 20 20 4580 1 . SER 21 21 4580 1 . CYS 22 22 4580 1 . ALA 23 23 4580 1 . THR 24 24 4580 1 . SER 25 25 4580 1 . GLY 26 26 4580 1 . PHE 27 27 4580 1 . THR 28 28 4580 1 . PHE 29 29 4580 1 . SER 30 30 4580 1 . ASP 31 31 4580 1 . ALA 32 32 4580 1 . TRP 33 33 4580 1 . MET 34 34 4580 1 . ASP 35 35 4580 1 . TRP 36 36 4580 1 . VAL 37 37 4580 1 . ARG 38 38 4580 1 . GLN 39 39 4580 1 . SER 40 40 4580 1 . PRO 41 41 4580 1 . GLU 42 42 4580 1 . LYS 43 43 4580 1 . GLY 44 44 4580 1 . LEU 45 45 4580 1 . GLU 46 46 4580 1 . TRP 47 47 4580 1 . VAL 48 48 4580 1 . ALA 49 49 4580 1 . GLU 50 50 4580 1 . ILE 51 51 4580 1 . ARG 52 52 4580 1 . ASN 53 53 4580 1 . LYS 54 54 4580 1 . ALA 55 55 4580 1 . ASN 56 56 4580 1 . ASN 57 57 4580 1 . HIS 58 58 4580 1 . ALA 59 59 4580 1 . THR 60 60 4580 1 . TYR 61 61 4580 1 . TYR 62 62 4580 1 . ALA 63 63 4580 1 . GLU 64 64 4580 1 . SER 65 65 4580 1 . VAL 66 66 4580 1 . LYS 67 67 4580 1 . GLY 68 68 4580 1 . ARG 69 69 4580 1 . PHE 70 70 4580 1 . THR 71 71 4580 1 . ILE 72 72 4580 1 . SER 73 73 4580 1 . ARG 74 74 4580 1 . ASP 75 75 4580 1 . ASP 76 76 4580 1 . SER 77 77 4580 1 . LYS 78 78 4580 1 . ARG 79 79 4580 1 . ARG 80 80 4580 1 . VAL 81 81 4580 1 . TYR 82 82 4580 1 . LEU 83 83 4580 1 . GLN 84 84 4580 1 . MET 85 85 4580 1 . ASN 86 86 4580 1 . THR 87 87 4580 1 . LEU 88 88 4580 1 . ARG 89 89 4580 1 . ALA 90 90 4580 1 . GLU 91 91 4580 1 . ASP 92 92 4580 1 . THR 93 93 4580 1 . GLY 94 94 4580 1 . ILE 95 95 4580 1 . TYR 96 96 4580 1 . TYR 97 97 4580 1 . CYS 98 98 4580 1 . THR 99 99 4580 1 . GLY 100 100 4580 1 . ILE 101 101 4580 1 . TYR 102 102 4580 1 . TYR 103 103 4580 1 . HIS 104 104 4580 1 . TYR 105 105 4580 1 . PRO 106 106 4580 1 . TRP 107 107 4580 1 . PHE 108 108 4580 1 . ALA 109 109 4580 1 . TYR 110 110 4580 1 . TRP 111 111 4580 1 . GLY 112 112 4580 1 . GLN 113 113 4580 1 . GLY 114 114 4580 1 . THR 115 115 4580 1 . LEU 116 116 4580 1 . VAL 117 117 4580 1 . THR 118 118 4580 1 . VAL 119 119 4580 1 . SER 120 120 4580 1 . ALA 121 121 4580 1 . GLU 122 122 4580 1 . PRO 123 123 4580 1 . ARG 124 124 4580 1 stop_ save_ save_VL_domain _Entity.Sf_category entity _Entity.Sf_framecode VL_domain _Entity.Entry_ID 4580 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'VL domain' _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 ; DVVMTQTPLSLPVSLGNQAS ISCRSSQSLVHSNGNTYLHW YLQKPGQSPKLLIYKVSNRF SGVPDRFSGSGSGTDFTLKI SRVEAEDLGVYFCSQSTHVP FTFGSGTKLEIKR ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bond' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; VL domain associates VH domain, forms a heterodimer usually and this dimer is refered as Fv fragment. Residues26-32, 50-52, and 91-96 are called L1 region, L2 region, and L3 region respectively. ; _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 . . PIR B30577 . 'Ig kappa chain precursor V region (MRL10) - mouse (fragment)' . . . . . 99.12 131 98.21 100.00 2.00e-58 . . . . 4580 2 . . PIR PL0257 . 'Ig kappa chain V region (anti-DNA, DP1VK) - mouse (fragment)' . . . . . 98.23 111 98.20 100.00 1.39e-57 . . . . 4580 2 . . GenBank AAB22613 . 'immunoglobulin variable kappa 1 [Mus sp.]' . . . . . 88.50 104 99.00 100.00 1.03e-51 . . . . 4580 2 . . GenBank AAB28784 . 'IgM kappa chain variable region; IgM VK [Mus sp.]' . . . . . 92.04 104 99.04 100.00 2.13e-53 . . . . 4580 2 . . GenBank AAA39066 . 'immunoglobulin kappa chain' . . . . . 88.50 120 99.00 100.00 1.63e-51 . . . . 4580 2 . . GenBank AAA85498 . 'immunoglobulin light chain variable region' . . . . . 99.12 112 98.21 100.00 4.18e-58 . . . . 4580 2 . . EMBL CAB46118 . 'immunoglobulin light chain variable region [Mus musculus]' . . . . . 88.50 119 99.00 100.00 1.31e-51 . . . . 4580 2 . . GenBank AAA39041 . 'Ig kappa-chain V-region precursor' . . . . . 88.50 119 99.00 100.00 1.31e-51 . . . . 4580 2 . . PDB 2HKH . 'Crystal Structure Of The Fab M75' . . . . . 100.00 219 98.23 99.12 3.14e-59 . . . . 4580 2 . . DBJ BAA00052 . 'Ig kappa chain [Mus musculus]' . . . . . 88.50 119 99.00 100.00 1.31e-51 . . . . 4580 2 . . PDB 2DLF . 'High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 6.75' . . . . . 100.00 113 100.00 100.00 8.13e-60 . . . . 4580 2 . . PDB 2HKF . 'Crystal Structure Of The Complex Fab M75- Peptide' . . . . . 100.00 219 98.23 99.12 3.14e-59 . . . . 4580 2 . . PDB 1DLF . 'High Resolution Crystal Structure Of The Fv Fragment From An Anti-Dansyl Switch Variant Antibody Igg2a(S) Crystallized At Ph 5.25' . . . . . 100.00 113 100.00 100.00 8.13e-60 . . . . 4580 2 . . PDB 1WZ1 . 'Crystal Structure Of The Fv Fragment Complexed With Dansyl- Lysine' . . . . . 100.00 113 100.00 100.00 8.13e-60 . . . . 4580 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'VL domain' common 4580 2 VL abbreviation 4580 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 1 ASP . 4580 2 2 2 VAL . 4580 2 3 3 VAL . 4580 2 4 4 MET . 4580 2 5 5 THR . 4580 2 6 6 GLN . 4580 2 7 7 THR . 4580 2 8 8 PRO . 4580 2 9 9 LEU . 4580 2 10 10 SER . 4580 2 11 11 LEU . 4580 2 12 12 PRO . 4580 2 13 13 VAL . 4580 2 14 14 SER . 4580 2 15 15 LEU . 4580 2 16 16 GLY . 4580 2 17 17 ASN . 4580 2 18 18 GLN . 4580 2 19 19 ALA . 4580 2 20 20 SER . 4580 2 21 21 ILE . 4580 2 22 22 SER . 4580 2 23 23 CYS . 4580 2 24 24 ARG . 4580 2 25 25 SER . 4580 2 26 26 SER . 4580 2 27 27 GLN . 4580 2 28 27a SER . 4580 2 29 27b LEU . 4580 2 30 27c VAL . 4580 2 31 27d HIS . 4580 2 32 27e SER . 4580 2 33 28 ASN . 4580 2 34 29 GLY . 4580 2 35 30 ASN . 4580 2 36 31 THR . 4580 2 37 32 TYR . 4580 2 38 33 LEU . 4580 2 39 34 HIS . 4580 2 40 35 TRP . 4580 2 41 36 TYR . 4580 2 42 37 LEU . 4580 2 43 38 GLN . 4580 2 44 39 LYS . 4580 2 45 40 PRO . 4580 2 46 41 GLY . 4580 2 47 42 GLN . 4580 2 48 43 SER . 4580 2 49 44 PRO . 4580 2 50 45 LYS . 4580 2 51 46 LEU . 4580 2 52 47 LEU . 4580 2 53 48 ILE . 4580 2 54 49 TYR . 4580 2 55 50 LYS . 4580 2 56 51 VAL . 4580 2 57 52 SER . 4580 2 58 53 ASN . 4580 2 59 54 ARG . 4580 2 60 55 PHE . 4580 2 61 56 SER . 4580 2 62 57 GLY . 4580 2 63 58 VAL . 4580 2 64 59 PRO . 4580 2 65 60 ASP . 4580 2 66 61 ARG . 4580 2 67 62 PHE . 4580 2 68 63 SER . 4580 2 69 64 GLY . 4580 2 70 65 SER . 4580 2 71 66 GLY . 4580 2 72 67 SER . 4580 2 73 68 GLY . 4580 2 74 69 THR . 4580 2 75 70 ASP . 4580 2 76 71 PHE . 4580 2 77 72 THR . 4580 2 78 73 LEU . 4580 2 79 74 LYS . 4580 2 80 75 ILE . 4580 2 81 76 SER . 4580 2 82 77 ARG . 4580 2 83 78 VAL . 4580 2 84 79 GLU . 4580 2 85 80 ALA . 4580 2 86 81 GLU . 4580 2 87 82 ASP . 4580 2 88 83 LEU . 4580 2 89 84 GLY . 4580 2 90 85 VAL . 4580 2 91 86 TYR . 4580 2 92 87 PHE . 4580 2 93 88 CYS . 4580 2 94 89 SER . 4580 2 95 90 GLN . 4580 2 96 91 SER . 4580 2 97 92 THR . 4580 2 98 93 HIS . 4580 2 99 94 VAL . 4580 2 100 95 PRO . 4580 2 101 96 PHE . 4580 2 102 97 THR . 4580 2 103 98 PHE . 4580 2 104 99 GLY . 4580 2 105 100 SER . 4580 2 106 101 GLY . 4580 2 107 102 THR . 4580 2 108 103 LYS . 4580 2 109 104 LEU . 4580 2 110 105 GLU . 4580 2 111 106 ILE . 4580 2 112 107 LYS . 4580 2 113 108 ARG . 4580 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 . ASP 1 1 4580 2 . VAL 2 2 4580 2 . VAL 3 3 4580 2 . MET 4 4 4580 2 . THR 5 5 4580 2 . GLN 6 6 4580 2 . THR 7 7 4580 2 . PRO 8 8 4580 2 . LEU 9 9 4580 2 . SER 10 10 4580 2 . LEU 11 11 4580 2 . PRO 12 12 4580 2 . VAL 13 13 4580 2 . SER 14 14 4580 2 . LEU 15 15 4580 2 . GLY 16 16 4580 2 . ASN 17 17 4580 2 . GLN 18 18 4580 2 . ALA 19 19 4580 2 . SER 20 20 4580 2 . ILE 21 21 4580 2 . SER 22 22 4580 2 . CYS 23 23 4580 2 . ARG 24 24 4580 2 . SER 25 25 4580 2 . SER 26 26 4580 2 . GLN 27 27 4580 2 . SER 28 28 4580 2 . LEU 29 29 4580 2 . VAL 30 30 4580 2 . HIS 31 31 4580 2 . SER 32 32 4580 2 . ASN 33 33 4580 2 . GLY 34 34 4580 2 . ASN 35 35 4580 2 . THR 36 36 4580 2 . TYR 37 37 4580 2 . LEU 38 38 4580 2 . HIS 39 39 4580 2 . TRP 40 40 4580 2 . TYR 41 41 4580 2 . LEU 42 42 4580 2 . GLN 43 43 4580 2 . LYS 44 44 4580 2 . PRO 45 45 4580 2 . GLY 46 46 4580 2 . GLN 47 47 4580 2 . SER 48 48 4580 2 . PRO 49 49 4580 2 . LYS 50 50 4580 2 . LEU 51 51 4580 2 . LEU 52 52 4580 2 . ILE 53 53 4580 2 . TYR 54 54 4580 2 . LYS 55 55 4580 2 . VAL 56 56 4580 2 . SER 57 57 4580 2 . ASN 58 58 4580 2 . ARG 59 59 4580 2 . PHE 60 60 4580 2 . SER 61 61 4580 2 . GLY 62 62 4580 2 . VAL 63 63 4580 2 . PRO 64 64 4580 2 . ASP 65 65 4580 2 . ARG 66 66 4580 2 . PHE 67 67 4580 2 . SER 68 68 4580 2 . GLY 69 69 4580 2 . SER 70 70 4580 2 . GLY 71 71 4580 2 . SER 72 72 4580 2 . GLY 73 73 4580 2 . THR 74 74 4580 2 . ASP 75 75 4580 2 . PHE 76 76 4580 2 . THR 77 77 4580 2 . LEU 78 78 4580 2 . LYS 79 79 4580 2 . ILE 80 80 4580 2 . SER 81 81 4580 2 . ARG 82 82 4580 2 . VAL 83 83 4580 2 . GLU 84 84 4580 2 . ALA 85 85 4580 2 . GLU 86 86 4580 2 . ASP 87 87 4580 2 . LEU 88 88 4580 2 . GLY 89 89 4580 2 . VAL 90 90 4580 2 . TYR 91 91 4580 2 . PHE 92 92 4580 2 . CYS 93 93 4580 2 . SER 94 94 4580 2 . GLN 95 95 4580 2 . SER 96 96 4580 2 . THR 97 97 4580 2 . HIS 98 98 4580 2 . VAL 99 99 4580 2 . PRO 100 100 4580 2 . PHE 101 101 4580 2 . THR 102 102 4580 2 . PHE 103 103 4580 2 . GLY 104 104 4580 2 . SER 105 105 4580 2 . GLY 106 106 4580 2 . THR 107 107 4580 2 . LYS 108 108 4580 2 . LEU 109 109 4580 2 . GLU 110 110 4580 2 . ILE 111 111 4580 2 . LYS 112 112 4580 2 . ARG 113 113 4580 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 4580 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VH_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . '27-1B10.7 murine-murine hybridoma' 'B-lymphocyte, anti-dansyl monoclonal antibody, IgG2a(s)' . . . . . . . . . . ; The Fv fragment, which is a heterodimer composed of VH domain and VL domain, is prepared from IgG2a(s) by a limited proteolytic digestion using clostripin. ; . . 4580 1 2 2 $VL_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . '27-1B10.7 murine-murine hybridoma' 'B-lymphocyte, anti-dansyl monoclonal antibody, IgG2a(s)' . . . . . . . . . . ; The Fv fragment, which is a heterodimer composed of VH domain and VL domain, is prepared from IgG2a(s) by a limited proteolytic digestion using clostripin. ; . . 4580 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 4580 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VH_domain . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4580 1 2 2 $VL_domain . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4580 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4580 _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 'VH domain' '[U-95% 13C; U-95% 15N(except Cys and Trp); [98% 15N]-Cys; [98% 15N]-Trp]' . . 1 $VH_domain . . 1.2 . . mM . . . . 4580 1 2 'VL domain' '[U-95% 13C; U-95% 15N(except Cys and Trp); [98% 15N]-Cys; [98% 15N]-Trp]' . . 2 $VL_domain . . 1.2 . . mM . . . . 4580 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4580 _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 0.05 n/a 4580 1 temperature 310 1 K 4580 1 'ionic strength' 0.35 0.05 M 4580 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4580 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 4580 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4580 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4580 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 4580 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4580 2 stop_ save_ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 4580 _Software.ID 3 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 4580 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4580 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4580 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4580 _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 Bruker DRX . 600 . . . 4580 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 4580 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4580 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4580 1 3 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4580 1 4 '15N edited TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4580 1 5 '15N edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4580 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4580 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4580 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4580 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4580 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4580 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4580 _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 . direct . . . . 1 $entry_citation . . 1 $entry_citation 4580 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4580 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4580 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 4580 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 . 4580 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU CA C 13 55.5 . . 1 . . . . . . . . 4580 1 2 . 1 1 2 2 VAL H H 1 8.50 . . 1 . . . . . . . . 4580 1 3 . 1 1 2 2 VAL CA C 13 63.6 . . 1 . . . . . . . . 4580 1 4 . 1 1 2 2 VAL N N 15 126.2 . . 1 . . . . . . . . 4580 1 5 . 1 1 3 3 LYS H H 1 8.50 . . 1 . . . . . . . . 4580 1 6 . 1 1 3 3 LYS CA C 13 55.9 . . 1 . . . . . . . . 4580 1 7 . 1 1 3 3 LYS N N 15 128.6 . . 1 . . . . . . . . 4580 1 8 . 1 1 4 4 LEU H H 1 8.36 . . 1 . . . . . . . . 4580 1 9 . 1 1 4 4 LEU CA C 13 54.7 . . 1 . . . . . . . . 4580 1 10 . 1 1 4 4 LEU N N 15 126.9 . . 1 . . . . . . . . 4580 1 11 . 1 1 5 5 GLU H H 1 8.70 . . 1 . . . . . . . . 4580 1 12 . 1 1 5 5 GLU CA C 13 56.1 . . 1 . . . . . . . . 4580 1 13 . 1 1 5 5 GLU N N 15 121.5 . . 1 . . . . . . . . 4580 1 14 . 1 1 6 6 GLU H H 1 10.55 . . 1 . . . . . . . . 4580 1 15 . 1 1 6 6 GLU CA C 13 57.3 . . 1 . . . . . . . . 4580 1 16 . 1 1 6 6 GLU N N 15 131.9 . . 1 . . . . . . . . 4580 1 17 . 1 1 7 7 SER H H 1 9.24 . . 1 . . . . . . . . 4580 1 18 . 1 1 7 7 SER CA C 13 58.2 . . 1 . . . . . . . . 4580 1 19 . 1 1 7 7 SER N N 15 115.4 . . 1 . . . . . . . . 4580 1 20 . 1 1 8 8 GLY H H 1 9.40 . . 1 . . . . . . . . 4580 1 21 . 1 1 8 8 GLY CA C 13 45.3 . . 1 . . . . . . . . 4580 1 22 . 1 1 8 8 GLY N N 15 111.5 . . 1 . . . . . . . . 4580 1 23 . 1 1 9 9 GLY H H 1 8.33 . . 1 . . . . . . . . 4580 1 24 . 1 1 9 9 GLY CA C 13 44.7 . . 1 . . . . . . . . 4580 1 25 . 1 1 9 9 GLY N N 15 109.9 . . 1 . . . . . . . . 4580 1 26 . 1 1 10 10 GLY H H 1 7.40 . . 1 . . . . . . . . 4580 1 27 . 1 1 10 10 GLY CA C 13 44.9 . . 1 . . . . . . . . 4580 1 28 . 1 1 10 10 GLY N N 15 106.6 . . 1 . . . . . . . . 4580 1 29 . 1 1 11 11 LEU H H 1 7.80 . . 1 . . . . . . . . 4580 1 30 . 1 1 11 11 LEU CA C 13 54.5 . . 1 . . . . . . . . 4580 1 31 . 1 1 11 11 LEU N N 15 124.0 . . 1 . . . . . . . . 4580 1 32 . 1 1 12 12 VAL H H 1 8.92 . . 1 . . . . . . . . 4580 1 33 . 1 1 12 12 VAL CA C 13 59.7 . . 1 . . . . . . . . 4580 1 34 . 1 1 12 12 VAL N N 15 125.8 . . 1 . . . . . . . . 4580 1 35 . 1 1 13 13 GLN H H 1 7.95 . . 1 . . . . . . . . 4580 1 36 . 1 1 13 13 GLN CA C 13 54.3 . . 1 . . . . . . . . 4580 1 37 . 1 1 13 13 GLN N N 15 123.9 . . 1 . . . . . . . . 4580 1 38 . 1 1 14 14 PRO CA C 13 63.7 . . 1 . . . . . . . . 4580 1 39 . 1 1 15 15 GLY H H 1 9.68 . . 1 . . . . . . . . 4580 1 40 . 1 1 15 15 GLY CA C 13 45.3 . . 1 . . . . . . . . 4580 1 41 . 1 1 15 15 GLY N N 15 114.8 . . 1 . . . . . . . . 4580 1 42 . 1 1 16 16 GLY H H 1 8.48 . . 1 . . . . . . . . 4580 1 43 . 1 1 16 16 GLY CA C 13 44.7 . . 1 . . . . . . . . 4580 1 44 . 1 1 16 16 GLY N N 15 108.3 . . 1 . . . . . . . . 4580 1 45 . 1 1 17 17 SER H H 1 7.84 . . 1 . . . . . . . . 4580 1 46 . 1 1 17 17 SER CA C 13 56.5 . . 1 . . . . . . . . 4580 1 47 . 1 1 17 17 SER N N 15 110.6 . . 1 . . . . . . . . 4580 1 48 . 1 1 18 18 MET H H 1 8.52 . . 1 . . . . . . . . 4580 1 49 . 1 1 18 18 MET CA C 13 55.3 . . 1 . . . . . . . . 4580 1 50 . 1 1 18 18 MET N N 15 121.2 . . 1 . . . . . . . . 4580 1 51 . 1 1 19 19 LYS H H 1 8.18 . . 1 . . . . . . . . 4580 1 52 . 1 1 19 19 LYS CA C 13 55.0 . . 1 . . . . . . . . 4580 1 53 . 1 1 19 19 LYS N N 15 125.1 . . 1 . . . . . . . . 4580 1 54 . 1 1 20 20 LEU H H 1 8.35 . . 1 . . . . . . . . 4580 1 55 . 1 1 20 20 LEU CA C 13 52.8 . . 1 . . . . . . . . 4580 1 56 . 1 1 20 20 LEU N N 15 126.5 . . 1 . . . . . . . . 4580 1 57 . 1 1 21 21 SER H H 1 8.68 . . 1 . . . . . . . . 4580 1 58 . 1 1 21 21 SER CA C 13 57.0 . . 1 . . . . . . . . 4580 1 59 . 1 1 21 21 SER N N 15 114.9 . . 1 . . . . . . . . 4580 1 60 . 1 1 22 22 CYS H H 1 8.89 . . 1 . . . . . . . . 4580 1 61 . 1 1 22 22 CYS N N 15 124.5 . . 1 . . . . . . . . 4580 1 62 . 1 1 23 23 ALA H H 1 8.64 . . 1 . . . . . . . . 4580 1 63 . 1 1 23 23 ALA CA C 13 51.3 . . 1 . . . . . . . . 4580 1 64 . 1 1 23 23 ALA N N 15 131.0 . . 1 . . . . . . . . 4580 1 65 . 1 1 24 24 THR H H 1 7.75 . . 1 . . . . . . . . 4580 1 66 . 1 1 24 24 THR CA C 13 60.3 . . 1 . . . . . . . . 4580 1 67 . 1 1 24 24 THR N N 15 112.2 . . 1 . . . . . . . . 4580 1 68 . 1 1 25 25 SER H H 1 8.68 . . 1 . . . . . . . . 4580 1 69 . 1 1 25 25 SER CA C 13 58.7 . . 1 . . . . . . . . 4580 1 70 . 1 1 25 25 SER N N 15 113.8 . . 1 . . . . . . . . 4580 1 71 . 1 1 26 26 GLY H H 1 8.61 . . 1 . . . . . . . . 4580 1 72 . 1 1 26 26 GLY CA C 13 46.3 . . 1 . . . . . . . . 4580 1 73 . 1 1 26 26 GLY N N 15 108.6 . . 1 . . . . . . . . 4580 1 74 . 1 1 27 27 PHE H H 1 7.23 . . 1 . . . . . . . . 4580 1 75 . 1 1 27 27 PHE CA C 13 55.3 . . 1 . . . . . . . . 4580 1 76 . 1 1 27 27 PHE N N 15 114.7 . . 1 . . . . . . . . 4580 1 77 . 1 1 28 28 THR H H 1 8.69 . . 1 . . . . . . . . 4580 1 78 . 1 1 28 28 THR CA C 13 61.9 . . 1 . . . . . . . . 4580 1 79 . 1 1 28 28 THR N N 15 119.5 . . 1 . . . . . . . . 4580 1 80 . 1 1 29 29 PHE H H 1 8.33 . . 1 . . . . . . . . 4580 1 81 . 1 1 29 29 PHE N N 15 134.6 . . 1 . . . . . . . . 4580 1 82 . 1 1 30 30 SER H H 1 8.60 . . 1 . . . . . . . . 4580 1 83 . 1 1 30 30 SER CA C 13 61.3 . . 1 . . . . . . . . 4580 1 84 . 1 1 30 30 SER N N 15 111.4 . . 1 . . . . . . . . 4580 1 85 . 1 1 31 31 ASP H H 1 9.32 . . 1 . . . . . . . . 4580 1 86 . 1 1 31 31 ASP CA C 13 55.3 . . 1 . . . . . . . . 4580 1 87 . 1 1 31 31 ASP N N 15 127.0 . . 1 . . . . . . . . 4580 1 88 . 1 1 32 32 ALA H H 1 7.49 . . 1 . . . . . . . . 4580 1 89 . 1 1 32 32 ALA CA C 13 52.3 . . 1 . . . . . . . . 4580 1 90 . 1 1 32 32 ALA N N 15 123.3 . . 1 . . . . . . . . 4580 1 91 . 1 1 33 33 TRP H H 1 8.73 . . 1 . . . . . . . . 4580 1 92 . 1 1 33 33 TRP N N 15 125.7 . . 1 . . . . . . . . 4580 1 93 . 1 1 34 34 MET H H 1 8.09 . . 1 . . . . . . . . 4580 1 94 . 1 1 34 34 MET CA C 13 52.4 . . 1 . . . . . . . . 4580 1 95 . 1 1 34 34 MET N N 15 118.6 . . 1 . . . . . . . . 4580 1 96 . 1 1 35 35 ASP H H 1 8.91 . . 1 . . . . . . . . 4580 1 97 . 1 1 35 35 ASP CA C 13 52.5 . . 1 . . . . . . . . 4580 1 98 . 1 1 35 35 ASP N N 15 119.7 . . 1 . . . . . . . . 4580 1 99 . 1 1 36 36 TRP H H 1 8.32 . . 1 . . . . . . . . 4580 1 100 . 1 1 36 36 TRP N N 15 115.5 . . 1 . . . . . . . . 4580 1 101 . 1 1 37 37 VAL H H 1 9.22 . . 1 . . . . . . . . 4580 1 102 . 1 1 37 37 VAL CA C 13 60.7 . . 1 . . . . . . . . 4580 1 103 . 1 1 37 37 VAL N N 15 125.1 . . 1 . . . . . . . . 4580 1 104 . 1 1 38 38 ARG H H 1 9.35 . . 1 . . . . . . . . 4580 1 105 . 1 1 38 38 ARG CA C 13 52.7 . . 1 . . . . . . . . 4580 1 106 . 1 1 38 38 ARG N N 15 124.4 . . 1 . . . . . . . . 4580 1 107 . 1 1 39 39 GLN H H 1 9.25 . . 1 . . . . . . . . 4580 1 108 . 1 1 39 39 GLN CA C 13 54.0 . . 1 . . . . . . . . 4580 1 109 . 1 1 39 39 GLN N N 15 122.7 . . 1 . . . . . . . . 4580 1 110 . 1 1 40 40 SER H H 1 8.56 . . 1 . . . . . . . . 4580 1 111 . 1 1 40 40 SER CA C 13 55.7 . . 1 . . . . . . . . 4580 1 112 . 1 1 40 40 SER N N 15 123.4 . . 1 . . . . . . . . 4580 1 113 . 1 1 41 41 PRO CA C 13 65.3 . . 1 . . . . . . . . 4580 1 114 . 1 1 42 42 GLU H H 1 8.37 . . 1 . . . . . . . . 4580 1 115 . 1 1 42 42 GLU CA C 13 58.8 . . 1 . . . . . . . . 4580 1 116 . 1 1 42 42 GLU N N 15 115.0 . . 1 . . . . . . . . 4580 1 117 . 1 1 43 43 LYS H H 1 7.54 . . 1 . . . . . . . . 4580 1 118 . 1 1 43 43 LYS CA C 13 55.8 . . 1 . . . . . . . . 4580 1 119 . 1 1 43 43 LYS N N 15 116.3 . . 1 . . . . . . . . 4580 1 120 . 1 1 44 44 GLY H H 1 9.03 . . 1 . . . . . . . . 4580 1 121 . 1 1 44 44 GLY CA C 13 45.7 . . 1 . . . . . . . . 4580 1 122 . 1 1 44 44 GLY N N 15 116.7 . . 1 . . . . . . . . 4580 1 123 . 1 1 45 45 LEU H H 1 7.93 . . 1 . . . . . . . . 4580 1 124 . 1 1 45 45 LEU CA C 13 54.4 . . 1 . . . . . . . . 4580 1 125 . 1 1 45 45 LEU N N 15 124.4 . . 1 . . . . . . . . 4580 1 126 . 1 1 46 46 GLU H H 1 9.19 . . 1 . . . . . . . . 4580 1 127 . 1 1 46 46 GLU CA C 13 54.9 . . 1 . . . . . . . . 4580 1 128 . 1 1 46 46 GLU N N 15 122.3 . . 1 . . . . . . . . 4580 1 129 . 1 1 47 47 TRP H H 1 9.81 . . 1 . . . . . . . . 4580 1 130 . 1 1 47 47 TRP N N 15 129.7 . . 1 . . . . . . . . 4580 1 131 . 1 1 48 48 VAL H H 1 7.79 . . 1 . . . . . . . . 4580 1 132 . 1 1 48 48 VAL CA C 13 63.1 . . 1 . . . . . . . . 4580 1 133 . 1 1 48 48 VAL N N 15 123.3 . . 1 . . . . . . . . 4580 1 134 . 1 1 49 49 ALA H H 1 6.64 . . 1 . . . . . . . . 4580 1 135 . 1 1 49 49 ALA CA C 13 51.7 . . 1 . . . . . . . . 4580 1 136 . 1 1 49 49 ALA N N 15 115.4 . . 1 . . . . . . . . 4580 1 137 . 1 1 50 50 GLU H H 1 8.96 . . 1 . . . . . . . . 4580 1 138 . 1 1 50 50 GLU CA C 13 55.3 . . 1 . . . . . . . . 4580 1 139 . 1 1 50 50 GLU N N 15 120.8 . . 1 . . . . . . . . 4580 1 140 . 1 1 51 51 ILE H H 1 9.36 . . 1 . . . . . . . . 4580 1 141 . 1 1 51 51 ILE CA C 13 58.4 . . 1 . . . . . . . . 4580 1 142 . 1 1 51 51 ILE N N 15 123.4 . . 1 . . . . . . . . 4580 1 143 . 1 1 52 52 ARG H H 1 8.93 . . 1 . . . . . . . . 4580 1 144 . 1 1 52 52 ARG CA C 13 56.3 . . 1 . . . . . . . . 4580 1 145 . 1 1 52 52 ARG N N 15 126.6 . . 1 . . . . . . . . 4580 1 146 . 1 1 53 53 ASN H H 1 7.01 . . 1 . . . . . . . . 4580 1 147 . 1 1 53 53 ASN CA C 13 52.3 . . 1 . . . . . . . . 4580 1 148 . 1 1 53 53 ASN N N 15 115.1 . . 1 . . . . . . . . 4580 1 149 . 1 1 54 54 LYS H H 1 9.44 . . 1 . . . . . . . . 4580 1 150 . 1 1 54 54 LYS N N 15 127.8 . . 1 . . . . . . . . 4580 1 151 . 1 1 55 55 ALA H H 1 8.21 . . 1 . . . . . . . . 4580 1 152 . 1 1 55 55 ALA CA C 13 54.4 . . 1 . . . . . . . . 4580 1 153 . 1 1 55 55 ALA N N 15 122.9 . . 1 . . . . . . . . 4580 1 154 . 1 1 56 56 ASN H H 1 7.24 . . 1 . . . . . . . . 4580 1 155 . 1 1 56 56 ASN CA C 13 53.3 . . 1 . . . . . . . . 4580 1 156 . 1 1 56 56 ASN N N 15 115.4 . . 1 . . . . . . . . 4580 1 157 . 1 1 57 57 ASN H H 1 8.14 . . 1 . . . . . . . . 4580 1 158 . 1 1 57 57 ASN CA C 13 54.6 . . 1 . . . . . . . . 4580 1 159 . 1 1 57 57 ASN N N 15 116.6 . . 1 . . . . . . . . 4580 1 160 . 1 1 58 58 HIS H H 1 8.20 . . 1 . . . . . . . . 4580 1 161 . 1 1 58 58 HIS CA C 13 56.1 . . 1 . . . . . . . . 4580 1 162 . 1 1 58 58 HIS N N 15 111.9 . . 1 . . . . . . . . 4580 1 163 . 1 1 59 59 ALA H H 1 6.79 . . 1 . . . . . . . . 4580 1 164 . 1 1 59 59 ALA CA C 13 53.8 . . 1 . . . . . . . . 4580 1 165 . 1 1 59 59 ALA N N 15 118.7 . . 1 . . . . . . . . 4580 1 166 . 1 1 60 60 THR H H 1 7.66 . . 1 . . . . . . . . 4580 1 167 . 1 1 60 60 THR CA C 13 58.6 . . 1 . . . . . . . . 4580 1 168 . 1 1 60 60 THR N N 15 109.4 . . 1 . . . . . . . . 4580 1 169 . 1 1 61 61 TYR H H 1 8.29 . . 1 . . . . . . . . 4580 1 170 . 1 1 61 61 TYR CA C 13 57.3 . . 1 . . . . . . . . 4580 1 171 . 1 1 61 61 TYR N N 15 120.4 . . 1 . . . . . . . . 4580 1 172 . 1 1 62 62 TYR H H 1 8.66 . . 1 . . . . . . . . 4580 1 173 . 1 1 62 62 TYR CA C 13 57.1 . . 1 . . . . . . . . 4580 1 174 . 1 1 62 62 TYR N N 15 117.9 . . 1 . . . . . . . . 4580 1 175 . 1 1 63 63 ALA H H 1 7.79 . . 1 . . . . . . . . 4580 1 176 . 1 1 63 63 ALA CA C 13 52.3 . . 1 . . . . . . . . 4580 1 177 . 1 1 63 63 ALA N N 15 126.1 . . 1 . . . . . . . . 4580 1 178 . 1 1 64 64 GLU H H 1 9.27 . . 1 . . . . . . . . 4580 1 179 . 1 1 64 64 GLU CA C 13 59.9 . . 1 . . . . . . . . 4580 1 180 . 1 1 64 64 GLU N N 15 124.3 . . 1 . . . . . . . . 4580 1 181 . 1 1 65 65 SER H H 1 8.17 . . 1 . . . . . . . . 4580 1 182 . 1 1 65 65 SER CA C 13 60.1 . . 1 . . . . . . . . 4580 1 183 . 1 1 65 65 SER N N 15 110.3 . . 1 . . . . . . . . 4580 1 184 . 1 1 66 66 VAL H H 1 7.20 . . 1 . . . . . . . . 4580 1 185 . 1 1 66 66 VAL CA C 13 60.3 . . 1 . . . . . . . . 4580 1 186 . 1 1 66 66 VAL N N 15 112.3 . . 1 . . . . . . . . 4580 1 187 . 1 1 67 67 LYS H H 1 7.23 . . 1 . . . . . . . . 4580 1 188 . 1 1 67 67 LYS CA C 13 58.4 . . 1 . . . . . . . . 4580 1 189 . 1 1 67 67 LYS N N 15 126.3 . . 1 . . . . . . . . 4580 1 190 . 1 1 68 68 GLY H H 1 8.08 . . 1 . . . . . . . . 4580 1 191 . 1 1 68 68 GLY CA C 13 45.4 . . 1 . . . . . . . . 4580 1 192 . 1 1 68 68 GLY N N 15 109.7 . . 1 . . . . . . . . 4580 1 193 . 1 1 69 69 ARG H H 1 7.63 . . 1 . . . . . . . . 4580 1 194 . 1 1 69 69 ARG CA C 13 57.3 . . 1 . . . . . . . . 4580 1 195 . 1 1 69 69 ARG N N 15 117.8 . . 1 . . . . . . . . 4580 1 196 . 1 1 70 70 PHE H H 1 7.40 . . 1 . . . . . . . . 4580 1 197 . 1 1 70 70 PHE CA C 13 52.7 . . 1 . . . . . . . . 4580 1 198 . 1 1 70 70 PHE N N 15 120.4 . . 1 . . . . . . . . 4580 1 199 . 1 1 71 71 THR H H 1 9.00 . . 1 . . . . . . . . 4580 1 200 . 1 1 71 71 THR CA C 13 61.3 . . 1 . . . . . . . . 4580 1 201 . 1 1 71 71 THR N N 15 113.8 . . 1 . . . . . . . . 4580 1 202 . 1 1 72 72 ILE H H 1 9.29 . . 1 . . . . . . . . 4580 1 203 . 1 1 72 72 ILE CA C 13 58.5 . . 1 . . . . . . . . 4580 1 204 . 1 1 72 72 ILE N N 15 133.0 . . 1 . . . . . . . . 4580 1 205 . 1 1 73 73 SER H H 1 8.59 . . 1 . . . . . . . . 4580 1 206 . 1 1 73 73 SER CA C 13 57.7 . . 1 . . . . . . . . 4580 1 207 . 1 1 73 73 SER N N 15 120.0 . . 1 . . . . . . . . 4580 1 208 . 1 1 74 74 ARG H H 1 9.12 . . 1 . . . . . . . . 4580 1 209 . 1 1 74 74 ARG CA C 13 54.7 . . 1 . . . . . . . . 4580 1 210 . 1 1 74 74 ARG N N 15 117.4 . . 1 . . . . . . . . 4580 1 211 . 1 1 75 75 ASP H H 1 7.32 . . 1 . . . . . . . . 4580 1 212 . 1 1 75 75 ASP CA C 13 52.3 . . 1 . . . . . . . . 4580 1 213 . 1 1 75 75 ASP N N 15 118.7 . . 1 . . . . . . . . 4580 1 214 . 1 1 76 76 ASP H H 1 7.33 . . 1 . . . . . . . . 4580 1 215 . 1 1 76 76 ASP CA C 13 57.4 . . 1 . . . . . . . . 4580 1 216 . 1 1 76 76 ASP N N 15 118.6 . . 1 . . . . . . . . 4580 1 217 . 1 1 77 77 SER H H 1 8.49 . . 1 . . . . . . . . 4580 1 218 . 1 1 77 77 SER CA C 13 61.3 . . 1 . . . . . . . . 4580 1 219 . 1 1 77 77 SER N N 15 117.5 . . 1 . . . . . . . . 4580 1 220 . 1 1 78 78 LYS H H 1 7.32 . . 1 . . . . . . . . 4580 1 221 . 1 1 78 78 LYS CA C 13 55.7 . . 1 . . . . . . . . 4580 1 222 . 1 1 78 78 LYS N N 15 119.3 . . 1 . . . . . . . . 4580 1 223 . 1 1 79 79 ARG H H 1 7.63 . . 1 . . . . . . . . 4580 1 224 . 1 1 79 79 ARG CA C 13 55.7 . . 1 . . . . . . . . 4580 1 225 . 1 1 79 79 ARG N N 15 117.8 . . 1 . . . . . . . . 4580 1 226 . 1 1 80 80 ARG H H 1 6.98 . . 1 . . . . . . . . 4580 1 227 . 1 1 80 80 ARG CA C 13 53.8 . . 1 . . . . . . . . 4580 1 228 . 1 1 80 80 ARG N N 15 116.1 . . 1 . . . . . . . . 4580 1 229 . 1 1 81 81 VAL H H 1 8.33 . . 1 . . . . . . . . 4580 1 230 . 1 1 81 81 VAL CA C 13 59.3 . . 1 . . . . . . . . 4580 1 231 . 1 1 81 81 VAL N N 15 119.1 . . 1 . . . . . . . . 4580 1 232 . 1 1 82 82 TYR H H 1 8.97 . . 1 . . . . . . . . 4580 1 233 . 1 1 82 82 TYR CA C 13 56.4 . . 1 . . . . . . . . 4580 1 234 . 1 1 82 82 TYR N N 15 123.7 . . 1 . . . . . . . . 4580 1 235 . 1 1 83 83 LEU H H 1 8.64 . . 1 . . . . . . . . 4580 1 236 . 1 1 83 83 LEU CA C 13 53.7 . . 1 . . . . . . . . 4580 1 237 . 1 1 83 83 LEU N N 15 123.6 . . 1 . . . . . . . . 4580 1 238 . 1 1 84 84 GLN H H 1 8.97 . . 1 . . . . . . . . 4580 1 239 . 1 1 84 84 GLN CA C 13 54.9 . . 1 . . . . . . . . 4580 1 240 . 1 1 84 84 GLN N N 15 129.3 . . 1 . . . . . . . . 4580 1 241 . 1 1 85 85 MET H H 1 8.75 . . 1 . . . . . . . . 4580 1 242 . 1 1 85 85 MET CA C 13 54.7 . . 1 . . . . . . . . 4580 1 243 . 1 1 85 85 MET N N 15 127.7 . . 1 . . . . . . . . 4580 1 244 . 1 1 86 86 ASN H H 1 7.81 . . 1 . . . . . . . . 4580 1 245 . 1 1 86 86 ASN CA C 13 51.7 . . 1 . . . . . . . . 4580 1 246 . 1 1 86 86 ASN N N 15 121.7 . . 1 . . . . . . . . 4580 1 247 . 1 1 87 87 THR H H 1 8.27 . . 1 . . . . . . . . 4580 1 248 . 1 1 87 87 THR CA C 13 61.6 . . 1 . . . . . . . . 4580 1 249 . 1 1 87 87 THR N N 15 112.5 . . 1 . . . . . . . . 4580 1 250 . 1 1 88 88 LEU H H 1 8.01 . . 1 . . . . . . . . 4580 1 251 . 1 1 88 88 LEU CA C 13 56.5 . . 1 . . . . . . . . 4580 1 252 . 1 1 88 88 LEU N N 15 119.9 . . 1 . . . . . . . . 4580 1 253 . 1 1 89 89 ARG H H 1 9.56 . . 1 . . . . . . . . 4580 1 254 . 1 1 89 89 ARG CA C 13 53.8 . . 1 . . . . . . . . 4580 1 255 . 1 1 89 89 ARG N N 15 121.8 . . 1 . . . . . . . . 4580 1 256 . 1 1 90 90 ALA H H 1 9.06 . . 1 . . . . . . . . 4580 1 257 . 1 1 90 90 ALA CA C 13 56.3 . . 1 . . . . . . . . 4580 1 258 . 1 1 90 90 ALA N N 15 126.2 . . 1 . . . . . . . . 4580 1 259 . 1 1 91 91 GLU H H 1 9.25 . . 1 . . . . . . . . 4580 1 260 . 1 1 91 91 GLU CA C 13 58.7 . . 1 . . . . . . . . 4580 1 261 . 1 1 91 91 GLU N N 15 115.4 . . 1 . . . . . . . . 4580 1 262 . 1 1 92 92 ASP H H 1 8.49 . . 1 . . . . . . . . 4580 1 263 . 1 1 92 92 ASP CA C 13 55.3 . . 1 . . . . . . . . 4580 1 264 . 1 1 92 92 ASP N N 15 119.3 . . 1 . . . . . . . . 4580 1 265 . 1 1 93 93 THR H H 1 7.74 . . 1 . . . . . . . . 4580 1 266 . 1 1 93 93 THR CA C 13 64.5 . . 1 . . . . . . . . 4580 1 267 . 1 1 93 93 THR N N 15 120.3 . . 1 . . . . . . . . 4580 1 268 . 1 1 94 94 GLY H H 1 9.44 . . 1 . . . . . . . . 4580 1 269 . 1 1 94 94 GLY CA C 13 45.3 . . 1 . . . . . . . . 4580 1 270 . 1 1 94 94 GLY N N 15 115.5 . . 1 . . . . . . . . 4580 1 271 . 1 1 95 95 ILE H H 1 8.34 . . 1 . . . . . . . . 4580 1 272 . 1 1 95 95 ILE CA C 13 61.0 . . 1 . . . . . . . . 4580 1 273 . 1 1 95 95 ILE N N 15 121.2 . . 1 . . . . . . . . 4580 1 274 . 1 1 96 96 TYR H H 1 9.20 . . 1 . . . . . . . . 4580 1 275 . 1 1 96 96 TYR CA C 13 58.3 . . 1 . . . . . . . . 4580 1 276 . 1 1 96 96 TYR N N 15 128.3 . . 1 . . . . . . . . 4580 1 277 . 1 1 97 97 TYR H H 1 9.72 . . 1 . . . . . . . . 4580 1 278 . 1 1 97 97 TYR CA C 13 56.3 . . 1 . . . . . . . . 4580 1 279 . 1 1 97 97 TYR N N 15 121.4 . . 1 . . . . . . . . 4580 1 280 . 1 1 98 98 CYS H H 1 10.74 . . 1 . . . . . . . . 4580 1 281 . 1 1 98 98 CYS N N 15 124.8 . . 1 . . . . . . . . 4580 1 282 . 1 1 99 99 THR H H 1 7.96 . . 1 . . . . . . . . 4580 1 283 . 1 1 99 99 THR CA C 13 59.3 . . 1 . . . . . . . . 4580 1 284 . 1 1 99 99 THR N N 15 120.2 . . 1 . . . . . . . . 4580 1 285 . 1 1 100 100 GLY H H 1 8.25 . . 1 . . . . . . . . 4580 1 286 . 1 1 100 100 GLY CA C 13 46.1 . . 1 . . . . . . . . 4580 1 287 . 1 1 100 100 GLY N N 15 109.2 . . 1 . . . . . . . . 4580 1 288 . 1 1 101 101 ILE H H 1 8.80 . . 1 . . . . . . . . 4580 1 289 . 1 1 101 101 ILE N N 15 114.6 . . 1 . . . . . . . . 4580 1 290 . 1 1 102 102 TYR H H 1 7.02 . . 1 . . . . . . . . 4580 1 291 . 1 1 102 102 TYR N N 15 119.1 . . 1 . . . . . . . . 4580 1 292 . 1 1 103 103 TYR H H 1 8.07 . . 1 . . . . . . . . 4580 1 293 . 1 1 103 103 TYR CA C 13 62.0 . . 1 . . . . . . . . 4580 1 294 . 1 1 103 103 TYR N N 15 122.6 . . 1 . . . . . . . . 4580 1 295 . 1 1 104 104 HIS H H 1 7.55 . . 1 . . . . . . . . 4580 1 296 . 1 1 104 104 HIS N N 15 113.9 . . 1 . . . . . . . . 4580 1 297 . 1 1 105 105 TYR H H 1 7.13 . . 1 . . . . . . . . 4580 1 298 . 1 1 105 105 TYR N N 15 117.7 . . 1 . . . . . . . . 4580 1 299 . 1 1 107 107 TRP N N 15 122.34 . . 1 . . . . . . . . 4580 1 300 . 1 1 108 108 PHE H H 1 7.59 . . 1 . . . . . . . . 4580 1 301 . 1 1 108 108 PHE N N 15 119.3 . . 1 . . . . . . . . 4580 1 302 . 1 1 110 110 TYR H H 1 7.42 . . 1 . . . . . . . . 4580 1 303 . 1 1 110 110 TYR CA C 13 56.4 . . 1 . . . . . . . . 4580 1 304 . 1 1 110 110 TYR N N 15 114.9 . . 1 . . . . . . . . 4580 1 305 . 1 1 111 111 TRP H H 1 8.89 . . 1 . . . . . . . . 4580 1 306 . 1 1 111 111 TRP N N 15 125.7 . . 1 . . . . . . . . 4580 1 307 . 1 1 112 112 GLY H H 1 8.53 . . 1 . . . . . . . . 4580 1 308 . 1 1 112 112 GLY CA C 13 45.7 . . 1 . . . . . . . . 4580 1 309 . 1 1 112 112 GLY N N 15 110.8 . . 1 . . . . . . . . 4580 1 310 . 1 1 113 113 GLN H H 1 8.61 . . 1 . . . . . . . . 4580 1 311 . 1 1 113 113 GLN CA C 13 57.3 . . 1 . . . . . . . . 4580 1 312 . 1 1 113 113 GLN N N 15 118.3 . . 1 . . . . . . . . 4580 1 313 . 1 1 114 114 GLY H H 1 7.69 . . 1 . . . . . . . . 4580 1 314 . 1 1 114 114 GLY CA C 13 44.3 . . 1 . . . . . . . . 4580 1 315 . 1 1 114 114 GLY N N 15 108.1 . . 1 . . . . . . . . 4580 1 316 . 1 1 115 115 THR H H 1 8.31 . . 1 . . . . . . . . 4580 1 317 . 1 1 115 115 THR CA C 13 59.8 . . 1 . . . . . . . . 4580 1 318 . 1 1 115 115 THR N N 15 117.2 . . 1 . . . . . . . . 4580 1 319 . 1 1 116 116 LEU H H 1 8.20 . . 1 . . . . . . . . 4580 1 320 . 1 1 116 116 LEU CA C 13 56.0 . . 1 . . . . . . . . 4580 1 321 . 1 1 116 116 LEU N N 15 132.4 . . 1 . . . . . . . . 4580 1 322 . 1 1 117 117 VAL H H 1 9.04 . . 1 . . . . . . . . 4580 1 323 . 1 1 117 117 VAL CA C 13 62.3 . . 1 . . . . . . . . 4580 1 324 . 1 1 117 117 VAL N N 15 130.2 . . 1 . . . . . . . . 4580 1 325 . 1 1 118 118 THR H H 1 8.30 . . 1 . . . . . . . . 4580 1 326 . 1 1 118 118 THR CA C 13 62.0 . . 1 . . . . . . . . 4580 1 327 . 1 1 118 118 THR N N 15 124.5 . . 1 . . . . . . . . 4580 1 328 . 1 1 119 119 VAL H H 1 8.22 . . 1 . . . . . . . . 4580 1 329 . 1 1 119 119 VAL CA C 13 60.0 . . 1 . . . . . . . . 4580 1 330 . 1 1 119 119 VAL N N 15 128.8 . . 1 . . . . . . . . 4580 1 331 . 1 1 120 120 SER H H 1 8.36 . . 1 . . . . . . . . 4580 1 332 . 1 1 120 120 SER CA C 13 57.3 . . 1 . . . . . . . . 4580 1 333 . 1 1 120 120 SER N N 15 120.7 . . 1 . . . . . . . . 4580 1 334 . 1 1 121 121 ALA H H 1 8.63 . . 1 . . . . . . . . 4580 1 335 . 1 1 121 121 ALA CA C 13 52.1 . . 1 . . . . . . . . 4580 1 336 . 1 1 121 121 ALA N N 15 128.4 . . 1 . . . . . . . . 4580 1 337 . 1 1 122 122 GLU H H 1 8.14 . . 1 . . . . . . . . 4580 1 338 . 1 1 122 122 GLU CA C 13 54.6 . . 1 . . . . . . . . 4580 1 339 . 1 1 122 122 GLU N N 15 121.4 . . 1 . . . . . . . . 4580 1 340 . 1 1 123 123 PRO CA C 13 63.5 . . 1 . . . . . . . . 4580 1 341 . 1 1 124 124 ARG H H 1 7.79 . . 1 . . . . . . . . 4580 1 342 . 1 1 124 124 ARG CA C 13 57.3 . . 1 . . . . . . . . 4580 1 343 . 1 1 124 124 ARG N N 15 127.0 . . 1 . . . . . . . . 4580 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4580 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 . 4580 2 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 . 2 2 1 1 ASP CA C 13 53.4 . . 1 . . . . . . . . 4580 2 2 . 2 2 2 2 VAL H H 1 9.14 . . 1 . . . . . . . . 4580 2 3 . 2 2 2 2 VAL CA C 13 64.0 . . 1 . . . . . . . . 4580 2 4 . 2 2 2 2 VAL N N 15 123.7 . . 1 . . . . . . . . 4580 2 5 . 2 2 3 3 VAL H H 1 8.43 . . 1 . . . . . . . . 4580 2 6 . 2 2 3 3 VAL CA C 13 62.7 . . 1 . . . . . . . . 4580 2 7 . 2 2 3 3 VAL N N 15 132.9 . . 1 . . . . . . . . 4580 2 8 . 2 2 4 4 MET H H 1 9.00 . . 1 . . . . . . . . 4580 2 9 . 2 2 4 4 MET CA C 13 52.3 . . 1 . . . . . . . . 4580 2 10 . 2 2 4 4 MET N N 15 128.7 . . 1 . . . . . . . . 4580 2 11 . 2 2 5 5 THR H H 1 9.52 . . 1 . . . . . . . . 4580 2 12 . 2 2 5 5 THR CA C 13 62.3 . . 1 . . . . . . . . 4580 2 13 . 2 2 5 5 THR N N 15 121.5 . . 1 . . . . . . . . 4580 2 14 . 2 2 6 6 GLN H H 1 8.92 . . 1 . . . . . . . . 4580 2 15 . 2 2 6 6 GLN CA C 13 54.7 . . 1 . . . . . . . . 4580 2 16 . 2 2 6 6 GLN N N 15 128.3 . . 1 . . . . . . . . 4580 2 17 . 2 2 7 7 THR H H 1 8.41 . . 1 . . . . . . . . 4580 2 18 . 2 2 7 7 THR CA C 13 59.1 . . 1 . . . . . . . . 4580 2 19 . 2 2 7 7 THR N N 15 116.1 . . 1 . . . . . . . . 4580 2 20 . 2 2 8 8 PRO CA C 13 63.4 . . 1 . . . . . . . . 4580 2 21 . 2 2 9 9 LEU H H 1 8.63 . . 1 . . . . . . . . 4580 2 22 . 2 2 9 9 LEU CA C 13 57.4 . . 1 . . . . . . . . 4580 2 23 . 2 2 9 9 LEU N N 15 119.9 . . 1 . . . . . . . . 4580 2 24 . 2 2 10 10 SER H H 1 7.65 . . 1 . . . . . . . . 4580 2 25 . 2 2 10 10 SER CA C 13 57.3 . . 1 . . . . . . . . 4580 2 26 . 2 2 10 10 SER N N 15 114.5 . . 1 . . . . . . . . 4580 2 27 . 2 2 11 11 LEU H H 1 9.07 . . 1 . . . . . . . . 4580 2 28 . 2 2 11 11 LEU CA C 13 52.0 . . 1 . . . . . . . . 4580 2 29 . 2 2 11 11 LEU N N 15 128.7 . . 1 . . . . . . . . 4580 2 30 . 2 2 12 12 PRO CA C 13 60.9 . . 1 . . . . . . . . 4580 2 31 . 2 2 13 13 VAL H H 1 9.05 . . 1 . . . . . . . . 4580 2 32 . 2 2 13 13 VAL CA C 13 59.6 . . 1 . . . . . . . . 4580 2 33 . 2 2 13 13 VAL N N 15 121.9 . . 1 . . . . . . . . 4580 2 34 . 2 2 14 14 SER H H 1 8.00 . . 1 . . . . . . . . 4580 2 35 . 2 2 14 14 SER CA C 13 57.5 . . 1 . . . . . . . . 4580 2 36 . 2 2 14 14 SER N N 15 119.1 . . 1 . . . . . . . . 4580 2 37 . 2 2 15 15 LEU H H 1 8.52 . . 1 . . . . . . . . 4580 2 38 . 2 2 15 15 LEU CA C 13 56.8 . . 1 . . . . . . . . 4580 2 39 . 2 2 15 15 LEU N N 15 124.0 . . 1 . . . . . . . . 4580 2 40 . 2 2 16 16 GLY H H 1 9.34 . . 1 . . . . . . . . 4580 2 41 . 2 2 16 16 GLY CA C 13 45.1 . . 1 . . . . . . . . 4580 2 42 . 2 2 16 16 GLY N N 15 112.1 . . 1 . . . . . . . . 4580 2 43 . 2 2 17 17 ASN H H 1 7.68 . . 1 . . . . . . . . 4580 2 44 . 2 2 17 17 ASN CA C 13 52.3 . . 1 . . . . . . . . 4580 2 45 . 2 2 17 17 ASN N N 15 120.1 . . 1 . . . . . . . . 4580 2 46 . 2 2 18 18 GLN H H 1 8.19 . . 1 . . . . . . . . 4580 2 47 . 2 2 18 18 GLN CA C 13 55.3 . . 1 . . . . . . . . 4580 2 48 . 2 2 18 18 GLN N N 15 118.4 . . 1 . . . . . . . . 4580 2 49 . 2 2 19 19 ALA H H 1 8.45 . . 1 . . . . . . . . 4580 2 50 . 2 2 19 19 ALA CA C 13 51.3 . . 1 . . . . . . . . 4580 2 51 . 2 2 19 19 ALA N N 15 123.3 . . 1 . . . . . . . . 4580 2 52 . 2 2 20 20 SER H H 1 7.63 . . 1 . . . . . . . . 4580 2 53 . 2 2 20 20 SER CA C 13 57.1 . . 1 . . . . . . . . 4580 2 54 . 2 2 20 20 SER N N 15 115.4 . . 1 . . . . . . . . 4580 2 55 . 2 2 21 21 ILE H H 1 8.90 . . 1 . . . . . . . . 4580 2 56 . 2 2 21 21 ILE CA C 13 61.3 . . 1 . . . . . . . . 4580 2 57 . 2 2 21 21 ILE N N 15 124.6 . . 1 . . . . . . . . 4580 2 58 . 2 2 22 22 SER H H 1 8.61 . . 1 . . . . . . . . 4580 2 59 . 2 2 22 22 SER CA C 13 58.0 . . 1 . . . . . . . . 4580 2 60 . 2 2 22 22 SER N N 15 120.7 . . 1 . . . . . . . . 4580 2 61 . 2 2 23 23 CYS H H 1 9.23 . . 1 . . . . . . . . 4580 2 62 . 2 2 23 23 CYS N N 15 125.1 . . 1 . . . . . . . . 4580 2 63 . 2 2 24 24 ARG H H 1 8.90 . . 1 . . . . . . . . 4580 2 64 . 2 2 24 24 ARG CA C 13 53.4 . . 1 . . . . . . . . 4580 2 65 . 2 2 24 24 ARG N N 15 124.6 . . 1 . . . . . . . . 4580 2 66 . 2 2 25 25 SER H H 1 9.36 . . 1 . . . . . . . . 4580 2 67 . 2 2 25 25 SER CA C 13 56.3 . . 1 . . . . . . . . 4580 2 68 . 2 2 25 25 SER N N 15 119.5 . . 1 . . . . . . . . 4580 2 69 . 2 2 26 26 SER H H 1 8.21 . . 1 . . . . . . . . 4580 2 70 . 2 2 26 26 SER CA C 13 60.3 . . 1 . . . . . . . . 4580 2 71 . 2 2 26 26 SER N N 15 115.5 . . 1 . . . . . . . . 4580 2 72 . 2 2 27 27 GLN H H 1 7.20 . . 1 . . . . . . . . 4580 2 73 . 2 2 27 27 GLN CA C 13 53.8 . . 1 . . . . . . . . 4580 2 74 . 2 2 27 27 GLN N N 15 116.8 . . 1 . . . . . . . . 4580 2 75 . 2 2 28 28 SER H H 1 8.14 . . 1 . . . . . . . . 4580 2 76 . 2 2 28 28 SER CA C 13 59.3 . . 1 . . . . . . . . 4580 2 77 . 2 2 28 28 SER N N 15 121.4 . . 1 . . . . . . . . 4580 2 78 . 2 2 29 29 LEU H H 1 8.51 . . 1 . . . . . . . . 4580 2 79 . 2 2 29 29 LEU CA C 13 53.7 . . 1 . . . . . . . . 4580 2 80 . 2 2 29 29 LEU N N 15 125.3 . . 1 . . . . . . . . 4580 2 81 . 2 2 30 30 VAL H H 1 7.98 . . 1 . . . . . . . . 4580 2 82 . 2 2 30 30 VAL CA C 13 63.7 . . 1 . . . . . . . . 4580 2 83 . 2 2 30 30 VAL N N 15 124.8 . . 1 . . . . . . . . 4580 2 84 . 2 2 31 31 HIS H H 1 9.24 . . 1 . . . . . . . . 4580 2 85 . 2 2 31 31 HIS CA C 13 57.7 . . 1 . . . . . . . . 4580 2 86 . 2 2 31 31 HIS N N 15 133.4 . . 1 . . . . . . . . 4580 2 87 . 2 2 32 32 SER H H 1 7.77 . . 1 . . . . . . . . 4580 2 88 . 2 2 32 32 SER CA C 13 62.3 . . 1 . . . . . . . . 4580 2 89 . 2 2 32 32 SER N N 15 127.0 . . 1 . . . . . . . . 4580 2 90 . 2 2 33 33 ASN H H 1 12.40 . . 1 . . . . . . . . 4580 2 91 . 2 2 33 33 ASN CA C 13 53.0 . . 1 . . . . . . . . 4580 2 92 . 2 2 33 33 ASN N N 15 125.5 . . 1 . . . . . . . . 4580 2 93 . 2 2 34 34 GLY H H 1 8.37 . . 1 . . . . . . . . 4580 2 94 . 2 2 34 34 GLY CA C 13 49.0 . . 1 . . . . . . . . 4580 2 95 . 2 2 34 34 GLY N N 15 114.3 . . 1 . . . . . . . . 4580 2 96 . 2 2 35 35 ASN H H 1 7.63 . . 1 . . . . . . . . 4580 2 97 . 2 2 35 35 ASN CA C 13 53.3 . . 1 . . . . . . . . 4580 2 98 . 2 2 35 35 ASN N N 15 122.5 . . 1 . . . . . . . . 4580 2 99 . 2 2 36 36 THR H H 1 8.40 . . 1 . . . . . . . . 4580 2 100 . 2 2 36 36 THR CA C 13 61.7 . . 1 . . . . . . . . 4580 2 101 . 2 2 36 36 THR N N 15 117.1 . . 1 . . . . . . . . 4580 2 102 . 2 2 37 37 TYR H H 1 6.18 . . 1 . . . . . . . . 4580 2 103 . 2 2 37 37 TYR CA C 13 57.3 . . 1 . . . . . . . . 4580 2 104 . 2 2 37 37 TYR N N 15 126.2 . . 1 . . . . . . . . 4580 2 105 . 2 2 38 38 LEU H H 1 5.94 . . 1 . . . . . . . . 4580 2 106 . 2 2 38 38 LEU CA C 13 50.8 . . 1 . . . . . . . . 4580 2 107 . 2 2 38 38 LEU N N 15 126.0 . . 1 . . . . . . . . 4580 2 108 . 2 2 39 39 HIS H H 1 8.58 . . 1 . . . . . . . . 4580 2 109 . 2 2 39 39 HIS CA C 13 52.3 . . 1 . . . . . . . . 4580 2 110 . 2 2 39 39 HIS N N 15 125.6 . . 1 . . . . . . . . 4580 2 111 . 2 2 40 40 TRP H H 1 9.13 . . 1 . . . . . . . . 4580 2 112 . 2 2 40 40 TRP N N 15 118.0 . . 1 . . . . . . . . 4580 2 113 . 2 2 41 41 TYR H H 1 9.66 . . 1 . . . . . . . . 4580 2 114 . 2 2 41 41 TYR CA C 13 56.7 . . 1 . . . . . . . . 4580 2 115 . 2 2 41 41 TYR N N 15 120.3 . . 1 . . . . . . . . 4580 2 116 . 2 2 42 42 LEU H H 1 8.94 . . 1 . . . . . . . . 4580 2 117 . 2 2 42 42 LEU CA C 13 53.3 . . 1 . . . . . . . . 4580 2 118 . 2 2 42 42 LEU N N 15 123.4 . . 1 . . . . . . . . 4580 2 119 . 2 2 43 43 GLN H H 1 9.86 . . 1 . . . . . . . . 4580 2 120 . 2 2 43 43 GLN CA C 13 54.7 . . 1 . . . . . . . . 4580 2 121 . 2 2 43 43 GLN N N 15 130.4 . . 1 . . . . . . . . 4580 2 122 . 2 2 44 44 LYS H H 1 8.70 . . 1 . . . . . . . . 4580 2 123 . 2 2 44 44 LYS CA C 13 54.7 . . 1 . . . . . . . . 4580 2 124 . 2 2 44 44 LYS N N 15 132.5 . . 1 . . . . . . . . 4580 2 125 . 2 2 45 45 PRO CA C 13 64.4 . . 1 . . . . . . . . 4580 2 126 . 2 2 46 46 GLY H H 1 8.68 . . 1 . . . . . . . . 4580 2 127 . 2 2 46 46 GLY CA C 13 45.9 . . 1 . . . . . . . . 4580 2 128 . 2 2 46 46 GLY N N 15 113.8 . . 1 . . . . . . . . 4580 2 129 . 2 2 47 47 GLN H H 1 8.00 . . 1 . . . . . . . . 4580 2 130 . 2 2 47 47 GLN CA C 13 53.8 . . 1 . . . . . . . . 4580 2 131 . 2 2 47 47 GLN N N 15 119.0 . . 1 . . . . . . . . 4580 2 132 . 2 2 48 48 SER H H 1 8.36 . . 1 . . . . . . . . 4580 2 133 . 2 2 48 48 SER CA C 13 56.4 . . 1 . . . . . . . . 4580 2 134 . 2 2 48 48 SER N N 15 116.1 . . 1 . . . . . . . . 4580 2 135 . 2 2 49 49 PRO CA C 13 63.3 . . 1 . . . . . . . . 4580 2 136 . 2 2 50 50 LYS H H 1 8.26 . . 1 . . . . . . . . 4580 2 137 . 2 2 50 50 LYS CA C 13 53.8 . . 1 . . . . . . . . 4580 2 138 . 2 2 50 50 LYS N N 15 120.3 . . 1 . . . . . . . . 4580 2 139 . 2 2 51 51 LEU H H 1 8.76 . . 1 . . . . . . . . 4580 2 140 . 2 2 51 51 LEU CA C 13 56.1 . . 1 . . . . . . . . 4580 2 141 . 2 2 51 51 LEU N N 15 127.4 . . 1 . . . . . . . . 4580 2 142 . 2 2 52 52 LEU H H 1 8.67 . . 1 . . . . . . . . 4580 2 143 . 2 2 52 52 LEU CA C 13 54.6 . . 1 . . . . . . . . 4580 2 144 . 2 2 52 52 LEU N N 15 126.1 . . 1 . . . . . . . . 4580 2 145 . 2 2 53 53 ILE H H 1 7.22 . . 1 . . . . . . . . 4580 2 146 . 2 2 53 53 ILE CA C 13 57.3 . . 1 . . . . . . . . 4580 2 147 . 2 2 53 53 ILE N N 15 118.6 . . 1 . . . . . . . . 4580 2 148 . 2 2 54 54 TYR H H 1 9.11 . . 1 . . . . . . . . 4580 2 149 . 2 2 54 54 TYR CA C 13 53.5 . . 1 . . . . . . . . 4580 2 150 . 2 2 54 54 TYR N N 15 123.1 . . 1 . . . . . . . . 4580 2 151 . 2 2 55 55 LYS H H 1 9.49 . . 1 . . . . . . . . 4580 2 152 . 2 2 55 55 LYS CA C 13 57.7 . . 1 . . . . . . . . 4580 2 153 . 2 2 55 55 LYS N N 15 121.1 . . 1 . . . . . . . . 4580 2 154 . 2 2 56 56 VAL H H 1 9.53 . . 1 . . . . . . . . 4580 2 155 . 2 2 56 56 VAL CA C 13 69.7 . . 1 . . . . . . . . 4580 2 156 . 2 2 56 56 VAL N N 15 114.6 . . 1 . . . . . . . . 4580 2 157 . 2 2 57 57 SER H H 1 8.56 . . 1 . . . . . . . . 4580 2 158 . 2 2 57 57 SER CA C 13 57.7 . . 1 . . . . . . . . 4580 2 159 . 2 2 57 57 SER N N 15 110.5 . . 1 . . . . . . . . 4580 2 160 . 2 2 58 58 ASN H H 1 8.39 . . 1 . . . . . . . . 4580 2 161 . 2 2 58 58 ASN CA C 13 53.3 . . 1 . . . . . . . . 4580 2 162 . 2 2 58 58 ASN N N 15 120.0 . . 1 . . . . . . . . 4580 2 163 . 2 2 59 59 ARG H H 1 9.11 . . 1 . . . . . . . . 4580 2 164 . 2 2 59 59 ARG CA C 13 53.7 . . 1 . . . . . . . . 4580 2 165 . 2 2 59 59 ARG N N 15 129.8 . . 1 . . . . . . . . 4580 2 166 . 2 2 60 60 PHE H H 1 8.26 . . 1 . . . . . . . . 4580 2 167 . 2 2 60 60 PHE CA C 13 57.3 . . 1 . . . . . . . . 4580 2 168 . 2 2 60 60 PHE N N 15 125.6 . . 1 . . . . . . . . 4580 2 169 . 2 2 61 61 SER H H 1 6.01 . . 1 . . . . . . . . 4580 2 170 . 2 2 61 61 SER CA C 13 59.7 . . 1 . . . . . . . . 4580 2 171 . 2 2 61 61 SER N N 15 119.4 . . 1 . . . . . . . . 4580 2 172 . 2 2 62 62 GLY H H 1 8.68 . . 1 . . . . . . . . 4580 2 173 . 2 2 62 62 GLY CA C 13 45.5 . . 1 . . . . . . . . 4580 2 174 . 2 2 62 62 GLY N N 15 114.9 . . 1 . . . . . . . . 4580 2 175 . 2 2 63 63 VAL H H 1 7.73 . . 1 . . . . . . . . 4580 2 176 . 2 2 63 63 VAL CA C 13 60.7 . . 1 . . . . . . . . 4580 2 177 . 2 2 63 63 VAL N N 15 125.4 . . 1 . . . . . . . . 4580 2 178 . 2 2 64 64 PRO CA C 13 63.3 . . 1 . . . . . . . . 4580 2 179 . 2 2 65 65 ASP H H 1 8.44 . . 1 . . . . . . . . 4580 2 180 . 2 2 65 65 ASP CA C 13 55.7 . . 1 . . . . . . . . 4580 2 181 . 2 2 65 65 ASP N N 15 118.8 . . 1 . . . . . . . . 4580 2 182 . 2 2 66 66 ARG H H 1 6.81 . . 1 . . . . . . . . 4580 2 183 . 2 2 66 66 ARG CA C 13 56.8 . . 1 . . . . . . . . 4580 2 184 . 2 2 66 66 ARG N N 15 114.6 . . 1 . . . . . . . . 4580 2 185 . 2 2 67 67 PHE H H 1 7.57 . . 1 . . . . . . . . 4580 2 186 . 2 2 67 67 PHE CA C 13 58.3 . . 1 . . . . . . . . 4580 2 187 . 2 2 67 67 PHE N N 15 120.2 . . 1 . . . . . . . . 4580 2 188 . 2 2 68 68 SER H H 1 8.96 . . 1 . . . . . . . . 4580 2 189 . 2 2 68 68 SER CA C 13 57.3 . . 1 . . . . . . . . 4580 2 190 . 2 2 68 68 SER N N 15 116.1 . . 1 . . . . . . . . 4580 2 191 . 2 2 69 69 GLY H H 1 8.84 . . 1 . . . . . . . . 4580 2 192 . 2 2 69 69 GLY CA C 13 44.3 . . 1 . . . . . . . . 4580 2 193 . 2 2 69 69 GLY N N 15 111.2 . . 1 . . . . . . . . 4580 2 194 . 2 2 70 70 SER H H 1 8.86 . . 1 . . . . . . . . 4580 2 195 . 2 2 70 70 SER CA C 13 57.4 . . 1 . . . . . . . . 4580 2 196 . 2 2 70 70 SER N N 15 115.6 . . 1 . . . . . . . . 4580 2 197 . 2 2 71 71 GLY H H 1 8.49 . . 1 . . . . . . . . 4580 2 198 . 2 2 71 71 GLY CA C 13 45.0 . . 1 . . . . . . . . 4580 2 199 . 2 2 71 71 GLY N N 15 108.3 . . 1 . . . . . . . . 4580 2 200 . 2 2 72 72 SER H H 1 7.45 . . 1 . . . . . . . . 4580 2 201 . 2 2 72 72 SER CA C 13 57.7 . . 1 . . . . . . . . 4580 2 202 . 2 2 72 72 SER N N 15 110.4 . . 1 . . . . . . . . 4580 2 203 . 2 2 73 73 GLY H H 1 8.76 . . 1 . . . . . . . . 4580 2 204 . 2 2 73 73 GLY CA C 13 49.3 . . 1 . . . . . . . . 4580 2 205 . 2 2 73 73 GLY N N 15 110.6 . . 1 . . . . . . . . 4580 2 206 . 2 2 74 74 THR H H 1 7.94 . . 1 . . . . . . . . 4580 2 207 . 2 2 74 74 THR CA C 13 61.0 . . 1 . . . . . . . . 4580 2 208 . 2 2 74 74 THR N N 15 117.3 . . 1 . . . . . . . . 4580 2 209 . 2 2 75 75 ASP H H 1 6.94 . . 1 . . . . . . . . 4580 2 210 . 2 2 75 75 ASP CA C 13 54.4 . . 1 . . . . . . . . 4580 2 211 . 2 2 75 75 ASP N N 15 123.2 . . 1 . . . . . . . . 4580 2 212 . 2 2 76 76 PHE H H 1 8.81 . . 1 . . . . . . . . 4580 2 213 . 2 2 76 76 PHE CA C 13 57.3 . . 1 . . . . . . . . 4580 2 214 . 2 2 76 76 PHE N N 15 122.1 . . 1 . . . . . . . . 4580 2 215 . 2 2 77 77 THR H H 1 8.70 . . 1 . . . . . . . . 4580 2 216 . 2 2 77 77 THR CA C 13 61.9 . . 1 . . . . . . . . 4580 2 217 . 2 2 77 77 THR N N 15 118.0 . . 1 . . . . . . . . 4580 2 218 . 2 2 78 78 LEU H H 1 8.65 . . 1 . . . . . . . . 4580 2 219 . 2 2 78 78 LEU CA C 13 53.4 . . 1 . . . . . . . . 4580 2 220 . 2 2 78 78 LEU N N 15 130.2 . . 1 . . . . . . . . 4580 2 221 . 2 2 79 79 LYS H H 1 8.87 . . 1 . . . . . . . . 4580 2 222 . 2 2 79 79 LYS CA C 13 54.6 . . 1 . . . . . . . . 4580 2 223 . 2 2 79 79 LYS N N 15 127.0 . . 1 . . . . . . . . 4580 2 224 . 2 2 80 80 ILE H H 1 8.54 . . 1 . . . . . . . . 4580 2 225 . 2 2 80 80 ILE CA C 13 59.8 . . 1 . . . . . . . . 4580 2 226 . 2 2 80 80 ILE N N 15 124.5 . . 1 . . . . . . . . 4580 2 227 . 2 2 81 81 SER H H 1 8.91 . . 1 . . . . . . . . 4580 2 228 . 2 2 81 81 SER CA C 13 60.9 . . 1 . . . . . . . . 4580 2 229 . 2 2 81 81 SER N N 15 122.3 . . 1 . . . . . . . . 4580 2 230 . 2 2 82 82 ARG H H 1 6.44 . . 1 . . . . . . . . 4580 2 231 . 2 2 82 82 ARG CA C 13 55.5 . . 1 . . . . . . . . 4580 2 232 . 2 2 82 82 ARG N N 15 119.5 . . 1 . . . . . . . . 4580 2 233 . 2 2 83 83 VAL H H 1 8.29 . . 1 . . . . . . . . 4580 2 234 . 2 2 83 83 VAL CA C 13 64.3 . . 1 . . . . . . . . 4580 2 235 . 2 2 83 83 VAL N N 15 124.0 . . 1 . . . . . . . . 4580 2 236 . 2 2 84 84 GLU H H 1 9.17 . . 1 . . . . . . . . 4580 2 237 . 2 2 84 84 GLU CA C 13 54.3 . . 1 . . . . . . . . 4580 2 238 . 2 2 84 84 GLU N N 15 130.1 . . 1 . . . . . . . . 4580 2 239 . 2 2 85 85 ALA H H 1 9.02 . . 1 . . . . . . . . 4580 2 240 . 2 2 85 85 ALA CA C 13 55.7 . . 1 . . . . . . . . 4580 2 241 . 2 2 85 85 ALA N N 15 124.7 . . 1 . . . . . . . . 4580 2 242 . 2 2 86 86 GLU H H 1 8.37 . . 1 . . . . . . . . 4580 2 243 . 2 2 86 86 GLU CA C 13 57.7 . . 1 . . . . . . . . 4580 2 244 . 2 2 86 86 GLU N N 15 114.3 . . 1 . . . . . . . . 4580 2 245 . 2 2 87 87 ASP H H 1 7.99 . . 1 . . . . . . . . 4580 2 246 . 2 2 87 87 ASP CA C 13 54.5 . . 1 . . . . . . . . 4580 2 247 . 2 2 87 87 ASP N N 15 121.1 . . 1 . . . . . . . . 4580 2 248 . 2 2 88 88 LEU H H 1 7.00 . . 1 . . . . . . . . 4580 2 249 . 2 2 88 88 LEU CA C 13 56.4 . . 1 . . . . . . . . 4580 2 250 . 2 2 88 88 LEU N N 15 119.0 . . 1 . . . . . . . . 4580 2 251 . 2 2 89 89 GLY H H 1 7.48 . . 1 . . . . . . . . 4580 2 252 . 2 2 89 89 GLY CA C 13 44.7 . . 1 . . . . . . . . 4580 2 253 . 2 2 89 89 GLY N N 15 109.0 . . 1 . . . . . . . . 4580 2 254 . 2 2 90 90 VAL H H 1 8.05 . . 1 . . . . . . . . 4580 2 255 . 2 2 90 90 VAL CA C 13 61.3 . . 1 . . . . . . . . 4580 2 256 . 2 2 90 90 VAL N N 15 120.9 . . 1 . . . . . . . . 4580 2 257 . 2 2 91 91 TYR H H 1 8.93 . . 1 . . . . . . . . 4580 2 258 . 2 2 91 91 TYR CA C 13 57.0 . . 1 . . . . . . . . 4580 2 259 . 2 2 91 91 TYR N N 15 126.6 . . 1 . . . . . . . . 4580 2 260 . 2 2 92 92 PHE H H 1 9.82 . . 1 . . . . . . . . 4580 2 261 . 2 2 92 92 PHE CA C 13 57.0 . . 1 . . . . . . . . 4580 2 262 . 2 2 92 92 PHE N N 15 122.1 . . 1 . . . . . . . . 4580 2 263 . 2 2 93 93 CYS H H 1 8.02 . . 1 . . . . . . . . 4580 2 264 . 2 2 93 93 CYS N N 15 118.0 . . 1 . . . . . . . . 4580 2 265 . 2 2 94 94 SER H H 1 8.60 . . 1 . . . . . . . . 4580 2 266 . 2 2 94 94 SER CA C 13 56.3 . . 1 . . . . . . . . 4580 2 267 . 2 2 94 94 SER N N 15 116.2 . . 1 . . . . . . . . 4580 2 268 . 2 2 95 95 GLN H H 1 8.24 . . 1 . . . . . . . . 4580 2 269 . 2 2 95 95 GLN CA C 13 51.4 . . 1 . . . . . . . . 4580 2 270 . 2 2 95 95 GLN N N 15 122.4 . . 1 . . . . . . . . 4580 2 271 . 2 2 96 96 SER H H 1 8.88 . . 1 . . . . . . . . 4580 2 272 . 2 2 96 96 SER CA C 13 55.7 . . 1 . . . . . . . . 4580 2 273 . 2 2 96 96 SER N N 15 117.3 . . 1 . . . . . . . . 4580 2 274 . 2 2 97 97 THR H H 1 7.80 . . 1 . . . . . . . . 4580 2 275 . 2 2 97 97 THR CA C 13 66.5 . . 1 . . . . . . . . 4580 2 276 . 2 2 97 97 THR N N 15 120.8 . . 1 . . . . . . . . 4580 2 277 . 2 2 98 98 HIS H H 1 9.43 . . 1 . . . . . . . . 4580 2 278 . 2 2 98 98 HIS CA C 13 53.8 . . 1 . . . . . . . . 4580 2 279 . 2 2 98 98 HIS N N 15 122.9 . . 1 . . . . . . . . 4580 2 280 . 2 2 99 99 VAL H H 1 8.23 . . 1 . . . . . . . . 4580 2 281 . 2 2 99 99 VAL CA C 13 59.5 . . 1 . . . . . . . . 4580 2 282 . 2 2 99 99 VAL N N 15 120.3 . . 1 . . . . . . . . 4580 2 283 . 2 2 101 101 PHE H H 1 7.74 . . 1 . . . . . . . . 4580 2 284 . 2 2 101 101 PHE CA C 13 55.3 . . 1 . . . . . . . . 4580 2 285 . 2 2 101 101 PHE N N 15 123.5 . . 1 . . . . . . . . 4580 2 286 . 2 2 102 102 THR H H 1 7.27 . . 1 . . . . . . . . 4580 2 287 . 2 2 102 102 THR CA C 13 59.6 . . 1 . . . . . . . . 4580 2 288 . 2 2 102 102 THR N N 15 108.5 . . 1 . . . . . . . . 4580 2 289 . 2 2 103 103 PHE H H 1 9.17 . . 1 . . . . . . . . 4580 2 290 . 2 2 103 103 PHE CA C 13 57.3 . . 1 . . . . . . . . 4580 2 291 . 2 2 103 103 PHE N N 15 120.4 . . 1 . . . . . . . . 4580 2 292 . 2 2 104 104 GLY H H 1 9.12 . . 1 . . . . . . . . 4580 2 293 . 2 2 104 104 GLY CA C 13 45.0 . . 1 . . . . . . . . 4580 2 294 . 2 2 104 104 GLY N N 15 109.3 . . 1 . . . . . . . . 4580 2 295 . 2 2 105 105 SER H H 1 8.25 . . 1 . . . . . . . . 4580 2 296 . 2 2 105 105 SER CA C 13 60.6 . . 1 . . . . . . . . 4580 2 297 . 2 2 105 105 SER N N 15 111.2 . . 1 . . . . . . . . 4580 2 298 . 2 2 106 106 GLY H H 1 6.89 . . 1 . . . . . . . . 4580 2 299 . 2 2 106 106 GLY CA C 13 45.1 . . 1 . . . . . . . . 4580 2 300 . 2 2 106 106 GLY N N 15 107.8 . . 1 . . . . . . . . 4580 2 301 . 2 2 107 107 THR H H 1 8.18 . . 1 . . . . . . . . 4580 2 302 . 2 2 107 107 THR CA C 13 61.7 . . 1 . . . . . . . . 4580 2 303 . 2 2 107 107 THR N N 15 120.5 . . 1 . . . . . . . . 4580 2 304 . 2 2 108 108 LYS H H 1 8.36 . . 1 . . . . . . . . 4580 2 305 . 2 2 108 108 LYS CA C 13 56.1 . . 1 . . . . . . . . 4580 2 306 . 2 2 108 108 LYS N N 15 129.6 . . 1 . . . . . . . . 4580 2 307 . 2 2 109 109 LEU H H 1 9.01 . . 1 . . . . . . . . 4580 2 308 . 2 2 109 109 LEU CA C 13 55.3 . . 1 . . . . . . . . 4580 2 309 . 2 2 109 109 LEU N N 15 132.8 . . 1 . . . . . . . . 4580 2 310 . 2 2 110 110 GLU H H 1 8.00 . . 1 . . . . . . . . 4580 2 311 . 2 2 110 110 GLU CA C 13 54.0 . . 1 . . . . . . . . 4580 2 312 . 2 2 110 110 GLU N N 15 126.0 . . 1 . . . . . . . . 4580 2 313 . 2 2 111 111 ILE H H 1 8.16 . . 1 . . . . . . . . 4580 2 314 . 2 2 111 111 ILE CA C 13 60.0 . . 1 . . . . . . . . 4580 2 315 . 2 2 111 111 ILE N N 15 122.1 . . 1 . . . . . . . . 4580 2 316 . 2 2 112 112 LYS H H 1 8.20 . . 1 . . . . . . . . 4580 2 317 . 2 2 112 112 LYS CA C 13 56.3 . . 1 . . . . . . . . 4580 2 318 . 2 2 112 112 LYS N N 15 129.4 . . 1 . . . . . . . . 4580 2 319 . 2 2 113 113 ARG H H 1 8.07 . . 1 . . . . . . . . 4580 2 320 . 2 2 113 113 ARG CA C 13 57.7 . . 1 . . . . . . . . 4580 2 321 . 2 2 113 113 ARG N N 15 131.6 . . 1 . . . . . . . . 4580 2 stop_ save_