data_18577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18577 _Entry.Title ; Chemical Shift Assignments of the Connexin45 Carboxyl Terminal Domain: Dimer Conformation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-06 _Entry.Accession_date 2012-07-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Carboxyl Terminal Domain of the Connexin45 isoform' _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 Jennifer Kopanic . L. . 18577 2 Paul Sorgen . L. . 18577 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Nebraska Medical Center' . 18577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 18577 '15N chemical shifts' 92 18577 '1H chemical shifts' 631 18577 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-07-06 update BMRB 'update entry citation' 18577 1 . . 2012-10-18 2012-07-06 original author 'original release' 18577 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18578 'Connexin45 Carboxyl Terminal Domain, monomer' 18577 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 18577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23070843 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments of the connexin45 carboxyl terminal domain: monomer and dimer conformations.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 293 _Citation.Page_last 297 _Citation.Year 2013 _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 Jennifer Kopanic . L. . 18577 1 2 Paul Sorgen . L. . 18577 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18577 _Assembly.ID 1 _Assembly.Name 'Connexin45 Carboxyl Terminal Domain' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Connexin45 Carboxyl Terminal Domain, chain 1' 1 $Connexin45_Carboxyl_Terminal_Domain A . yes 'intrinsically disordered' no no . . . 18577 1 2 'Connexin45 Carboxyl Terminal Domain, chain 2' 1 $Connexin45_Carboxyl_Terminal_Domain B . no 'intrinsically disordered' no no . . . 18577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Connexin45_Carboxyl_Terminal_Domain _Entity.Sf_category entity _Entity.Sf_framecode Connexin45_Carboxyl_Terminal_Domain _Entity.Entry_ID 18577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Connexin45_Carboxyl_Terminal_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 ; GSKRRELDDPGAYNYPFTWN TPSAPPGYNIAVKPDQIQYT ELSNAKIAYKQNKANIAQEQ QYGSHEEHLPADLETLQREI RMAQERLDLAIQAYHHQNNP HGPREKKAKVGSKSGSNKSS ISSKSGDGKTSVWI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Connexin45 Carboxyl Terminal Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15005.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Dimer conformation of the Connexin45 Carboxyl Terminal Domain' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 18578 . Connexin45_Carboxyl_Terminal_Domain . . . . . 100.00 134 100.00 100.00 5.31e-93 . . . . 18577 1 2 no DBJ BAC34953 . "unnamed protein product [Mus musculus]" . . . . . 99.25 276 100.00 100.00 1.00e-90 . . . . 18577 1 3 no EMBL CAA44814 . "connexin 45 [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 4 no EMBL CAC21557 . "connexin 45 [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 5 no GB AAH50840 . "Gjc1 protein [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 6 no GB AAH71230 . "Gjc1 protein [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 7 no GB AAI66405 . "Gja7 protein [Rattus norvegicus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 8 no GB AAN17802 . "gap junction channel protein connexin 45 [Rattus norvegicus]" . . . . . 89.55 383 100.00 100.00 2.86e-79 . . . . 18577 1 9 no GB AAR98617 . "connexin45 [Cricetulus griseus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 10 no REF NP_001078850 . "gap junction gamma-1 protein [Rattus norvegicus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 11 no REF NP_001152854 . "gap junction gamma-1 protein [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 12 no REF NP_001152855 . "gap junction gamma-1 protein [Mus musculus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 13 no REF NP_001233715 . "gap junction gamma-1 protein [Cricetulus griseus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 14 no REF NP_001268477 . "gap junction gamma-1 protein [Mesocricetus auratus]" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 15 no SP A4GG66 . "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 16 no SP P28229 . "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 17 no SP Q6PYT3 . "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 1 18 no SP Q6R4A8 . "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" . . . . . 99.25 396 100.00 100.00 1.84e-89 . . . . 18577 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 . 18577 1 2 . SER . 18577 1 3 . LYS . 18577 1 4 . ARG . 18577 1 5 . ARG . 18577 1 6 . GLU . 18577 1 7 . LEU . 18577 1 8 . ASP . 18577 1 9 . ASP . 18577 1 10 . PRO . 18577 1 11 . GLY . 18577 1 12 . ALA . 18577 1 13 . TYR . 18577 1 14 . ASN . 18577 1 15 . TYR . 18577 1 16 . PRO . 18577 1 17 . PHE . 18577 1 18 . THR . 18577 1 19 . TRP . 18577 1 20 . ASN . 18577 1 21 . THR . 18577 1 22 . PRO . 18577 1 23 . SER . 18577 1 24 . ALA . 18577 1 25 . PRO . 18577 1 26 . PRO . 18577 1 27 . GLY . 18577 1 28 . TYR . 18577 1 29 . ASN . 18577 1 30 . ILE . 18577 1 31 . ALA . 18577 1 32 . VAL . 18577 1 33 . LYS . 18577 1 34 . PRO . 18577 1 35 . ASP . 18577 1 36 . GLN . 18577 1 37 . ILE . 18577 1 38 . GLN . 18577 1 39 . TYR . 18577 1 40 . THR . 18577 1 41 . GLU . 18577 1 42 . LEU . 18577 1 43 . SER . 18577 1 44 . ASN . 18577 1 45 . ALA . 18577 1 46 . LYS . 18577 1 47 . ILE . 18577 1 48 . ALA . 18577 1 49 . TYR . 18577 1 50 . LYS . 18577 1 51 . GLN . 18577 1 52 . ASN . 18577 1 53 . LYS . 18577 1 54 . ALA . 18577 1 55 . ASN . 18577 1 56 . ILE . 18577 1 57 . ALA . 18577 1 58 . GLN . 18577 1 59 . GLU . 18577 1 60 . GLN . 18577 1 61 . GLN . 18577 1 62 . TYR . 18577 1 63 . GLY . 18577 1 64 . SER . 18577 1 65 . HIS . 18577 1 66 . GLU . 18577 1 67 . GLU . 18577 1 68 . HIS . 18577 1 69 . LEU . 18577 1 70 . PRO . 18577 1 71 . ALA . 18577 1 72 . ASP . 18577 1 73 . LEU . 18577 1 74 . GLU . 18577 1 75 . THR . 18577 1 76 . LEU . 18577 1 77 . GLN . 18577 1 78 . ARG . 18577 1 79 . GLU . 18577 1 80 . ILE . 18577 1 81 . ARG . 18577 1 82 . MET . 18577 1 83 . ALA . 18577 1 84 . GLN . 18577 1 85 . GLU . 18577 1 86 . ARG . 18577 1 87 . LEU . 18577 1 88 . ASP . 18577 1 89 . LEU . 18577 1 90 . ALA . 18577 1 91 . ILE . 18577 1 92 . GLN . 18577 1 93 . ALA . 18577 1 94 . TYR . 18577 1 95 . HIS . 18577 1 96 . HIS . 18577 1 97 . GLN . 18577 1 98 . ASN . 18577 1 99 . ASN . 18577 1 100 . PRO . 18577 1 101 . HIS . 18577 1 102 . GLY . 18577 1 103 . PRO . 18577 1 104 . ARG . 18577 1 105 . GLU . 18577 1 106 . LYS . 18577 1 107 . LYS . 18577 1 108 . ALA . 18577 1 109 . LYS . 18577 1 110 . VAL . 18577 1 111 . GLY . 18577 1 112 . SER . 18577 1 113 . LYS . 18577 1 114 . SER . 18577 1 115 . GLY . 18577 1 116 . SER . 18577 1 117 . ASN . 18577 1 118 . LYS . 18577 1 119 . SER . 18577 1 120 . SER . 18577 1 121 . ILE . 18577 1 122 . SER . 18577 1 123 . SER . 18577 1 124 . LYS . 18577 1 125 . SER . 18577 1 126 . GLY . 18577 1 127 . ASP . 18577 1 128 . GLY . 18577 1 129 . LYS . 18577 1 130 . THR . 18577 1 131 . SER . 18577 1 132 . VAL . 18577 1 133 . TRP . 18577 1 134 . ILE . 18577 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 18577 1 . SER 2 2 18577 1 . LYS 3 3 18577 1 . ARG 4 4 18577 1 . ARG 5 5 18577 1 . GLU 6 6 18577 1 . LEU 7 7 18577 1 . ASP 8 8 18577 1 . ASP 9 9 18577 1 . PRO 10 10 18577 1 . GLY 11 11 18577 1 . ALA 12 12 18577 1 . TYR 13 13 18577 1 . ASN 14 14 18577 1 . TYR 15 15 18577 1 . PRO 16 16 18577 1 . PHE 17 17 18577 1 . THR 18 18 18577 1 . TRP 19 19 18577 1 . ASN 20 20 18577 1 . THR 21 21 18577 1 . PRO 22 22 18577 1 . SER 23 23 18577 1 . ALA 24 24 18577 1 . PRO 25 25 18577 1 . PRO 26 26 18577 1 . GLY 27 27 18577 1 . TYR 28 28 18577 1 . ASN 29 29 18577 1 . ILE 30 30 18577 1 . ALA 31 31 18577 1 . VAL 32 32 18577 1 . LYS 33 33 18577 1 . PRO 34 34 18577 1 . ASP 35 35 18577 1 . GLN 36 36 18577 1 . ILE 37 37 18577 1 . GLN 38 38 18577 1 . TYR 39 39 18577 1 . THR 40 40 18577 1 . GLU 41 41 18577 1 . LEU 42 42 18577 1 . SER 43 43 18577 1 . ASN 44 44 18577 1 . ALA 45 45 18577 1 . LYS 46 46 18577 1 . ILE 47 47 18577 1 . ALA 48 48 18577 1 . TYR 49 49 18577 1 . LYS 50 50 18577 1 . GLN 51 51 18577 1 . ASN 52 52 18577 1 . LYS 53 53 18577 1 . ALA 54 54 18577 1 . ASN 55 55 18577 1 . ILE 56 56 18577 1 . ALA 57 57 18577 1 . GLN 58 58 18577 1 . GLU 59 59 18577 1 . GLN 60 60 18577 1 . GLN 61 61 18577 1 . TYR 62 62 18577 1 . GLY 63 63 18577 1 . SER 64 64 18577 1 . HIS 65 65 18577 1 . GLU 66 66 18577 1 . GLU 67 67 18577 1 . HIS 68 68 18577 1 . LEU 69 69 18577 1 . PRO 70 70 18577 1 . ALA 71 71 18577 1 . ASP 72 72 18577 1 . LEU 73 73 18577 1 . GLU 74 74 18577 1 . THR 75 75 18577 1 . LEU 76 76 18577 1 . GLN 77 77 18577 1 . ARG 78 78 18577 1 . GLU 79 79 18577 1 . ILE 80 80 18577 1 . ARG 81 81 18577 1 . MET 82 82 18577 1 . ALA 83 83 18577 1 . GLN 84 84 18577 1 . GLU 85 85 18577 1 . ARG 86 86 18577 1 . LEU 87 87 18577 1 . ASP 88 88 18577 1 . LEU 89 89 18577 1 . ALA 90 90 18577 1 . ILE 91 91 18577 1 . GLN 92 92 18577 1 . ALA 93 93 18577 1 . TYR 94 94 18577 1 . HIS 95 95 18577 1 . HIS 96 96 18577 1 . GLN 97 97 18577 1 . ASN 98 98 18577 1 . ASN 99 99 18577 1 . PRO 100 100 18577 1 . HIS 101 101 18577 1 . GLY 102 102 18577 1 . PRO 103 103 18577 1 . ARG 104 104 18577 1 . GLU 105 105 18577 1 . LYS 106 106 18577 1 . LYS 107 107 18577 1 . ALA 108 108 18577 1 . LYS 109 109 18577 1 . VAL 110 110 18577 1 . GLY 111 111 18577 1 . SER 112 112 18577 1 . LYS 113 113 18577 1 . SER 114 114 18577 1 . GLY 115 115 18577 1 . SER 116 116 18577 1 . ASN 117 117 18577 1 . LYS 118 118 18577 1 . SER 119 119 18577 1 . SER 120 120 18577 1 . ILE 121 121 18577 1 . SER 122 122 18577 1 . SER 123 123 18577 1 . LYS 124 124 18577 1 . SER 125 125 18577 1 . GLY 126 126 18577 1 . ASP 127 127 18577 1 . GLY 128 128 18577 1 . LYS 129 129 18577 1 . THR 130 130 18577 1 . SER 131 131 18577 1 . VAL 132 132 18577 1 . TRP 133 133 18577 1 . ILE 134 134 18577 1 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 18577 _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 $Connexin45_Carboxyl_Terminal_Domain . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 18577 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 18577 _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 $Connexin45_Carboxyl_Terminal_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 pLySs' . . . . . . . . . . . . . . . pGEX-KT . . . . . . 18577 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_dimer_sample _Sample.Sf_category sample _Sample.Sf_framecode dimer_sample _Sample.Entry_ID 18577 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'Connexin45 Carboxyl Terminal Domain' '[U-98% 13C; U-98% 15N]' . . 1 $Connexin45_Carboxyl_Terminal_Domain . . 0.9-1.2 . . mM . . . . 18577 1 2 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 18577 1 3 phosphate 'natural abundance' . . . . . . 11.9 . . mM . . . . 18577 1 4 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 18577 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 18577 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 18577 1 stop_ save_ ####################### # Sample conditions # ####################### save_dimer_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode dimer_sample_conditions _Sample_condition_list.Entry_ID 18577 _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 'ionic strength' 151.6 . mM 18577 1 pH 5.8 . pH 18577 1 pressure 1 . atm 18577 1 temperature 298 . K 18577 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18577 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18577 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18577 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18577 _Software.ID 2 _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' . . 18577 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18577 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18577 _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 spectrometer_1 Varian INOVA . 600 . . . 18577 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 18577 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 3 '3D HNCACB' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 5 '3D HNCO' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $dimer_sample isotropic . . 1 $dimer_sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18577 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18577 _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 C 13 water protons . . . . ppm 46.00 internal direct 0.251449530 . . . . . . . . . 18577 1 H 1 water protons . . . . ppm 4.778 internal direct 1.000000000 . . . . . . . . . 18577 1 N 15 water protons . . . . ppm 120.00 internal direct 0.101329118 . . . . . . . . . 18577 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_assignments_Cx4CTsequence _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_Cx4CTsequence _Assigned_chem_shift_list.Entry_ID 18577 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $dimer_sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18577 1 2 '2D 1H-13C HSQC' . . . 18577 1 3 '3D HNCACB' . . . 18577 1 4 '3D CBCA(CO)NH' . . . 18577 1 5 '3D HNCO' . . . 18577 1 6 '3D HN(CO)CA' . . . 18577 1 7 '3D HCCH-TOCSY' . . . 18577 1 8 '3D 1H-15N TOCSY' . . . 18577 1 9 '3D 1H-15N NOESY' . . . 18577 1 10 '3D 1H-13C NOESY' . . . 18577 1 11 '3D C(CO)NH' . . . 18577 1 12 '3D H(CCO)NH' . . . 18577 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 GLY HA2 H 1 3.820 0.05 . 2 . . . . 1 GLY HA1 . 18577 1 2 . 1 1 1 1 GLY HA3 H 1 3.820 0.05 . 2 . . . . 1 GLY HA2 . 18577 1 3 . 1 1 1 1 GLY CA C 13 43.786 0.3 . 1 . . . . 1 GLY CA . 18577 1 4 . 1 1 2 2 SER HA H 1 4.150 0.05 . 1 . . . . 2 SER HA . 18577 1 5 . 1 1 2 2 SER HB2 H 1 3.980 0.05 . 2 . . . . 2 SER HB1 . 18577 1 6 . 1 1 2 2 SER HB3 H 1 3.980 0.05 . 2 . . . . 2 SER HB2 . 18577 1 7 . 1 1 2 2 SER C C 13 174.410 0.3 . 1 . . . . 2 SER C . 18577 1 8 . 1 1 2 2 SER CA C 13 55.700 0.3 . 1 . . . . 2 SER CA . 18577 1 9 . 1 1 2 2 SER CB C 13 61.600 0.3 . 1 . . . . 2 SER CB . 18577 1 10 . 1 1 3 3 LYS H H 1 8.483 0.05 . 1 . . . . 3 LYS HN . 18577 1 11 . 1 1 3 3 LYS HA H 1 4.326 0.05 . 1 . . . . 3 LYS HA . 18577 1 12 . 1 1 3 3 LYS HB2 H 1 1.792 0.05 . 2 . . . . 3 LYS HB1 . 18577 1 13 . 1 1 3 3 LYS HB3 H 1 1.792 0.05 . 2 . . . . 3 LYS HB2 . 18577 1 14 . 1 1 3 3 LYS HG2 H 1 1.463 0.05 . 2 . . . . 3 LYS HG1 . 18577 1 15 . 1 1 3 3 LYS HG3 H 1 1.463 0.05 . 2 . . . . 3 LYS HG2 . 18577 1 16 . 1 1 3 3 LYS HD2 H 1 1.703 0.05 . 2 . . . . 3 LYS HD1 . 18577 1 17 . 1 1 3 3 LYS HD3 H 1 1.703 0.05 . 2 . . . . 3 LYS HD2 . 18577 1 18 . 1 1 3 3 LYS HE2 H 1 3.000 0.05 . 2 . . . . 3 LYS HE1 . 18577 1 19 . 1 1 3 3 LYS HE3 H 1 3.000 0.05 . 2 . . . . 3 LYS HE2 . 18577 1 20 . 1 1 3 3 LYS C C 13 176.450 0.3 . 1 . . . . 3 LYS C . 18577 1 21 . 1 1 3 3 LYS CA C 13 54.600 0.3 . 1 . . . . 3 LYS CA . 18577 1 22 . 1 1 3 3 LYS CB C 13 31.416 0.3 . 1 . . . . 3 LYS CB . 18577 1 23 . 1 1 3 3 LYS CG C 13 22.800 0.3 . 1 . . . . 3 LYS CG . 18577 1 24 . 1 1 3 3 LYS CD C 13 27.200 0.3 . 1 . . . . 3 LYS CD . 18577 1 25 . 1 1 3 3 LYS CE C 13 40.500 0.3 . 1 . . . . 3 LYS CE . 18577 1 26 . 1 1 3 3 LYS N N 15 125.272 0.3 . 1 . . . . 3 LYS N . 18577 1 27 . 1 1 4 4 ARG H H 1 8.399 0.05 . 1 . . . . 4 ARG HN . 18577 1 28 . 1 1 4 4 ARG HA H 1 4.292 0.05 . 1 . . . . 4 ARG HA . 18577 1 29 . 1 1 4 4 ARG HB2 H 1 1.826 0.05 . 2 . . . . 4 ARG HB1 . 18577 1 30 . 1 1 4 4 ARG HB3 H 1 1.826 0.05 . 2 . . . . 4 ARG HB2 . 18577 1 31 . 1 1 4 4 ARG HG2 H 1 1.644 0.05 . 2 . . . . 4 ARG HG1 . 18577 1 32 . 1 1 4 4 ARG HG3 H 1 1.644 0.05 . 2 . . . . 4 ARG HG2 . 18577 1 33 . 1 1 4 4 ARG HD2 H 1 3.199 0.05 . 2 . . . . 4 ARG HD1 . 18577 1 34 . 1 1 4 4 ARG HD3 H 1 3.199 0.05 . 2 . . . . 4 ARG HD2 . 18577 1 35 . 1 1 4 4 ARG C C 13 176.190 0.3 . 1 . . . . 4 ARG C . 18577 1 36 . 1 1 4 4 ARG CA C 13 54.594 0.3 . 1 . . . . 4 ARG CA . 18577 1 37 . 1 1 4 4 ARG CB C 13 29.069 0.3 . 1 . . . . 4 ARG CB . 18577 1 38 . 1 1 4 4 ARG CG C 13 25.410 0.3 . 1 . . . . 4 ARG CG . 18577 1 39 . 1 1 4 4 ARG CD C 13 41.681 0.3 . 1 . . . . 4 ARG CD . 18577 1 40 . 1 1 4 4 ARG N N 15 124.951 0.3 . 1 . . . . 4 ARG N . 18577 1 41 . 1 1 5 5 ARG H H 1 8.472 0.05 . 1 . . . . 5 ARG HN . 18577 1 42 . 1 1 5 5 ARG HA H 1 4.303 0.05 . 1 . . . . 5 ARG HA . 18577 1 43 . 1 1 5 5 ARG HB2 H 1 1.817 0.05 . 2 . . . . 5 ARG HB1 . 18577 1 44 . 1 1 5 5 ARG HB3 H 1 1.817 0.05 . 2 . . . . 5 ARG HB2 . 18577 1 45 . 1 1 5 5 ARG HG2 H 1 1.644 0.05 . 2 . . . . 5 ARG HG1 . 18577 1 46 . 1 1 5 5 ARG HG3 H 1 1.644 0.05 . 2 . . . . 5 ARG HG2 . 18577 1 47 . 1 1 5 5 ARG HD2 H 1 3.199 0.05 . 2 . . . . 5 ARG HD1 . 18577 1 48 . 1 1 5 5 ARG HD3 H 1 3.199 0.05 . 2 . . . . 5 ARG HD2 . 18577 1 49 . 1 1 5 5 ARG C C 13 176.350 0.3 . 1 . . . . 5 ARG C . 18577 1 50 . 1 1 5 5 ARG CA C 13 54.585 0.3 . 1 . . . . 5 ARG CA . 18577 1 51 . 1 1 5 5 ARG CB C 13 28.878 0.3 . 1 . . . . 5 ARG CB . 18577 1 52 . 1 1 5 5 ARG CG C 13 25.410 0.3 . 1 . . . . 5 ARG CG . 18577 1 53 . 1 1 5 5 ARG CD C 13 41.681 0.3 . 1 . . . . 5 ARG CD . 18577 1 54 . 1 1 5 5 ARG N N 15 124.958 0.3 . 1 . . . . 5 ARG N . 18577 1 55 . 1 1 6 6 GLU H H 1 8.637 0.05 . 1 . . . . 6 GLU HN . 18577 1 56 . 1 1 6 6 GLU HA H 1 4.269 0.05 . 1 . . . . 6 GLU HA . 18577 1 57 . 1 1 6 6 GLU HB2 H 1 1.986 0.05 . 2 . . . . 6 GLU HB1 . 18577 1 58 . 1 1 6 6 GLU HB3 H 1 1.986 0.05 . 2 . . . . 6 GLU HB2 . 18577 1 59 . 1 1 6 6 GLU HG2 H 1 2.201 0.05 . 2 . . . . 6 GLU HG1 . 18577 1 60 . 1 1 6 6 GLU HG3 H 1 2.310 0.05 . 2 . . . . 6 GLU HG2 . 18577 1 61 . 1 1 6 6 GLU C C 13 176.510 0.3 . 1 . . . . 6 GLU C . 18577 1 62 . 1 1 6 6 GLU CA C 13 55.078 0.3 . 1 . . . . 6 GLU CA . 18577 1 63 . 1 1 6 6 GLU CB C 13 28.165 0.3 . 1 . . . . 6 GLU CB . 18577 1 64 . 1 1 6 6 GLU CG C 13 34.350 0.3 . 1 . . . . 6 GLU CG . 18577 1 65 . 1 1 6 6 GLU N N 15 123.974 0.3 . 1 . . . . 6 GLU N . 18577 1 66 . 1 1 7 7 LEU H H 1 8.175 0.05 . 1 . . . . 7 LEU HN . 18577 1 67 . 1 1 7 7 LEU HA H 1 4.326 0.05 . 1 . . . . 7 LEU HA . 18577 1 68 . 1 1 7 7 LEU HB2 H 1 1.611 0.05 . 2 . . . . 7 LEU HB1 . 18577 1 69 . 1 1 7 7 LEU HB3 H 1 1.611 0.05 . 2 . . . . 7 LEU HB2 . 18577 1 70 . 1 1 7 7 LEU HG H 1 1.600 0.05 . 1 . . . . 7 LEU HG . 18577 1 71 . 1 1 7 7 LEU HD11 H 1 0.898 0.05 . 2 . . . . 7 LEU HD11 . 18577 1 72 . 1 1 7 7 LEU HD12 H 1 0.898 0.05 . 2 . . . . 7 LEU HD11 . 18577 1 73 . 1 1 7 7 LEU HD13 H 1 0.898 0.05 . 2 . . . . 7 LEU HD11 . 18577 1 74 . 1 1 7 7 LEU HD21 H 1 0.898 0.05 . 2 . . . . 7 LEU HD21 . 18577 1 75 . 1 1 7 7 LEU HD22 H 1 0.898 0.05 . 2 . . . . 7 LEU HD21 . 18577 1 76 . 1 1 7 7 LEU HD23 H 1 0.898 0.05 . 2 . . . . 7 LEU HD21 . 18577 1 77 . 1 1 7 7 LEU C C 13 176.970 0.3 . 1 . . . . 7 LEU C . 18577 1 78 . 1 1 7 7 LEU CA C 13 53.639 0.3 . 1 . . . . 7 LEU CA . 18577 1 79 . 1 1 7 7 LEU CB C 13 40.602 0.3 . 1 . . . . 7 LEU CB . 18577 1 80 . 1 1 7 7 LEU CG C 13 25.112 0.3 . 1 . . . . 7 LEU CG . 18577 1 81 . 1 1 7 7 LEU CD1 C 13 23.324 0.3 . 1 . . . . 7 LEU CD1 . 18577 1 82 . 1 1 7 7 LEU CD2 C 13 21.655 0.3 . 1 . . . . 7 LEU CD2 . 18577 1 83 . 1 1 7 7 LEU N N 15 123.200 0.3 . 1 . . . . 7 LEU N . 18577 1 84 . 1 1 8 8 ASP H H 1 8.176 0.05 . 1 . . . . 8 ASP HN . 18577 1 85 . 1 1 8 8 ASP HA H 1 4.633 0.05 . 1 . . . . 8 ASP HA . 18577 1 86 . 1 1 8 8 ASP HB2 H 1 2.644 0.05 . 2 . . . . 8 ASP HB1 . 18577 1 87 . 1 1 8 8 ASP HB3 H 1 2.644 0.05 . 2 . . . . 8 ASP HB2 . 18577 1 88 . 1 1 8 8 ASP C C 13 175.460 0.3 . 1 . . . . 8 ASP C . 18577 1 89 . 1 1 8 8 ASP CA C 13 52.580 0.3 . 1 . . . . 8 ASP CA . 18577 1 90 . 1 1 8 8 ASP CB C 13 39.343 0.3 . 1 . . . . 8 ASP CB . 18577 1 91 . 1 1 8 8 ASP N N 15 121.848 0.3 . 1 . . . . 8 ASP N . 18577 1 92 . 1 1 9 9 ASP H H 1 8.056 0.05 . 1 . . . . 9 ASP HN . 18577 1 93 . 1 1 9 9 ASP HA H 1 4.861 0.05 . 1 . . . . 9 ASP HA . 18577 1 94 . 1 1 9 9 ASP HB2 H 1 2.588 0.05 . 2 . . . . 9 ASP HB1 . 18577 1 95 . 1 1 9 9 ASP HB3 H 1 2.769 0.05 . 2 . . . . 9 ASP HB2 . 18577 1 96 . 1 1 9 9 ASP C C 13 174.730 0.3 . 1 . . . . 9 ASP C . 18577 1 97 . 1 1 9 9 ASP CA C 13 50.244 0.3 . 1 . . . . 9 ASP CA . 18577 1 98 . 1 1 9 9 ASP CB C 13 39.701 0.3 . 1 . . . . 9 ASP CB . 18577 1 99 . 1 1 9 9 ASP N N 15 122.713 0.3 . 1 . . . . 9 ASP N . 18577 1 100 . 1 1 10 10 PRO HA H 1 4.339 0.05 . 1 . . . . 10 PRO HA . 18577 1 101 . 1 1 10 10 PRO HB2 H 1 2.297 0.05 . 2 . . . . 10 PRO HB1 . 18577 1 102 . 1 1 10 10 PRO HB3 H 1 2.297 0.05 . 2 . . . . 10 PRO HB2 . 18577 1 103 . 1 1 10 10 PRO HG2 H 1 2.011 0.05 . 2 . . . . 10 PRO HG1 . 18577 1 104 . 1 1 10 10 PRO HG3 H 1 2.011 0.05 . 2 . . . . 10 PRO HG2 . 18577 1 105 . 1 1 10 10 PRO HD2 H 1 3.848 0.05 . 2 . . . . 10 PRO HD1 . 18577 1 106 . 1 1 10 10 PRO HD3 H 1 3.848 0.05 . 2 . . . . 10 PRO HD2 . 18577 1 107 . 1 1 10 10 PRO C C 13 177.780 0.3 . 1 . . . . 10 PRO C . 18577 1 108 . 1 1 10 10 PRO CA C 13 62.257 0.3 . 1 . . . . 10 PRO CA . 18577 1 109 . 1 1 10 10 PRO CB C 13 30.176 0.3 . 1 . . . . 10 PRO CB . 18577 1 110 . 1 1 10 10 PRO CG C 13 25.350 0.3 . 1 . . . . 10 PRO CG . 18577 1 111 . 1 1 10 10 PRO CD C 13 49.011 0.3 . 1 . . . . 10 PRO CD . 18577 1 112 . 1 1 11 11 GLY H H 1 8.478 0.05 . 1 . . . . 11 GLY HN . 18577 1 113 . 1 1 11 11 GLY HA2 H 1 3.897 0.05 . 2 . . . . 11 GLY HA1 . 18577 1 114 . 1 1 11 11 GLY HA3 H 1 3.897 0.05 . 2 . . . . 11 GLY HA2 . 18577 1 115 . 1 1 11 11 GLY C C 13 174.160 0.3 . 1 . . . . 11 GLY C . 18577 1 116 . 1 1 11 11 GLY CA C 13 43.546 0.3 . 1 . . . . 11 GLY CA . 18577 1 117 . 1 1 11 11 GLY N N 15 109.580 0.3 . 1 . . . . 11 GLY N . 18577 1 118 . 1 1 12 12 ALA H H 1 7.803 0.05 . 1 . . . . 12 ALA HN . 18577 1 119 . 1 1 12 12 ALA HA H 1 4.235 0.05 . 1 . . . . 12 ALA HA . 18577 1 120 . 1 1 12 12 ALA HB1 H 1 1.281 0.05 . 1 . . . . 12 ALA HB1 . 18577 1 121 . 1 1 12 12 ALA HB2 H 1 1.281 0.05 . 1 . . . . 12 ALA HB1 . 18577 1 122 . 1 1 12 12 ALA HB3 H 1 1.281 0.05 . 1 . . . . 12 ALA HB1 . 18577 1 123 . 1 1 12 12 ALA C C 13 177.410 0.3 . 1 . . . . 12 ALA C . 18577 1 124 . 1 1 12 12 ALA CA C 13 50.808 0.3 . 1 . . . . 12 ALA CA . 18577 1 125 . 1 1 12 12 ALA CB C 13 17.658 0.3 . 1 . . . . 12 ALA CB . 18577 1 126 . 1 1 12 12 ALA N N 15 124.708 0.3 . 1 . . . . 12 ALA N . 18577 1 127 . 1 1 13 13 TYR H H 1 7.932 0.05 . 1 . . . . 13 TYR HN . 18577 1 128 . 1 1 13 13 TYR HA H 1 4.462 0.05 . 1 . . . . 13 TYR HA . 18577 1 129 . 1 1 13 13 TYR HB2 H 1 2.906 0.05 . 2 . . . . 13 TYR HB1 . 18577 1 130 . 1 1 13 13 TYR HB3 H 1 2.906 0.05 . 2 . . . . 13 TYR HB2 . 18577 1 131 . 1 1 13 13 TYR C C 13 175.250 0.3 . 1 . . . . 13 TYR C . 18577 1 132 . 1 1 13 13 TYR CA C 13 55.708 0.3 . 1 . . . . 13 TYR CA . 18577 1 133 . 1 1 13 13 TYR CB C 13 36.856 0.3 . 1 . . . . 13 TYR CB . 18577 1 134 . 1 1 13 13 TYR N N 15 120.015 0.3 . 1 . . . . 13 TYR N . 18577 1 135 . 1 1 14 14 ASN H H 1 8.041 0.05 . 1 . . . . 14 ASN HN . 18577 1 136 . 1 1 14 14 ASN HA H 1 4.675 0.05 . 1 . . . . 14 ASN HA . 18577 1 137 . 1 1 14 14 ASN HB2 H 1 2.600 0.05 . 2 . . . . 14 ASN HB1 . 18577 1 138 . 1 1 14 14 ASN HB3 H 1 2.600 0.05 . 2 . . . . 14 ASN HB2 . 18577 1 139 . 1 1 14 14 ASN C C 13 174.010 0.3 . 1 . . . . 14 ASN C . 18577 1 140 . 1 1 14 14 ASN CA C 13 51.065 0.3 . 1 . . . . 14 ASN CA . 18577 1 141 . 1 1 14 14 ASN CB C 13 37.165 0.3 . 1 . . . . 14 ASN CB . 18577 1 142 . 1 1 14 14 ASN N N 15 121.601 0.3 . 1 . . . . 14 ASN N . 18577 1 143 . 1 1 15 15 TYR H H 1 7.894 0.05 . 1 . . . . 15 TYR HN . 18577 1 144 . 1 1 15 15 TYR HA H 1 4.667 0.05 . 1 . . . . 15 TYR HA . 18577 1 145 . 1 1 15 15 TYR HB2 H 1 2.917 0.05 . 2 . . . . 15 TYR HB1 . 18577 1 146 . 1 1 15 15 TYR HB3 H 1 3.110 0.05 . 2 . . . . 15 TYR HB2 . 18577 1 147 . 1 1 15 15 TYR C C 13 174.120 0.3 . 1 . . . . 15 TYR C . 18577 1 148 . 1 1 15 15 TYR CA C 13 54.128 0.3 . 1 . . . . 15 TYR CA . 18577 1 149 . 1 1 15 15 TYR CB C 13 36.368 0.3 . 1 . . . . 15 TYR CB . 18577 1 150 . 1 1 15 15 TYR N N 15 123.204 0.3 . 1 . . . . 15 TYR N . 18577 1 151 . 1 1 16 16 PRO HA H 1 4.323 0.05 . 1 . . . . 16 PRO HA . 18577 1 152 . 1 1 16 16 PRO HB2 H 1 2.092 0.05 . 2 . . . . 16 PRO HB1 . 18577 1 153 . 1 1 16 16 PRO HB3 H 1 2.092 0.05 . 2 . . . . 16 PRO HB2 . 18577 1 154 . 1 1 16 16 PRO HG2 H 1 1.898 0.05 . 2 . . . . 16 PRO HG1 . 18577 1 155 . 1 1 16 16 PRO HG3 H 1 1.898 0.05 . 2 . . . . 16 PRO HG2 . 18577 1 156 . 1 1 16 16 PRO HD2 H 1 3.675 0.05 . 2 . . . . 16 PRO HD1 . 18577 1 157 . 1 1 16 16 PRO HD3 H 1 3.675 0.05 . 2 . . . . 16 PRO HD2 . 18577 1 158 . 1 1 16 16 PRO C C 13 176.280 0.3 . 1 . . . . 16 PRO C . 18577 1 159 . 1 1 16 16 PRO CA C 13 61.340 0.3 . 1 . . . . 16 PRO CA . 18577 1 160 . 1 1 16 16 PRO CB C 13 29.873 0.3 . 1 . . . . 16 PRO CB . 18577 1 161 . 1 1 16 16 PRO CG C 13 25.350 0.3 . 1 . . . . 16 PRO CG . 18577 1 162 . 1 1 16 16 PRO CD C 13 48.773 0.3 . 1 . . . . 16 PRO CD . 18577 1 163 . 1 1 17 17 PHE H H 1 7.826 0.05 . 1 . . . . 17 PHE HN . 18577 1 164 . 1 1 17 17 PHE HA H 1 4.576 0.05 . 1 . . . . 17 PHE HA . 18577 1 165 . 1 1 17 17 PHE HB2 H 1 2.971 0.05 . 2 . . . . 17 PHE HB1 . 18577 1 166 . 1 1 17 17 PHE HB3 H 1 2.971 0.05 . 2 . . . . 17 PHE HB2 . 18577 1 167 . 1 1 17 17 PHE C C 13 175.780 0.3 . 1 . . . . 17 PHE C . 18577 1 168 . 1 1 17 17 PHE CA C 13 56.016 0.3 . 1 . . . . 17 PHE CA . 18577 1 169 . 1 1 17 17 PHE CB C 13 37.618 0.3 . 1 . . . . 17 PHE CB . 18577 1 170 . 1 1 17 17 PHE N N 15 121.289 0.3 . 1 . . . . 17 PHE N . 18577 1 171 . 1 1 18 18 THR H H 1 7.894 0.05 . 1 . . . . 18 THR HN . 18577 1 172 . 1 1 18 18 THR HA H 1 4.413 0.05 . 1 . . . . 18 THR HA . 18577 1 173 . 1 1 18 18 THR HB H 1 4.264 0.05 . 1 . . . . 18 THR HB . 18577 1 174 . 1 1 18 18 THR HG21 H 1 1.065 0.05 . 1 . . . . 18 THR HG21 . 18577 1 175 . 1 1 18 18 THR HG22 H 1 1.065 0.05 . 1 . . . . 18 THR HG21 . 18577 1 176 . 1 1 18 18 THR HG23 H 1 1.065 0.05 . 1 . . . . 18 THR HG21 . 18577 1 177 . 1 1 18 18 THR C C 13 174.000 0.3 . 1 . . . . 18 THR C . 18577 1 178 . 1 1 18 18 THR CA C 13 59.846 0.3 . 1 . . . . 18 THR CA . 18577 1 179 . 1 1 18 18 THR CB C 13 68.104 0.3 . 1 . . . . 18 THR CB . 18577 1 180 . 1 1 18 18 THR CG2 C 13 20.030 0.3 . 1 . . . . 18 THR CG2 . 18577 1 181 . 1 1 18 18 THR N N 15 116.458 0.3 . 1 . . . . 18 THR N . 18577 1 182 . 1 1 19 19 TRP H H 1 8.023 0.05 . 1 . . . . 19 TRP HN . 18577 1 183 . 1 1 19 19 TRP HA H 1 4.700 0.05 . 1 . . . . 19 TRP HA . 18577 1 184 . 1 1 19 19 TRP HB2 H 1 3.140 0.05 . 2 . . . . 19 TRP HB1 . 18577 1 185 . 1 1 19 19 TRP HB3 H 1 3.280 0.05 . 2 . . . . 19 TRP HB2 . 18577 1 186 . 1 1 19 19 TRP C C 13 175.720 0.3 . 1 . . . . 19 TRP C . 18577 1 187 . 1 1 19 19 TRP CA C 13 55.417 0.3 . 1 . . . . 19 TRP CA . 18577 1 188 . 1 1 19 19 TRP CB C 13 27.945 0.3 . 1 . . . . 19 TRP CB . 18577 1 189 . 1 1 19 19 TRP N N 15 124.450 0.3 . 1 . . . . 19 TRP N . 18577 1 190 . 1 1 20 20 ASN H H 1 8.196 0.05 . 1 . . . . 20 ASN HN . 18577 1 191 . 1 1 20 20 ASN HA H 1 4.701 0.05 . 1 . . . . 20 ASN HA . 18577 1 192 . 1 1 20 20 ASN HB2 H 1 2.611 0.05 . 2 . . . . 20 ASN HB1 . 18577 1 193 . 1 1 20 20 ASN HB3 H 1 2.611 0.05 . 2 . . . . 20 ASN HB2 . 18577 1 194 . 1 1 20 20 ASN C C 13 174.550 0.3 . 1 . . . . 20 ASN C . 18577 1 195 . 1 1 20 20 ASN CA C 13 51.219 0.3 . 1 . . . . 20 ASN CA . 18577 1 196 . 1 1 20 20 ASN CB C 13 37.242 0.3 . 1 . . . . 20 ASN CB . 18577 1 197 . 1 1 20 20 ASN N N 15 121.641 0.3 . 1 . . . . 20 ASN N . 18577 1 198 . 1 1 21 21 THR H H 1 7.908 0.05 . 1 . . . . 21 THR HN . 18577 1 199 . 1 1 21 21 THR HA H 1 4.542 0.05 . 1 . . . . 21 THR HA . 18577 1 200 . 1 1 21 21 THR HB H 1 4.156 0.05 . 1 . . . . 21 THR HB . 18577 1 201 . 1 1 21 21 THR HG21 H 1 1.304 0.05 . 1 . . . . 21 THR HG21 . 18577 1 202 . 1 1 21 21 THR HG22 H 1 1.304 0.05 . 1 . . . . 21 THR HG21 . 18577 1 203 . 1 1 21 21 THR HG23 H 1 1.304 0.05 . 1 . . . . 21 THR HG21 . 18577 1 204 . 1 1 21 21 THR C C 13 172.870 0.3 . 1 . . . . 21 THR C . 18577 1 205 . 1 1 21 21 THR CA C 13 57.988 0.3 . 1 . . . . 21 THR CA . 18577 1 206 . 1 1 21 21 THR CB C 13 67.976 0.3 . 1 . . . . 21 THR CB . 18577 1 207 . 1 1 21 21 THR N N 15 117.754 0.3 . 1 . . . . 21 THR N . 18577 1 208 . 1 1 22 22 PRO HA H 1 4.447 0.05 . 1 . . . . 22 PRO HA . 18577 1 209 . 1 1 22 22 PRO HB2 H 1 1.989 0.05 . 2 . . . . 22 PRO HB1 . 18577 1 210 . 1 1 22 22 PRO HB3 H 1 1.989 0.05 . 2 . . . . 22 PRO HB2 . 18577 1 211 . 1 1 22 22 PRO HG2 H 1 2.314 0.05 . 2 . . . . 22 PRO HG1 . 18577 1 212 . 1 1 22 22 PRO HG3 H 1 2.314 0.05 . 2 . . . . 22 PRO HG2 . 18577 1 213 . 1 1 22 22 PRO HD2 H 1 3.740 0.05 . 2 . . . . 22 PRO HD1 . 18577 1 214 . 1 1 22 22 PRO HD3 H 1 3.740 0.05 . 2 . . . . 22 PRO HD2 . 18577 1 215 . 1 1 22 22 PRO C C 13 176.840 0.3 . 1 . . . . 22 PRO C . 18577 1 216 . 1 1 22 22 PRO CA C 13 61.800 0.3 . 1 . . . . 22 PRO CA . 18577 1 217 . 1 1 22 22 PRO CB C 13 30.398 0.3 . 1 . . . . 22 PRO CB . 18577 1 218 . 1 1 22 22 PRO CG C 13 25.589 0.3 . 1 . . . . 22 PRO CG . 18577 1 219 . 1 1 22 22 PRO CD C 13 49.369 0.3 . 1 . . . . 22 PRO CD . 18577 1 220 . 1 1 23 23 SER H H 1 8.235 0.05 . 1 . . . . 23 SER HN . 18577 1 221 . 1 1 23 23 SER HA H 1 4.417 0.05 . 1 . . . . 23 SER HA . 18577 1 222 . 1 1 23 23 SER HB2 H 1 3.872 0.05 . 2 . . . . 23 SER HB1 . 18577 1 223 . 1 1 23 23 SER HB3 H 1 3.872 0.05 . 2 . . . . 23 SER HB2 . 18577 1 224 . 1 1 23 23 SER C C 13 173.540 0.3 . 1 . . . . 23 SER C . 18577 1 225 . 1 1 23 23 SER CA C 13 56.403 0.3 . 1 . . . . 23 SER CA . 18577 1 226 . 1 1 23 23 SER CB C 13 62.331 0.3 . 1 . . . . 23 SER CB . 18577 1 227 . 1 1 23 23 SER N N 15 117.156 0.3 . 1 . . . . 23 SER N . 18577 1 228 . 1 1 24 24 ALA H H 1 8.142 0.05 . 1 . . . . 24 ALA HN . 18577 1 229 . 1 1 24 24 ALA HA H 1 4.474 0.05 . 1 . . . . 24 ALA HA . 18577 1 230 . 1 1 24 24 ALA HB1 H 1 1.247 0.05 . 1 . . . . 24 ALA HB1 . 18577 1 231 . 1 1 24 24 ALA HB2 H 1 1.247 0.05 . 1 . . . . 24 ALA HB1 . 18577 1 232 . 1 1 24 24 ALA HB3 H 1 1.247 0.05 . 1 . . . . 24 ALA HB1 . 18577 1 233 . 1 1 24 24 ALA C C 13 174.700 0.3 . 1 . . . . 24 ALA C . 18577 1 234 . 1 1 24 24 ALA CA C 13 48.650 0.3 . 1 . . . . 24 ALA CA . 18577 1 235 . 1 1 24 24 ALA CB C 13 16.576 0.3 . 1 . . . . 24 ALA CB . 18577 1 236 . 1 1 24 24 ALA N N 15 128.200 0.3 . 1 . . . . 24 ALA N . 18577 1 237 . 1 1 25 25 PRO HA H 1 4.400 0.05 . 1 . . . . 25 PRO HA . 18577 1 238 . 1 1 25 25 PRO HB2 H 1 2.265 0.05 . 2 . . . . 25 PRO HB1 . 18577 1 239 . 1 1 25 25 PRO HB3 H 1 2.265 0.05 . 2 . . . . 25 PRO HB2 . 18577 1 240 . 1 1 25 25 PRO HG2 H 1 1.900 0.05 . 2 . . . . 25 PRO HG1 . 18577 1 241 . 1 1 25 25 PRO HG3 H 1 1.900 0.05 . 2 . . . . 25 PRO HG2 . 18577 1 242 . 1 1 25 25 PRO HD2 H 1 3.390 0.05 . 2 . . . . 25 PRO HD1 . 18577 1 243 . 1 1 25 25 PRO HD3 H 1 3.466 0.05 . 2 . . . . 25 PRO HD2 . 18577 1 244 . 1 1 25 25 PRO CA C 13 61.690 0.3 . 1 . . . . 25 PRO CA . 18577 1 245 . 1 1 25 25 PRO CB C 13 30.600 0.3 . 1 . . . . 25 PRO CB . 18577 1 246 . 1 1 25 25 PRO CG C 13 25.780 0.3 . 1 . . . . 25 PRO CG . 18577 1 247 . 1 1 25 25 PRO CD C 13 48.800 0.3 . 1 . . . . 25 PRO CD . 18577 1 248 . 1 1 26 26 PRO HA H 1 4.400 0.05 . 1 . . . . 26 PRO HA . 18577 1 249 . 1 1 26 26 PRO HB2 H 1 2.265 0.05 . 2 . . . . 26 PRO HB1 . 18577 1 250 . 1 1 26 26 PRO HB3 H 1 2.265 0.05 . 2 . . . . 26 PRO HB2 . 18577 1 251 . 1 1 26 26 PRO HG2 H 1 2.033 0.05 . 2 . . . . 26 PRO HG1 . 18577 1 252 . 1 1 26 26 PRO HG3 H 1 2.033 0.05 . 2 . . . . 26 PRO HG2 . 18577 1 253 . 1 1 26 26 PRO HD2 H 1 3.642 0.05 . 2 . . . . 26 PRO HD1 . 18577 1 254 . 1 1 26 26 PRO HD3 H 1 3.642 0.05 . 2 . . . . 26 PRO HD2 . 18577 1 255 . 1 1 26 26 PRO C C 13 176.422 0.3 . 1 . . . . 26 PRO C . 18577 1 256 . 1 1 26 26 PRO CA C 13 61.722 0.3 . 1 . . . . 26 PRO CA . 18577 1 257 . 1 1 26 26 PRO CB C 13 30.078 0.3 . 1 . . . . 26 PRO CB . 18577 1 258 . 1 1 26 26 PRO CG C 13 25.708 0.3 . 1 . . . . 26 PRO CG . 18577 1 259 . 1 1 26 26 PRO CD C 13 48.773 0.3 . 1 . . . . 26 PRO CD . 18577 1 260 . 1 1 27 27 GLY H H 1 8.404 0.05 . 1 . . . . 27 GLY HN . 18577 1 261 . 1 1 27 27 GLY HA2 H 1 3.906 0.05 . 2 . . . . 27 GLY HA1 . 18577 1 262 . 1 1 27 27 GLY HA3 H 1 3.906 0.05 . 2 . . . . 27 GLY HA2 . 18577 1 263 . 1 1 27 27 GLY C C 13 173.940 0.3 . 1 . . . . 27 GLY C . 18577 1 264 . 1 1 27 27 GLY CA C 13 43.506 0.3 . 1 . . . . 27 GLY CA . 18577 1 265 . 1 1 27 27 GLY N N 15 110.887 0.3 . 1 . . . . 27 GLY N . 18577 1 266 . 1 1 28 28 TYR H H 1 7.895 0.05 . 1 . . . . 28 TYR HN . 18577 1 267 . 1 1 28 28 TYR HA H 1 4.508 0.05 . 1 . . . . 28 TYR HA . 18577 1 268 . 1 1 28 28 TYR HB2 H 1 2.974 0.05 . 2 . . . . 28 TYR HB1 . 18577 1 269 . 1 1 28 28 TYR HB3 H 1 2.974 0.05 . 2 . . . . 28 TYR HB2 . 18577 1 270 . 1 1 28 28 TYR C C 13 175.290 0.3 . 1 . . . . 28 TYR C . 18577 1 271 . 1 1 28 28 TYR CA C 13 56.325 0.3 . 1 . . . . 28 TYR CA . 18577 1 272 . 1 1 28 28 TYR CB C 13 37.236 0.3 . 1 . . . . 28 TYR CB . 18577 1 273 . 1 1 28 28 TYR N N 15 121.553 0.3 . 1 . . . . 28 TYR N . 18577 1 274 . 1 1 29 29 ASN H H 1 8.327 0.05 . 1 . . . . 29 ASN HN . 18577 1 275 . 1 1 29 29 ASN HA H 1 4.701 0.05 . 1 . . . . 29 ASN HA . 18577 1 276 . 1 1 29 29 ASN HB2 H 1 2.747 0.05 . 2 . . . . 29 ASN HB1 . 18577 1 277 . 1 1 29 29 ASN HB3 H 1 2.818 0.05 . 2 . . . . 29 ASN HB2 . 18577 1 278 . 1 1 29 29 ASN C C 13 174.590 0.3 . 1 . . . . 29 ASN C . 18577 1 279 . 1 1 29 29 ASN CA C 13 51.250 0.3 . 1 . . . . 29 ASN CA . 18577 1 280 . 1 1 29 29 ASN CB C 13 37.197 0.3 . 1 . . . . 29 ASN CB . 18577 1 281 . 1 1 29 29 ASN N N 15 122.312 0.3 . 1 . . . . 29 ASN N . 18577 1 282 . 1 1 30 30 ILE H H 1 7.921 0.05 . 1 . . . . 30 ILE HN . 18577 1 283 . 1 1 30 30 ILE HA H 1 4.175 0.05 . 1 . . . . 30 ILE HA . 18577 1 284 . 1 1 30 30 ILE HB H 1 1.861 0.05 . 1 . . . . 30 ILE HB . 18577 1 285 . 1 1 30 30 ILE HG12 H 1 1.190 0.05 . 1 . . . . 30 ILE HG11 . 18577 1 286 . 1 1 30 30 ILE HG13 H 1 1.417 0.05 . 1 . . . . 30 ILE HG12 . 18577 1 287 . 1 1 30 30 ILE HG21 H 1 0.898 0.05 . 1 . . . . 30 ILE HG21 . 18577 1 288 . 1 1 30 30 ILE HG22 H 1 0.898 0.05 . 1 . . . . 30 ILE HG21 . 18577 1 289 . 1 1 30 30 ILE HG23 H 1 0.898 0.05 . 1 . . . . 30 ILE HG21 . 18577 1 290 . 1 1 30 30 ILE HD11 H 1 0.838 0.05 . 1 . . . . 30 ILE HD11 . 18577 1 291 . 1 1 30 30 ILE HD12 H 1 0.838 0.05 . 1 . . . . 30 ILE HD11 . 18577 1 292 . 1 1 30 30 ILE HD13 H 1 0.838 0.05 . 1 . . . . 30 ILE HD11 . 18577 1 293 . 1 1 30 30 ILE C C 13 175.580 0.3 . 1 . . . . 30 ILE C . 18577 1 294 . 1 1 30 30 ILE CA C 13 59.383 0.3 . 1 . . . . 30 ILE CA . 18577 1 295 . 1 1 30 30 ILE CB C 13 37.132 0.3 . 1 . . . . 30 ILE CB . 18577 1 296 . 1 1 30 30 ILE CG1 C 13 25.350 0.3 . 1 . . . . 30 ILE CG1 . 18577 1 297 . 1 1 30 30 ILE CG2 C 13 16.053 0.3 . 1 . . . . 30 ILE CG2 . 18577 1 298 . 1 1 30 30 ILE CD1 C 13 11.523 0.3 . 1 . . . . 30 ILE CD1 . 18577 1 299 . 1 1 30 30 ILE N N 15 122.351 0.3 . 1 . . . . 30 ILE N . 18577 1 300 . 1 1 31 31 ALA H H 1 8.261 0.05 . 1 . . . . 31 ALA HN . 18577 1 301 . 1 1 31 31 ALA HA H 1 4.349 0.05 . 1 . . . . 31 ALA HA . 18577 1 302 . 1 1 31 31 ALA HB1 H 1 1.372 0.05 . 1 . . . . 31 ALA HB1 . 18577 1 303 . 1 1 31 31 ALA HB2 H 1 1.372 0.05 . 1 . . . . 31 ALA HB1 . 18577 1 304 . 1 1 31 31 ALA HB3 H 1 1.372 0.05 . 1 . . . . 31 ALA HB1 . 18577 1 305 . 1 1 31 31 ALA C C 13 177.300 0.3 . 1 . . . . 31 ALA C . 18577 1 306 . 1 1 31 31 ALA CA C 13 50.669 0.3 . 1 . . . . 31 ALA CA . 18577 1 307 . 1 1 31 31 ALA CB C 13 17.538 0.3 . 1 . . . . 31 ALA CB . 18577 1 308 . 1 1 31 31 ALA N N 15 129.202 0.3 . 1 . . . . 31 ALA N . 18577 1 309 . 1 1 32 32 VAL H H 1 7.978 0.05 . 1 . . . . 32 VAL HN . 18577 1 310 . 1 1 32 32 VAL HA H 1 4.087 0.05 . 1 . . . . 32 VAL HA . 18577 1 311 . 1 1 32 32 VAL HB H 1 2.008 0.05 . 1 . . . . 32 VAL HB . 18577 1 312 . 1 1 32 32 VAL HG11 H 1 0.827 0.05 . 2 . . . . 32 VAL HG11 . 18577 1 313 . 1 1 32 32 VAL HG12 H 1 0.827 0.05 . 2 . . . . 32 VAL HG11 . 18577 1 314 . 1 1 32 32 VAL HG13 H 1 0.827 0.05 . 2 . . . . 32 VAL HG11 . 18577 1 315 . 1 1 32 32 VAL HG21 H 1 0.997 0.05 . 2 . . . . 32 VAL HG21 . 18577 1 316 . 1 1 32 32 VAL HG22 H 1 0.997 0.05 . 2 . . . . 32 VAL HG21 . 18577 1 317 . 1 1 32 32 VAL HG23 H 1 0.997 0.05 . 2 . . . . 32 VAL HG21 . 18577 1 318 . 1 1 32 32 VAL C C 13 175.760 0.3 . 1 . . . . 32 VAL C . 18577 1 319 . 1 1 32 32 VAL CA C 13 60.254 0.3 . 1 . . . . 32 VAL CA . 18577 1 320 . 1 1 32 32 VAL CB C 13 31.227 0.3 . 1 . . . . 32 VAL CB . 18577 1 321 . 1 1 32 32 VAL CG1 C 13 19.092 0.3 . 1 . . . . 32 VAL CG1 . 18577 1 322 . 1 1 32 32 VAL CG2 C 13 19.092 0.3 . 1 . . . . 32 VAL CG2 . 18577 1 323 . 1 1 32 32 VAL N N 15 121.296 0.3 . 1 . . . . 32 VAL N . 18577 1 324 . 1 1 33 33 LYS H H 1 8.350 0.05 . 1 . . . . 33 LYS HN . 18577 1 325 . 1 1 33 33 LYS HA H 1 4.610 0.05 . 1 . . . . 33 LYS HA . 18577 1 326 . 1 1 33 33 LYS HB2 H 1 1.770 0.05 . 2 . . . . 33 LYS HB1 . 18577 1 327 . 1 1 33 33 LYS HB3 H 1 1.850 0.05 . 2 . . . . 33 LYS HB2 . 18577 1 328 . 1 1 33 33 LYS HG2 H 1 1.430 0.05 . 2 . . . . 33 LYS HG1 . 18577 1 329 . 1 1 33 33 LYS HG3 H 1 1.430 0.05 . 2 . . . . 33 LYS HG2 . 18577 1 330 . 1 1 33 33 LYS HD2 H 1 1.700 0.05 . 2 . . . . 33 LYS HD1 . 18577 1 331 . 1 1 33 33 LYS HD3 H 1 1.700 0.05 . 2 . . . . 33 LYS HD2 . 18577 1 332 . 1 1 33 33 LYS HE2 H 1 3.000 0.05 . 2 . . . . 33 LYS HE1 . 18577 1 333 . 1 1 33 33 LYS HE3 H 1 3.000 0.05 . 2 . . . . 33 LYS HE2 . 18577 1 334 . 1 1 33 33 LYS C C 13 174.400 0.3 . 1 . . . . 33 LYS C . 18577 1 335 . 1 1 33 33 LYS CA C 13 52.263 0.3 . 1 . . . . 33 LYS CA . 18577 1 336 . 1 1 33 33 LYS CB C 13 30.950 0.3 . 1 . . . . 33 LYS CB . 18577 1 337 . 1 1 33 33 LYS CG C 13 23.141 0.3 . 1 . . . . 33 LYS CG . 18577 1 338 . 1 1 33 33 LYS CD C 13 27.235 0.3 . 1 . . . . 33 LYS CD . 18577 1 339 . 1 1 33 33 LYS CE C 13 40.462 0.3 . 1 . . . . 33 LYS CE . 18577 1 340 . 1 1 33 33 LYS N N 15 128.020 0.3 . 1 . . . . 33 LYS N . 18577 1 341 . 1 1 34 34 PRO HA H 1 4.404 0.05 . 1 . . . . 34 PRO HA . 18577 1 342 . 1 1 34 34 PRO HB2 H 1 2.314 0.05 . 2 . . . . 34 PRO HB1 . 18577 1 343 . 1 1 34 34 PRO HB3 H 1 2.314 0.05 . 2 . . . . 34 PRO HB2 . 18577 1 344 . 1 1 34 34 PRO HG2 H 1 2.016 0.05 . 2 . . . . 34 PRO HG1 . 18577 1 345 . 1 1 34 34 PRO HG3 H 1 2.016 0.05 . 2 . . . . 34 PRO HG2 . 18577 1 346 . 1 1 34 34 PRO HD2 H 1 3.690 0.05 . 2 . . . . 34 PRO HD1 . 18577 1 347 . 1 1 34 34 PRO HD3 H 1 3.690 0.05 . 2 . . . . 34 PRO HD2 . 18577 1 348 . 1 1 34 34 PRO C C 13 176.750 0.3 . 1 . . . . 34 PRO C . 18577 1 349 . 1 1 34 34 PRO CA C 13 61.808 0.3 . 1 . . . . 34 PRO CA . 18577 1 350 . 1 1 34 34 PRO CB C 13 30.370 0.3 . 1 . . . . 34 PRO CB . 18577 1 351 . 1 1 34 34 PRO CG C 13 25.708 0.3 . 1 . . . . 34 PRO CG . 18577 1 352 . 1 1 34 34 PRO CD C 13 48.980 0.3 . 1 . . . . 34 PRO CD . 18577 1 353 . 1 1 35 35 ASP H H 1 8.383 0.05 . 1 . . . . 35 ASP HN . 18577 1 354 . 1 1 35 35 ASP HA H 1 4.531 0.05 . 1 . . . . 35 ASP HA . 18577 1 355 . 1 1 35 35 ASP HB2 H 1 1.700 0.05 . 2 . . . . 35 ASP HB1 . 18577 1 356 . 1 1 35 35 ASP HB3 H 1 1.820 0.05 . 2 . . . . 35 ASP HB2 . 18577 1 357 . 1 1 35 35 ASP C C 13 176.190 0.3 . 1 . . . . 35 ASP C . 18577 1 358 . 1 1 35 35 ASP CA C 13 52.688 0.3 . 1 . . . . 35 ASP CA . 18577 1 359 . 1 1 35 35 ASP CB C 13 39.004 0.3 . 1 . . . . 35 ASP CB . 18577 1 360 . 1 1 35 35 ASP N N 15 120.464 0.3 . 1 . . . . 35 ASP N . 18577 1 361 . 1 1 36 36 GLN H H 1 8.142 0.05 . 1 . . . . 36 GLN HN . 18577 1 362 . 1 1 36 36 GLN HA H 1 4.326 0.05 . 1 . . . . 36 GLN HA . 18577 1 363 . 1 1 36 36 GLN HB2 H 1 2.050 0.05 . 2 . . . . 36 GLN HB1 . 18577 1 364 . 1 1 36 36 GLN HB3 H 1 2.050 0.05 . 2 . . . . 36 GLN HB2 . 18577 1 365 . 1 1 36 36 GLN HG2 H 1 2.314 0.05 . 2 . . . . 36 GLN HG1 . 18577 1 366 . 1 1 36 36 GLN HG3 H 1 2.314 0.05 . 2 . . . . 36 GLN HG2 . 18577 1 367 . 1 1 36 36 GLN C C 13 175.980 0.3 . 1 . . . . 36 GLN C . 18577 1 368 . 1 1 36 36 GLN CA C 13 54.091 0.3 . 1 . . . . 36 GLN CA . 18577 1 369 . 1 1 36 36 GLN CB C 13 27.946 0.3 . 1 . . . . 36 GLN CB . 18577 1 370 . 1 1 36 36 GLN CG C 13 32.025 0.3 . 1 . . . . 36 GLN CG . 18577 1 371 . 1 1 36 36 GLN N N 15 121.149 0.3 . 1 . . . . 36 GLN N . 18577 1 372 . 1 1 37 37 ILE H H 1 8.047 0.05 . 1 . . . . 37 ILE HN . 18577 1 373 . 1 1 37 37 ILE HA H 1 4.053 0.05 . 1 . . . . 37 ILE HA . 18577 1 374 . 1 1 37 37 ILE HB H 1 1.815 0.05 . 1 . . . . 37 ILE HB . 18577 1 375 . 1 1 37 37 ILE HG12 H 1 1.163 0.05 . 1 . . . . 37 ILE HG11 . 18577 1 376 . 1 1 37 37 ILE HG13 H 1 1.449 0.05 . 1 . . . . 37 ILE HG12 . 18577 1 377 . 1 1 37 37 ILE HG21 H 1 0.757 0.05 . 1 . . . . 37 ILE HG21 . 18577 1 378 . 1 1 37 37 ILE HG22 H 1 0.757 0.05 . 1 . . . . 37 ILE HG21 . 18577 1 379 . 1 1 37 37 ILE HG23 H 1 0.757 0.05 . 1 . . . . 37 ILE HG21 . 18577 1 380 . 1 1 37 37 ILE HD11 H 1 0.890 0.05 . 1 . . . . 37 ILE HD11 . 18577 1 381 . 1 1 37 37 ILE HD12 H 1 0.890 0.05 . 1 . . . . 37 ILE HD11 . 18577 1 382 . 1 1 37 37 ILE HD13 H 1 0.890 0.05 . 1 . . . . 37 ILE HD11 . 18577 1 383 . 1 1 37 37 ILE C C 13 175.980 0.3 . 1 . . . . 37 ILE C . 18577 1 384 . 1 1 37 37 ILE CA C 13 59.821 0.3 . 1 . . . . 37 ILE CA . 18577 1 385 . 1 1 37 37 ILE CB C 13 36.788 0.3 . 1 . . . . 37 ILE CB . 18577 1 386 . 1 1 37 37 ILE CG1 C 13 25.708 0.3 . 1 . . . . 37 ILE CG1 . 18577 1 387 . 1 1 37 37 ILE CG2 C 13 15.695 0.3 . 1 . . . . 37 ILE CG2 . 18577 1 388 . 1 1 37 37 ILE CD1 C 13 11.166 0.3 . 1 . . . . 37 ILE CD1 . 18577 1 389 . 1 1 37 37 ILE N N 15 123.794 0.3 . 1 . . . . 37 ILE N . 18577 1 390 . 1 1 38 38 GLN H H 1 8.361 0.05 . 1 . . . . 38 GLN HN . 18577 1 391 . 1 1 38 38 GLN HA H 1 4.315 0.05 . 1 . . . . 38 GLN HA . 18577 1 392 . 1 1 38 38 GLN HB2 H 1 1.951 0.05 . 2 . . . . 38 GLN HB1 . 18577 1 393 . 1 1 38 38 GLN HB3 H 1 1.951 0.05 . 2 . . . . 38 GLN HB2 . 18577 1 394 . 1 1 38 38 GLN HG2 H 1 2.270 0.05 . 2 . . . . 38 GLN HG1 . 18577 1 395 . 1 1 38 38 GLN HG3 H 1 2.270 0.05 . 2 . . . . 38 GLN HG2 . 18577 1 396 . 1 1 38 38 GLN C C 13 175.590 0.3 . 1 . . . . 38 GLN C . 18577 1 397 . 1 1 38 38 GLN CA C 13 53.858 0.3 . 1 . . . . 38 GLN CA . 18577 1 398 . 1 1 38 38 GLN CB C 13 27.672 0.3 . 1 . . . . 38 GLN CB . 18577 1 399 . 1 1 38 38 GLN CG C 13 31.966 0.3 . 1 . . . . 38 GLN CG . 18577 1 400 . 1 1 38 38 GLN N N 15 125.362 0.3 . 1 . . . . 38 GLN N . 18577 1 401 . 1 1 39 39 TYR H H 1 8.263 0.05 . 1 . . . . 39 TYR HN . 18577 1 402 . 1 1 39 39 TYR HA H 1 4.610 0.05 . 1 . . . . 39 TYR HA . 18577 1 403 . 1 1 39 39 TYR HB2 H 1 2.951 0.05 . 2 . . . . 39 TYR HB1 . 18577 1 404 . 1 1 39 39 TYR HB3 H 1 3.156 0.05 . 2 . . . . 39 TYR HB2 . 18577 1 405 . 1 1 39 39 TYR C C 13 176.070 0.3 . 1 . . . . 39 TYR C . 18577 1 406 . 1 1 39 39 TYR CA C 13 56.556 0.3 . 1 . . . . 39 TYR CA . 18577 1 407 . 1 1 39 39 TYR CB C 13 37.092 0.3 . 1 . . . . 39 TYR CB . 18577 1 408 . 1 1 39 39 TYR N N 15 123.542 0.3 . 1 . . . . 39 TYR N . 18577 1 409 . 1 1 40 40 THR H H 1 8.054 0.05 . 1 . . . . 40 THR HN . 18577 1 410 . 1 1 40 40 THR HA H 1 4.379 0.05 . 1 . . . . 40 THR HA . 18577 1 411 . 1 1 40 40 THR HB H 1 4.204 0.05 . 1 . . . . 40 THR HB . 18577 1 412 . 1 1 40 40 THR HG21 H 1 1.170 0.05 . 1 . . . . 40 THR HG21 . 18577 1 413 . 1 1 40 40 THR HG22 H 1 1.170 0.05 . 1 . . . . 40 THR HG21 . 18577 1 414 . 1 1 40 40 THR HG23 H 1 1.170 0.05 . 1 . . . . 40 THR HG21 . 18577 1 415 . 1 1 40 40 THR C C 13 174.290 0.3 . 1 . . . . 40 THR C . 18577 1 416 . 1 1 40 40 THR CA C 13 60.362 0.3 . 1 . . . . 40 THR CA . 18577 1 417 . 1 1 40 40 THR CB C 13 68.097 0.3 . 1 . . . . 40 THR CB . 18577 1 418 . 1 1 40 40 THR CG2 C 13 20.030 0.3 . 1 . . . . 40 THR CG2 . 18577 1 419 . 1 1 40 40 THR N N 15 117.535 0.3 . 1 . . . . 40 THR N . 18577 1 420 . 1 1 41 41 GLU H H 1 8.403 0.05 . 1 . . . . 41 GLU HN . 18577 1 421 . 1 1 41 41 GLU HA H 1 4.303 0.05 . 1 . . . . 41 GLU HA . 18577 1 422 . 1 1 41 41 GLU HB2 H 1 1.895 0.05 . 2 . . . . 41 GLU HB1 . 18577 1 423 . 1 1 41 41 GLU HB3 H 1 1.895 0.05 . 2 . . . . 41 GLU HB2 . 18577 1 424 . 1 1 41 41 GLU HG2 H 1 2.258 0.05 . 2 . . . . 41 GLU HG1 . 18577 1 425 . 1 1 41 41 GLU HG3 H 1 2.258 0.05 . 2 . . . . 41 GLU HG2 . 18577 1 426 . 1 1 41 41 GLU C C 13 176.690 0.3 . 1 . . . . 41 GLU C . 18577 1 427 . 1 1 41 41 GLU CA C 13 55.092 0.3 . 1 . . . . 41 GLU CA . 18577 1 428 . 1 1 41 41 GLU CB C 13 28.260 0.3 . 1 . . . . 41 GLU CB . 18577 1 429 . 1 1 41 41 GLU CG C 13 34.409 0.3 . 1 . . . . 41 GLU CG . 18577 1 430 . 1 1 41 41 GLU N N 15 124.711 0.3 . 1 . . . . 41 GLU N . 18577 1 431 . 1 1 42 42 LEU H H 1 8.207 0.05 . 1 . . . . 42 LEU HN . 18577 1 432 . 1 1 42 42 LEU HA H 1 4.349 0.05 . 1 . . . . 42 LEU HA . 18577 1 433 . 1 1 42 42 LEU HB2 H 1 1.656 0.05 . 2 . . . . 42 LEU HB1 . 18577 1 434 . 1 1 42 42 LEU HB3 H 1 1.656 0.05 . 2 . . . . 42 LEU HB2 . 18577 1 435 . 1 1 42 42 LEU HG H 1 1.611 0.05 . 1 . . . . 42 LEU HG . 18577 1 436 . 1 1 42 42 LEU HD11 H 1 0.893 0.05 . 2 . . . . 42 LEU HD11 . 18577 1 437 . 1 1 42 42 LEU HD12 H 1 0.893 0.05 . 2 . . . . 42 LEU HD11 . 18577 1 438 . 1 1 42 42 LEU HD13 H 1 0.893 0.05 . 2 . . . . 42 LEU HD11 . 18577 1 439 . 1 1 42 42 LEU HD21 H 1 0.843 0.05 . 2 . . . . 42 LEU HD21 . 18577 1 440 . 1 1 42 42 LEU HD22 H 1 0.843 0.05 . 2 . . . . 42 LEU HD21 . 18577 1 441 . 1 1 42 42 LEU HD23 H 1 0.843 0.05 . 2 . . . . 42 LEU HD21 . 18577 1 442 . 1 1 42 42 LEU C C 13 177.700 0.3 . 1 . . . . 42 LEU C . 18577 1 443 . 1 1 42 42 LEU CA C 13 53.707 0.3 . 1 . . . . 42 LEU CA . 18577 1 444 . 1 1 42 42 LEU CB C 13 40.510 0.3 . 1 . . . . 42 LEU CB . 18577 1 445 . 1 1 42 42 LEU CG C 13 25.231 0.3 . 1 . . . . 42 LEU CG . 18577 1 446 . 1 1 42 42 LEU CD1 C 13 23.383 0.3 . 1 . . . . 42 LEU CD1 . 18577 1 447 . 1 1 42 42 LEU CD2 C 13 21.655 0.3 . 1 . . . . 42 LEU CD2 . 18577 1 448 . 1 1 42 42 LEU N N 15 124.408 0.3 . 1 . . . . 42 LEU N . 18577 1 449 . 1 1 43 43 SER H H 1 8.228 0.05 . 1 . . . . 43 SER HN . 18577 1 450 . 1 1 43 43 SER HA H 1 4.462 0.05 . 1 . . . . 43 SER HA . 18577 1 451 . 1 1 43 43 SER HB2 H 1 3.883 0.05 . 2 . . . . 43 SER HB1 . 18577 1 452 . 1 1 43 43 SER HB3 H 1 3.883 0.05 . 2 . . . . 43 SER HB2 . 18577 1 453 . 1 1 43 43 SER C C 13 174.400 0.3 . 1 . . . . 43 SER C . 18577 1 454 . 1 1 43 43 SER CA C 13 56.542 0.3 . 1 . . . . 43 SER CA . 18577 1 455 . 1 1 43 43 SER CB C 13 62.273 0.3 . 1 . . . . 43 SER CB . 18577 1 456 . 1 1 43 43 SER N N 15 117.440 0.3 . 1 . . . . 43 SER N . 18577 1 457 . 1 1 44 44 ASN H H 1 8.505 0.05 . 1 . . . . 44 ASN HN . 18577 1 458 . 1 1 44 44 ASN HA H 1 4.780 0.05 . 1 . . . . 44 ASN HA . 18577 1 459 . 1 1 44 44 ASN HB2 H 1 2.815 0.05 . 2 . . . . 44 ASN HB1 . 18577 1 460 . 1 1 44 44 ASN HB3 H 1 2.815 0.05 . 2 . . . . 44 ASN HB2 . 18577 1 461 . 1 1 44 44 ASN C C 13 175.270 0.3 . 1 . . . . 44 ASN C . 18577 1 462 . 1 1 44 44 ASN CA C 13 51.669 0.3 . 1 . . . . 44 ASN CA . 18577 1 463 . 1 1 44 44 ASN CB C 13 36.858 0.3 . 1 . . . . 44 ASN CB . 18577 1 464 . 1 1 44 44 ASN N N 15 122.584 0.3 . 1 . . . . 44 ASN N . 18577 1 465 . 1 1 45 45 ALA H H 1 8.106 0.05 . 1 . . . . 45 ALA HN . 18577 1 466 . 1 1 45 45 ALA HA H 1 4.258 0.05 . 1 . . . . 45 ALA HA . 18577 1 467 . 1 1 45 45 ALA HB1 H 1 1.383 0.05 . 1 . . . . 45 ALA HB1 . 18577 1 468 . 1 1 45 45 ALA HB2 H 1 1.383 0.05 . 1 . . . . 45 ALA HB1 . 18577 1 469 . 1 1 45 45 ALA HB3 H 1 1.383 0.05 . 1 . . . . 45 ALA HB1 . 18577 1 470 . 1 1 45 45 ALA C C 13 177.880 0.3 . 1 . . . . 45 ALA C . 18577 1 471 . 1 1 45 45 ALA CA C 13 51.346 0.3 . 1 . . . . 45 ALA CA . 18577 1 472 . 1 1 45 45 ALA CB C 13 17.509 0.3 . 1 . . . . 45 ALA CB . 18577 1 473 . 1 1 45 45 ALA N N 15 125.267 0.3 . 1 . . . . 45 ALA N . 18577 1 474 . 1 1 46 46 LYS H H 1 8.142 0.05 . 1 . . . . 46 LYS HN . 18577 1 475 . 1 1 46 46 LYS HA H 1 4.326 0.05 . 1 . . . . 46 LYS HA . 18577 1 476 . 1 1 46 46 LYS HB2 H 1 1.851 0.05 . 2 . . . . 46 LYS HB1 . 18577 1 477 . 1 1 46 46 LYS HB3 H 1 1.851 0.05 . 2 . . . . 46 LYS HB2 . 18577 1 478 . 1 1 46 46 LYS HG2 H 1 1.450 0.05 . 2 . . . . 46 LYS HG1 . 18577 1 479 . 1 1 46 46 LYS HG3 H 1 1.450 0.05 . 2 . . . . 46 LYS HG2 . 18577 1 480 . 1 1 46 46 LYS HD2 H 1 1.700 0.05 . 2 . . . . 46 LYS HD1 . 18577 1 481 . 1 1 46 46 LYS HD3 H 1 1.700 0.05 . 2 . . . . 46 LYS HD2 . 18577 1 482 . 1 1 46 46 LYS HE2 H 1 2.980 0.05 . 2 . . . . 46 LYS HE1 . 18577 1 483 . 1 1 46 46 LYS HE3 H 1 2.980 0.05 . 2 . . . . 46 LYS HE2 . 18577 1 484 . 1 1 46 46 LYS C C 13 176.820 0.3 . 1 . . . . 46 LYS C . 18577 1 485 . 1 1 46 46 LYS CA C 13 55.010 0.3 . 1 . . . . 46 LYS CA . 18577 1 486 . 1 1 46 46 LYS CB C 13 30.989 0.3 . 1 . . . . 46 LYS CB . 18577 1 487 . 1 1 46 46 LYS CG C 13 23.085 0.3 . 1 . . . . 46 LYS CG . 18577 1 488 . 1 1 46 46 LYS CD C 13 27.400 0.3 . 1 . . . . 46 LYS CD . 18577 1 489 . 1 1 46 46 LYS CE C 13 40.429 0.3 . 1 . . . . 46 LYS CE . 18577 1 490 . 1 1 46 46 LYS N N 15 121.149 0.3 . 1 . . . . 46 LYS N . 18577 1 491 . 1 1 47 47 ILE H H 1 7.901 0.05 . 1 . . . . 47 ILE HN . 18577 1 492 . 1 1 47 47 ILE HA H 1 4.133 0.05 . 1 . . . . 47 ILE HA . 18577 1 493 . 1 1 47 47 ILE HB H 1 1.815 0.05 . 1 . . . . 47 ILE HB . 18577 1 494 . 1 1 47 47 ILE HG12 H 1 1.068 0.05 . 1 . . . . 47 ILE HG11 . 18577 1 495 . 1 1 47 47 ILE HG13 H 1 1.137 0.05 . 1 . . . . 47 ILE HG12 . 18577 1 496 . 1 1 47 47 ILE HG21 H 1 0.950 0.05 . 1 . . . . 47 ILE HG21 . 18577 1 497 . 1 1 47 47 ILE HG22 H 1 0.950 0.05 . 1 . . . . 47 ILE HG21 . 18577 1 498 . 1 1 47 47 ILE HG23 H 1 0.950 0.05 . 1 . . . . 47 ILE HG21 . 18577 1 499 . 1 1 47 47 ILE HD11 H 1 0.883 0.05 . 1 . . . . 47 ILE HD11 . 18577 1 500 . 1 1 47 47 ILE HD12 H 1 0.883 0.05 . 1 . . . . 47 ILE HD11 . 18577 1 501 . 1 1 47 47 ILE HD13 H 1 0.883 0.05 . 1 . . . . 47 ILE HD11 . 18577 1 502 . 1 1 47 47 ILE C C 13 175.890 0.3 . 1 . . . . 47 ILE C . 18577 1 503 . 1 1 47 47 ILE CA C 13 59.483 0.3 . 1 . . . . 47 ILE CA . 18577 1 504 . 1 1 47 47 ILE CB C 13 36.893 0.3 . 1 . . . . 47 ILE CB . 18577 1 505 . 1 1 47 47 ILE CG1 C 13 25.648 0.3 . 1 . . . . 47 ILE CG1 . 18577 1 506 . 1 1 47 47 ILE CG2 C 13 15.755 0.3 . 1 . . . . 47 ILE CG2 . 18577 1 507 . 1 1 47 47 ILE CD1 C 13 11.399 0.3 . 1 . . . . 47 ILE CD1 . 18577 1 508 . 1 1 47 47 ILE N N 15 122.662 0.3 . 1 . . . . 47 ILE N . 18577 1 509 . 1 1 48 48 ALA H H 1 8.204 0.05 . 1 . . . . 48 ALA HN . 18577 1 510 . 1 1 48 48 ALA HA H 1 4.303 0.05 . 1 . . . . 48 ALA HA . 18577 1 511 . 1 1 48 48 ALA HB1 H 1 1.236 0.05 . 1 . . . . 48 ALA HB1 . 18577 1 512 . 1 1 48 48 ALA HB2 H 1 1.236 0.05 . 1 . . . . 48 ALA HB1 . 18577 1 513 . 1 1 48 48 ALA HB3 H 1 1.236 0.05 . 1 . . . . 48 ALA HB1 . 18577 1 514 . 1 1 48 48 ALA C C 13 177.370 0.3 . 1 . . . . 48 ALA C . 18577 1 515 . 1 1 48 48 ALA CA C 13 50.753 0.3 . 1 . . . . 48 ALA CA . 18577 1 516 . 1 1 48 48 ALA CB C 13 17.518 0.3 . 1 . . . . 48 ALA CB . 18577 1 517 . 1 1 48 48 ALA N N 15 128.853 0.3 . 1 . . . . 48 ALA N . 18577 1 518 . 1 1 49 49 TYR H H 1 8.036 0.05 . 1 . . . . 49 TYR HN . 18577 1 519 . 1 1 49 49 TYR HA H 1 4.519 0.05 . 1 . . . . 49 TYR HA . 18577 1 520 . 1 1 49 49 TYR HB2 H 1 3.008 0.05 . 2 . . . . 49 TYR HB1 . 18577 1 521 . 1 1 49 49 TYR HB3 H 1 3.008 0.05 . 2 . . . . 49 TYR HB2 . 18577 1 522 . 1 1 49 49 TYR C C 13 175.850 0.3 . 1 . . . . 49 TYR C . 18577 1 523 . 1 1 49 49 TYR CA C 13 56.497 0.3 . 1 . . . . 49 TYR CA . 18577 1 524 . 1 1 49 49 TYR CB C 13 37.010 0.3 . 1 . . . . 49 TYR CB . 18577 1 525 . 1 1 49 49 TYR N N 15 121.353 0.3 . 1 . . . . 49 TYR N . 18577 1 526 . 1 1 50 50 LYS H H 1 8.097 0.05 . 1 . . . . 50 LYS HN . 18577 1 527 . 1 1 50 50 LYS HA H 1 4.246 0.05 . 1 . . . . 50 LYS HA . 18577 1 528 . 1 1 50 50 LYS HB2 H 1 1.747 0.05 . 2 . . . . 50 LYS HB1 . 18577 1 529 . 1 1 50 50 LYS HB3 H 1 1.747 0.05 . 2 . . . . 50 LYS HB2 . 18577 1 530 . 1 1 50 50 LYS HG2 H 1 1.395 0.05 . 2 . . . . 50 LYS HG1 . 18577 1 531 . 1 1 50 50 LYS HG3 H 1 1.395 0.05 . 2 . . . . 50 LYS HG2 . 18577 1 532 . 1 1 50 50 LYS HD2 H 1 1.680 0.05 . 2 . . . . 50 LYS HD1 . 18577 1 533 . 1 1 50 50 LYS HD3 H 1 1.680 0.05 . 2 . . . . 50 LYS HD2 . 18577 1 534 . 1 1 50 50 LYS HE2 H 1 3.110 0.05 . 2 . . . . 50 LYS HE1 . 18577 1 535 . 1 1 50 50 LYS HE3 H 1 3.110 0.05 . 2 . . . . 50 LYS HE2 . 18577 1 536 . 1 1 50 50 LYS C C 13 176.230 0.3 . 1 . . . . 50 LYS C . 18577 1 537 . 1 1 50 50 LYS CA C 13 54.599 0.3 . 1 . . . . 50 LYS CA . 18577 1 538 . 1 1 50 50 LYS CB C 13 31.405 0.3 . 1 . . . . 50 LYS CB . 18577 1 539 . 1 1 50 50 LYS CG C 13 23.026 0.3 . 1 . . . . 50 LYS CG . 18577 1 540 . 1 1 50 50 LYS CD C 13 27.555 0.3 . 1 . . . . 50 LYS CD . 18577 1 541 . 1 1 50 50 LYS CE C 13 40.429 0.3 . 1 . . . . 50 LYS CE . 18577 1 542 . 1 1 50 50 LYS N N 15 124.377 0.3 . 1 . . . . 50 LYS N . 18577 1 543 . 1 1 51 51 GLN H H 1 8.275 0.05 . 1 . . . . 51 GLN HN . 18577 1 544 . 1 1 51 51 GLN HA H 1 4.303 0.05 . 1 . . . . 51 GLN HA . 18577 1 545 . 1 1 51 51 GLN HB2 H 1 1.997 0.05 . 2 . . . . 51 GLN HB1 . 18577 1 546 . 1 1 51 51 GLN HB3 H 1 1.997 0.05 . 2 . . . . 51 GLN HB2 . 18577 1 547 . 1 1 51 51 GLN HG2 H 1 2.235 0.05 . 2 . . . . 51 GLN HG1 . 18577 1 548 . 1 1 51 51 GLN HG3 H 1 2.235 0.05 . 2 . . . . 51 GLN HG2 . 18577 1 549 . 1 1 51 51 GLN C C 13 175.730 0.3 . 1 . . . . 51 GLN C . 18577 1 550 . 1 1 51 51 GLN CA C 13 54.205 0.3 . 1 . . . . 51 GLN CA . 18577 1 551 . 1 1 51 51 GLN CB C 13 27.669 0.3 . 1 . . . . 51 GLN CB . 18577 1 552 . 1 1 51 51 GLN CG C 13 32.085 0.3 . 1 . . . . 51 GLN CG . 18577 1 553 . 1 1 51 51 GLN N N 15 122.734 0.3 . 1 . . . . 51 GLN N . 18577 1 554 . 1 1 52 52 ASN H H 1 8.433 0.05 . 1 . . . . 52 ASN HN . 18577 1 555 . 1 1 52 52 ASN HA H 1 4.780 0.05 . 1 . . . . 52 ASN HA . 18577 1 556 . 1 1 52 52 ASN HB2 H 1 2.815 0.05 . 2 . . . . 52 ASN HB1 . 18577 1 557 . 1 1 52 52 ASN HB3 H 1 2.815 0.05 . 2 . . . . 52 ASN HB2 . 18577 1 558 . 1 1 52 52 ASN C C 13 175.300 0.3 . 1 . . . . 52 ASN C . 18577 1 559 . 1 1 52 52 ASN CA C 13 51.675 0.3 . 1 . . . . 52 ASN CA . 18577 1 560 . 1 1 52 52 ASN CB C 13 37.229 0.3 . 1 . . . . 52 ASN CB . 18577 1 561 . 1 1 52 52 ASN N N 15 121.941 0.3 . 1 . . . . 52 ASN N . 18577 1 562 . 1 1 53 53 LYS H H 1 8.294 0.05 . 1 . . . . 53 LYS HN . 18577 1 563 . 1 1 53 53 LYS HA H 1 4.294 0.05 . 1 . . . . 53 LYS HA . 18577 1 564 . 1 1 53 53 LYS HB2 H 1 1.849 0.05 . 2 . . . . 53 LYS HB1 . 18577 1 565 . 1 1 53 53 LYS HB3 H 1 1.849 0.05 . 2 . . . . 53 LYS HB2 . 18577 1 566 . 1 1 53 53 LYS HG2 H 1 1.486 0.05 . 2 . . . . 53 LYS HG1 . 18577 1 567 . 1 1 53 53 LYS HG3 H 1 1.486 0.05 . 2 . . . . 53 LYS HG2 . 18577 1 568 . 1 1 53 53 LYS C C 13 176.330 0.3 . 1 . . . . 53 LYS C . 18577 1 569 . 1 1 53 53 LYS CA C 13 54.959 0.3 . 1 . . . . 53 LYS CA . 18577 1 570 . 1 1 53 53 LYS CB C 13 31.057 0.3 . 1 . . . . 53 LYS CB . 18577 1 571 . 1 1 53 53 LYS CG C 13 22.966 0.3 . 1 . . . . 53 LYS CG . 18577 1 572 . 1 1 53 53 LYS CD C 13 27.436 0.3 . 1 . . . . 53 LYS CD . 18577 1 573 . 1 1 53 53 LYS CE C 13 40.369 0.3 . 1 . . . . 53 LYS CE . 18577 1 574 . 1 1 53 53 LYS N N 15 123.663 0.3 . 1 . . . . 53 LYS N . 18577 1 575 . 1 1 54 54 ALA H H 1 8.242 0.05 . 1 . . . . 54 ALA HN . 18577 1 576 . 1 1 54 54 ALA HA H 1 4.281 0.05 . 1 . . . . 54 ALA HA . 18577 1 577 . 1 1 54 54 ALA HB1 H 1 1.315 0.05 . 1 . . . . 54 ALA HB1 . 18577 1 578 . 1 1 54 54 ALA HB2 H 1 1.315 0.05 . 1 . . . . 54 ALA HB1 . 18577 1 579 . 1 1 54 54 ALA HB3 H 1 1.315 0.05 . 1 . . . . 54 ALA HB1 . 18577 1 580 . 1 1 54 54 ALA C C 13 177.570 0.3 . 1 . . . . 54 ALA C . 18577 1 581 . 1 1 54 54 ALA CA C 13 51.118 0.3 . 1 . . . . 54 ALA CA . 18577 1 582 . 1 1 54 54 ALA CB C 13 17.516 0.3 . 1 . . . . 54 ALA CB . 18577 1 583 . 1 1 54 54 ALA N N 15 125.718 0.3 . 1 . . . . 54 ALA N . 18577 1 584 . 1 1 55 55 ASN H H 1 8.310 0.05 . 1 . . . . 55 ASN HN . 18577 1 585 . 1 1 55 55 ASN HA H 1 4.712 0.05 . 1 . . . . 55 ASN HA . 18577 1 586 . 1 1 55 55 ASN HB2 H 1 2.781 0.05 . 2 . . . . 55 ASN HB1 . 18577 1 587 . 1 1 55 55 ASN HB3 H 1 2.781 0.05 . 2 . . . . 55 ASN HB2 . 18577 1 588 . 1 1 55 55 ASN HD21 H 1 6.621 0.05 . 2 . . . . 55 ASN HD21 . 18577 1 589 . 1 1 55 55 ASN C C 13 175.290 0.3 . 1 . . . . 55 ASN C . 18577 1 590 . 1 1 55 55 ASN CA C 13 51.640 0.3 . 1 . . . . 55 ASN CA . 18577 1 591 . 1 1 55 55 ASN CB C 13 36.871 0.3 . 1 . . . . 55 ASN CB . 18577 1 592 . 1 1 55 55 ASN N N 15 119.434 0.3 . 1 . . . . 55 ASN N . 18577 1 593 . 1 1 56 56 ILE H H 1 7.953 0.05 . 1 . . . . 56 ILE HN . 18577 1 594 . 1 1 56 56 ILE HA H 1 4.156 0.05 . 1 . . . . 56 ILE HA . 18577 1 595 . 1 1 56 56 ILE HB H 1 1.951 0.05 . 1 . . . . 56 ILE HB . 18577 1 596 . 1 1 56 56 ILE HG12 H 1 0.952 0.05 . 1 . . . . 56 ILE HG11 . 18577 1 597 . 1 1 56 56 ILE HG13 H 1 0.952 0.05 . 1 . . . . 56 ILE HG12 . 18577 1 598 . 1 1 56 56 ILE HG21 H 1 0.793 0.05 . 1 . . . . 56 ILE HG21 . 18577 1 599 . 1 1 56 56 ILE HG22 H 1 0.793 0.05 . 1 . . . . 56 ILE HG21 . 18577 1 600 . 1 1 56 56 ILE HG23 H 1 0.793 0.05 . 1 . . . . 56 ILE HG21 . 18577 1 601 . 1 1 56 56 ILE HD11 H 1 0.834 0.05 . 1 . . . . 56 ILE HD11 . 18577 1 602 . 1 1 56 56 ILE HD12 H 1 0.834 0.05 . 1 . . . . 56 ILE HD11 . 18577 1 603 . 1 1 56 56 ILE HD13 H 1 0.834 0.05 . 1 . . . . 56 ILE HD11 . 18577 1 604 . 1 1 56 56 ILE C C 13 176.100 0.3 . 1 . . . . 56 ILE C . 18577 1 605 . 1 1 56 56 ILE CA C 13 59.778 0.3 . 1 . . . . 56 ILE CA . 18577 1 606 . 1 1 56 56 ILE CB C 13 36.914 0.3 . 1 . . . . 56 ILE CB . 18577 1 607 . 1 1 56 56 ILE CG1 C 13 25.410 0.3 . 1 . . . . 56 ILE CG1 . 18577 1 608 . 1 1 56 56 ILE CG2 C 13 15.874 0.3 . 1 . . . . 56 ILE CG2 . 18577 1 609 . 1 1 56 56 ILE CD1 C 13 11.464 0.3 . 1 . . . . 56 ILE CD1 . 18577 1 610 . 1 1 56 56 ILE N N 15 122.405 0.3 . 1 . . . . 56 ILE N . 18577 1 611 . 1 1 57 57 ALA H H 1 8.310 0.05 . 1 . . . . 57 ALA HN . 18577 1 612 . 1 1 57 57 ALA HA H 1 4.315 0.05 . 1 . . . . 57 ALA HA . 18577 1 613 . 1 1 57 57 ALA HB1 H 1 1.395 0.05 . 1 . . . . 57 ALA HB1 . 18577 1 614 . 1 1 57 57 ALA HB2 H 1 1.395 0.05 . 1 . . . . 57 ALA HB1 . 18577 1 615 . 1 1 57 57 ALA HB3 H 1 1.395 0.05 . 1 . . . . 57 ALA HB1 . 18577 1 616 . 1 1 57 57 ALA C C 13 177.940 0.3 . 1 . . . . 57 ALA C . 18577 1 617 . 1 1 57 57 ALA CA C 13 51.180 0.3 . 1 . . . . 57 ALA CA . 18577 1 618 . 1 1 57 57 ALA CB C 13 17.233 0.3 . 1 . . . . 57 ALA CB . 18577 1 619 . 1 1 57 57 ALA N N 15 128.741 0.3 . 1 . . . . 57 ALA N . 18577 1 620 . 1 1 58 58 GLN H H 1 8.241 0.05 . 1 . . . . 58 GLN HN . 18577 1 621 . 1 1 58 58 GLN HA H 1 4.258 0.05 . 1 . . . . 58 GLN HA . 18577 1 622 . 1 1 58 58 GLN HB2 H 1 2.042 0.05 . 2 . . . . 58 GLN HB1 . 18577 1 623 . 1 1 58 58 GLN HB3 H 1 2.042 0.05 . 2 . . . . 58 GLN HB2 . 18577 1 624 . 1 1 58 58 GLN HG2 H 1 2.383 0.05 . 2 . . . . 58 GLN HG1 . 18577 1 625 . 1 1 58 58 GLN HG3 H 1 2.383 0.05 . 2 . . . . 58 GLN HG2 . 18577 1 626 . 1 1 58 58 GLN C C 13 176.330 0.3 . 1 . . . . 58 GLN C . 18577 1 627 . 1 1 58 58 GLN CA C 13 54.565 0.3 . 1 . . . . 58 GLN CA . 18577 1 628 . 1 1 58 58 GLN CB C 13 27.676 0.3 . 1 . . . . 58 GLN CB . 18577 1 629 . 1 1 58 58 GLN CG C 13 32.085 0.3 . 1 . . . . 58 GLN CG . 18577 1 630 . 1 1 58 58 GLN N N 15 121.036 0.3 . 1 . . . . 58 GLN N . 18577 1 631 . 1 1 59 59 GLU H H 1 8.404 0.05 . 1 . . . . 59 GLU HN . 18577 1 632 . 1 1 59 59 GLU HA H 1 4.235 0.05 . 1 . . . . 59 GLU HA . 18577 1 633 . 1 1 59 59 GLU HB2 H 1 1.963 0.05 . 2 . . . . 59 GLU HB1 . 18577 1 634 . 1 1 59 59 GLU HB3 H 1 1.963 0.05 . 2 . . . . 59 GLU HB2 . 18577 1 635 . 1 1 59 59 GLU HG2 H 1 2.258 0.05 . 2 . . . . 59 GLU HG1 . 18577 1 636 . 1 1 59 59 GLU HG3 H 1 2.258 0.05 . 2 . . . . 59 GLU HG2 . 18577 1 637 . 1 1 59 59 GLU C C 13 176.740 0.3 . 1 . . . . 59 GLU C . 18577 1 638 . 1 1 59 59 GLU CA C 13 55.071 0.3 . 1 . . . . 59 GLU CA . 18577 1 639 . 1 1 59 59 GLU CB C 13 28.552 0.3 . 1 . . . . 59 GLU CB . 18577 1 640 . 1 1 59 59 GLU CG C 13 34.469 0.3 . 1 . . . . 59 GLU CG . 18577 1 641 . 1 1 59 59 GLU N N 15 123.093 0.3 . 1 . . . . 59 GLU N . 18577 1 642 . 1 1 60 60 GLN H H 1 8.327 0.05 . 1 . . . . 60 GLN HN . 18577 1 643 . 1 1 60 60 GLN HA H 1 4.258 0.05 . 1 . . . . 60 GLN HA . 18577 1 644 . 1 1 60 60 GLN HB2 H 1 2.008 0.05 . 2 . . . . 60 GLN HB1 . 18577 1 645 . 1 1 60 60 GLN HB3 H 1 2.008 0.05 . 2 . . . . 60 GLN HB2 . 18577 1 646 . 1 1 60 60 GLN HG2 H 1 2.340 0.05 . 2 . . . . 60 GLN HG1 . 18577 1 647 . 1 1 60 60 GLN HG3 H 1 2.340 0.05 . 2 . . . . 60 GLN HG2 . 18577 1 648 . 1 1 60 60 GLN C C 13 175.790 0.3 . 1 . . . . 60 GLN C . 18577 1 649 . 1 1 60 60 GLN CA C 13 54.208 0.3 . 1 . . . . 60 GLN CA . 18577 1 650 . 1 1 60 60 GLN CB C 13 27.629 0.3 . 1 . . . . 60 GLN CB . 18577 1 651 . 1 1 60 60 GLN CG C 13 32.141 0.3 . 1 . . . . 60 GLN CG . 18577 1 652 . 1 1 60 60 GLN N N 15 122.312 0.3 . 1 . . . . 60 GLN N . 18577 1 653 . 1 1 61 61 GLN H H 1 8.267 0.05 . 1 . . . . 61 GLN HN . 18577 1 654 . 1 1 61 61 GLN HA H 1 4.281 0.05 . 1 . . . . 61 GLN HA . 18577 1 655 . 1 1 61 61 GLN HB2 H 1 2.190 0.05 . 2 . . . . 61 GLN HB1 . 18577 1 656 . 1 1 61 61 GLN HB3 H 1 2.190 0.05 . 2 . . . . 61 GLN HB2 . 18577 1 657 . 1 1 61 61 GLN HG2 H 1 2.340 0.05 . 2 . . . . 61 GLN HG1 . 18577 1 658 . 1 1 61 61 GLN HG3 H 1 2.340 0.05 . 2 . . . . 61 GLN HG2 . 18577 1 659 . 1 1 61 61 GLN C C 13 175.790 0.3 . 1 . . . . 61 GLN C . 18577 1 660 . 1 1 61 61 GLN CA C 13 54.192 0.3 . 1 . . . . 61 GLN CA . 18577 1 661 . 1 1 61 61 GLN CB C 13 27.629 0.3 . 1 . . . . 61 GLN CB . 18577 1 662 . 1 1 61 61 GLN CG C 13 32.085 0.3 . 1 . . . . 61 GLN CG . 18577 1 663 . 1 1 61 61 GLN N N 15 122.574 0.3 . 1 . . . . 61 GLN N . 18577 1 664 . 1 1 62 62 TYR H H 1 8.245 0.05 . 1 . . . . 62 TYR HN . 18577 1 665 . 1 1 62 62 TYR HA H 1 4.587 0.05 . 1 . . . . 62 TYR HA . 18577 1 666 . 1 1 62 62 TYR HB2 H 1 2.904 0.05 . 2 . . . . 62 TYR HB1 . 18577 1 667 . 1 1 62 62 TYR HB3 H 1 3.042 0.05 . 2 . . . . 62 TYR HB2 . 18577 1 668 . 1 1 62 62 TYR C C 13 176.400 0.3 . 1 . . . . 62 TYR C . 18577 1 669 . 1 1 62 62 TYR CA C 13 56.097 0.3 . 1 . . . . 62 TYR CA . 18577 1 670 . 1 1 62 62 TYR CB C 13 37.049 0.3 . 1 . . . . 62 TYR CB . 18577 1 671 . 1 1 62 62 TYR N N 15 122.524 0.3 . 1 . . . . 62 TYR N . 18577 1 672 . 1 1 63 63 GLY H H 1 8.343 0.05 . 1 . . . . 63 GLY HN . 18577 1 673 . 1 1 63 63 GLY HA2 H 1 3.944 0.05 . 2 . . . . 63 GLY HA1 . 18577 1 674 . 1 1 63 63 GLY HA3 H 1 3.944 0.05 . 2 . . . . 63 GLY HA2 . 18577 1 675 . 1 1 63 63 GLY C C 13 174.020 0.3 . 1 . . . . 63 GLY C . 18577 1 676 . 1 1 63 63 GLY CA C 13 43.528 0.3 . 1 . . . . 63 GLY CA . 18577 1 677 . 1 1 63 63 GLY N N 15 112.042 0.3 . 1 . . . . 63 GLY N . 18577 1 678 . 1 1 64 64 SER H H 1 8.197 0.05 . 1 . . . . 64 SER HN . 18577 1 679 . 1 1 64 64 SER HA H 1 4.394 0.05 . 1 . . . . 64 SER HA . 18577 1 680 . 1 1 64 64 SER HB2 H 1 3.849 0.05 . 2 . . . . 64 SER HB1 . 18577 1 681 . 1 1 64 64 SER HB3 H 1 3.849 0.05 . 2 . . . . 64 SER HB2 . 18577 1 682 . 1 1 64 64 SER C C 13 174.580 0.3 . 1 . . . . 64 SER C . 18577 1 683 . 1 1 64 64 SER CA C 13 56.550 0.3 . 1 . . . . 64 SER CA . 18577 1 684 . 1 1 64 64 SER CB C 13 61.977 0.3 . 1 . . . . 64 SER CB . 18577 1 685 . 1 1 64 64 SER N N 15 117.110 0.3 . 1 . . . . 64 SER N . 18577 1 686 . 1 1 65 65 HIS H H 1 8.609 0.05 . 1 . . . . 65 HIS HN . 18577 1 687 . 1 1 65 65 HIS HA H 1 4.769 0.05 . 1 . . . . 65 HIS HA . 18577 1 688 . 1 1 65 65 HIS HB2 H 1 3.201 0.05 . 2 . . . . 65 HIS HB1 . 18577 1 689 . 1 1 65 65 HIS HB3 H 1 3.201 0.05 . 2 . . . . 65 HIS HB2 . 18577 1 690 . 1 1 65 65 HIS C C 13 174.290 0.3 . 1 . . . . 65 HIS C . 18577 1 691 . 1 1 65 65 HIS CA C 13 53.715 0.3 . 1 . . . . 65 HIS CA . 18577 1 692 . 1 1 65 65 HIS CB C 13 27.408 0.3 . 1 . . . . 65 HIS CB . 18577 1 693 . 1 1 65 65 HIS N N 15 122.188 0.3 . 1 . . . . 65 HIS N . 18577 1 694 . 1 1 66 66 GLU H H 1 8.386 0.05 . 1 . . . . 66 GLU HN . 18577 1 695 . 1 1 66 66 GLU HA H 1 4.292 0.05 . 1 . . . . 66 GLU HA . 18577 1 696 . 1 1 66 66 GLU HB2 H 1 1.960 0.05 . 2 . . . . 66 GLU HB1 . 18577 1 697 . 1 1 66 66 GLU HB3 H 1 2.028 0.05 . 2 . . . . 66 GLU HB2 . 18577 1 698 . 1 1 66 66 GLU HG2 H 1 2.254 0.05 . 2 . . . . 66 GLU HG1 . 18577 1 699 . 1 1 66 66 GLU HG3 H 1 2.254 0.05 . 2 . . . . 66 GLU HG2 . 18577 1 700 . 1 1 66 66 GLU C C 13 176.000 0.3 . 1 . . . . 66 GLU C . 18577 1 701 . 1 1 66 66 GLU CA C 13 54.660 0.3 . 1 . . . . 66 GLU CA . 18577 1 702 . 1 1 66 66 GLU CB C 13 28.715 0.3 . 1 . . . . 66 GLU CB . 18577 1 703 . 1 1 66 66 GLU CG C 13 34.350 0.3 . 1 . . . . 66 GLU CG . 18577 1 704 . 1 1 66 66 GLU N N 15 123.470 0.3 . 1 . . . . 66 GLU N . 18577 1 705 . 1 1 67 67 GLU H H 1 8.481 0.05 . 1 . . . . 67 GLU HN . 18577 1 706 . 1 1 67 67 GLU HA H 1 4.292 0.05 . 1 . . . . 67 GLU HA . 18577 1 707 . 1 1 67 67 GLU HB2 H 1 1.950 0.05 . 2 . . . . 67 GLU HB1 . 18577 1 708 . 1 1 67 67 GLU HB3 H 1 2.028 0.05 . 2 . . . . 67 GLU HB2 . 18577 1 709 . 1 1 67 67 GLU HG2 H 1 2.258 0.05 . 2 . . . . 67 GLU HG1 . 18577 1 710 . 1 1 67 67 GLU HG3 H 1 2.258 0.05 . 2 . . . . 67 GLU HG2 . 18577 1 711 . 1 1 67 67 GLU C C 13 175.900 0.3 . 1 . . . . 67 GLU C . 18577 1 712 . 1 1 67 67 GLU CA C 13 54.599 0.3 . 1 . . . . 67 GLU CA . 18577 1 713 . 1 1 67 67 GLU CB C 13 28.732 0.3 . 1 . . . . 67 GLU CB . 18577 1 714 . 1 1 67 67 GLU CG C 13 34.600 0.3 . 1 . . . . 67 GLU CG . 18577 1 715 . 1 1 67 67 GLU N N 15 124.031 0.3 . 1 . . . . 67 GLU N . 18577 1 716 . 1 1 70 70 PRO HA H 1 4.371 0.05 . 1 . . . . 70 PRO HA . 18577 1 717 . 1 1 70 70 PRO HB2 H 1 1.831 0.05 . 2 . . . . 70 PRO HB1 . 18577 1 718 . 1 1 70 70 PRO HB3 H 1 1.831 0.05 . 2 . . . . 70 PRO HB2 . 18577 1 719 . 1 1 70 70 PRO HD2 H 1 3.220 0.05 . 2 . . . . 70 PRO HD1 . 18577 1 720 . 1 1 70 70 PRO HD3 H 1 3.290 0.05 . 2 . . . . 70 PRO HD2 . 18577 1 721 . 1 1 70 70 PRO CA C 13 61.723 0.3 . 1 . . . . 70 PRO CA . 18577 1 722 . 1 1 70 70 PRO CB C 13 30.600 0.3 . 1 . . . . 70 PRO CB . 18577 1 723 . 1 1 70 70 PRO CD C 13 48.446 0.3 . 1 . . . . 70 PRO CD . 18577 1 724 . 1 1 75 75 THR HA H 1 4.123 0.05 . 1 . . . . 75 THR HA . 18577 1 725 . 1 1 75 75 THR HB H 1 3.863 0.05 . 1 . . . . 75 THR HB . 18577 1 726 . 1 1 75 75 THR CA C 13 62.205 0.3 . 1 . . . . 75 THR CA . 18577 1 727 . 1 1 75 75 THR CB C 13 67.433 0.3 . 1 . . . . 75 THR CB . 18577 1 728 . 1 1 82 82 MET HE1 H 1 2.074 0.05 . 1 . . . . 82 MET HE1 . 18577 1 729 . 1 1 82 82 MET HE2 H 1 2.074 0.05 . 1 . . . . 82 MET HE1 . 18577 1 730 . 1 1 82 82 MET HE3 H 1 2.074 0.05 . 1 . . . . 82 MET HE1 . 18577 1 731 . 1 1 82 82 MET CE C 13 15.400 0.3 . 1 . . . . 82 MET CE . 18577 1 732 . 1 1 99 99 ASN HA H 1 4.946 0.05 . 1 . . . . 99 ASN HA . 18577 1 733 . 1 1 99 99 ASN HB2 H 1 2.659 0.05 . 2 . . . . 99 ASN HB1 . 18577 1 734 . 1 1 99 99 ASN HB3 H 1 2.790 0.05 . 2 . . . . 99 ASN HB2 . 18577 1 735 . 1 1 99 99 ASN CA C 13 49.513 0.3 . 1 . . . . 99 ASN CA . 18577 1 736 . 1 1 99 99 ASN CB C 13 37.400 0.3 . 1 . . . . 99 ASN CB . 18577 1 737 . 1 1 100 100 PRO HA H 1 4.383 0.05 . 1 . . . . 100 PRO HA . 18577 1 738 . 1 1 100 100 PRO HB2 H 1 2.195 0.05 . 2 . . . . 100 PRO HB1 . 18577 1 739 . 1 1 100 100 PRO HB3 H 1 2.195 0.05 . 2 . . . . 100 PRO HB2 . 18577 1 740 . 1 1 100 100 PRO HG2 H 1 1.973 0.05 . 2 . . . . 100 PRO HG1 . 18577 1 741 . 1 1 100 100 PRO HG3 H 1 1.973 0.05 . 2 . . . . 100 PRO HG2 . 18577 1 742 . 1 1 100 100 PRO HD2 H 1 3.680 0.05 . 2 . . . . 100 PRO HD1 . 18577 1 743 . 1 1 100 100 PRO HD3 H 1 3.680 0.05 . 2 . . . . 100 PRO HD2 . 18577 1 744 . 1 1 100 100 PRO C C 13 176.830 0.3 . 1 . . . . 100 PRO C . 18577 1 745 . 1 1 100 100 PRO CA C 13 61.808 0.3 . 1 . . . . 100 PRO CA . 18577 1 746 . 1 1 100 100 PRO CB C 13 30.198 0.3 . 1 . . . . 100 PRO CB . 18577 1 747 . 1 1 100 100 PRO CG C 13 25.350 0.3 . 1 . . . . 100 PRO CG . 18577 1 748 . 1 1 100 100 PRO CD C 13 49.011 0.3 . 1 . . . . 100 PRO CD . 18577 1 749 . 1 1 101 101 HIS H H 1 8.427 0.05 . 1 . . . . 101 HIS HN . 18577 1 750 . 1 1 101 101 HIS HA H 1 4.769 0.05 . 1 . . . . 101 HIS HA . 18577 1 751 . 1 1 101 101 HIS HB2 H 1 3.167 0.05 . 2 . . . . 101 HIS HB1 . 18577 1 752 . 1 1 101 101 HIS HB3 H 1 3.335 0.05 . 2 . . . . 101 HIS HB2 . 18577 1 753 . 1 1 101 101 HIS C C 13 174.790 0.3 . 1 . . . . 101 HIS C . 18577 1 754 . 1 1 101 101 HIS CA C 13 53.236 0.3 . 1 . . . . 101 HIS CA . 18577 1 755 . 1 1 101 101 HIS CB C 13 27.620 0.3 . 1 . . . . 101 HIS CB . 18577 1 756 . 1 1 101 101 HIS N N 15 119.382 0.3 . 1 . . . . 101 HIS N . 18577 1 757 . 1 1 102 102 GLY H H 1 8.156 0.05 . 1 . . . . 102 GLY HN . 18577 1 758 . 1 1 102 102 GLY HA2 H 1 4.127 0.05 . 2 . . . . 102 GLY HA1 . 18577 1 759 . 1 1 102 102 GLY HA3 H 1 4.127 0.05 . 2 . . . . 102 GLY HA2 . 18577 1 760 . 1 1 102 102 GLY C C 13 179.090 0.3 . 1 . . . . 102 GLY C . 18577 1 761 . 1 1 102 102 GLY CA C 13 43.032 0.3 . 1 . . . . 102 GLY CA . 18577 1 762 . 1 1 102 102 GLY N N 15 111.325 0.3 . 1 . . . . 102 GLY N . 18577 1 763 . 1 1 103 103 PRO HA H 1 4.485 0.05 . 1 . . . . 103 PRO HA . 18577 1 764 . 1 1 103 103 PRO HB2 H 1 2.300 0.05 . 2 . . . . 103 PRO HB1 . 18577 1 765 . 1 1 103 103 PRO HB3 H 1 2.300 0.05 . 2 . . . . 103 PRO HB2 . 18577 1 766 . 1 1 103 103 PRO HG2 H 1 2.016 0.05 . 2 . . . . 103 PRO HG1 . 18577 1 767 . 1 1 103 103 PRO HG3 H 1 2.016 0.05 . 2 . . . . 103 PRO HG2 . 18577 1 768 . 1 1 103 103 PRO HD2 H 1 3.648 0.05 . 2 . . . . 103 PRO HD1 . 18577 1 769 . 1 1 103 103 PRO HD3 H 1 3.648 0.05 . 2 . . . . 103 PRO HD2 . 18577 1 770 . 1 1 103 103 PRO C C 13 177.270 0.3 . 1 . . . . 103 PRO C . 18577 1 771 . 1 1 103 103 PRO CA C 13 61.472 0.3 . 1 . . . . 103 PRO CA . 18577 1 772 . 1 1 103 103 PRO CB C 13 30.481 0.3 . 1 . . . . 103 PRO CB . 18577 1 773 . 1 1 103 103 PRO CG C 13 25.469 0.3 . 1 . . . . 103 PRO CG . 18577 1 774 . 1 1 103 103 PRO CD C 13 48.177 0.3 . 1 . . . . 103 PRO CD . 18577 1 775 . 1 1 104 104 ARG H H 1 8.486 0.05 . 1 . . . . 104 ARG HN . 18577 1 776 . 1 1 104 104 ARG HA H 1 4.312 0.05 . 1 . . . . 104 ARG HA . 18577 1 777 . 1 1 104 104 ARG HB2 H 1 1.854 0.05 . 2 . . . . 104 ARG HB1 . 18577 1 778 . 1 1 104 104 ARG HB3 H 1 1.854 0.05 . 2 . . . . 104 ARG HB2 . 18577 1 779 . 1 1 104 104 ARG HG2 H 1 1.671 0.05 . 2 . . . . 104 ARG HG1 . 18577 1 780 . 1 1 104 104 ARG HG3 H 1 1.671 0.05 . 2 . . . . 104 ARG HG2 . 18577 1 781 . 1 1 104 104 ARG HD2 H 1 3.230 0.05 . 2 . . . . 104 ARG HD1 . 18577 1 782 . 1 1 104 104 ARG HD3 H 1 3.230 0.05 . 2 . . . . 104 ARG HD2 . 18577 1 783 . 1 1 104 104 ARG C C 13 176.440 0.3 . 1 . . . . 104 ARG C . 18577 1 784 . 1 1 104 104 ARG CA C 13 54.556 0.3 . 1 . . . . 104 ARG CA . 18577 1 785 . 1 1 104 104 ARG CB C 13 29.029 0.3 . 1 . . . . 104 ARG CB . 18577 1 786 . 1 1 104 104 ARG CG C 13 25.410 0.3 . 1 . . . . 104 ARG CG . 18577 1 787 . 1 1 104 104 ARG CD C 13 41.740 0.3 . 1 . . . . 104 ARG CD . 18577 1 788 . 1 1 104 104 ARG N N 15 122.724 0.3 . 1 . . . . 104 ARG N . 18577 1 789 . 1 1 105 105 GLU H H 1 8.330 0.05 . 1 . . . . 105 GLU HN . 18577 1 790 . 1 1 105 105 GLU HA H 1 4.264 0.05 . 1 . . . . 105 GLU HA . 18577 1 791 . 1 1 105 105 GLU HB2 H 1 1.984 0.05 . 2 . . . . 105 GLU HB1 . 18577 1 792 . 1 1 105 105 GLU HB3 H 1 1.984 0.05 . 2 . . . . 105 GLU HB2 . 18577 1 793 . 1 1 105 105 GLU HG2 H 1 2.258 0.05 . 2 . . . . 105 GLU HG1 . 18577 1 794 . 1 1 105 105 GLU HG3 H 1 2.258 0.05 . 2 . . . . 105 GLU HG2 . 18577 1 795 . 1 1 105 105 GLU C C 13 176.330 0.3 . 1 . . . . 105 GLU C . 18577 1 796 . 1 1 105 105 GLU CA C 13 54.637 0.3 . 1 . . . . 105 GLU CA . 18577 1 797 . 1 1 105 105 GLU CB C 13 28.680 0.3 . 1 . . . . 105 GLU CB . 18577 1 798 . 1 1 105 105 GLU CG C 13 34.469 0.3 . 1 . . . . 105 GLU CG . 18577 1 799 . 1 1 105 105 GLU N N 15 123.536 0.3 . 1 . . . . 105 GLU N . 18577 1 800 . 1 1 106 106 LYS H H 1 8.399 0.05 . 1 . . . . 106 LYS HN . 18577 1 801 . 1 1 106 106 LYS HA H 1 4.315 0.05 . 1 . . . . 106 LYS HA . 18577 1 802 . 1 1 106 106 LYS HB2 H 1 1.826 0.05 . 2 . . . . 106 LYS HB1 . 18577 1 803 . 1 1 106 106 LYS HB3 H 1 1.826 0.05 . 2 . . . . 106 LYS HB2 . 18577 1 804 . 1 1 106 106 LYS HG2 H 1 1.438 0.05 . 2 . . . . 106 LYS HG1 . 18577 1 805 . 1 1 106 106 LYS HG3 H 1 1.438 0.05 . 2 . . . . 106 LYS HG2 . 18577 1 806 . 1 1 106 106 LYS HD2 H 1 1.714 0.05 . 2 . . . . 106 LYS HD1 . 18577 1 807 . 1 1 106 106 LYS HD3 H 1 1.714 0.05 . 2 . . . . 106 LYS HD2 . 18577 1 808 . 1 1 106 106 LYS HE2 H 1 3.016 0.05 . 2 . . . . 106 LYS HE1 . 18577 1 809 . 1 1 106 106 LYS HE3 H 1 3.016 0.05 . 2 . . . . 106 LYS HE2 . 18577 1 810 . 1 1 106 106 LYS C C 13 176.440 0.3 . 1 . . . . 106 LYS C . 18577 1 811 . 1 1 106 106 LYS CA C 13 54.604 0.3 . 1 . . . . 106 LYS CA . 18577 1 812 . 1 1 106 106 LYS CB C 13 31.320 0.3 . 1 . . . . 106 LYS CB . 18577 1 813 . 1 1 106 106 LYS CG C 13 23.085 0.3 . 1 . . . . 106 LYS CG . 18577 1 814 . 1 1 106 106 LYS CD C 13 27.317 0.3 . 1 . . . . 106 LYS CD . 18577 1 815 . 1 1 106 106 LYS CE C 13 40.489 0.3 . 1 . . . . 106 LYS CE . 18577 1 816 . 1 1 106 106 LYS N N 15 124.951 0.3 . 1 . . . . 106 LYS N . 18577 1 817 . 1 1 107 107 LYS H H 1 8.302 0.05 . 1 . . . . 107 LYS HN . 18577 1 818 . 1 1 107 107 LYS HA H 1 4.296 0.05 . 1 . . . . 107 LYS HA . 18577 1 819 . 1 1 107 107 LYS HB2 H 1 1.798 0.05 . 2 . . . . 107 LYS HB1 . 18577 1 820 . 1 1 107 107 LYS HB3 H 1 1.798 0.05 . 2 . . . . 107 LYS HB2 . 18577 1 821 . 1 1 107 107 LYS HG2 H 1 1.406 0.05 . 2 . . . . 107 LYS HG1 . 18577 1 822 . 1 1 107 107 LYS HG3 H 1 1.406 0.05 . 2 . . . . 107 LYS HG2 . 18577 1 823 . 1 1 107 107 LYS HD2 H 1 1.714 0.05 . 2 . . . . 107 LYS HD1 . 18577 1 824 . 1 1 107 107 LYS HD3 H 1 1.714 0.05 . 2 . . . . 107 LYS HD2 . 18577 1 825 . 1 1 107 107 LYS HE2 H 1 3.016 0.05 . 2 . . . . 107 LYS HE1 . 18577 1 826 . 1 1 107 107 LYS HE3 H 1 3.016 0.05 . 2 . . . . 107 LYS HE2 . 18577 1 827 . 1 1 107 107 LYS C C 13 176.160 0.3 . 1 . . . . 107 LYS C . 18577 1 828 . 1 1 107 107 LYS CA C 13 54.276 0.3 . 1 . . . . 107 LYS CA . 18577 1 829 . 1 1 107 107 LYS CB C 13 31.479 0.3 . 1 . . . . 107 LYS CB . 18577 1 830 . 1 1 107 107 LYS CG C 13 23.085 0.3 . 1 . . . . 107 LYS CG . 18577 1 831 . 1 1 107 107 LYS CD C 13 27.317 0.3 . 1 . . . . 107 LYS CD . 18577 1 832 . 1 1 107 107 LYS CE C 13 40.489 0.3 . 1 . . . . 107 LYS CE . 18577 1 833 . 1 1 107 107 LYS N N 15 124.614 0.3 . 1 . . . . 107 LYS N . 18577 1 834 . 1 1 108 108 ALA H H 1 8.309 0.05 . 1 . . . . 108 ALA HN . 18577 1 835 . 1 1 108 108 ALA HA H 1 4.302 0.05 . 1 . . . . 108 ALA HA . 18577 1 836 . 1 1 108 108 ALA HB1 H 1 1.363 0.05 . 1 . . . . 108 ALA HB1 . 18577 1 837 . 1 1 108 108 ALA HB2 H 1 1.363 0.05 . 1 . . . . 108 ALA HB1 . 18577 1 838 . 1 1 108 108 ALA HB3 H 1 1.363 0.05 . 1 . . . . 108 ALA HB1 . 18577 1 839 . 1 1 108 108 ALA C C 13 177.570 0.3 . 1 . . . . 108 ALA C . 18577 1 840 . 1 1 108 108 ALA CA C 13 50.657 0.3 . 1 . . . . 108 ALA CA . 18577 1 841 . 1 1 108 108 ALA CB C 13 17.600 0.3 . 1 . . . . 108 ALA CB . 18577 1 842 . 1 1 108 108 ALA N N 15 127.393 0.3 . 1 . . . . 108 ALA N . 18577 1 843 . 1 1 109 109 LYS H H 1 8.355 0.05 . 1 . . . . 109 LYS HN . 18577 1 844 . 1 1 109 109 LYS HA H 1 4.328 0.05 . 1 . . . . 109 LYS HA . 18577 1 845 . 1 1 109 109 LYS HB2 H 1 1.769 0.05 . 2 . . . . 109 LYS HB1 . 18577 1 846 . 1 1 109 109 LYS HB3 H 1 1.769 0.05 . 2 . . . . 109 LYS HB2 . 18577 1 847 . 1 1 109 109 LYS HG2 H 1 1.395 0.05 . 2 . . . . 109 LYS HG1 . 18577 1 848 . 1 1 109 109 LYS HG3 H 1 1.395 0.05 . 2 . . . . 109 LYS HG2 . 18577 1 849 . 1 1 109 109 LYS HD2 H 1 1.719 0.05 . 2 . . . . 109 LYS HD1 . 18577 1 850 . 1 1 109 109 LYS HD3 H 1 1.719 0.05 . 2 . . . . 109 LYS HD2 . 18577 1 851 . 1 1 109 109 LYS HE2 H 1 3.016 0.05 . 2 . . . . 109 LYS HE1 . 18577 1 852 . 1 1 109 109 LYS HE3 H 1 3.016 0.05 . 2 . . . . 109 LYS HE2 . 18577 1 853 . 1 1 109 109 LYS C C 13 176.680 0.3 . 1 . . . . 109 LYS C . 18577 1 854 . 1 1 109 109 LYS CA C 13 54.559 0.3 . 1 . . . . 109 LYS CA . 18577 1 855 . 1 1 109 109 LYS CB C 13 31.351 0.3 . 1 . . . . 109 LYS CB . 18577 1 856 . 1 1 109 109 LYS CG C 13 23.026 0.3 . 1 . . . . 109 LYS CG . 18577 1 857 . 1 1 109 109 LYS CD C 13 27.377 0.3 . 1 . . . . 109 LYS CD . 18577 1 858 . 1 1 109 109 LYS CE C 13 40.429 0.3 . 1 . . . . 109 LYS CE . 18577 1 859 . 1 1 109 109 LYS N N 15 123.166 0.3 . 1 . . . . 109 LYS N . 18577 1 860 . 1 1 110 110 VAL H H 1 8.211 0.05 . 1 . . . . 110 VAL HN . 18577 1 861 . 1 1 110 110 VAL HA H 1 4.123 0.05 . 1 . . . . 110 VAL HA . 18577 1 862 . 1 1 110 110 VAL HB H 1 2.069 0.05 . 1 . . . . 110 VAL HB . 18577 1 863 . 1 1 110 110 VAL HG11 H 1 0.887 0.05 . 2 . . . . 110 VAL HG11 . 18577 1 864 . 1 1 110 110 VAL HG12 H 1 0.887 0.05 . 2 . . . . 110 VAL HG11 . 18577 1 865 . 1 1 110 110 VAL HG13 H 1 0.887 0.05 . 2 . . . . 110 VAL HG11 . 18577 1 866 . 1 1 110 110 VAL HG21 H 1 0.945 0.05 . 2 . . . . 110 VAL HG21 . 18577 1 867 . 1 1 110 110 VAL HG22 H 1 0.945 0.05 . 2 . . . . 110 VAL HG21 . 18577 1 868 . 1 1 110 110 VAL HG23 H 1 0.945 0.05 . 2 . . . . 110 VAL HG21 . 18577 1 869 . 1 1 110 110 VAL C C 13 176.630 0.3 . 1 . . . . 110 VAL C . 18577 1 870 . 1 1 110 110 VAL CA C 13 60.806 0.3 . 1 . . . . 110 VAL CA . 18577 1 871 . 1 1 110 110 VAL CB C 13 31.033 0.3 . 1 . . . . 110 VAL CB . 18577 1 872 . 1 1 110 110 VAL CG1 C 13 19.033 0.3 . 1 . . . . 110 VAL CG1 . 18577 1 873 . 1 1 110 110 VAL CG2 C 13 19.508 0.3 . 1 . . . . 110 VAL CG2 . 18577 1 874 . 1 1 110 110 VAL N N 15 123.770 0.3 . 1 . . . . 110 VAL N . 18577 1 875 . 1 1 111 111 GLY H H 1 8.532 0.05 . 1 . . . . 111 GLY HN . 18577 1 876 . 1 1 111 111 GLY HA2 H 1 4.014 0.05 . 2 . . . . 111 GLY HA1 . 18577 1 877 . 1 1 111 111 GLY HA3 H 1 4.014 0.05 . 2 . . . . 111 GLY HA2 . 18577 1 878 . 1 1 111 111 GLY C C 13 174.170 0.3 . 1 . . . . 111 GLY C . 18577 1 879 . 1 1 111 111 GLY CA C 13 43.522 0.3 . 1 . . . . 111 GLY CA . 18577 1 880 . 1 1 111 111 GLY N N 15 114.652 0.3 . 1 . . . . 111 GLY N . 18577 1 881 . 1 1 112 112 SER H H 1 8.228 0.05 . 1 . . . . 112 SER HN . 18577 1 882 . 1 1 112 112 SER HA H 1 4.440 0.05 . 1 . . . . 112 SER HA . 18577 1 883 . 1 1 112 112 SER HB2 H 1 3.894 0.05 . 2 . . . . 112 SER HB1 . 18577 1 884 . 1 1 112 112 SER HB3 H 1 3.894 0.05 . 2 . . . . 112 SER HB2 . 18577 1 885 . 1 1 112 112 SER C C 13 174.820 0.3 . 1 . . . . 112 SER C . 18577 1 886 . 1 1 112 112 SER CA C 13 56.563 0.3 . 1 . . . . 112 SER CA . 18577 1 887 . 1 1 112 112 SER CB C 13 62.271 0.3 . 1 . . . . 112 SER CB . 18577 1 888 . 1 1 112 112 SER N N 15 117.440 0.3 . 1 . . . . 112 SER N . 18577 1 889 . 1 1 113 113 LYS H H 1 8.500 0.05 . 1 . . . . 113 LYS HN . 18577 1 890 . 1 1 113 113 LYS HA H 1 4.394 0.05 . 1 . . . . 113 LYS HA . 18577 1 891 . 1 1 113 113 LYS HB2 H 1 1.826 0.05 . 2 . . . . 113 LYS HB1 . 18577 1 892 . 1 1 113 113 LYS HB3 H 1 1.826 0.05 . 2 . . . . 113 LYS HB2 . 18577 1 893 . 1 1 113 113 LYS HG2 H 1 1.463 0.05 . 2 . . . . 113 LYS HG1 . 18577 1 894 . 1 1 113 113 LYS HG3 H 1 1.463 0.05 . 2 . . . . 113 LYS HG2 . 18577 1 895 . 1 1 113 113 LYS HD2 H 1 1.708 0.05 . 2 . . . . 113 LYS HD1 . 18577 1 896 . 1 1 113 113 LYS HD3 H 1 1.708 0.05 . 2 . . . . 113 LYS HD2 . 18577 1 897 . 1 1 113 113 LYS HE2 H 1 3.010 0.05 . 2 . . . . 113 LYS HE1 . 18577 1 898 . 1 1 113 113 LYS HE3 H 1 3.010 0.05 . 2 . . . . 113 LYS HE2 . 18577 1 899 . 1 1 113 113 LYS C C 13 176.780 0.3 . 1 . . . . 113 LYS C . 18577 1 900 . 1 1 113 113 LYS CA C 13 54.642 0.3 . 1 . . . . 113 LYS CA . 18577 1 901 . 1 1 113 113 LYS CB C 13 31.074 0.3 . 1 . . . . 113 LYS CB . 18577 1 902 . 1 1 113 113 LYS CG C 13 22.966 0.3 . 1 . . . . 113 LYS CG . 18577 1 903 . 1 1 113 113 LYS CD C 13 27.317 0.3 . 1 . . . . 113 LYS CD . 18577 1 904 . 1 1 113 113 LYS CE C 13 40.429 0.3 . 1 . . . . 113 LYS CE . 18577 1 905 . 1 1 113 113 LYS N N 15 125.103 0.3 . 1 . . . . 113 LYS N . 18577 1 906 . 1 1 114 114 SER H H 1 8.343 0.05 . 1 . . . . 114 SER HN . 18577 1 907 . 1 1 114 114 SER HA H 1 4.473 0.05 . 1 . . . . 114 SER HA . 18577 1 908 . 1 1 114 114 SER HB2 H 1 3.891 0.05 . 2 . . . . 114 SER HB1 . 18577 1 909 . 1 1 114 114 SER HB3 H 1 3.891 0.05 . 2 . . . . 114 SER HB2 . 18577 1 910 . 1 1 114 114 SER C C 13 175.088 0.3 . 1 . . . . 114 SER C . 18577 1 911 . 1 1 114 114 SER CA C 13 56.931 0.3 . 1 . . . . 114 SER CA . 18577 1 912 . 1 1 114 114 SER CB C 13 62.216 0.3 . 1 . . . . 114 SER CB . 18577 1 913 . 1 1 114 114 SER N N 15 118.426 0.3 . 1 . . . . 114 SER N . 18577 1 914 . 1 1 115 115 GLY H H 1 8.441 0.05 . 1 . . . . 115 GLY HN . 18577 1 915 . 1 1 115 115 GLY HA2 H 1 3.985 0.05 . 2 . . . . 115 GLY HA1 . 18577 1 916 . 1 1 115 115 GLY HA3 H 1 3.985 0.05 . 2 . . . . 115 GLY HA2 . 18577 1 917 . 1 1 115 115 GLY C C 13 174.170 0.3 . 1 . . . . 115 GLY C . 18577 1 918 . 1 1 115 115 GLY CA C 13 43.545 0.3 . 1 . . . . 115 GLY CA . 18577 1 919 . 1 1 115 115 GLY N N 15 112.759 0.3 . 1 . . . . 115 GLY N . 18577 1 920 . 1 1 116 116 SER H H 1 8.235 0.05 . 1 . . . . 116 SER HN . 18577 1 921 . 1 1 116 116 SER HA H 1 4.451 0.05 . 1 . . . . 116 SER HA . 18577 1 922 . 1 1 116 116 SER HB2 H 1 3.872 0.05 . 2 . . . . 116 SER HB1 . 18577 1 923 . 1 1 116 116 SER HB3 H 1 3.872 0.05 . 2 . . . . 116 SER HB2 . 18577 1 924 . 1 1 116 116 SER C C 13 174.560 0.3 . 1 . . . . 116 SER C . 18577 1 925 . 1 1 116 116 SER CA C 13 56.909 0.3 . 1 . . . . 116 SER CA . 18577 1 926 . 1 1 116 116 SER CB C 13 61.823 0.3 . 1 . . . . 116 SER CB . 18577 1 927 . 1 1 116 116 SER N N 15 117.156 0.3 . 1 . . . . 116 SER N . 18577 1 928 . 1 1 117 117 ASN H H 1 8.327 0.05 . 1 . . . . 117 ASN HN . 18577 1 929 . 1 1 117 117 ASN HA H 1 4.735 0.05 . 1 . . . . 117 ASN HA . 18577 1 930 . 1 1 117 117 ASN HB2 H 1 2.781 0.05 . 2 . . . . 117 ASN HB1 . 18577 1 931 . 1 1 117 117 ASN HB3 H 1 2.818 0.05 . 2 . . . . 117 ASN HB2 . 18577 1 932 . 1 1 117 117 ASN HD21 H 1 6.731 0.05 . 2 . . . . 117 ASN HD21 . 18577 1 933 . 1 1 117 117 ASN HD22 H 1 6.731 0.05 . 2 . . . . 117 ASN HD22 . 18577 1 934 . 1 1 117 117 ASN C C 13 175.290 0.3 . 1 . . . . 117 ASN C . 18577 1 935 . 1 1 117 117 ASN CA C 13 51.665 0.3 . 1 . . . . 117 ASN CA . 18577 1 936 . 1 1 117 117 ASN CB C 13 37.120 0.3 . 1 . . . . 117 ASN CB . 18577 1 937 . 1 1 117 117 ASN N N 15 122.312 0.3 . 1 . . . . 117 ASN N . 18577 1 938 . 1 1 118 118 LYS H H 1 8.300 0.05 . 1 . . . . 118 LYS HN . 18577 1 939 . 1 1 118 118 LYS HA H 1 4.349 0.05 . 1 . . . . 118 LYS HA . 18577 1 940 . 1 1 118 118 LYS HB2 H 1 1.815 0.05 . 2 . . . . 118 LYS HB1 . 18577 1 941 . 1 1 118 118 LYS HB3 H 1 1.815 0.05 . 2 . . . . 118 LYS HB2 . 18577 1 942 . 1 1 118 118 LYS HG2 H 1 1.452 0.05 . 2 . . . . 118 LYS HG1 . 18577 1 943 . 1 1 118 118 LYS HG3 H 1 1.452 0.05 . 2 . . . . 118 LYS HG2 . 18577 1 944 . 1 1 118 118 LYS HD2 H 1 1.719 0.05 . 2 . . . . 118 LYS HD1 . 18577 1 945 . 1 1 118 118 LYS HD3 H 1 1.824 0.05 . 2 . . . . 118 LYS HD2 . 18577 1 946 . 1 1 118 118 LYS HE2 H 1 3.303 0.05 . 2 . . . . 118 LYS HE1 . 18577 1 947 . 1 1 118 118 LYS HE3 H 1 3.303 0.05 . 2 . . . . 118 LYS HE2 . 18577 1 948 . 1 1 118 118 LYS C C 13 176.650 0.3 . 1 . . . . 118 LYS C . 18577 1 949 . 1 1 118 118 LYS CA C 13 54.689 0.3 . 1 . . . . 118 LYS CA . 18577 1 950 . 1 1 118 118 LYS CB C 13 31.091 0.3 . 1 . . . . 118 LYS CB . 18577 1 951 . 1 1 118 118 LYS CG C 13 22.972 0.3 . 1 . . . . 118 LYS CG . 18577 1 952 . 1 1 118 118 LYS CD C 13 27.327 0.3 . 1 . . . . 118 LYS CD . 18577 1 953 . 1 1 118 118 LYS CE C 13 40.564 0.3 . 1 . . . . 118 LYS CE . 18577 1 954 . 1 1 118 118 LYS N N 15 123.425 0.3 . 1 . . . . 118 LYS N . 18577 1 955 . 1 1 119 119 SER H H 1 8.344 0.05 . 1 . . . . 119 SER HN . 18577 1 956 . 1 1 119 119 SER HA H 1 4.485 0.05 . 1 . . . . 119 SER HA . 18577 1 957 . 1 1 119 119 SER HB2 H 1 3.894 0.05 . 2 . . . . 119 SER HB1 . 18577 1 958 . 1 1 119 119 SER HB3 H 1 3.894 0.05 . 2 . . . . 119 SER HB2 . 18577 1 959 . 1 1 119 119 SER C C 13 174.560 0.3 . 1 . . . . 119 SER C . 18577 1 960 . 1 1 119 119 SER CA C 13 56.559 0.3 . 1 . . . . 119 SER CA . 18577 1 961 . 1 1 119 119 SER CB C 13 61.944 0.3 . 1 . . . . 119 SER CB . 18577 1 962 . 1 1 119 119 SER N N 15 118.592 0.3 . 1 . . . . 119 SER N . 18577 1 963 . 1 1 120 120 SER H H 1 8.352 0.05 . 1 . . . . 120 SER HN . 18577 1 964 . 1 1 120 120 SER HA H 1 4.531 0.05 . 1 . . . . 120 SER HA . 18577 1 965 . 1 1 120 120 SER HB2 H 1 3.872 0.05 . 2 . . . . 120 SER HB1 . 18577 1 966 . 1 1 120 120 SER HB3 H 1 3.872 0.05 . 2 . . . . 120 SER HB2 . 18577 1 967 . 1 1 120 120 SER C C 13 174.570 0.3 . 1 . . . . 120 SER C . 18577 1 968 . 1 1 120 120 SER CA C 13 56.559 0.3 . 1 . . . . 120 SER CA . 18577 1 969 . 1 1 120 120 SER CB C 13 61.944 0.3 . 1 . . . . 120 SER CB . 18577 1 970 . 1 1 120 120 SER N N 15 119.656 0.3 . 1 . . . . 120 SER N . 18577 1 971 . 1 1 121 121 ILE H H 1 8.128 0.05 . 1 . . . . 121 ILE HN . 18577 1 972 . 1 1 121 121 ILE HA H 1 4.236 0.05 . 1 . . . . 121 ILE HA . 18577 1 973 . 1 1 121 121 ILE HB H 1 1.909 0.05 . 1 . . . . 121 ILE HB . 18577 1 974 . 1 1 121 121 ILE HG12 H 1 1.140 0.05 . 1 . . . . 121 ILE HG11 . 18577 1 975 . 1 1 121 121 ILE HG13 H 1 1.140 0.05 . 1 . . . . 121 ILE HG12 . 18577 1 976 . 1 1 121 121 ILE HG21 H 1 0.839 0.05 . 1 . . . . 121 ILE HG21 . 18577 1 977 . 1 1 121 121 ILE HG22 H 1 0.839 0.05 . 1 . . . . 121 ILE HG21 . 18577 1 978 . 1 1 121 121 ILE HG23 H 1 0.839 0.05 . 1 . . . . 121 ILE HG21 . 18577 1 979 . 1 1 121 121 ILE HD11 H 1 0.931 0.05 . 1 . . . . 121 ILE HD11 . 18577 1 980 . 1 1 121 121 ILE HD12 H 1 0.931 0.05 . 1 . . . . 121 ILE HD11 . 18577 1 981 . 1 1 121 121 ILE HD13 H 1 0.931 0.05 . 1 . . . . 121 ILE HD11 . 18577 1 982 . 1 1 121 121 ILE C C 13 176.370 0.3 . 1 . . . . 121 ILE C . 18577 1 983 . 1 1 121 121 ILE CA C 13 59.529 0.3 . 1 . . . . 121 ILE CA . 18577 1 984 . 1 1 121 121 ILE CB C 13 37.048 0.3 . 1 . . . . 121 ILE CB . 18577 1 985 . 1 1 121 121 ILE CG1 C 13 25.444 0.3 . 1 . . . . 121 ILE CG1 . 18577 1 986 . 1 1 121 121 ILE CG2 C 13 15.910 0.3 . 1 . . . . 121 ILE CG2 . 18577 1 987 . 1 1 121 121 ILE CD1 C 13 11.437 0.3 . 1 . . . . 121 ILE CD1 . 18577 1 988 . 1 1 121 121 ILE N N 15 123.688 0.3 . 1 . . . . 121 ILE N . 18577 1 989 . 1 1 122 122 SER H H 1 8.346 0.05 . 1 . . . . 122 SER HN . 18577 1 990 . 1 1 122 122 SER HA H 1 4.509 0.05 . 1 . . . . 122 SER HA . 18577 1 991 . 1 1 122 122 SER HB2 H 1 3.875 0.05 . 2 . . . . 122 SER HB1 . 18577 1 992 . 1 1 122 122 SER HB3 H 1 3.875 0.05 . 2 . . . . 122 SER HB2 . 18577 1 993 . 1 1 122 122 SER C C 13 174.630 0.3 . 1 . . . . 122 SER C . 18577 1 994 . 1 1 122 122 SER CA C 13 56.420 0.3 . 1 . . . . 122 SER CA . 18577 1 995 . 1 1 122 122 SER CB C 13 62.085 0.3 . 1 . . . . 122 SER CB . 18577 1 996 . 1 1 122 122 SER N N 15 121.116 0.3 . 1 . . . . 122 SER N . 18577 1 997 . 1 1 123 123 SER H H 1 8.336 0.05 . 1 . . . . 123 SER HN . 18577 1 998 . 1 1 123 123 SER HA H 1 4.478 0.05 . 1 . . . . 123 SER HA . 18577 1 999 . 1 1 123 123 SER HB2 H 1 3.883 0.05 . 2 . . . . 123 SER HB1 . 18577 1 1000 . 1 1 123 123 SER HB3 H 1 3.883 0.05 . 2 . . . . 123 SER HB2 . 18577 1 1001 . 1 1 123 123 SER C C 13 174.560 0.3 . 1 . . . . 123 SER C . 18577 1 1002 . 1 1 123 123 SER CA C 13 56.588 0.3 . 1 . . . . 123 SER CA . 18577 1 1003 . 1 1 123 123 SER CB C 13 61.996 0.3 . 1 . . . . 123 SER CB . 18577 1 1004 . 1 1 123 123 SER N N 15 119.893 0.3 . 1 . . . . 123 SER N . 18577 1 1005 . 1 1 124 124 LYS H H 1 8.348 0.05 . 1 . . . . 124 LYS HN . 18577 1 1006 . 1 1 124 124 LYS HA H 1 4.401 0.05 . 1 . . . . 124 LYS HA . 18577 1 1007 . 1 1 124 124 LYS HB2 H 1 1.750 0.05 . 2 . . . . 124 LYS HB1 . 18577 1 1008 . 1 1 124 124 LYS HB3 H 1 1.810 0.05 . 2 . . . . 124 LYS HB2 . 18577 1 1009 . 1 1 124 124 LYS HG2 H 1 1.383 0.05 . 2 . . . . 124 LYS HG1 . 18577 1 1010 . 1 1 124 124 LYS HG3 H 1 1.383 0.05 . 2 . . . . 124 LYS HG2 . 18577 1 1011 . 1 1 124 124 LYS HD2 H 1 1.449 0.05 . 2 . . . . 124 LYS HD1 . 18577 1 1012 . 1 1 124 124 LYS HD3 H 1 1.449 0.05 . 2 . . . . 124 LYS HD2 . 18577 1 1013 . 1 1 124 124 LYS HE2 H 1 2.994 0.05 . 2 . . . . 124 LYS HE1 . 18577 1 1014 . 1 1 124 124 LYS HE3 H 1 2.994 0.05 . 2 . . . . 124 LYS HE2 . 18577 1 1015 . 1 1 124 124 LYS C C 13 176.670 0.3 . 1 . . . . 124 LYS C . 18577 1 1016 . 1 1 124 124 LYS CA C 13 54.612 0.3 . 1 . . . . 124 LYS CA . 18577 1 1017 . 1 1 124 124 LYS CB C 13 31.211 0.3 . 1 . . . . 124 LYS CB . 18577 1 1018 . 1 1 124 124 LYS CG C 13 23.031 0.3 . 1 . . . . 124 LYS CG . 18577 1 1019 . 1 1 124 124 LYS CD C 13 27.209 0.3 . 1 . . . . 124 LYS CD . 18577 1 1020 . 1 1 124 124 LYS CE C 13 40.509 0.3 . 1 . . . . 124 LYS CE . 18577 1 1021 . 1 1 124 124 LYS N N 15 124.826 0.3 . 1 . . . . 124 LYS N . 18577 1 1022 . 1 1 125 125 SER H H 1 8.307 0.05 . 1 . . . . 125 SER HN . 18577 1 1023 . 1 1 125 125 SER HA H 1 4.460 0.05 . 1 . . . . 125 SER HA . 18577 1 1024 . 1 1 125 125 SER HB2 H 1 3.887 0.05 . 2 . . . . 125 SER HB1 . 18577 1 1025 . 1 1 125 125 SER HB3 H 1 3.887 0.05 . 2 . . . . 125 SER HB2 . 18577 1 1026 . 1 1 125 125 SER C C 13 175.120 0.3 . 1 . . . . 125 SER C . 18577 1 1027 . 1 1 125 125 SER CA C 13 56.714 0.3 . 1 . . . . 125 SER CA . 18577 1 1028 . 1 1 125 125 SER CB C 13 62.158 0.3 . 1 . . . . 125 SER CB . 18577 1 1029 . 1 1 125 125 SER N N 15 118.320 0.3 . 1 . . . . 125 SER N . 18577 1 1030 . 1 1 126 126 GLY H H 1 8.418 0.05 . 1 . . . . 126 GLY HN . 18577 1 1031 . 1 1 126 126 GLY HA2 H 1 4.013 0.05 . 2 . . . . 126 GLY HA1 . 18577 1 1032 . 1 1 126 126 GLY HA3 H 1 4.013 0.05 . 2 . . . . 126 GLY HA2 . 18577 1 1033 . 1 1 126 126 GLY C C 13 174.070 0.3 . 1 . . . . 126 GLY C . 18577 1 1034 . 1 1 126 126 GLY CA C 13 43.748 0.3 . 1 . . . . 126 GLY CA . 18577 1 1035 . 1 1 126 126 GLY N N 15 112.757 0.3 . 1 . . . . 126 GLY N . 18577 1 1036 . 1 1 127 127 ASP H H 1 8.221 0.05 . 1 . . . . 127 ASP HN . 18577 1 1037 . 1 1 127 127 ASP HA H 1 4.622 0.05 . 1 . . . . 127 ASP HA . 18577 1 1038 . 1 1 127 127 ASP HB2 H 1 2.716 0.05 . 2 . . . . 127 ASP HB1 . 18577 1 1039 . 1 1 127 127 ASP HB3 H 1 2.716 0.05 . 2 . . . . 127 ASP HB2 . 18577 1 1040 . 1 1 127 127 ASP C C 13 177.010 0.3 . 1 . . . . 127 ASP C . 18577 1 1041 . 1 1 127 127 ASP CA C 13 52.558 0.3 . 1 . . . . 127 ASP CA . 18577 1 1042 . 1 1 127 127 ASP CB C 13 39.511 0.3 . 1 . . . . 127 ASP CB . 18577 1 1043 . 1 1 127 127 ASP N N 15 121.797 0.3 . 1 . . . . 127 ASP N . 18577 1 1044 . 1 1 128 128 GLY H H 1 8.440 0.05 . 1 . . . . 128 GLY HN . 18577 1 1045 . 1 1 128 128 GLY HA2 H 1 3.949 0.05 . 2 . . . . 128 GLY HA1 . 18577 1 1046 . 1 1 128 128 GLY HA3 H 1 3.949 0.05 . 2 . . . . 128 GLY HA2 . 18577 1 1047 . 1 1 128 128 GLY C C 13 174.460 0.3 . 1 . . . . 128 GLY C . 18577 1 1048 . 1 1 128 128 GLY CA C 13 43.981 0.3 . 1 . . . . 128 GLY CA . 18577 1 1049 . 1 1 128 128 GLY N N 15 110.941 0.3 . 1 . . . . 128 GLY N . 18577 1 1050 . 1 1 129 129 LYS H H 1 8.194 0.05 . 1 . . . . 129 LYS HN . 18577 1 1051 . 1 1 129 129 LYS HA H 1 4.398 0.05 . 1 . . . . 129 LYS HA . 18577 1 1052 . 1 1 129 129 LYS HB2 H 1 1.814 0.05 . 2 . . . . 129 LYS HB1 . 18577 1 1053 . 1 1 129 129 LYS HB3 H 1 1.814 0.05 . 2 . . . . 129 LYS HB2 . 18577 1 1054 . 1 1 129 129 LYS HG2 H 1 1.437 0.05 . 2 . . . . 129 LYS HG1 . 18577 1 1055 . 1 1 129 129 LYS HG3 H 1 1.437 0.05 . 2 . . . . 129 LYS HG2 . 18577 1 1056 . 1 1 129 129 LYS HD2 H 1 1.676 0.05 . 2 . . . . 129 LYS HD1 . 18577 1 1057 . 1 1 129 129 LYS HD3 H 1 1.676 0.05 . 2 . . . . 129 LYS HD2 . 18577 1 1058 . 1 1 129 129 LYS HE2 H 1 2.980 0.05 . 2 . . . . 129 LYS HE1 . 18577 1 1059 . 1 1 129 129 LYS HE3 H 1 2.980 0.05 . 2 . . . . 129 LYS HE2 . 18577 1 1060 . 1 1 129 129 LYS HZ1 H 1 6.320 0.05 . 1 . . . . 129 LYS HZ1 . 18577 1 1061 . 1 1 129 129 LYS HZ2 H 1 6.320 0.05 . 1 . . . . 129 LYS HZ1 . 18577 1 1062 . 1 1 129 129 LYS HZ3 H 1 6.320 0.05 . 1 . . . . 129 LYS HZ1 . 18577 1 1063 . 1 1 129 129 LYS C C 13 176.920 0.3 . 1 . . . . 129 LYS C . 18577 1 1064 . 1 1 129 129 LYS CA C 13 54.658 0.3 . 1 . . . . 129 LYS CA . 18577 1 1065 . 1 1 129 129 LYS CB C 13 31.205 0.3 . 1 . . . . 129 LYS CB . 18577 1 1066 . 1 1 129 129 LYS CG C 13 22.972 0.3 . 1 . . . . 129 LYS CG . 18577 1 1067 . 1 1 129 129 LYS CD C 13 27.268 0.3 . 1 . . . . 129 LYS CD . 18577 1 1068 . 1 1 129 129 LYS CE C 13 40.450 0.3 . 1 . . . . 129 LYS CE . 18577 1 1069 . 1 1 129 129 LYS N N 15 122.321 0.3 . 1 . . . . 129 LYS N . 18577 1 1070 . 1 1 130 130 THR H H 1 8.247 0.05 . 1 . . . . 130 THR HN . 18577 1 1071 . 1 1 130 130 THR HA H 1 4.379 0.05 . 1 . . . . 130 THR HA . 18577 1 1072 . 1 1 130 130 THR HB H 1 4.263 0.05 . 1 . . . . 130 THR HB . 18577 1 1073 . 1 1 130 130 THR HG21 H 1 1.166 0.05 . 1 . . . . 130 THR HG21 . 18577 1 1074 . 1 1 130 130 THR HG22 H 1 1.166 0.05 . 1 . . . . 130 THR HG21 . 18577 1 1075 . 1 1 130 130 THR HG23 H 1 1.166 0.05 . 1 . . . . 130 THR HG21 . 18577 1 1076 . 1 1 130 130 THR C C 13 174.440 0.3 . 1 . . . . 130 THR C . 18577 1 1077 . 1 1 130 130 THR CA C 13 60.025 0.3 . 1 . . . . 130 THR CA . 18577 1 1078 . 1 1 130 130 THR CB C 13 68.059 0.3 . 1 . . . . 130 THR CB . 18577 1 1079 . 1 1 130 130 THR CG2 C 13 20.013 0.3 . 1 . . . . 130 THR CG2 . 18577 1 1080 . 1 1 130 130 THR N N 15 116.768 0.3 . 1 . . . . 130 THR N . 18577 1 1081 . 1 1 131 131 SER H H 1 8.308 0.05 . 1 . . . . 131 SER HN . 18577 1 1082 . 1 1 131 131 SER HA H 1 4.469 0.05 . 1 . . . . 131 SER HA . 18577 1 1083 . 1 1 131 131 SER HB2 H 1 3.761 0.05 . 2 . . . . 131 SER HB1 . 18577 1 1084 . 1 1 131 131 SER HB3 H 1 3.761 0.05 . 2 . . . . 131 SER HB2 . 18577 1 1085 . 1 1 131 131 SER C C 13 174.000 0.3 . 1 . . . . 131 SER C . 18577 1 1086 . 1 1 131 131 SER CA C 13 56.462 0.3 . 1 . . . . 131 SER CA . 18577 1 1087 . 1 1 131 131 SER CB C 13 62.183 0.3 . 1 . . . . 131 SER CB . 18577 1 1088 . 1 1 131 131 SER N N 15 120.243 0.3 . 1 . . . . 131 SER N . 18577 1 1089 . 1 1 132 132 VAL H H 1 7.983 0.05 . 1 . . . . 132 VAL HN . 18577 1 1090 . 1 1 132 132 VAL HA H 1 4.140 0.05 . 1 . . . . 132 VAL HA . 18577 1 1091 . 1 1 132 132 VAL HB H 1 1.930 0.05 . 1 . . . . 132 VAL HB . 18577 1 1092 . 1 1 132 132 VAL HG11 H 1 0.698 0.05 . 2 . . . . 132 VAL HG11 . 18577 1 1093 . 1 1 132 132 VAL HG12 H 1 0.698 0.05 . 2 . . . . 132 VAL HG11 . 18577 1 1094 . 1 1 132 132 VAL HG13 H 1 0.698 0.05 . 2 . . . . 132 VAL HG11 . 18577 1 1095 . 1 1 132 132 VAL HG21 H 1 0.801 0.05 . 2 . . . . 132 VAL HG21 . 18577 1 1096 . 1 1 132 132 VAL HG22 H 1 0.801 0.05 . 2 . . . . 132 VAL HG21 . 18577 1 1097 . 1 1 132 132 VAL HG23 H 1 0.801 0.05 . 2 . . . . 132 VAL HG21 . 18577 1 1098 . 1 1 132 132 VAL C C 13 175.430 0.3 . 1 . . . . 132 VAL C . 18577 1 1099 . 1 1 132 132 VAL CA C 13 60.370 0.3 . 1 . . . . 132 VAL CA . 18577 1 1100 . 1 1 132 132 VAL CB C 13 31.044 0.3 . 1 . . . . 132 VAL CB . 18577 1 1101 . 1 1 132 132 VAL CG1 C 13 18.374 0.3 . 1 . . . . 132 VAL CG1 . 18577 1 1102 . 1 1 132 132 VAL CG2 C 13 19.370 0.3 . 1 . . . . 132 VAL CG2 . 18577 1 1103 . 1 1 132 132 VAL N N 15 122.404 0.3 . 1 . . . . 132 VAL N . 18577 1 1104 . 1 1 133 133 TRP H H 1 8.182 0.05 . 1 . . . . 133 TRP HN . 18577 1 1105 . 1 1 133 133 TRP HA H 1 4.779 0.05 . 1 . . . . 133 TRP HA . 18577 1 1106 . 1 1 133 133 TRP HB2 H 1 3.179 0.05 . 2 . . . . 133 TRP HB1 . 18577 1 1107 . 1 1 133 133 TRP HB3 H 1 3.344 0.05 . 2 . . . . 133 TRP HB2 . 18577 1 1108 . 1 1 133 133 TRP C C 13 174.960 0.3 . 1 . . . . 133 TRP C . 18577 1 1109 . 1 1 133 133 TRP CA C 13 55.078 0.3 . 1 . . . . 133 TRP CA . 18577 1 1110 . 1 1 133 133 TRP CB C 13 28.082 0.3 . 1 . . . . 133 TRP CB . 18577 1 1111 . 1 1 133 133 TRP N N 15 126.498 0.3 . 1 . . . . 133 TRP N . 18577 1 1112 . 1 1 134 134 ILE H H 1 7.552 0.05 . 1 . . . . 134 ILE HN . 18577 1 1113 . 1 1 134 134 ILE HA H 1 4.070 0.05 . 1 . . . . 134 ILE HA . 18577 1 1114 . 1 1 134 134 ILE HB H 1 1.765 0.05 . 1 . . . . 134 ILE HB . 18577 1 1115 . 1 1 134 134 ILE HG12 H 1 1.139 0.05 . 1 . . . . 134 ILE HG11 . 18577 1 1116 . 1 1 134 134 ILE HG13 H 1 1.421 0.05 . 1 . . . . 134 ILE HG12 . 18577 1 1117 . 1 1 134 134 ILE HG21 H 1 0.950 0.05 . 1 . . . . 134 ILE HG21 . 18577 1 1118 . 1 1 134 134 ILE HG22 H 1 0.950 0.05 . 1 . . . . 134 ILE HG21 . 18577 1 1119 . 1 1 134 134 ILE HG23 H 1 0.950 0.05 . 1 . . . . 134 ILE HG21 . 18577 1 1120 . 1 1 134 134 ILE HD11 H 1 0.749 0.05 . 1 . . . . 134 ILE HD11 . 18577 1 1121 . 1 1 134 134 ILE HD12 H 1 0.749 0.05 . 1 . . . . 134 ILE HD11 . 18577 1 1122 . 1 1 134 134 ILE HD13 H 1 0.749 0.05 . 1 . . . . 134 ILE HD11 . 18577 1 1123 . 1 1 134 134 ILE C C 13 173.300 0.3 . 1 . . . . 134 ILE C . 18577 1 1124 . 1 1 134 134 ILE CA C 13 60.905 0.3 . 1 . . . . 134 ILE CA . 18577 1 1125 . 1 1 134 134 ILE CB C 13 38.190 0.3 . 1 . . . . 134 ILE CB . 18577 1 1126 . 1 1 134 134 ILE CG1 C 13 25.613 0.3 . 1 . . . . 134 ILE CG1 . 18577 1 1127 . 1 1 134 134 ILE CG2 C 13 16.349 0.3 . 1 . . . . 134 ILE CG2 . 18577 1 1128 . 1 1 134 134 ILE CD1 C 13 11.540 0.3 . 1 . . . . 134 ILE CD1 . 18577 1 1129 . 1 1 134 134 ILE N N 15 128.110 0.3 . 1 . . . . 134 ILE N . 18577 1 stop_ save_