data_15504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15504 _Entry.Title ; Structural characterization of the type III pilotin-secretin interaction in Shigella flexneri by NMR spectroscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-02 _Entry.Accession_date 2007-10-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mark Okon . S. . 15504 2 Paula Lario . I. . 15504 3 Louise Creagh . . . 15504 4 Young Jung . 'M. T.' . 15504 5 Anthony Maurelli . T. . 15504 6 Natalie Strynadka . C.J. . 15504 7 Lawrence McIntosh . P. . 15504 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein-protein interaction' . 15504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 15504 '15N chemical shifts' 116 15504 '1H chemical shifts' 937 15504 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 . . 2009-02-05 2007-10-02 update BMRB 'Modify residue code of 18 of peptide in data table' 15504 1 . . 2008-10-31 2007-10-02 original author 'original release' 15504 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15503 MxiM 15504 PDB 2JW1 'BMRB Entry Tracking System' 15504 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15504 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18940609 _Citation.Full_citation . _Citation.Title ; Structural characterization of the type-III pilot-secretin complex from Shigella flexneri ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 10 _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 1544 _Citation.Page_last 1554 _Citation.Year 2008 _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 Mark Okon . . . 15504 1 2 Trevor Moraea . F. . 15504 1 3 Paula Lario . I. . 15504 1 4 Louise Creagh A. . . 15504 1 5 Charles Haynes . A. . 15504 1 6 Natalie Strynadka . C.J. . 15504 1 7 Lawrence McIntosh . P. . 15504 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Membrane proteins' 15504 1 NMR 15504 1 'Pilot protein' 15504 1 'Protein structure' 15504 1 'Proten-protein interaction' 15504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15504 _Assembly.ID 1 _Assembly.Name 'MxiM - MxiD complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14670 _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 MxiM(28-142) 1 $MxiM(28-142) A . yes native no yes . . . 15504 1 2 MxiD(553-570) 2 $MxiD(553-570) B . yes native no yes . . . 15504 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 MxiM(28-142) 1 CYS 42 42 SG . 1 MxiM(28-142) 1 CYS 68 68 SG 1 MxiM(28-142) 42 cys SG 1 MxiM(28-142) 68 cys SG 15504 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 15504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MxiM(28-142) _Entity.Sf_category entity _Entity.Sf_framecode MxiM(28-142) _Entity.Entry_ID 15504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MxiM(28-142) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSSNSEKEWHIVPVSKDYFS IPNDLLWSFNTTNKSINVYS KCISGKAVYSFNAGKFMGNF NVKEVDGCFMDAQKIAIDKL FSMLKDGVVLKGNKINDTIL IEKDGEVKLKLIRGI ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12650 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15503 . MxiM(28-142) . . . . . 100.00 115 100.00 100.00 3.16e-75 . . . . 15504 1 2 no PDB 1Y9L . "The X-Ray Structure Of An Secretion System Protein" . . . . . 100.00 115 100.00 100.00 3.16e-75 . . . . 15504 1 3 no PDB 1Y9T . "Crystal Structure Of A Type Iii Secretion System Protein Complexed With The Lipid, 1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosph" . . . . . 100.00 115 100.00 100.00 3.16e-75 . . . . 15504 1 4 no PDB 2JW1 . "Structural Characterization Of The Type Iii Pilotin- Secretin Interaction In Shigella Flexneri By Nmr Spectroscopy" . . . . . 100.00 115 100.00 100.00 3.16e-75 . . . . 15504 1 5 no DBJ BAA09152 . "ORF12 [Shigella sonnei]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 6 no EMBL CAC05818 . "MxiM, lipoprotein, component of the Mxi-Spa secretion machinery [Shigella flexneri 5a str. M90T]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 7 no EMBL CEP57531 . "lipoprotein MxiM [Shigella flexneri 2a]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 8 no EMBL CSE38496 . "lipoprotein MxiM [Shigella sonnei]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 9 no EMBL CSE96731 . "lipoprotein MxiM [Shigella sonnei]" . . . . . 51.30 59 100.00 100.00 6.35e-31 . . . . 15504 1 10 no EMBL CSF42817 . "lipoprotein MxiM [Shigella sonnei]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 11 no GB AAA26534 . "lipoprotein [Shigella flexneri 2a]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 12 no GB AAK18462 . "putative lipoprotein [Shigella flexneri 5a str. M90T]" . . . . . 100.00 151 100.00 100.00 1.52e-75 . . . . 15504 1 13 no GB AAL72325 . "MxiM, lipoprotein, component of the Mxi-Spa secretion machinery [Shigella flexneri 2a str. 301]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 14 no GB AAP79006 . "MxiM [Shigella flexneri]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 15 no GB AAZ91125 . "MxiM [Shigella sonnei Ss046]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 16 no REF NP_085306 . "putative lipoprotein [Shigella flexneri 5a str. M90T]" . . . . . 100.00 151 100.00 100.00 1.52e-75 . . . . 15504 1 17 no REF NP_858276 . "Mxi-Spa secretion machinery protein MxiM [Shigella flexneri 2a str. 301]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 18 no REF WP_001346200 . "MULTISPECIES: lipoprotein MxiM [Enterobacteriaceae]" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 19 no REF WP_010921672 . "hypothetical protein [Shigella flexneri]" . . . . . 100.00 151 100.00 100.00 1.52e-75 . . . . 15504 1 20 no REF WP_039064510 . "lipoprotein MxiM [Shigella boydii]" . . . . . 100.00 142 100.00 100.00 2.31e-75 . . . . 15504 1 21 no SP P0A1X2 . "RecName: Full=Lipoprotein MxiM; Flags: Precursor" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 22 no SP P0A1X3 . "RecName: Full=Lipoprotein MxiM; Flags: Precursor" . . . . . 100.00 142 100.00 100.00 2.60e-75 . . . . 15504 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Pilot protein' 15504 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 . SER . 15504 1 2 . SER . 15504 1 3 . SER . 15504 1 4 . ASN . 15504 1 5 . SER . 15504 1 6 . GLU . 15504 1 7 . LYS . 15504 1 8 . GLU . 15504 1 9 . TRP . 15504 1 10 . HIS . 15504 1 11 . ILE . 15504 1 12 . VAL . 15504 1 13 . PRO . 15504 1 14 . VAL . 15504 1 15 . SER . 15504 1 16 . LYS . 15504 1 17 . ASP . 15504 1 18 . TYR . 15504 1 19 . PHE . 15504 1 20 . SER . 15504 1 21 . ILE . 15504 1 22 . PRO . 15504 1 23 . ASN . 15504 1 24 . ASP . 15504 1 25 . LEU . 15504 1 26 . LEU . 15504 1 27 . TRP . 15504 1 28 . SER . 15504 1 29 . PHE . 15504 1 30 . ASN . 15504 1 31 . THR . 15504 1 32 . THR . 15504 1 33 . ASN . 15504 1 34 . LYS . 15504 1 35 . SER . 15504 1 36 . ILE . 15504 1 37 . ASN . 15504 1 38 . VAL . 15504 1 39 . TYR . 15504 1 40 . SER . 15504 1 41 . LYS . 15504 1 42 . CYS . 15504 1 43 . ILE . 15504 1 44 . SER . 15504 1 45 . GLY . 15504 1 46 . LYS . 15504 1 47 . ALA . 15504 1 48 . VAL . 15504 1 49 . TYR . 15504 1 50 . SER . 15504 1 51 . PHE . 15504 1 52 . ASN . 15504 1 53 . ALA . 15504 1 54 . GLY . 15504 1 55 . LYS . 15504 1 56 . PHE . 15504 1 57 . MET . 15504 1 58 . GLY . 15504 1 59 . ASN . 15504 1 60 . PHE . 15504 1 61 . ASN . 15504 1 62 . VAL . 15504 1 63 . LYS . 15504 1 64 . GLU . 15504 1 65 . VAL . 15504 1 66 . ASP . 15504 1 67 . GLY . 15504 1 68 . CYS . 15504 1 69 . PHE . 15504 1 70 . MET . 15504 1 71 . ASP . 15504 1 72 . ALA . 15504 1 73 . GLN . 15504 1 74 . LYS . 15504 1 75 . ILE . 15504 1 76 . ALA . 15504 1 77 . ILE . 15504 1 78 . ASP . 15504 1 79 . LYS . 15504 1 80 . LEU . 15504 1 81 . PHE . 15504 1 82 . SER . 15504 1 83 . MET . 15504 1 84 . LEU . 15504 1 85 . LYS . 15504 1 86 . ASP . 15504 1 87 . GLY . 15504 1 88 . VAL . 15504 1 89 . VAL . 15504 1 90 . LEU . 15504 1 91 . LYS . 15504 1 92 . GLY . 15504 1 93 . ASN . 15504 1 94 . LYS . 15504 1 95 . ILE . 15504 1 96 . ASN . 15504 1 97 . ASP . 15504 1 98 . THR . 15504 1 99 . ILE . 15504 1 100 . LEU . 15504 1 101 . ILE . 15504 1 102 . GLU . 15504 1 103 . LYS . 15504 1 104 . ASP . 15504 1 105 . GLY . 15504 1 106 . GLU . 15504 1 107 . VAL . 15504 1 108 . LYS . 15504 1 109 . LEU . 15504 1 110 . LYS . 15504 1 111 . LEU . 15504 1 112 . ILE . 15504 1 113 . ARG . 15504 1 114 . GLY . 15504 1 115 . ILE . 15504 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 . SER 1 1 15504 1 . SER 2 2 15504 1 . SER 3 3 15504 1 . ASN 4 4 15504 1 . SER 5 5 15504 1 . GLU 6 6 15504 1 . LYS 7 7 15504 1 . GLU 8 8 15504 1 . TRP 9 9 15504 1 . HIS 10 10 15504 1 . ILE 11 11 15504 1 . VAL 12 12 15504 1 . PRO 13 13 15504 1 . VAL 14 14 15504 1 . SER 15 15 15504 1 . LYS 16 16 15504 1 . ASP 17 17 15504 1 . TYR 18 18 15504 1 . PHE 19 19 15504 1 . SER 20 20 15504 1 . ILE 21 21 15504 1 . PRO 22 22 15504 1 . ASN 23 23 15504 1 . ASP 24 24 15504 1 . LEU 25 25 15504 1 . LEU 26 26 15504 1 . TRP 27 27 15504 1 . SER 28 28 15504 1 . PHE 29 29 15504 1 . ASN 30 30 15504 1 . THR 31 31 15504 1 . THR 32 32 15504 1 . ASN 33 33 15504 1 . LYS 34 34 15504 1 . SER 35 35 15504 1 . ILE 36 36 15504 1 . ASN 37 37 15504 1 . VAL 38 38 15504 1 . TYR 39 39 15504 1 . SER 40 40 15504 1 . LYS 41 41 15504 1 . CYS 42 42 15504 1 . ILE 43 43 15504 1 . SER 44 44 15504 1 . GLY 45 45 15504 1 . LYS 46 46 15504 1 . ALA 47 47 15504 1 . VAL 48 48 15504 1 . TYR 49 49 15504 1 . SER 50 50 15504 1 . PHE 51 51 15504 1 . ASN 52 52 15504 1 . ALA 53 53 15504 1 . GLY 54 54 15504 1 . LYS 55 55 15504 1 . PHE 56 56 15504 1 . MET 57 57 15504 1 . GLY 58 58 15504 1 . ASN 59 59 15504 1 . PHE 60 60 15504 1 . ASN 61 61 15504 1 . VAL 62 62 15504 1 . LYS 63 63 15504 1 . GLU 64 64 15504 1 . VAL 65 65 15504 1 . ASP 66 66 15504 1 . GLY 67 67 15504 1 . CYS 68 68 15504 1 . PHE 69 69 15504 1 . MET 70 70 15504 1 . ASP 71 71 15504 1 . ALA 72 72 15504 1 . GLN 73 73 15504 1 . LYS 74 74 15504 1 . ILE 75 75 15504 1 . ALA 76 76 15504 1 . ILE 77 77 15504 1 . ASP 78 78 15504 1 . LYS 79 79 15504 1 . LEU 80 80 15504 1 . PHE 81 81 15504 1 . SER 82 82 15504 1 . MET 83 83 15504 1 . LEU 84 84 15504 1 . LYS 85 85 15504 1 . ASP 86 86 15504 1 . GLY 87 87 15504 1 . VAL 88 88 15504 1 . VAL 89 89 15504 1 . LEU 90 90 15504 1 . LYS 91 91 15504 1 . GLY 92 92 15504 1 . ASN 93 93 15504 1 . LYS 94 94 15504 1 . ILE 95 95 15504 1 . ASN 96 96 15504 1 . ASP 97 97 15504 1 . THR 98 98 15504 1 . ILE 99 99 15504 1 . LEU 100 100 15504 1 . ILE 101 101 15504 1 . GLU 102 102 15504 1 . LYS 103 103 15504 1 . ASP 104 104 15504 1 . GLY 105 105 15504 1 . GLU 106 106 15504 1 . VAL 107 107 15504 1 . LYS 108 108 15504 1 . LEU 109 109 15504 1 . LYS 110 110 15504 1 . LEU 111 111 15504 1 . ILE 112 112 15504 1 . ARG 113 113 15504 1 . GLY 114 114 15504 1 . ILE 115 115 15504 1 stop_ save_ save_MxiD(553-570) _Entity.Sf_category entity _Entity.Sf_framecode MxiD(553-570) _Entity.Entry_ID 15504 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MxiD(553-570) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code SETTLLEDEKSLVSYLNYX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-end residue is ACE' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2020 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 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 15497 . MxiD(525-570) . . . . . 94.44 50 100.00 100.00 5.66e-01 . . . . 15504 2 2 no BMRB 7407 . MxiD(525-570) . . . . . 94.44 50 100.00 100.00 5.66e-01 . . . . 15504 2 3 no PDB 2JW1 . "Structural Characterization Of The Type Iii Pilotin- Secretin Interaction In Shigella Flexneri By Nmr Spectroscopy" . . . . . 94.44 19 100.00 100.00 8.37e-01 . . . . 15504 2 4 no DBJ BAA09154 . "ORF14 [Shigella sonnei]" . . . . . 94.44 566 100.00 100.00 2.62e+00 . . . . 15504 2 5 no EMBL CAA47644 . "MXID [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 6 no EMBL CAC05820 . "MxiD, outermembrane protein of the secretin family, component of the Mxi-Spa secretion machinery [Shigella flexneri 5a str. M90" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 7 no GB AAK18464 . "Type III secretion protein [Shigella flexneri 5a str. M90T]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 8 no GB AAL72331 . "MxiD, outermembrane protein of the secretin family, component of the Mxi-Spa secretion machinery [Shigella flexneri 2a str. 301" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 9 no GB AAP79008 . "MxiD [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.55e+00 . . . . 15504 2 10 no GB AAZ91127 . "MxiD [Shigella sonnei Ss046]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 11 no GB ABB64696 . "MxiD [Shigella dysenteriae Sd197]" . . . . . 94.44 566 100.00 100.00 2.67e+00 . . . . 15504 2 12 no REF NP_085308 . "Type III secretion protein [Shigella flexneri 5a str. M90T]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 13 no REF NP_858278 . "outermembrane protein MxiD [Shigella flexneri 2a str. 301]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 14 no REF WP_000714355 . "membrane protein [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 15 no REF WP_000714356 . "membrane protein [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.62e+00 . . . . 15504 2 16 no REF WP_000714357 . "membrane protein [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 17 no SP Q04641 . "RecName: Full=Outer membrane protein MxiD; Flags: Precursor [Shigella flexneri]" . . . . . 94.44 566 100.00 100.00 2.60e+00 . . . . 15504 2 18 no SP Q55293 . "RecName: Full=Outer membrane protein MxiD; Flags: Precursor [Shigella sonnei]" . . . . . 94.44 566 100.00 100.00 2.62e+00 . . . . 15504 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Secretin 15504 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 553 SER . 15504 2 2 554 GLU . 15504 2 3 555 THR . 15504 2 4 556 THR . 15504 2 5 557 LEU . 15504 2 6 558 LEU . 15504 2 7 559 GLU . 15504 2 8 560 ASP . 15504 2 9 561 GLU . 15504 2 10 562 LYS . 15504 2 11 563 SER . 15504 2 12 564 LEU . 15504 2 13 565 VAL . 15504 2 14 566 SER . 15504 2 15 567 TYR . 15504 2 16 568 LEU . 15504 2 17 569 ASN . 15504 2 18 570 TYR . 15504 2 19 570 ACE . 15504 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 15504 2 . GLU 2 2 15504 2 . THR 3 3 15504 2 . THR 4 4 15504 2 . LEU 5 5 15504 2 . LEU 6 6 15504 2 . GLU 7 7 15504 2 . ASP 8 8 15504 2 . GLU 9 9 15504 2 . LYS 10 10 15504 2 . SER 11 11 15504 2 . LEU 12 12 15504 2 . VAL 13 13 15504 2 . SER 14 14 15504 2 . TYR 15 15 15504 2 . LEU 16 16 15504 2 . ASN 17 17 15504 2 . TYR 18 18 15504 2 . ACE 19 19 15504 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15504 _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 $MxiM(28-142) . 623 plasmid . 'Shigella flexneri' 'Shigella flexneri' . . Bacteria . Shigella flexneri . . . . . . . . . . . . . . . . . . . . . 15504 1 2 2 $MxiD(553-570) . 623 plasmid . 'Shigella flexneri' 'Shigella flexneri' . . Bacteria . Shigella flexneri . . . . . . . . . . . . . . . . . . . . . 15504 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 15504 _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 $MxiM(28-142) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 15504 1 2 2 $MxiD(553-570) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15504 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 15504 _Chem_comp.ID ACE _Chem_comp.Provenance . _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 14:09:16 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 15504 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 15504 ACE CC=O SMILES_CANONICAL CACTVS 3.341 15504 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15504 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 15504 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 15504 ACE O=CC SMILES ACDLabs 10.04 15504 ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 15504 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15504 ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 15504 ACE O . O . . O . . N 0 . . . . no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 15504 ACE CH3 . CH3 . . C . . N 0 . . . . no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 15504 ACE H . H . . H . . N 0 . . . . no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 15504 ACE H1 . H1 . . H . . N 0 . . . . no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 15504 ACE H2 . H2 . . H . . N 0 . . . . no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 15504 ACE H3 . H3 . . H . . N 0 . . . . no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 15504 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 15504 ACE 2 . SING C CH3 no N 2 . 15504 ACE 3 . SING C H no N 3 . 15504 ACE 4 . SING CH3 H1 no N 4 . 15504 ACE 5 . SING CH3 H2 no N 5 . 15504 ACE 6 . SING CH3 H3 no N 6 . 15504 ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15504 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM HEPES and 0.5 mM of dodecylmaltoside were present in solution.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 MxiM(28-142) '[U-95% 13C; U-95% 15N]' . . 1 $MxiM(28-142) . . '0.3 - 0.5' . . mM . . . . 15504 1 2 MxiD(553-570) 'natural abundance' . . 2 $MxiD(553-570) . . '0.5 - 0.7' . . mM . . . . 15504 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15504 1 4 dodecylmaltosid 'natural abundance' . . . . . . 0.5 . . mM . . . . 15504 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15504 1 6 D2O . . . . . . . 5 . . % . . . . 15504 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15504 _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' 20 . mM 15504 1 pH 6.5 0.1 pH 15504 1 pressure 1 . atm 15504 1 temperature 288 0.5 K 15504 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15504 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15504 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15504 _Software.ID 2 _Software.Name NMRView _Software.Version nmrview5.0.4.linux _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15504 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15504 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 15504 _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 15504 _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 . . . 15504 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 15504 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 9 13C/15N_F1,F2-filtered_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 1 10 13C/15N_F1,F2-filtered_TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15504 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 15504 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15504 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15504 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15504 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15504 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 2 '3D CBCA(CO)NH' . . . 15504 1 3 '3D HNCO' . . . 15504 1 4 '3D HNCA' . . . 15504 1 6 '3D HCCH-TOCSY' . . . 15504 1 9 13C/15N_F1,F2-filtered_NOESY . . . 15504 1 10 13C/15N_F1,F2-filtered_TOCSY . . . 15504 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15504 1 2 $NMRView . . 15504 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.54 0.02 . 1 . . . . 29 SER HA . 15504 1 2 . 1 1 2 2 SER HB2 H 1 3.89 0.02 . 2 . . . . 29 SER HB1 . 15504 1 3 . 1 1 2 2 SER HB3 H 1 3.89 0.02 . 2 . . . . 29 SER HB2 . 15504 1 4 . 1 1 2 2 SER C C 13 174.37 0.2 . 1 . . . . 29 SER C . 15504 1 5 . 1 1 2 2 SER CA C 13 58.38 0.2 . 1 . . . . 29 SER CA . 15504 1 6 . 1 1 2 2 SER CB C 13 63.67 0.2 . 1 . . . . 29 SER CB . 15504 1 7 . 1 1 3 3 SER H H 1 8.53 0.02 . 1 . . . . 30 SER HN . 15504 1 8 . 1 1 3 3 SER HA H 1 4.48 0.02 . 1 . . . . 30 SER HA . 15504 1 9 . 1 1 3 3 SER HB2 H 1 3.90 0.02 . 2 . . . . 30 SER HB1 . 15504 1 10 . 1 1 3 3 SER HB3 H 1 3.84 0.02 . 2 . . . . 30 SER HB2 . 15504 1 11 . 1 1 3 3 SER C C 13 174.61 0.2 . 1 . . . . 30 SER C . 15504 1 12 . 1 1 3 3 SER CA C 13 58.38 0.2 . 1 . . . . 30 SER CA . 15504 1 13 . 1 1 3 3 SER CB C 13 63.69 0.2 . 1 . . . . 30 SER CB . 15504 1 14 . 1 1 3 3 SER N N 15 117.76 0.2 . 1 . . . . 30 SER N . 15504 1 15 . 1 1 4 4 ASN H H 1 8.60 0.02 . 1 . . . . 31 ASN HN . 15504 1 16 . 1 1 4 4 ASN HA H 1 4.71 0.02 . 1 . . . . 31 ASN HA . 15504 1 17 . 1 1 4 4 ASN HB2 H 1 2.84 0.02 . 2 . . . . 31 ASN HB1 . 15504 1 18 . 1 1 4 4 ASN HB3 H 1 2.84 0.02 . 2 . . . . 31 ASN HB2 . 15504 1 19 . 1 1 4 4 ASN HD21 H 1 7.67 0.02 . 1 . . . . 31 ASN HD21 . 15504 1 20 . 1 1 4 4 ASN HD22 H 1 6.96 0.02 . 1 . . . . 31 ASN HD22 . 15504 1 21 . 1 1 4 4 ASN C C 13 175.84 0.2 . 1 . . . . 31 ASN C . 15504 1 22 . 1 1 4 4 ASN CA C 13 53.88 0.2 . 1 . . . . 31 ASN CA . 15504 1 23 . 1 1 4 4 ASN CB C 13 38.52 0.2 . 1 . . . . 31 ASN CB . 15504 1 24 . 1 1 4 4 ASN N N 15 120.91 0.2 . 1 . . . . 31 ASN N . 15504 1 25 . 1 1 4 4 ASN ND2 N 15 113.35 0.2 . 1 . . . . 31 ASN ND2 . 15504 1 26 . 1 1 5 5 SER H H 1 8.36 0.02 . 1 . . . . 32 SER HN . 15504 1 27 . 1 1 5 5 SER HA H 1 4.42 0.02 . 1 . . . . 32 SER HA . 15504 1 28 . 1 1 5 5 SER HB2 H 1 3.96 0.02 . 2 . . . . 32 SER HB1 . 15504 1 29 . 1 1 5 5 SER HB3 H 1 3.89 0.02 . 2 . . . . 32 SER HB2 . 15504 1 30 . 1 1 5 5 SER C C 13 174.70 0.2 . 1 . . . . 32 SER C . 15504 1 31 . 1 1 5 5 SER CA C 13 59.31 0.2 . 1 . . . . 32 SER CA . 15504 1 32 . 1 1 5 5 SER CB C 13 63.41 0.2 . 1 . . . . 32 SER CB . 15504 1 33 . 1 1 5 5 SER N N 15 115.92 0.2 . 1 . . . . 32 SER N . 15504 1 34 . 1 1 6 6 GLU H H 1 8.37 0.02 . 1 . . . . 33 GLU HN . 15504 1 35 . 1 1 6 6 GLU HA H 1 4.53 0.02 . 1 . . . . 33 GLU HA . 15504 1 36 . 1 1 6 6 GLU HB2 H 1 2.21 0.02 . 2 . . . . 33 GLU HB1 . 15504 1 37 . 1 1 6 6 GLU HB3 H 1 2.02 0.02 . 2 . . . . 33 GLU HB2 . 15504 1 38 . 1 1 6 6 GLU HG2 H 1 2.36 0.02 . 2 . . . . 33 GLU HG1 . 15504 1 39 . 1 1 6 6 GLU HG3 H 1 2.36 0.02 . 2 . . . . 33 GLU HG2 . 15504 1 40 . 1 1 6 6 GLU C C 13 176.39 0.2 . 1 . . . . 33 GLU C . 15504 1 41 . 1 1 6 6 GLU CA C 13 56.51 0.2 . 1 . . . . 33 GLU CA . 15504 1 42 . 1 1 6 6 GLU CB C 13 29.85 0.2 . 1 . . . . 33 GLU CB . 15504 1 43 . 1 1 6 6 GLU CG C 13 36.56 0.2 . 1 . . . . 33 GLU CG . 15504 1 44 . 1 1 6 6 GLU N N 15 121.67 0.2 . 1 . . . . 33 GLU N . 15504 1 45 . 1 1 7 7 LYS H H 1 8.12 0.02 . 1 . . . . 34 LYS HN . 15504 1 46 . 1 1 7 7 LYS HA H 1 4.37 0.02 . 1 . . . . 34 LYS HA . 15504 1 47 . 1 1 7 7 LYS HB2 H 1 1.88 0.02 . 2 . . . . 34 LYS HB1 . 15504 1 48 . 1 1 7 7 LYS HB3 H 1 1.83 0.02 . 2 . . . . 34 LYS HB2 . 15504 1 49 . 1 1 7 7 LYS HD2 H 1 1.59 0.02 . 2 . . . . 34 LYS HD1 . 15504 1 50 . 1 1 7 7 LYS HD3 H 1 1.59 0.02 . 2 . . . . 34 LYS HD2 . 15504 1 51 . 1 1 7 7 LYS HE2 H 1 2.86 0.02 . 2 . . . . 34 LYS HE1 . 15504 1 52 . 1 1 7 7 LYS HE3 H 1 2.86 0.02 . 2 . . . . 34 LYS HE2 . 15504 1 53 . 1 1 7 7 LYS HG2 H 1 1.46 0.02 . 2 . . . . 34 LYS HG1 . 15504 1 54 . 1 1 7 7 LYS HG3 H 1 1.31 0.02 . 2 . . . . 34 LYS HG2 . 15504 1 55 . 1 1 7 7 LYS C C 13 176.06 0.2 . 1 . . . . 34 LYS C . 15504 1 56 . 1 1 7 7 LYS CA C 13 56.14 0.2 . 1 . . . . 34 LYS CA . 15504 1 57 . 1 1 7 7 LYS CB C 13 33.20 0.2 . 1 . . . . 34 LYS CB . 15504 1 58 . 1 1 7 7 LYS CD C 13 29.01 0.2 . 1 . . . . 34 LYS CD . 15504 1 59 . 1 1 7 7 LYS CE C 13 42.15 0.2 . 1 . . . . 34 LYS CE . 15504 1 60 . 1 1 7 7 LYS CG C 13 25.09 0.2 . 1 . . . . 34 LYS CG . 15504 1 61 . 1 1 7 7 LYS N N 15 121.02 0.2 . 1 . . . . 34 LYS N . 15504 1 62 . 1 1 8 8 GLU H H 1 8.55 0.02 . 1 . . . . 35 GLU HN . 15504 1 63 . 1 1 8 8 GLU HA H 1 4.83 0.02 . 1 . . . . 35 GLU HA . 15504 1 64 . 1 1 8 8 GLU HB2 H 1 2.03 0.02 . 2 . . . . 35 GLU HB1 . 15504 1 65 . 1 1 8 8 GLU HB3 H 1 2.03 0.02 . 2 . . . . 35 GLU HB2 . 15504 1 66 . 1 1 8 8 GLU HG2 H 1 2.36 0.02 . 2 . . . . 35 GLU HG1 . 15504 1 67 . 1 1 8 8 GLU HG3 H 1 2.25 0.02 . 2 . . . . 35 GLU HG2 . 15504 1 68 . 1 1 8 8 GLU C C 13 175.05 0.2 . 1 . . . . 35 GLU C . 15504 1 69 . 1 1 8 8 GLU CA C 13 56.39 0.2 . 1 . . . . 35 GLU CA . 15504 1 70 . 1 1 8 8 GLU CB C 13 31.34 0.2 . 1 . . . . 35 GLU CB . 15504 1 71 . 1 1 8 8 GLU CG C 13 36.47 0.2 . 1 . . . . 35 GLU CG . 15504 1 72 . 1 1 8 8 GLU N N 15 122.45 0.2 . 1 . . . . 35 GLU N . 15504 1 73 . 1 1 9 9 TRP H H 1 9.68 0.02 . 1 . . . . 36 TRP HN . 15504 1 74 . 1 1 9 9 TRP HA H 1 4.86 0.02 . 1 . . . . 36 TRP HA . 15504 1 75 . 1 1 9 9 TRP HB2 H 1 3.17 0.02 . 2 . . . . 36 TRP HB1 . 15504 1 76 . 1 1 9 9 TRP HB3 H 1 3.02 0.02 . 2 . . . . 36 TRP HB2 . 15504 1 77 . 1 1 9 9 TRP HD1 H 1 7.82 0.02 . 1 . . . . 36 TRP HD1 . 15504 1 78 . 1 1 9 9 TRP HE1 H 1 10.09 0.02 . 1 . . . . 36 TRP HE1 . 15504 1 79 . 1 1 9 9 TRP HZ2 H 1 7.45 0.02 . 1 . . . . 36 TRP HZ2 . 15504 1 80 . 1 1 9 9 TRP C C 13 175.39 0.2 . 1 . . . . 36 TRP C . 15504 1 81 . 1 1 9 9 TRP CA C 13 55.89 0.2 . 1 . . . . 36 TRP CA . 15504 1 82 . 1 1 9 9 TRP CB C 13 30.81 0.2 . 1 . . . . 36 TRP CB . 15504 1 83 . 1 1 9 9 TRP CD1 C 13 127.74 0.2 . 1 . . . . 36 TRP CD1 . 15504 1 84 . 1 1 9 9 TRP CZ2 C 13 114.01 0.2 . 1 . . . . 36 TRP CZ2 . 15504 1 85 . 1 1 9 9 TRP N N 15 122.80 0.2 . 1 . . . . 36 TRP N . 15504 1 86 . 1 1 9 9 TRP NE1 N 15 128.87 0.2 . 1 . . . . 36 TRP NE1 . 15504 1 87 . 1 1 10 10 HIS H H 1 9.69 0.02 . 1 . . . . 37 HIS HN . 15504 1 88 . 1 1 10 10 HIS HA H 1 4.99 0.02 . 1 . . . . 37 HIS HA . 15504 1 89 . 1 1 10 10 HIS HB2 H 1 3.25 0.02 . 2 . . . . 37 HIS HB1 . 15504 1 90 . 1 1 10 10 HIS HB3 H 1 3.13 0.02 . 2 . . . . 37 HIS HB2 . 15504 1 91 . 1 1 10 10 HIS HD2 H 1 7.24 0.02 . 1 . . . . 37 HIS HD2 . 15504 1 92 . 1 1 10 10 HIS HE1 H 1 8.57 0.02 . 1 . . . . 37 HIS HE1 . 15504 1 93 . 1 1 10 10 HIS C C 13 174.84 0.2 . 1 . . . . 37 HIS C . 15504 1 94 . 1 1 10 10 HIS CA C 13 54.72 0.2 . 1 . . . . 37 HIS CA . 15504 1 95 . 1 1 10 10 HIS CB C 13 29.84 0.2 . 1 . . . . 37 HIS CB . 15504 1 96 . 1 1 10 10 HIS CD2 C 13 119.83 0.2 . 1 . . . . 37 HIS CD2 . 15504 1 97 . 1 1 10 10 HIS CE1 C 13 136.13 0.2 . 1 . . . . 37 HIS CE1 . 15504 1 98 . 1 1 10 10 HIS N N 15 120.40 0.2 . 1 . . . . 37 HIS N . 15504 1 99 . 1 1 11 11 ILE H H 1 7.74 0.02 . 1 . . . . 38 ILE HN . 15504 1 100 . 1 1 11 11 ILE HA H 1 4.36 0.02 . 1 . . . . 38 ILE HA . 15504 1 101 . 1 1 11 11 ILE HB H 1 1.80 0.02 . 1 . . . . 38 ILE HB . 15504 1 102 . 1 1 11 11 ILE HD11 H 1 0.82 0.02 . 1 . . . . 38 ILE HD11 . 15504 1 103 . 1 1 11 11 ILE HD12 H 1 0.82 0.02 . 1 . . . . 38 ILE HD11 . 15504 1 104 . 1 1 11 11 ILE HD13 H 1 0.82 0.02 . 1 . . . . 38 ILE HD11 . 15504 1 105 . 1 1 11 11 ILE HG12 H 1 1.57 0.02 . 2 . . . . 38 ILE HG11 . 15504 1 106 . 1 1 11 11 ILE HG13 H 1 0.69 0.02 . 2 . . . . 38 ILE HG12 . 15504 1 107 . 1 1 11 11 ILE HG21 H 1 0.54 0.02 . 1 . . . . 38 ILE HG21 . 15504 1 108 . 1 1 11 11 ILE HG22 H 1 0.54 0.02 . 1 . . . . 38 ILE HG21 . 15504 1 109 . 1 1 11 11 ILE HG23 H 1 0.54 0.02 . 1 . . . . 38 ILE HG21 . 15504 1 110 . 1 1 11 11 ILE C C 13 175.03 0.2 . 1 . . . . 38 ILE C . 15504 1 111 . 1 1 11 11 ILE CA C 13 62.11 0.2 . 1 . . . . 38 ILE CA . 15504 1 112 . 1 1 11 11 ILE CB C 13 37.59 0.2 . 1 . . . . 38 ILE CB . 15504 1 113 . 1 1 11 11 ILE CD1 C 13 14.27 0.2 . 1 . . . . 38 ILE CD1 . 15504 1 114 . 1 1 11 11 ILE CG1 C 13 26.68 0.2 . 1 . . . . 38 ILE CG1 . 15504 1 115 . 1 1 11 11 ILE CG2 C 13 17.82 0.2 . 1 . . . . 38 ILE CG2 . 15504 1 116 . 1 1 11 11 ILE N N 15 121.70 0.2 . 1 . . . . 38 ILE N . 15504 1 117 . 1 1 12 12 VAL H H 1 9.37 0.02 . 1 . . . . 39 VAL HN . 15504 1 118 . 1 1 12 12 VAL HA H 1 4.69 0.02 . 1 . . . . 39 VAL HA . 15504 1 119 . 1 1 12 12 VAL HB H 1 1.88 0.02 . 1 . . . . 39 VAL HB . 15504 1 120 . 1 1 12 12 VAL HG11 H 1 0.92 0.02 . 2 . . . . 39 VAL HG11 . 15504 1 121 . 1 1 12 12 VAL HG12 H 1 0.92 0.02 . 2 . . . . 39 VAL HG11 . 15504 1 122 . 1 1 12 12 VAL HG13 H 1 0.92 0.02 . 2 . . . . 39 VAL HG11 . 15504 1 123 . 1 1 12 12 VAL HG21 H 1 0.84 0.02 . 2 . . . . 39 VAL HG21 . 15504 1 124 . 1 1 12 12 VAL HG22 H 1 0.84 0.02 . 2 . . . . 39 VAL HG21 . 15504 1 125 . 1 1 12 12 VAL HG23 H 1 0.84 0.02 . 2 . . . . 39 VAL HG21 . 15504 1 126 . 1 1 12 12 VAL CA C 13 58.50 0.2 . 1 . . . . 39 VAL CA . 15504 1 127 . 1 1 12 12 VAL CB C 13 34.97 0.2 . 1 . . . . 39 VAL CB . 15504 1 128 . 1 1 12 12 VAL CG1 C 13 19.96 0.2 . 2 . . . . 39 VAL CG1 . 15504 1 129 . 1 1 12 12 VAL CG2 C 13 20.71 0.2 . 2 . . . . 39 VAL CG2 . 15504 1 130 . 1 1 12 12 VAL N N 15 130.31 0.2 . 1 . . . . 39 VAL N . 15504 1 131 . 1 1 13 13 PRO HA H 1 4.47 0.02 . 1 . . . . 40 PRO HA . 15504 1 132 . 1 1 13 13 PRO HB2 H 1 2.16 0.02 . 2 . . . . 40 PRO HB1 . 15504 1 133 . 1 1 13 13 PRO HB3 H 1 1.77 0.02 . 2 . . . . 40 PRO HB2 . 15504 1 134 . 1 1 13 13 PRO HD2 H 1 3.96 0.02 . 2 . . . . 40 PRO HD1 . 15504 1 135 . 1 1 13 13 PRO HD3 H 1 3.54 0.02 . 2 . . . . 40 PRO HD2 . 15504 1 136 . 1 1 13 13 PRO HG2 H 1 2.17 0.02 . 2 . . . . 40 PRO HG1 . 15504 1 137 . 1 1 13 13 PRO HG3 H 1 2.17 0.02 . 2 . . . . 40 PRO HG2 . 15504 1 138 . 1 1 13 13 PRO C C 13 175.07 0.2 . 1 . . . . 40 PRO C . 15504 1 139 . 1 1 13 13 PRO CA C 13 63.13 0.2 . 1 . . . . 40 PRO CA . 15504 1 140 . 1 1 13 13 PRO CB C 13 33.58 0.2 . 1 . . . . 40 PRO CB . 15504 1 141 . 1 1 13 13 PRO CD C 13 50.50 0.2 . 1 . . . . 40 PRO CD . 15504 1 142 . 1 1 13 13 PRO CG C 13 27.01 0.2 . 1 . . . . 40 PRO CG . 15504 1 143 . 1 1 14 14 VAL H H 1 7.97 0.02 . 1 . . . . 41 VAL HN . 15504 1 144 . 1 1 14 14 VAL HA H 1 4.17 0.02 . 1 . . . . 41 VAL HA . 15504 1 145 . 1 1 14 14 VAL HB H 1 1.41 0.02 . 1 . . . . 41 VAL HB . 15504 1 146 . 1 1 14 14 VAL HG11 H 1 0.85 0.02 . 2 . . . . 41 VAL HG11 . 15504 1 147 . 1 1 14 14 VAL HG12 H 1 0.85 0.02 . 2 . . . . 41 VAL HG11 . 15504 1 148 . 1 1 14 14 VAL HG13 H 1 0.85 0.02 . 2 . . . . 41 VAL HG11 . 15504 1 149 . 1 1 14 14 VAL HG21 H 1 0.69 0.02 . 2 . . . . 41 VAL HG21 . 15504 1 150 . 1 1 14 14 VAL HG22 H 1 0.69 0.02 . 2 . . . . 41 VAL HG21 . 15504 1 151 . 1 1 14 14 VAL HG23 H 1 0.69 0.02 . 2 . . . . 41 VAL HG21 . 15504 1 152 . 1 1 14 14 VAL C C 13 175.36 0.2 . 1 . . . . 41 VAL C . 15504 1 153 . 1 1 14 14 VAL CA C 13 63.60 0.2 . 1 . . . . 41 VAL CA . 15504 1 154 . 1 1 14 14 VAL CB C 13 34.05 0.2 . 1 . . . . 41 VAL CB . 15504 1 155 . 1 1 14 14 VAL CG1 C 13 20.90 0.2 . 2 . . . . 41 VAL CG1 . 15504 1 156 . 1 1 14 14 VAL CG2 C 13 20.90 0.2 . 2 . . . . 41 VAL CG2 . 15504 1 157 . 1 1 14 14 VAL N N 15 119.00 0.2 . 1 . . . . 41 VAL N . 15504 1 158 . 1 1 15 15 SER H H 1 8.04 0.02 . 1 . . . . 42 SER HN . 15504 1 159 . 1 1 15 15 SER HA H 1 4.53 0.02 . 1 . . . . 42 SER HA . 15504 1 160 . 1 1 15 15 SER HB2 H 1 4.29 0.02 . 2 . . . . 42 SER HB1 . 15504 1 161 . 1 1 15 15 SER HB3 H 1 3.98 0.02 . 2 . . . . 42 SER HB2 . 15504 1 162 . 1 1 15 15 SER C C 13 176.24 0.2 . 1 . . . . 42 SER C . 15504 1 163 . 1 1 15 15 SER CA C 13 57.62 0.2 . 1 . . . . 42 SER CA . 15504 1 164 . 1 1 15 15 SER CB C 13 64.25 0.2 . 1 . . . . 42 SER CB . 15504 1 165 . 1 1 15 15 SER N N 15 113.90 0.2 . 1 . . . . 42 SER N . 15504 1 166 . 1 1 16 16 LYS H H 1 8.69 0.02 . 1 . . . . 43 LYS HN . 15504 1 167 . 1 1 16 16 LYS HA H 1 2.83 0.02 . 1 . . . . 43 LYS HA . 15504 1 168 . 1 1 16 16 LYS HB2 H 1 1.60 0.02 . 2 . . . . 43 LYS HB1 . 15504 1 169 . 1 1 16 16 LYS HB3 H 1 1.60 0.02 . 2 . . . . 43 LYS HB2 . 15504 1 170 . 1 1 16 16 LYS HD2 H 1 1.53 0.02 . 2 . . . . 43 LYS HD1 . 15504 1 171 . 1 1 16 16 LYS HD3 H 1 1.53 0.02 . 2 . . . . 43 LYS HD2 . 15504 1 172 . 1 1 16 16 LYS HE2 H 1 2.89 0.02 . 2 . . . . 43 LYS HE1 . 15504 1 173 . 1 1 16 16 LYS HE3 H 1 2.89 0.02 . 2 . . . . 43 LYS HE2 . 15504 1 174 . 1 1 16 16 LYS HG2 H 1 1.26 0.02 . 2 . . . . 43 LYS HG1 . 15504 1 175 . 1 1 16 16 LYS HG3 H 1 1.26 0.02 . 2 . . . . 43 LYS HG2 . 15504 1 176 . 1 1 16 16 LYS C C 13 177.79 0.2 . 1 . . . . 43 LYS C . 15504 1 177 . 1 1 16 16 LYS CA C 13 58.10 0.2 . 1 . . . . 43 LYS CA . 15504 1 178 . 1 1 16 16 LYS CB C 13 31.84 0.2 . 1 . . . . 43 LYS CB . 15504 1 179 . 1 1 16 16 LYS CD C 13 29.10 0.2 . 1 . . . . 43 LYS CD . 15504 1 180 . 1 1 16 16 LYS CE C 13 41.78 0.2 . 1 . . . . 43 LYS CE . 15504 1 181 . 1 1 16 16 LYS CG C 13 24.07 0.2 . 1 . . . . 43 LYS CG . 15504 1 182 . 1 1 16 16 LYS N N 15 124.94 0.2 . 1 . . . . 43 LYS N . 15504 1 183 . 1 1 17 17 ASP H H 1 8.59 0.02 . 1 . . . . 44 ASP HN . 15504 1 184 . 1 1 17 17 ASP HA H 1 4.10 0.02 . 1 . . . . 44 ASP HA . 15504 1 185 . 1 1 17 17 ASP HB2 H 1 2.13 0.02 . 2 . . . . 44 ASP HB1 . 15504 1 186 . 1 1 17 17 ASP HB3 H 1 2.09 0.02 . 2 . . . . 44 ASP HB2 . 15504 1 187 . 1 1 17 17 ASP C C 13 176.67 0.2 . 1 . . . . 44 ASP C . 15504 1 188 . 1 1 17 17 ASP CA C 13 55.58 0.2 . 1 . . . . 44 ASP CA . 15504 1 189 . 1 1 17 17 ASP CB C 13 39.30 0.2 . 1 . . . . 44 ASP CB . 15504 1 190 . 1 1 17 17 ASP N N 15 118.14 0.2 . 1 . . . . 44 ASP N . 15504 1 191 . 1 1 18 18 TYR H H 1 7.87 0.02 . 1 . . . . 45 TYR HN . 15504 1 192 . 1 1 18 18 TYR HA H 1 4.55 0.02 . 1 . . . . 45 TYR HA . 15504 1 193 . 1 1 18 18 TYR HB2 H 1 3.46 0.02 . 2 . . . . 45 TYR HB1 . 15504 1 194 . 1 1 18 18 TYR HB3 H 1 2.49 0.02 . 2 . . . . 45 TYR HB2 . 15504 1 195 . 1 1 18 18 TYR HD1 H 1 6.88 0.02 . 3 . . . . 45 TYR HD1 . 15504 1 196 . 1 1 18 18 TYR HD2 H 1 6.88 0.02 . 3 . . . . 45 TYR HD2 . 15504 1 197 . 1 1 18 18 TYR HE1 H 1 6.65 0.02 . 3 . . . . 45 TYR HE1 . 15504 1 198 . 1 1 18 18 TYR HE2 H 1 6.65 0.02 . 3 . . . . 45 TYR HE2 . 15504 1 199 . 1 1 18 18 TYR C C 13 174.86 0.2 . 1 . . . . 45 TYR C . 15504 1 200 . 1 1 18 18 TYR CA C 13 58.51 0.2 . 1 . . . . 45 TYR CA . 15504 1 201 . 1 1 18 18 TYR CB C 13 39.47 0.2 . 1 . . . . 45 TYR CB . 15504 1 202 . 1 1 18 18 TYR CD1 C 13 132.22 0.2 . 3 . . . . 45 TYR CD1 . 15504 1 203 . 1 1 18 18 TYR CD2 C 13 132.22 0.2 . 3 . . . . 45 TYR CD2 . 15504 1 204 . 1 1 18 18 TYR CE1 C 13 117.79 0.2 . 3 . . . . 45 TYR CE1 . 15504 1 205 . 1 1 18 18 TYR CE2 C 13 117.79 0.2 . 3 . . . . 45 TYR CE2 . 15504 1 206 . 1 1 18 18 TYR N N 15 115.26 0.2 . 1 . . . . 45 TYR N . 15504 1 207 . 1 1 19 19 PHE H H 1 7.43 0.02 . 1 . . . . 46 PHE HN . 15504 1 208 . 1 1 19 19 PHE HA H 1 4.36 0.02 . 1 . . . . 46 PHE HA . 15504 1 209 . 1 1 19 19 PHE HB2 H 1 3.30 0.02 . 2 . . . . 46 PHE HB1 . 15504 1 210 . 1 1 19 19 PHE HB3 H 1 3.22 0.02 . 2 . . . . 46 PHE HB2 . 15504 1 211 . 1 1 19 19 PHE HD1 H 1 7.15 0.02 . 3 . . . . 46 PHE HD1 . 15504 1 212 . 1 1 19 19 PHE HD2 H 1 7.15 0.02 . 3 . . . . 46 PHE HD2 . 15504 1 213 . 1 1 19 19 PHE HE1 H 1 7.22 0.02 . 3 . . . . 46 PHE HE1 . 15504 1 214 . 1 1 19 19 PHE HE2 H 1 7.22 0.02 . 3 . . . . 46 PHE HE2 . 15504 1 215 . 1 1 19 19 PHE C C 13 176.95 0.2 . 1 . . . . 46 PHE C . 15504 1 216 . 1 1 19 19 PHE CA C 13 59.34 0.2 . 1 . . . . 46 PHE CA . 15504 1 217 . 1 1 19 19 PHE CB C 13 37.87 0.2 . 1 . . . . 46 PHE CB . 15504 1 218 . 1 1 19 19 PHE CD1 C 13 130.23 0.2 . 3 . . . . 46 PHE CD1 . 15504 1 219 . 1 1 19 19 PHE CD2 C 13 130.23 0.2 . 3 . . . . 46 PHE CD2 . 15504 1 220 . 1 1 19 19 PHE CE1 C 13 131.47 0.2 . 3 . . . . 46 PHE CE1 . 15504 1 221 . 1 1 19 19 PHE CE2 C 13 131.47 0.2 . 3 . . . . 46 PHE CE2 . 15504 1 222 . 1 1 19 19 PHE N N 15 120.02 0.2 . 1 . . . . 46 PHE N . 15504 1 223 . 1 1 20 20 SER H H 1 8.62 0.02 . 1 . . . . 47 SER HN . 15504 1 224 . 1 1 20 20 SER HA H 1 4.43 0.02 . 1 . . . . 47 SER HA . 15504 1 225 . 1 1 20 20 SER HB2 H 1 3.80 0.02 . 2 . . . . 47 SER HB1 . 15504 1 226 . 1 1 20 20 SER HB3 H 1 3.59 0.02 . 2 . . . . 47 SER HB2 . 15504 1 227 . 1 1 20 20 SER C C 13 173.98 0.2 . 1 . . . . 47 SER C . 15504 1 228 . 1 1 20 20 SER CA C 13 58.66 0.2 . 1 . . . . 47 SER CA . 15504 1 229 . 1 1 20 20 SER CB C 13 62.85 0.2 . 1 . . . . 47 SER CB . 15504 1 230 . 1 1 20 20 SER N N 15 111.50 0.2 . 1 . . . . 47 SER N . 15504 1 231 . 1 1 21 21 ILE H H 1 7.66 0.02 . 1 . . . . 48 ILE HN . 15504 1 232 . 1 1 21 21 ILE HA H 1 4.11 0.02 . 1 . . . . 48 ILE HA . 15504 1 233 . 1 1 21 21 ILE HB H 1 1.95 0.02 . 1 . . . . 48 ILE HB . 15504 1 234 . 1 1 21 21 ILE HD11 H 1 0.68 0.02 . 1 . . . . 48 ILE HD11 . 15504 1 235 . 1 1 21 21 ILE HD12 H 1 0.68 0.02 . 1 . . . . 48 ILE HD11 . 15504 1 236 . 1 1 21 21 ILE HD13 H 1 0.68 0.02 . 1 . . . . 48 ILE HD11 . 15504 1 237 . 1 1 21 21 ILE HG12 H 1 1.61 0.02 . 2 . . . . 48 ILE HG11 . 15504 1 238 . 1 1 21 21 ILE HG13 H 1 1.45 0.02 . 2 . . . . 48 ILE HG12 . 15504 1 239 . 1 1 21 21 ILE HG21 H 1 0.97 0.02 . 1 . . . . 48 ILE HG21 . 15504 1 240 . 1 1 21 21 ILE HG22 H 1 0.97 0.02 . 1 . . . . 48 ILE HG21 . 15504 1 241 . 1 1 21 21 ILE HG23 H 1 0.97 0.02 . 1 . . . . 48 ILE HG21 . 15504 1 242 . 1 1 21 21 ILE CA C 13 59.78 0.2 . 1 . . . . 48 ILE CA . 15504 1 243 . 1 1 21 21 ILE CB C 13 38.33 0.2 . 1 . . . . 48 ILE CB . 15504 1 244 . 1 1 21 21 ILE CD1 C 13 14.00 0.2 . 1 . . . . 48 ILE CD1 . 15504 1 245 . 1 1 21 21 ILE CG1 C 13 26.90 0.2 . 1 . . . . 48 ILE CG1 . 15504 1 246 . 1 1 21 21 ILE CG2 C 13 17.73 0.2 . 1 . . . . 48 ILE CG2 . 15504 1 247 . 1 1 21 21 ILE N N 15 119.38 0.2 . 1 . . . . 48 ILE N . 15504 1 248 . 1 1 22 22 PRO HA H 1 4.50 0.02 . 1 . . . . 49 PRO HA . 15504 1 249 . 1 1 22 22 PRO HB2 H 1 2.64 0.02 . 2 . . . . 49 PRO HB1 . 15504 1 250 . 1 1 22 22 PRO HB3 H 1 2.10 0.02 . 2 . . . . 49 PRO HB2 . 15504 1 251 . 1 1 22 22 PRO HD2 H 1 3.57 0.02 . 2 . . . . 49 PRO HD1 . 15504 1 252 . 1 1 22 22 PRO HD3 H 1 3.38 0.02 . 2 . . . . 49 PRO HD2 . 15504 1 253 . 1 1 22 22 PRO HG2 H 1 2.10 0.02 . 2 . . . . 49 PRO HG1 . 15504 1 254 . 1 1 22 22 PRO HG3 H 1 1.94 0.02 . 2 . . . . 49 PRO HG2 . 15504 1 255 . 1 1 22 22 PRO C C 13 176.11 0.2 . 1 . . . . 49 PRO C . 15504 1 256 . 1 1 22 22 PRO CA C 13 62.88 0.2 . 1 . . . . 49 PRO CA . 15504 1 257 . 1 1 22 22 PRO CB C 13 32.57 0.2 . 1 . . . . 49 PRO CB . 15504 1 258 . 1 1 22 22 PRO CD C 13 50.10 0.2 . 1 . . . . 49 PRO CD . 15504 1 259 . 1 1 22 22 PRO CG C 13 28.65 0.2 . 1 . . . . 49 PRO CG . 15504 1 260 . 1 1 23 23 ASN H H 1 8.63 0.02 . 1 . . . . 50 ASN HN . 15504 1 261 . 1 1 23 23 ASN HA H 1 4.80 0.02 . 1 . . . . 50 ASN HA . 15504 1 262 . 1 1 23 23 ASN HB2 H 1 3.17 0.02 . 2 . . . . 50 ASN HB1 . 15504 1 263 . 1 1 23 23 ASN HB3 H 1 2.90 0.02 . 2 . . . . 50 ASN HB2 . 15504 1 264 . 1 1 23 23 ASN HD21 H 1 7.62 0.02 . 1 . . . . 50 ASN HD21 . 15504 1 265 . 1 1 23 23 ASN HD22 H 1 6.87 0.02 . 1 . . . . 50 ASN HD22 . 15504 1 266 . 1 1 23 23 ASN C C 13 176.58 0.2 . 1 . . . . 50 ASN C . 15504 1 267 . 1 1 23 23 ASN CA C 13 53.61 0.2 . 1 . . . . 50 ASN CA . 15504 1 268 . 1 1 23 23 ASN CB C 13 38.49 0.2 . 1 . . . . 50 ASN CB . 15504 1 269 . 1 1 23 23 ASN N N 15 117.59 0.2 . 1 . . . . 50 ASN N . 15504 1 270 . 1 1 23 23 ASN ND2 N 15 111.23 0.2 . 1 . . . . 50 ASN ND2 . 15504 1 271 . 1 1 24 24 ASP H H 1 8.58 0.02 . 1 . . . . 51 ASP HN . 15504 1 272 . 1 1 24 24 ASP HA H 1 4.76 0.02 . 1 . . . . 51 ASP HA . 15504 1 273 . 1 1 24 24 ASP HB2 H 1 3.09 0.02 . 2 . . . . 51 ASP HB1 . 15504 1 274 . 1 1 24 24 ASP HB3 H 1 2.48 0.02 . 2 . . . . 51 ASP HB2 . 15504 1 275 . 1 1 24 24 ASP C C 13 175.09 0.2 . 1 . . . . 51 ASP C . 15504 1 276 . 1 1 24 24 ASP CA C 13 52.50 0.2 . 1 . . . . 51 ASP CA . 15504 1 277 . 1 1 24 24 ASP CB C 13 39.84 0.2 . 1 . . . . 51 ASP CB . 15504 1 278 . 1 1 24 24 ASP N N 15 120.49 0.2 . 1 . . . . 51 ASP N . 15504 1 279 . 1 1 25 25 LEU H H 1 8.40 0.02 . 1 . . . . 52 LEU HN . 15504 1 280 . 1 1 25 25 LEU HA H 1 4.39 0.02 . 1 . . . . 52 LEU HA . 15504 1 281 . 1 1 25 25 LEU HB2 H 1 1.95 0.02 . 2 . . . . 52 LEU HB1 . 15504 1 282 . 1 1 25 25 LEU HB3 H 1 1.24 0.02 . 2 . . . . 52 LEU HB2 . 15504 1 283 . 1 1 25 25 LEU HD11 H 1 0.74 0.02 . 2 . . . . 52 LEU HD11 . 15504 1 284 . 1 1 25 25 LEU HD12 H 1 0.74 0.02 . 2 . . . . 52 LEU HD11 . 15504 1 285 . 1 1 25 25 LEU HD13 H 1 0.74 0.02 . 2 . . . . 52 LEU HD11 . 15504 1 286 . 1 1 25 25 LEU HD21 H 1 0.71 0.02 . 2 . . . . 52 LEU HD21 . 15504 1 287 . 1 1 25 25 LEU HD22 H 1 0.71 0.02 . 2 . . . . 52 LEU HD21 . 15504 1 288 . 1 1 25 25 LEU HD23 H 1 0.71 0.02 . 2 . . . . 52 LEU HD21 . 15504 1 289 . 1 1 25 25 LEU HG H 1 1.64 0.02 . 1 . . . . 52 LEU HG . 15504 1 290 . 1 1 25 25 LEU C C 13 176.34 0.2 . 1 . . . . 52 LEU C . 15504 1 291 . 1 1 25 25 LEU CA C 13 55.46 0.2 . 1 . . . . 52 LEU CA . 15504 1 292 . 1 1 25 25 LEU CB C 13 43.27 0.2 . 1 . . . . 52 LEU CB . 15504 1 293 . 1 1 25 25 LEU CD1 C 13 25.93 0.2 . 2 . . . . 52 LEU CD1 . 15504 1 294 . 1 1 25 25 LEU CD2 C 13 24.25 0.2 . 2 . . . . 52 LEU CD2 . 15504 1 295 . 1 1 25 25 LEU CG C 13 26.68 0.2 . 1 . . . . 52 LEU CG . 15504 1 296 . 1 1 25 25 LEU N N 15 119.53 0.2 . 1 . . . . 52 LEU N . 15504 1 297 . 1 1 26 26 LEU H H 1 8.84 0.02 . 1 . . . . 53 LEU HN . 15504 1 298 . 1 1 26 26 LEU HA H 1 5.14 0.02 . 1 . . . . 53 LEU HA . 15504 1 299 . 1 1 26 26 LEU HB2 H 1 1.09 0.02 . 2 . . . . 53 LEU HB1 . 15504 1 300 . 1 1 26 26 LEU HB3 H 1 0.99 0.02 . 2 . . . . 53 LEU HB2 . 15504 1 301 . 1 1 26 26 LEU HD11 H 1 0.78 0.02 . 2 . . . . 53 LEU HD11 . 15504 1 302 . 1 1 26 26 LEU HD12 H 1 0.78 0.02 . 2 . . . . 53 LEU HD11 . 15504 1 303 . 1 1 26 26 LEU HD13 H 1 0.78 0.02 . 2 . . . . 53 LEU HD11 . 15504 1 304 . 1 1 26 26 LEU HD21 H 1 0.46 0.02 . 2 . . . . 53 LEU HD21 . 15504 1 305 . 1 1 26 26 LEU HD22 H 1 0.46 0.02 . 2 . . . . 53 LEU HD21 . 15504 1 306 . 1 1 26 26 LEU HD23 H 1 0.46 0.02 . 2 . . . . 53 LEU HD21 . 15504 1 307 . 1 1 26 26 LEU HG H 1 1.50 0.02 . 1 . . . . 53 LEU HG . 15504 1 308 . 1 1 26 26 LEU C C 13 174.62 0.2 . 1 . . . . 53 LEU C . 15504 1 309 . 1 1 26 26 LEU CA C 13 52.84 0.2 . 1 . . . . 53 LEU CA . 15504 1 310 . 1 1 26 26 LEU CB C 13 44.07 0.2 . 1 . . . . 53 LEU CB . 15504 1 311 . 1 1 26 26 LEU CD1 C 13 25.46 0.2 . 2 . . . . 53 LEU CD1 . 15504 1 312 . 1 1 26 26 LEU CD2 C 13 22.85 0.2 . 2 . . . . 53 LEU CD2 . 15504 1 313 . 1 1 26 26 LEU CG C 13 26.68 0.2 . 1 . . . . 53 LEU CG . 15504 1 314 . 1 1 26 26 LEU N N 15 126.61 0.2 . 1 . . . . 53 LEU N . 15504 1 315 . 1 1 27 27 TRP H H 1 9.23 0.02 . 1 . . . . 54 TRP HN . 15504 1 316 . 1 1 27 27 TRP HA H 1 5.57 0.02 . 1 . . . . 54 TRP HA . 15504 1 317 . 1 1 27 27 TRP HB2 H 1 2.94 0.02 . 2 . . . . 54 TRP HB1 . 15504 1 318 . 1 1 27 27 TRP HB3 H 1 2.83 0.02 . 2 . . . . 54 TRP HB2 . 15504 1 319 . 1 1 27 27 TRP HD1 H 1 6.11 0.02 . 1 . . . . 54 TRP HD1 . 15504 1 320 . 1 1 27 27 TRP HE1 H 1 5.53 0.02 . 1 . . . . 54 TRP HE1 . 15504 1 321 . 1 1 27 27 TRP HE3 H 1 7.10 0.02 . 1 . . . . 54 TRP HE3 . 15504 1 322 . 1 1 27 27 TRP HH2 H 1 6.78 0.02 . 1 . . . . 54 TRP HH2 . 15504 1 323 . 1 1 27 27 TRP HZ2 H 1 6.59 0.02 . 1 . . . . 54 TRP HZ2 . 15504 1 324 . 1 1 27 27 TRP HZ3 H 1 6.52 0.02 . 1 . . . . 54 TRP HZ3 . 15504 1 325 . 1 1 27 27 TRP C C 13 175.74 0.2 . 1 . . . . 54 TRP C . 15504 1 326 . 1 1 27 27 TRP CA C 13 54.51 0.2 . 1 . . . . 54 TRP CA . 15504 1 327 . 1 1 27 27 TRP CB C 13 31.71 0.2 . 1 . . . . 54 TRP CB . 15504 1 328 . 1 1 27 27 TRP CD1 C 13 124.96 0.2 . 1 . . . . 54 TRP CD1 . 15504 1 329 . 1 1 27 27 TRP CE3 C 13 120.35 0.2 . 1 . . . . 54 TRP CE3 . 15504 1 330 . 1 1 27 27 TRP CH2 C 13 122.31 0.2 . 1 . . . . 54 TRP CH2 . 15504 1 331 . 1 1 27 27 TRP CZ2 C 13 112.43 0.2 . 1 . . . . 54 TRP CZ2 . 15504 1 332 . 1 1 27 27 TRP CZ3 C 13 119.29 0.2 . 1 . . . . 54 TRP CZ3 . 15504 1 333 . 1 1 27 27 TRP N N 15 122.65 0.2 . 1 . . . . 54 TRP N . 15504 1 334 . 1 1 27 27 TRP NE1 N 15 125.09 0.2 . 1 . . . . 54 TRP NE1 . 15504 1 335 . 1 1 28 28 SER H H 1 9.24 0.02 . 1 . . . . 55 SER HN . 15504 1 336 . 1 1 28 28 SER HA H 1 5.49 0.02 . 1 . . . . 55 SER HA . 15504 1 337 . 1 1 28 28 SER HB2 H 1 4.16 0.02 . 2 . . . . 55 SER HB1 . 15504 1 338 . 1 1 28 28 SER HB3 H 1 4.09 0.02 . 2 . . . . 55 SER HB2 . 15504 1 339 . 1 1 28 28 SER C C 13 173.44 0.2 . 1 . . . . 55 SER C . 15504 1 340 . 1 1 28 28 SER CA C 13 56.99 0.2 . 1 . . . . 55 SER CA . 15504 1 341 . 1 1 28 28 SER CB C 13 66.15 0.2 . 1 . . . . 55 SER CB . 15504 1 342 . 1 1 28 28 SER N N 15 121.97 0.2 . 1 . . . . 55 SER N . 15504 1 343 . 1 1 29 29 PHE H H 1 9.59 0.02 . 1 . . . . 56 PHE HN . 15504 1 344 . 1 1 29 29 PHE HA H 1 5.15 0.02 . 1 . . . . 56 PHE HA . 15504 1 345 . 1 1 29 29 PHE HB2 H 1 3.32 0.02 . 2 . . . . 56 PHE HB1 . 15504 1 346 . 1 1 29 29 PHE HB3 H 1 2.92 0.02 . 2 . . . . 56 PHE HB2 . 15504 1 347 . 1 1 29 29 PHE HD1 H 1 7.35 0.02 . 3 . . . . 56 PHE HD1 . 15504 1 348 . 1 1 29 29 PHE HD2 H 1 7.35 0.02 . 3 . . . . 56 PHE HD2 . 15504 1 349 . 1 1 29 29 PHE HE1 H 1 6.33 0.02 . 3 . . . . 56 PHE HE1 . 15504 1 350 . 1 1 29 29 PHE HE2 H 1 6.33 0.02 . 3 . . . . 56 PHE HE2 . 15504 1 351 . 1 1 29 29 PHE HZ H 1 6.30 0.02 . 1 . . . . 56 PHE HZ . 15504 1 352 . 1 1 29 29 PHE C C 13 175.81 0.2 . 1 . . . . 56 PHE C . 15504 1 353 . 1 1 29 29 PHE CA C 13 57.18 0.2 . 1 . . . . 56 PHE CA . 15504 1 354 . 1 1 29 29 PHE CB C 13 42.37 0.2 . 1 . . . . 56 PHE CB . 15504 1 355 . 1 1 29 29 PHE CD1 C 13 133.89 0.2 . 3 . . . . 56 PHE CD1 . 15504 1 356 . 1 1 29 29 PHE CD2 C 13 133.89 0.2 . 3 . . . . 56 PHE CD2 . 15504 1 357 . 1 1 29 29 PHE CE1 C 13 131.00 0.2 . 3 . . . . 56 PHE CE1 . 15504 1 358 . 1 1 29 29 PHE CE2 C 13 131.00 0.2 . 3 . . . . 56 PHE CE2 . 15504 1 359 . 1 1 29 29 PHE CZ C 13 128.34 0.2 . 1 . . . . 56 PHE CZ . 15504 1 360 . 1 1 29 29 PHE N N 15 121.42 0.2 . 1 . . . . 56 PHE N . 15504 1 361 . 1 1 30 30 ASN H H 1 9.40 0.02 . 1 . . . . 57 ASN HN . 15504 1 362 . 1 1 30 30 ASN HA H 1 5.22 0.02 . 1 . . . . 57 ASN HA . 15504 1 363 . 1 1 30 30 ASN HB2 H 1 3.46 0.02 . 2 . . . . 57 ASN HB1 . 15504 1 364 . 1 1 30 30 ASN HB3 H 1 2.67 0.02 . 2 . . . . 57 ASN HB2 . 15504 1 365 . 1 1 30 30 ASN HD21 H 1 7.66 0.02 . 1 . . . . 57 ASN HD21 . 15504 1 366 . 1 1 30 30 ASN HD22 H 1 6.98 0.02 . 1 . . . . 57 ASN HD22 . 15504 1 367 . 1 1 30 30 ASN C C 13 176.54 0.2 . 1 . . . . 57 ASN C . 15504 1 368 . 1 1 30 30 ASN CA C 13 52.32 0.2 . 1 . . . . 57 ASN CA . 15504 1 369 . 1 1 30 30 ASN CB C 13 38.52 0.2 . 1 . . . . 57 ASN CB . 15504 1 370 . 1 1 30 30 ASN N N 15 120.66 0.2 . 1 . . . . 57 ASN N . 15504 1 371 . 1 1 30 30 ASN ND2 N 15 112.86 0.2 . 1 . . . . 57 ASN ND2 . 15504 1 372 . 1 1 31 31 THR H H 1 9.18 0.02 . 1 . . . . 58 THR HN . 15504 1 373 . 1 1 31 31 THR HA H 1 4.80 0.02 . 1 . . . . 58 THR HA . 15504 1 374 . 1 1 31 31 THR HB H 1 4.51 0.02 . 1 . . . . 58 THR HB . 15504 1 375 . 1 1 31 31 THR HG21 H 1 1.33 0.02 . 1 . . . . 58 THR HG21 . 15504 1 376 . 1 1 31 31 THR HG22 H 1 1.33 0.02 . 1 . . . . 58 THR HG21 . 15504 1 377 . 1 1 31 31 THR HG23 H 1 1.33 0.02 . 1 . . . . 58 THR HG21 . 15504 1 378 . 1 1 31 31 THR C C 13 176.95 0.2 . 1 . . . . 58 THR C . 15504 1 379 . 1 1 31 31 THR CA C 13 63.43 0.2 . 1 . . . . 58 THR CA . 15504 1 380 . 1 1 31 31 THR CB C 13 68.11 0.2 . 1 . . . . 58 THR CB . 15504 1 381 . 1 1 31 31 THR CG2 C 13 21.86 0.2 . 1 . . . . 58 THR CG2 . 15504 1 382 . 1 1 31 31 THR N N 15 114.63 0.2 . 1 . . . . 58 THR N . 15504 1 383 . 1 1 32 32 THR H H 1 8.45 0.02 . 1 . . . . 59 THR HN . 15504 1 384 . 1 1 32 32 THR HA H 1 4.13 0.02 . 1 . . . . 59 THR HA . 15504 1 385 . 1 1 32 32 THR HB H 1 4.32 0.02 . 1 . . . . 59 THR HB . 15504 1 386 . 1 1 32 32 THR HG21 H 1 1.23 0.02 . 1 . . . . 59 THR HG21 . 15504 1 387 . 1 1 32 32 THR HG22 H 1 1.23 0.02 . 1 . . . . 59 THR HG21 . 15504 1 388 . 1 1 32 32 THR HG23 H 1 1.23 0.02 . 1 . . . . 59 THR HG21 . 15504 1 389 . 1 1 32 32 THR C C 13 175.13 0.2 . 1 . . . . 59 THR C . 15504 1 390 . 1 1 32 32 THR CA C 13 65.55 0.2 . 1 . . . . 59 THR CA . 15504 1 391 . 1 1 32 32 THR CB C 13 68.20 0.2 . 1 . . . . 59 THR CB . 15504 1 392 . 1 1 32 32 THR CG2 C 13 21.59 0.2 . 1 . . . . 59 THR CG2 . 15504 1 393 . 1 1 32 32 THR N N 15 120.02 0.2 . 1 . . . . 59 THR N . 15504 1 394 . 1 1 33 33 ASN H H 1 7.50 0.02 . 1 . . . . 60 ASN HN . 15504 1 395 . 1 1 33 33 ASN HA H 1 4.69 0.02 . 1 . . . . 60 ASN HA . 15504 1 396 . 1 1 33 33 ASN HB2 H 1 2.70 0.02 . 2 . . . . 60 ASN HB1 . 15504 1 397 . 1 1 33 33 ASN HB3 H 1 2.70 0.02 . 2 . . . . 60 ASN HB2 . 15504 1 398 . 1 1 33 33 ASN HD21 H 1 7.45 0.02 . 1 . . . . 60 ASN HD21 . 15504 1 399 . 1 1 33 33 ASN HD22 H 1 6.73 0.02 . 1 . . . . 60 ASN HD22 . 15504 1 400 . 1 1 33 33 ASN C C 13 174.23 0.2 . 1 . . . . 60 ASN C . 15504 1 401 . 1 1 33 33 ASN CA C 13 51.65 0.2 . 1 . . . . 60 ASN CA . 15504 1 402 . 1 1 33 33 ASN CB C 13 37.87 0.2 . 1 . . . . 60 ASN CB . 15504 1 403 . 1 1 33 33 ASN N N 15 117.49 0.2 . 1 . . . . 60 ASN N . 15504 1 404 . 1 1 33 33 ASN ND2 N 15 110.10 0.2 . 1 . . . . 60 ASN ND2 . 15504 1 405 . 1 1 34 34 LYS H H 1 7.58 0.02 . 1 . . . . 61 LYS HN . 15504 1 406 . 1 1 34 34 LYS HA H 1 3.50 0.02 . 1 . . . . 61 LYS HA . 15504 1 407 . 1 1 34 34 LYS HB2 H 1 1.69 0.02 . 2 . . . . 61 LYS HB1 . 15504 1 408 . 1 1 34 34 LYS HB3 H 1 1.06 0.02 . 2 . . . . 61 LYS HB2 . 15504 1 409 . 1 1 34 34 LYS HD2 H 1 1.59 0.02 . 2 . . . . 61 LYS HD1 . 15504 1 410 . 1 1 34 34 LYS HD3 H 1 1.54 0.02 . 2 . . . . 61 LYS HD2 . 15504 1 411 . 1 1 34 34 LYS HE2 H 1 2.98 0.02 . 2 . . . . 61 LYS HE1 . 15504 1 412 . 1 1 34 34 LYS HE3 H 1 2.98 0.02 . 2 . . . . 61 LYS HE2 . 15504 1 413 . 1 1 34 34 LYS HG2 H 1 1.13 0.02 . 2 . . . . 61 LYS HG1 . 15504 1 414 . 1 1 34 34 LYS HG3 H 1 1.13 0.02 . 2 . . . . 61 LYS HG2 . 15504 1 415 . 1 1 34 34 LYS C C 13 172.88 0.2 . 1 . . . . 61 LYS C . 15504 1 416 . 1 1 34 34 LYS CA C 13 57.16 0.2 . 1 . . . . 61 LYS CA . 15504 1 417 . 1 1 34 34 LYS CB C 13 28.54 0.2 . 1 . . . . 61 LYS CB . 15504 1 418 . 1 1 34 34 LYS CD C 13 29.29 0.2 . 1 . . . . 61 LYS CD . 15504 1 419 . 1 1 34 34 LYS CE C 13 42.23 0.2 . 1 . . . . 61 LYS CE . 15504 1 420 . 1 1 34 34 LYS CG C 13 24.94 0.2 . 1 . . . . 61 LYS CG . 15504 1 421 . 1 1 34 34 LYS N N 15 118.03 0.2 . 1 . . . . 61 LYS N . 15504 1 422 . 1 1 35 35 SER H H 1 8.56 0.02 . 1 . . . . 62 SER HN . 15504 1 423 . 1 1 35 35 SER HA H 1 5.67 0.02 . 1 . . . . 62 SER HA . 15504 1 424 . 1 1 35 35 SER HB2 H 1 3.73 0.02 . 2 . . . . 62 SER HB1 . 15504 1 425 . 1 1 35 35 SER HB3 H 1 3.46 0.02 . 2 . . . . 62 SER HB2 . 15504 1 426 . 1 1 35 35 SER C C 13 173.51 0.2 . 1 . . . . 62 SER C . 15504 1 427 . 1 1 35 35 SER CA C 13 56.11 0.2 . 1 . . . . 62 SER CA . 15504 1 428 . 1 1 35 35 SER CB C 13 67.80 0.2 . 1 . . . . 62 SER CB . 15504 1 429 . 1 1 35 35 SER N N 15 109.72 0.2 . 1 . . . . 62 SER N . 15504 1 430 . 1 1 36 36 ILE H H 1 8.75 0.02 . 1 . . . . 63 ILE HN . 15504 1 431 . 1 1 36 36 ILE HA H 1 4.94 0.02 . 1 . . . . 63 ILE HA . 15504 1 432 . 1 1 36 36 ILE HB H 1 1.14 0.02 . 1 . . . . 63 ILE HB . 15504 1 433 . 1 1 36 36 ILE HD11 H 1 0.44 0.02 . 1 . . . . 63 ILE HD11 . 15504 1 434 . 1 1 36 36 ILE HD12 H 1 0.44 0.02 . 1 . . . . 63 ILE HD11 . 15504 1 435 . 1 1 36 36 ILE HD13 H 1 0.44 0.02 . 1 . . . . 63 ILE HD11 . 15504 1 436 . 1 1 36 36 ILE HG12 H 1 1.10 0.02 . 2 . . . . 63 ILE HG11 . 15504 1 437 . 1 1 36 36 ILE HG13 H 1 1.00 0.02 . 2 . . . . 63 ILE HG12 . 15504 1 438 . 1 1 36 36 ILE HG21 H 1 0.00 0.02 . 1 . . . . 63 ILE HG21 . 15504 1 439 . 1 1 36 36 ILE HG22 H 1 0.00 0.02 . 1 . . . . 63 ILE HG21 . 15504 1 440 . 1 1 36 36 ILE HG23 H 1 0.00 0.02 . 1 . . . . 63 ILE HG21 . 15504 1 441 . 1 1 36 36 ILE C C 13 174.66 0.2 . 1 . . . . 63 ILE C . 15504 1 442 . 1 1 36 36 ILE CA C 13 58.18 0.2 . 1 . . . . 63 ILE CA . 15504 1 443 . 1 1 36 36 ILE CB C 13 40.66 0.2 . 1 . . . . 63 ILE CB . 15504 1 444 . 1 1 36 36 ILE CD1 C 13 13.53 0.2 . 1 . . . . 63 ILE CD1 . 15504 1 445 . 1 1 36 36 ILE CG1 C 13 26.46 0.2 . 1 . . . . 63 ILE CG1 . 15504 1 446 . 1 1 36 36 ILE CG2 C 13 17.86 0.2 . 1 . . . . 63 ILE CG2 . 15504 1 447 . 1 1 36 36 ILE N N 15 117.49 0.2 . 1 . . . . 63 ILE N . 15504 1 448 . 1 1 37 37 ASN H H 1 8.40 0.02 . 1 . . . . 64 ASN HN . 15504 1 449 . 1 1 37 37 ASN HA H 1 5.65 0.02 . 1 . . . . 64 ASN HA . 15504 1 450 . 1 1 37 37 ASN HB2 H 1 2.75 0.02 . 2 . . . . 64 ASN HB1 . 15504 1 451 . 1 1 37 37 ASN HB3 H 1 2.72 0.02 . 2 . . . . 64 ASN HB2 . 15504 1 452 . 1 1 37 37 ASN HD21 H 1 7.36 0.02 . 1 . . . . 64 ASN HD21 . 15504 1 453 . 1 1 37 37 ASN HD22 H 1 6.70 0.02 . 1 . . . . 64 ASN HD22 . 15504 1 454 . 1 1 37 37 ASN C C 13 173.49 0.2 . 1 . . . . 64 ASN C . 15504 1 455 . 1 1 37 37 ASN CA C 13 51.67 0.2 . 1 . . . . 64 ASN CA . 15504 1 456 . 1 1 37 37 ASN CB C 13 41.90 0.2 . 1 . . . . 64 ASN CB . 15504 1 457 . 1 1 37 37 ASN N N 15 122.18 0.2 . 1 . . . . 64 ASN N . 15504 1 458 . 1 1 37 37 ASN ND2 N 15 111.96 0.2 . 1 . . . . 64 ASN ND2 . 15504 1 459 . 1 1 38 38 VAL H H 1 8.90 0.02 . 1 . . . . 65 VAL HN . 15504 1 460 . 1 1 38 38 VAL HA H 1 5.54 0.02 . 1 . . . . 65 VAL HA . 15504 1 461 . 1 1 38 38 VAL HB H 1 1.67 0.02 . 1 . . . . 65 VAL HB . 15504 1 462 . 1 1 38 38 VAL HG11 H 1 0.78 0.02 . 2 . . . . 65 VAL HG11 . 15504 1 463 . 1 1 38 38 VAL HG12 H 1 0.78 0.02 . 2 . . . . 65 VAL HG11 . 15504 1 464 . 1 1 38 38 VAL HG13 H 1 0.78 0.02 . 2 . . . . 65 VAL HG11 . 15504 1 465 . 1 1 38 38 VAL HG21 H 1 0.63 0.02 . 2 . . . . 65 VAL HG21 . 15504 1 466 . 1 1 38 38 VAL HG22 H 1 0.63 0.02 . 2 . . . . 65 VAL HG21 . 15504 1 467 . 1 1 38 38 VAL HG23 H 1 0.63 0.02 . 2 . . . . 65 VAL HG21 . 15504 1 468 . 1 1 38 38 VAL C C 13 174.59 0.2 . 1 . . . . 65 VAL C . 15504 1 469 . 1 1 38 38 VAL CA C 13 60.06 0.2 . 1 . . . . 65 VAL CA . 15504 1 470 . 1 1 38 38 VAL CB C 13 34.87 0.2 . 1 . . . . 65 VAL CB . 15504 1 471 . 1 1 38 38 VAL CG1 C 13 21.08 0.2 . 2 . . . . 65 VAL CG1 . 15504 1 472 . 1 1 38 38 VAL CG2 C 13 22.25 0.2 . 2 . . . . 65 VAL CG2 . 15504 1 473 . 1 1 38 38 VAL N N 15 122.06 0.2 . 1 . . . . 65 VAL N . 15504 1 474 . 1 1 39 39 TYR H H 1 8.91 0.02 . 1 . . . . 66 TYR HN . 15504 1 475 . 1 1 39 39 TYR HA H 1 5.49 0.02 . 1 . . . . 66 TYR HA . 15504 1 476 . 1 1 39 39 TYR HB2 H 1 3.28 0.02 . 2 . . . . 66 TYR HB1 . 15504 1 477 . 1 1 39 39 TYR HB3 H 1 3.12 0.02 . 2 . . . . 66 TYR HB2 . 15504 1 478 . 1 1 39 39 TYR HD1 H 1 6.86 0.02 . 3 . . . . 66 TYR HD1 . 15504 1 479 . 1 1 39 39 TYR HD2 H 1 6.86 0.02 . 3 . . . . 66 TYR HD2 . 15504 1 480 . 1 1 39 39 TYR HE1 H 1 6.70 0.02 . 3 . . . . 66 TYR HE1 . 15504 1 481 . 1 1 39 39 TYR HE2 H 1 6.70 0.02 . 3 . . . . 66 TYR HE2 . 15504 1 482 . 1 1 39 39 TYR C C 13 172.81 0.2 . 1 . . . . 66 TYR C . 15504 1 483 . 1 1 39 39 TYR CA C 13 56.22 0.2 . 1 . . . . 66 TYR CA . 15504 1 484 . 1 1 39 39 TYR CB C 13 40.62 0.2 . 1 . . . . 66 TYR CB . 15504 1 485 . 1 1 39 39 TYR CD1 C 13 133.51 0.2 . 3 . . . . 66 TYR CD1 . 15504 1 486 . 1 1 39 39 TYR CD2 C 13 133.51 0.2 . 3 . . . . 66 TYR CD2 . 15504 1 487 . 1 1 39 39 TYR CE1 C 13 117.97 0.2 . 3 . . . . 66 TYR CE1 . 15504 1 488 . 1 1 39 39 TYR CE2 C 13 117.97 0.2 . 3 . . . . 66 TYR CE2 . 15504 1 489 . 1 1 39 39 TYR N N 15 123.53 0.2 . 1 . . . . 66 TYR N . 15504 1 490 . 1 1 40 40 SER H H 1 8.97 0.02 . 1 . . . . 67 SER HN . 15504 1 491 . 1 1 40 40 SER HA H 1 4.78 0.02 . 1 . . . . 67 SER HA . 15504 1 492 . 1 1 40 40 SER HB2 H 1 4.11 0.02 . 2 . . . . 67 SER HB1 . 15504 1 493 . 1 1 40 40 SER HB3 H 1 3.98 0.02 . 2 . . . . 67 SER HB2 . 15504 1 494 . 1 1 40 40 SER HG H 1 6.19 0.02 . 1 . . . . 67 SER HG . 15504 1 495 . 1 1 40 40 SER C C 13 174.36 0.2 . 1 . . . . 67 SER C . 15504 1 496 . 1 1 40 40 SER CA C 13 56.58 0.2 . 1 . . . . 67 SER CA . 15504 1 497 . 1 1 40 40 SER CB C 13 66.29 0.2 . 1 . . . . 67 SER CB . 15504 1 498 . 1 1 40 40 SER N N 15 115.21 0.2 . 1 . . . . 67 SER N . 15504 1 499 . 1 1 41 41 LYS H H 1 9.02 0.02 . 1 . . . . 68 LYS HN . 15504 1 500 . 1 1 41 41 LYS HA H 1 4.21 0.02 . 1 . . . . 68 LYS HA . 15504 1 501 . 1 1 41 41 LYS HB2 H 1 1.95 0.02 . 2 . . . . 68 LYS HB1 . 15504 1 502 . 1 1 41 41 LYS HB3 H 1 1.87 0.02 . 2 . . . . 68 LYS HB2 . 15504 1 503 . 1 1 41 41 LYS HD2 H 1 1.68 0.02 . 2 . . . . 68 LYS HD1 . 15504 1 504 . 1 1 41 41 LYS HD3 H 1 1.68 0.02 . 2 . . . . 68 LYS HD2 . 15504 1 505 . 1 1 41 41 LYS HE2 H 1 2.98 0.02 . 2 . . . . 68 LYS HE1 . 15504 1 506 . 1 1 41 41 LYS HE3 H 1 2.98 0.02 . 2 . . . . 68 LYS HE2 . 15504 1 507 . 1 1 41 41 LYS HG2 H 1 1.44 0.02 . 2 . . . . 68 LYS HG1 . 15504 1 508 . 1 1 41 41 LYS HG3 H 1 1.40 0.02 . 2 . . . . 68 LYS HG2 . 15504 1 509 . 1 1 41 41 LYS C C 13 177.73 0.2 . 1 . . . . 68 LYS C . 15504 1 510 . 1 1 41 41 LYS CA C 13 59.24 0.2 . 1 . . . . 68 LYS CA . 15504 1 511 . 1 1 41 41 LYS CB C 13 31.66 0.2 . 1 . . . . 68 LYS CB . 15504 1 512 . 1 1 41 41 LYS CD C 13 29.25 0.2 . 1 . . . . 68 LYS CD . 15504 1 513 . 1 1 41 41 LYS CE C 13 41.98 0.2 . 1 . . . . 68 LYS CE . 15504 1 514 . 1 1 41 41 LYS CG C 13 24.36 0.2 . 1 . . . . 68 LYS CG . 15504 1 515 . 1 1 41 41 LYS N N 15 118.79 0.2 . 1 . . . . 68 LYS N . 15504 1 516 . 1 1 42 42 CYS H H 1 8.09 0.02 . 1 . . . . 69 CYS HN . 15504 1 517 . 1 1 42 42 CYS HA H 1 4.75 0.02 . 1 . . . . 69 CYS HA . 15504 1 518 . 1 1 42 42 CYS HB2 H 1 2.46 0.02 . 2 . . . . 69 CYS HB1 . 15504 1 519 . 1 1 42 42 CYS HB3 H 1 1.93 0.02 . 2 . . . . 69 CYS HB2 . 15504 1 520 . 1 1 42 42 CYS C C 13 173.26 0.2 . 1 . . . . 69 CYS C . 15504 1 521 . 1 1 42 42 CYS CA C 13 52.78 0.2 . 1 . . . . 69 CYS CA . 15504 1 522 . 1 1 42 42 CYS CB C 13 39.47 0.2 . 1 . . . . 69 CYS CB . 15504 1 523 . 1 1 42 42 CYS N N 15 113.65 0.2 . 1 . . . . 69 CYS N . 15504 1 524 . 1 1 43 43 ILE H H 1 7.55 0.02 . 1 . . . . 70 ILE HN . 15504 1 525 . 1 1 43 43 ILE HA H 1 5.21 0.02 . 1 . . . . 70 ILE HA . 15504 1 526 . 1 1 43 43 ILE HB H 1 1.88 0.02 . 1 . . . . 70 ILE HB . 15504 1 527 . 1 1 43 43 ILE HD11 H 1 1.06 0.02 . 1 . . . . 70 ILE HD11 . 15504 1 528 . 1 1 43 43 ILE HD12 H 1 1.06 0.02 . 1 . . . . 70 ILE HD11 . 15504 1 529 . 1 1 43 43 ILE HD13 H 1 1.06 0.02 . 1 . . . . 70 ILE HD11 . 15504 1 530 . 1 1 43 43 ILE HG12 H 1 1.61 0.02 . 2 . . . . 70 ILE HG11 . 15504 1 531 . 1 1 43 43 ILE HG13 H 1 1.03 0.02 . 2 . . . . 70 ILE HG12 . 15504 1 532 . 1 1 43 43 ILE HG21 H 1 0.96 0.02 . 1 . . . . 70 ILE HG21 . 15504 1 533 . 1 1 43 43 ILE HG22 H 1 0.96 0.02 . 1 . . . . 70 ILE HG21 . 15504 1 534 . 1 1 43 43 ILE HG23 H 1 0.96 0.02 . 1 . . . . 70 ILE HG21 . 15504 1 535 . 1 1 43 43 ILE C C 13 171.87 0.2 . 1 . . . . 70 ILE C . 15504 1 536 . 1 1 43 43 ILE CA C 13 59.80 0.2 . 1 . . . . 70 ILE CA . 15504 1 537 . 1 1 43 43 ILE CB C 13 42.55 0.2 . 1 . . . . 70 ILE CB . 15504 1 538 . 1 1 43 43 ILE CD1 C 13 15.30 0.2 . 1 . . . . 70 ILE CD1 . 15504 1 539 . 1 1 43 43 ILE CG1 C 13 29.57 0.2 . 1 . . . . 70 ILE CG1 . 15504 1 540 . 1 1 43 43 ILE CG2 C 13 15.77 0.2 . 1 . . . . 70 ILE CG2 . 15504 1 541 . 1 1 43 43 ILE N N 15 118.58 0.2 . 1 . . . . 70 ILE N . 15504 1 542 . 1 1 44 44 SER H H 1 8.19 0.02 . 1 . . . . 71 SER HN . 15504 1 543 . 1 1 44 44 SER HA H 1 5.19 0.02 . 1 . . . . 71 SER HA . 15504 1 544 . 1 1 44 44 SER HB2 H 1 3.94 0.02 . 2 . . . . 71 SER HB1 . 15504 1 545 . 1 1 44 44 SER HB3 H 1 3.88 0.02 . 2 . . . . 71 SER HB2 . 15504 1 546 . 1 1 44 44 SER C C 13 173.79 0.2 . 1 . . . . 71 SER C . 15504 1 547 . 1 1 44 44 SER CA C 13 56.98 0.2 . 1 . . . . 71 SER CA . 15504 1 548 . 1 1 44 44 SER CB C 13 64.91 0.2 . 1 . . . . 71 SER CB . 15504 1 549 . 1 1 44 44 SER N N 15 117.64 0.2 . 1 . . . . 71 SER N . 15504 1 550 . 1 1 45 45 GLY H H 1 9.72 0.02 . 1 . . . . 72 GLY HN . 15504 1 551 . 1 1 45 45 GLY HA2 H 1 5.28 0.02 . 2 . . . . 72 GLY HA1 . 15504 1 552 . 1 1 45 45 GLY HA3 H 1 3.46 0.02 . 2 . . . . 72 GLY HA2 . 15504 1 553 . 1 1 45 45 GLY C C 13 171.30 0.2 . 1 . . . . 72 GLY C . 15504 1 554 . 1 1 45 45 GLY CA C 13 45.23 0.2 . 1 . . . . 72 GLY CA . 15504 1 555 . 1 1 45 45 GLY N N 15 114.16 0.2 . 1 . . . . 72 GLY N . 15504 1 556 . 1 1 46 46 LYS H H 1 8.34 0.02 . 1 . . . . 73 LYS HN . 15504 1 557 . 1 1 46 46 LYS HA H 1 5.53 0.02 . 1 . . . . 73 LYS HA . 15504 1 558 . 1 1 46 46 LYS HB2 H 1 1.73 0.02 . 2 . . . . 73 LYS HB1 . 15504 1 559 . 1 1 46 46 LYS HB3 H 1 1.73 0.02 . 2 . . . . 73 LYS HB2 . 15504 1 560 . 1 1 46 46 LYS HD2 H 1 1.57 0.02 . 2 . . . . 73 LYS HD1 . 15504 1 561 . 1 1 46 46 LYS HD3 H 1 1.57 0.02 . 2 . . . . 73 LYS HD2 . 15504 1 562 . 1 1 46 46 LYS HE2 H 1 2.84 0.02 . 2 . . . . 73 LYS HE1 . 15504 1 563 . 1 1 46 46 LYS HE3 H 1 2.84 0.02 . 2 . . . . 73 LYS HE2 . 15504 1 564 . 1 1 46 46 LYS HG2 H 1 1.37 0.02 . 2 . . . . 73 LYS HG1 . 15504 1 565 . 1 1 46 46 LYS HG3 H 1 1.32 0.02 . 2 . . . . 73 LYS HG2 . 15504 1 566 . 1 1 46 46 LYS C C 13 174.51 0.2 . 1 . . . . 73 LYS C . 15504 1 567 . 1 1 46 46 LYS CA C 13 54.93 0.2 . 1 . . . . 73 LYS CA . 15504 1 568 . 1 1 46 46 LYS CB C 13 36.42 0.2 . 1 . . . . 73 LYS CB . 15504 1 569 . 1 1 46 46 LYS CD C 13 29.33 0.2 . 1 . . . . 73 LYS CD . 15504 1 570 . 1 1 46 46 LYS CE C 13 41.79 0.2 . 1 . . . . 73 LYS CE . 15504 1 571 . 1 1 46 46 LYS CG C 13 24.51 0.2 . 1 . . . . 73 LYS CG . 15504 1 572 . 1 1 46 46 LYS N N 15 123.52 0.2 . 1 . . . . 73 LYS N . 15504 1 573 . 1 1 47 47 ALA H H 1 8.44 0.02 . 1 . . . . 74 ALA HN . 15504 1 574 . 1 1 47 47 ALA HA H 1 4.40 0.02 . 1 . . . . 74 ALA HA . 15504 1 575 . 1 1 47 47 ALA HB1 H 1 -0.46 0.02 . 1 . . . . 74 ALA HB1 . 15504 1 576 . 1 1 47 47 ALA HB2 H 1 -0.46 0.02 . 1 . . . . 74 ALA HB1 . 15504 1 577 . 1 1 47 47 ALA HB3 H 1 -0.46 0.02 . 1 . . . . 74 ALA HB1 . 15504 1 578 . 1 1 47 47 ALA C C 13 175.85 0.2 . 1 . . . . 74 ALA C . 15504 1 579 . 1 1 47 47 ALA CA C 13 49.86 0.2 . 1 . . . . 74 ALA CA . 15504 1 580 . 1 1 47 47 ALA CB C 13 20.75 0.2 . 1 . . . . 74 ALA CB . 15504 1 581 . 1 1 47 47 ALA N N 15 125.71 0.2 . 1 . . . . 74 ALA N . 15504 1 582 . 1 1 48 48 VAL H H 1 7.84 0.02 . 1 . . . . 75 VAL HN . 15504 1 583 . 1 1 48 48 VAL HA H 1 4.64 0.02 . 1 . . . . 75 VAL HA . 15504 1 584 . 1 1 48 48 VAL HB H 1 1.77 0.02 . 1 . . . . 75 VAL HB . 15504 1 585 . 1 1 48 48 VAL HG11 H 1 0.82 0.02 . 2 . . . . 75 VAL HG11 . 15504 1 586 . 1 1 48 48 VAL HG12 H 1 0.82 0.02 . 2 . . . . 75 VAL HG11 . 15504 1 587 . 1 1 48 48 VAL HG13 H 1 0.82 0.02 . 2 . . . . 75 VAL HG11 . 15504 1 588 . 1 1 48 48 VAL HG21 H 1 0.82 0.02 . 2 . . . . 75 VAL HG21 . 15504 1 589 . 1 1 48 48 VAL HG22 H 1 0.82 0.02 . 2 . . . . 75 VAL HG21 . 15504 1 590 . 1 1 48 48 VAL HG23 H 1 0.82 0.02 . 2 . . . . 75 VAL HG21 . 15504 1 591 . 1 1 48 48 VAL C C 13 176.66 0.2 . 1 . . . . 75 VAL C . 15504 1 592 . 1 1 48 48 VAL CA C 13 61.16 0.2 . 1 . . . . 75 VAL CA . 15504 1 593 . 1 1 48 48 VAL CB C 13 32.18 0.2 . 1 . . . . 75 VAL CB . 15504 1 594 . 1 1 48 48 VAL CG1 C 13 20.79 0.2 . 2 . . . . 75 VAL CG1 . 15504 1 595 . 1 1 48 48 VAL CG2 C 13 20.79 0.2 . 2 . . . . 75 VAL CG2 . 15504 1 596 . 1 1 48 48 VAL N N 15 120.66 0.2 . 1 . . . . 75 VAL N . 15504 1 597 . 1 1 49 49 TYR H H 1 8.34 0.02 . 1 . . . . 76 TYR HN . 15504 1 598 . 1 1 49 49 TYR HA H 1 5.23 0.02 . 1 . . . . 76 TYR HA . 15504 1 599 . 1 1 49 49 TYR HB2 H 1 2.43 0.02 . 2 . . . . 76 TYR HB1 . 15504 1 600 . 1 1 49 49 TYR HB3 H 1 1.99 0.02 . 2 . . . . 76 TYR HB2 . 15504 1 601 . 1 1 49 49 TYR HD1 H 1 6.56 0.02 . 3 . . . . 76 TYR HD1 . 15504 1 602 . 1 1 49 49 TYR HD2 H 1 6.56 0.02 . 3 . . . . 76 TYR HD2 . 15504 1 603 . 1 1 49 49 TYR HE1 H 1 6.79 0.02 . 3 . . . . 76 TYR HE1 . 15504 1 604 . 1 1 49 49 TYR HE2 H 1 6.79 0.02 . 3 . . . . 76 TYR HE2 . 15504 1 605 . 1 1 49 49 TYR C C 13 173.48 0.2 . 1 . . . . 76 TYR C . 15504 1 606 . 1 1 49 49 TYR CA C 13 54.94 0.2 . 1 . . . . 76 TYR CA . 15504 1 607 . 1 1 49 49 TYR CB C 13 42.03 0.2 . 1 . . . . 76 TYR CB . 15504 1 608 . 1 1 49 49 TYR CD1 C 13 133.56 0.2 . 3 . . . . 76 TYR CD1 . 15504 1 609 . 1 1 49 49 TYR CD2 C 13 133.56 0.2 . 3 . . . . 76 TYR CD2 . 15504 1 610 . 1 1 49 49 TYR CE1 C 13 117.52 0.2 . 3 . . . . 76 TYR CE1 . 15504 1 611 . 1 1 49 49 TYR CE2 C 13 117.52 0.2 . 3 . . . . 76 TYR CE2 . 15504 1 612 . 1 1 49 49 TYR N N 15 126.51 0.2 . 1 . . . . 76 TYR N . 15504 1 613 . 1 1 50 50 SER H H 1 8.36 0.02 . 1 . . . . 77 SER HN . 15504 1 614 . 1 1 50 50 SER HA H 1 4.56 0.02 . 1 . . . . 77 SER HA . 15504 1 615 . 1 1 50 50 SER HB2 H 1 3.78 0.02 . 2 . . . . 77 SER HB1 . 15504 1 616 . 1 1 50 50 SER HB3 H 1 3.78 0.02 . 2 . . . . 77 SER HB2 . 15504 1 617 . 1 1 50 50 SER C C 13 171.18 0.2 . 1 . . . . 77 SER C . 15504 1 618 . 1 1 50 50 SER CA C 13 56.89 0.2 . 1 . . . . 77 SER CA . 15504 1 619 . 1 1 50 50 SER CB C 13 65.65 0.2 . 1 . . . . 77 SER CB . 15504 1 620 . 1 1 50 50 SER N N 15 111.30 0.2 . 1 . . . . 77 SER N . 15504 1 621 . 1 1 51 51 PHE H H 1 8.66 0.02 . 1 . . . . 78 PHE HN . 15504 1 622 . 1 1 51 51 PHE HA H 1 5.86 0.02 . 1 . . . . 78 PHE HA . 15504 1 623 . 1 1 51 51 PHE HB2 H 1 2.95 0.02 . 2 . . . . 78 PHE HB1 . 15504 1 624 . 1 1 51 51 PHE HB3 H 1 2.95 0.02 . 2 . . . . 78 PHE HB2 . 15504 1 625 . 1 1 51 51 PHE HD1 H 1 7.07 0.02 . 3 . . . . 78 PHE HD1 . 15504 1 626 . 1 1 51 51 PHE HD2 H 1 7.07 0.02 . 3 . . . . 78 PHE HD2 . 15504 1 627 . 1 1 51 51 PHE HE1 H 1 7.24 0.02 . 3 . . . . 78 PHE HE1 . 15504 1 628 . 1 1 51 51 PHE HE2 H 1 7.24 0.02 . 3 . . . . 78 PHE HE2 . 15504 1 629 . 1 1 51 51 PHE HZ H 1 6.79 0.02 . 1 . . . . 78 PHE HZ . 15504 1 630 . 1 1 51 51 PHE C C 13 176.80 0.2 . 1 . . . . 78 PHE C . 15504 1 631 . 1 1 51 51 PHE CA C 13 56.09 0.2 . 1 . . . . 78 PHE CA . 15504 1 632 . 1 1 51 51 PHE CB C 13 42.28 0.2 . 1 . . . . 78 PHE CB . 15504 1 633 . 1 1 51 51 PHE CD1 C 13 131.88 0.2 . 3 . . . . 78 PHE CD1 . 15504 1 634 . 1 1 51 51 PHE CD2 C 13 131.88 0.2 . 3 . . . . 78 PHE CD2 . 15504 1 635 . 1 1 51 51 PHE CE1 C 13 130.38 0.2 . 3 . . . . 78 PHE CE1 . 15504 1 636 . 1 1 51 51 PHE CE2 C 13 130.38 0.2 . 3 . . . . 78 PHE CE2 . 15504 1 637 . 1 1 51 51 PHE CZ C 13 129.36 0.2 . 1 . . . . 78 PHE CZ . 15504 1 638 . 1 1 51 51 PHE N N 15 116.71 0.2 . 1 . . . . 78 PHE N . 15504 1 639 . 1 1 52 52 ASN H H 1 9.19 0.02 . 1 . . . . 79 ASN HN . 15504 1 640 . 1 1 52 52 ASN HA H 1 4.90 0.02 . 1 . . . . 79 ASN HA . 15504 1 641 . 1 1 52 52 ASN HB2 H 1 2.75 0.02 . 2 . . . . 79 ASN HB1 . 15504 1 642 . 1 1 52 52 ASN HB3 H 1 2.71 0.02 . 2 . . . . 79 ASN HB2 . 15504 1 643 . 1 1 52 52 ASN HD21 H 1 7.51 0.02 . 1 . . . . 79 ASN HD21 . 15504 1 644 . 1 1 52 52 ASN HD22 H 1 6.99 0.02 . 1 . . . . 79 ASN HD22 . 15504 1 645 . 1 1 52 52 ASN C C 13 174.87 0.2 . 1 . . . . 79 ASN C . 15504 1 646 . 1 1 52 52 ASN CA C 13 53.30 0.2 . 1 . . . . 79 ASN CA . 15504 1 647 . 1 1 52 52 ASN CB C 13 41.35 0.2 . 1 . . . . 79 ASN CB . 15504 1 648 . 1 1 52 52 ASN N N 15 119.62 0.2 . 1 . . . . 79 ASN N . 15504 1 649 . 1 1 52 52 ASN ND2 N 15 113.38 0.2 . 1 . . . . 79 ASN ND2 . 15504 1 650 . 1 1 53 53 ALA H H 1 9.65 0.02 . 1 . . . . 80 ALA HN . 15504 1 651 . 1 1 53 53 ALA HA H 1 4.11 0.02 . 1 . . . . 80 ALA HA . 15504 1 652 . 1 1 53 53 ALA HB1 H 1 1.42 0.02 . 1 . . . . 80 ALA HB1 . 15504 1 653 . 1 1 53 53 ALA HB2 H 1 1.42 0.02 . 1 . . . . 80 ALA HB1 . 15504 1 654 . 1 1 53 53 ALA HB3 H 1 1.42 0.02 . 1 . . . . 80 ALA HB1 . 15504 1 655 . 1 1 53 53 ALA C C 13 176.80 0.2 . 1 . . . . 80 ALA C . 15504 1 656 . 1 1 53 53 ALA CA C 13 52.86 0.2 . 1 . . . . 80 ALA CA . 15504 1 657 . 1 1 53 53 ALA CB C 13 16.76 0.2 . 1 . . . . 80 ALA CB . 15504 1 658 . 1 1 53 53 ALA N N 15 131.21 0.2 . 1 . . . . 80 ALA N . 15504 1 659 . 1 1 54 54 GLY H H 1 8.85 0.02 . 1 . . . . 81 GLY HN . 15504 1 660 . 1 1 54 54 GLY HA2 H 1 4.32 0.02 . 2 . . . . 81 GLY HA1 . 15504 1 661 . 1 1 54 54 GLY HA3 H 1 4.22 0.02 . 2 . . . . 81 GLY HA2 . 15504 1 662 . 1 1 54 54 GLY C C 13 173.95 0.2 . 1 . . . . 81 GLY C . 15504 1 663 . 1 1 54 54 GLY CA C 13 45.32 0.2 . 1 . . . . 81 GLY CA . 15504 1 664 . 1 1 54 54 GLY N N 15 104.57 0.2 . 1 . . . . 81 GLY N . 15504 1 665 . 1 1 55 55 LYS H H 1 8.03 0.02 . 1 . . . . 82 LYS HN . 15504 1 666 . 1 1 55 55 LYS HA H 1 4.91 0.02 . 1 . . . . 82 LYS HA . 15504 1 667 . 1 1 55 55 LYS HB2 H 1 2.05 0.02 . 2 . . . . 82 LYS HB1 . 15504 1 668 . 1 1 55 55 LYS HB3 H 1 1.61 0.02 . 2 . . . . 82 LYS HB2 . 15504 1 669 . 1 1 55 55 LYS HD2 H 1 1.57 0.02 . 2 . . . . 82 LYS HD1 . 15504 1 670 . 1 1 55 55 LYS HD3 H 1 1.57 0.02 . 2 . . . . 82 LYS HD2 . 15504 1 671 . 1 1 55 55 LYS HE2 H 1 3.00 0.02 . 2 . . . . 82 LYS HE1 . 15504 1 672 . 1 1 55 55 LYS HE3 H 1 3.00 0.02 . 2 . . . . 82 LYS HE2 . 15504 1 673 . 1 1 55 55 LYS HG2 H 1 1.31 0.02 . 2 . . . . 82 LYS HG1 . 15504 1 674 . 1 1 55 55 LYS HG3 H 1 1.31 0.02 . 2 . . . . 82 LYS HG2 . 15504 1 675 . 1 1 55 55 LYS C C 13 174.12 0.2 . 1 . . . . 82 LYS C . 15504 1 676 . 1 1 55 55 LYS CA C 13 54.35 0.2 . 1 . . . . 82 LYS CA . 15504 1 677 . 1 1 55 55 LYS CB C 13 34.01 0.2 . 1 . . . . 82 LYS CB . 15504 1 678 . 1 1 55 55 LYS CD C 13 28.94 0.2 . 1 . . . . 82 LYS CD . 15504 1 679 . 1 1 55 55 LYS CE C 13 42.09 0.2 . 1 . . . . 82 LYS CE . 15504 1 680 . 1 1 55 55 LYS CG C 13 24.98 0.2 . 1 . . . . 82 LYS CG . 15504 1 681 . 1 1 55 55 LYS N N 15 120.23 0.2 . 1 . . . . 82 LYS N . 15504 1 682 . 1 1 56 56 PHE H H 1 9.39 0.02 . 1 . . . . 83 PHE HN . 15504 1 683 . 1 1 56 56 PHE HA H 1 4.25 0.02 . 1 . . . . 83 PHE HA . 15504 1 684 . 1 1 56 56 PHE HB2 H 1 2.67 0.02 . 2 . . . . 83 PHE HB1 . 15504 1 685 . 1 1 56 56 PHE HB3 H 1 2.67 0.02 . 2 . . . . 83 PHE HB2 . 15504 1 686 . 1 1 56 56 PHE HD1 H 1 6.34 0.02 . 3 . . . . 83 PHE HD1 . 15504 1 687 . 1 1 56 56 PHE HD2 H 1 6.34 0.02 . 3 . . . . 83 PHE HD2 . 15504 1 688 . 1 1 56 56 PHE HE1 H 1 6.57 0.02 . 3 . . . . 83 PHE HE1 . 15504 1 689 . 1 1 56 56 PHE HE2 H 1 6.57 0.02 . 3 . . . . 83 PHE HE2 . 15504 1 690 . 1 1 56 56 PHE HZ H 1 6.77 0.02 . 1 . . . . 83 PHE HZ . 15504 1 691 . 1 1 56 56 PHE C C 13 173.87 0.2 . 1 . . . . 83 PHE C . 15504 1 692 . 1 1 56 56 PHE CA C 13 56.63 0.2 . 1 . . . . 83 PHE CA . 15504 1 693 . 1 1 56 56 PHE CB C 13 40.94 0.2 . 1 . . . . 83 PHE CB . 15504 1 694 . 1 1 56 56 PHE CD1 C 13 131.76 0.2 . 3 . . . . 83 PHE CD1 . 15504 1 695 . 1 1 56 56 PHE CD2 C 13 131.76 0.2 . 3 . . . . 83 PHE CD2 . 15504 1 696 . 1 1 56 56 PHE CE1 C 13 129.33 0.2 . 3 . . . . 83 PHE CE1 . 15504 1 697 . 1 1 56 56 PHE CE2 C 13 129.33 0.2 . 3 . . . . 83 PHE CE2 . 15504 1 698 . 1 1 56 56 PHE CZ C 13 128.00 0.2 . 1 . . . . 83 PHE CZ . 15504 1 699 . 1 1 56 56 PHE N N 15 125.15 0.2 . 1 . . . . 83 PHE N . 15504 1 700 . 1 1 57 57 MET H H 1 8.27 0.02 . 1 . . . . 84 MET HN . 15504 1 701 . 1 1 57 57 MET HA H 1 5.14 0.02 . 1 . . . . 84 MET HA . 15504 1 702 . 1 1 57 57 MET HB2 H 1 1.82 0.02 . 2 . . . . 84 MET HB1 . 15504 1 703 . 1 1 57 57 MET HB3 H 1 1.82 0.02 . 2 . . . . 84 MET HB2 . 15504 1 704 . 1 1 57 57 MET HE1 H 1 1.98 0.02 . 1 . . . . 84 MET HE1 . 15504 1 705 . 1 1 57 57 MET HE2 H 1 1.98 0.02 . 1 . . . . 84 MET HE1 . 15504 1 706 . 1 1 57 57 MET HE3 H 1 1.98 0.02 . 1 . . . . 84 MET HE1 . 15504 1 707 . 1 1 57 57 MET HG2 H 1 2.28 0.02 . 2 . . . . 84 MET HG1 . 15504 1 708 . 1 1 57 57 MET HG3 H 1 2.23 0.02 . 2 . . . . 84 MET HG2 . 15504 1 709 . 1 1 57 57 MET C C 13 174.09 0.2 . 1 . . . . 84 MET C . 15504 1 710 . 1 1 57 57 MET CA C 13 53.60 0.2 . 1 . . . . 84 MET CA . 15504 1 711 . 1 1 57 57 MET CB C 13 36.19 0.2 . 1 . . . . 84 MET CB . 15504 1 712 . 1 1 57 57 MET CE C 13 16.98 0.2 . 1 . . . . 84 MET CE . 15504 1 713 . 1 1 57 57 MET CG C 13 31.17 0.2 . 1 . . . . 84 MET CG . 15504 1 714 . 1 1 57 57 MET N N 15 124.27 0.2 . 1 . . . . 84 MET N . 15504 1 715 . 1 1 58 58 GLY H H 1 7.42 0.02 . 1 . . . . 85 GLY HN . 15504 1 716 . 1 1 58 58 GLY HA2 H 1 3.90 0.02 . 2 . . . . 85 GLY HA1 . 15504 1 717 . 1 1 58 58 GLY HA3 H 1 2.79 0.02 . 2 . . . . 85 GLY HA2 . 15504 1 718 . 1 1 58 58 GLY C C 13 169.90 0.2 . 1 . . . . 85 GLY C . 15504 1 719 . 1 1 58 58 GLY CA C 13 45.62 0.2 . 1 . . . . 85 GLY CA . 15504 1 720 . 1 1 58 58 GLY N N 15 103.44 0.2 . 1 . . . . 85 GLY N . 15504 1 721 . 1 1 59 59 ASN H H 1 8.41 0.02 . 1 . . . . 86 ASN HN . 15504 1 722 . 1 1 59 59 ASN HA H 1 4.89 0.02 . 1 . . . . 86 ASN HA . 15504 1 723 . 1 1 59 59 ASN HB2 H 1 2.84 0.02 . 2 . . . . 86 ASN HB1 . 15504 1 724 . 1 1 59 59 ASN HB3 H 1 2.61 0.02 . 2 . . . . 86 ASN HB2 . 15504 1 725 . 1 1 59 59 ASN HD21 H 1 7.45 0.02 . 1 . . . . 86 ASN HD21 . 15504 1 726 . 1 1 59 59 ASN HD22 H 1 6.83 0.02 . 1 . . . . 86 ASN HD22 . 15504 1 727 . 1 1 59 59 ASN C C 13 174.65 0.2 . 1 . . . . 86 ASN C . 15504 1 728 . 1 1 59 59 ASN CA C 13 51.11 0.2 . 1 . . . . 86 ASN CA . 15504 1 729 . 1 1 59 59 ASN CB C 13 38.14 0.2 . 1 . . . . 86 ASN CB . 15504 1 730 . 1 1 59 59 ASN N N 15 122.27 0.2 . 1 . . . . 86 ASN N . 15504 1 731 . 1 1 59 59 ASN ND2 N 15 110.91 0.2 . 1 . . . . 86 ASN ND2 . 15504 1 732 . 1 1 60 60 PHE H H 1 8.87 0.02 . 1 . . . . 87 PHE HN . 15504 1 733 . 1 1 60 60 PHE HA H 1 4.12 0.02 . 1 . . . . 87 PHE HA . 15504 1 734 . 1 1 60 60 PHE HB2 H 1 2.59 0.02 . 2 . . . . 87 PHE HB1 . 15504 1 735 . 1 1 60 60 PHE HB3 H 1 1.84 0.02 . 2 . . . . 87 PHE HB2 . 15504 1 736 . 1 1 60 60 PHE HD1 H 1 6.94 0.02 . 3 . . . . 87 PHE HD1 . 15504 1 737 . 1 1 60 60 PHE HD2 H 1 6.94 0.02 . 3 . . . . 87 PHE HD2 . 15504 1 738 . 1 1 60 60 PHE HE1 H 1 6.77 0.02 . 3 . . . . 87 PHE HE1 . 15504 1 739 . 1 1 60 60 PHE HE2 H 1 6.77 0.02 . 3 . . . . 87 PHE HE2 . 15504 1 740 . 1 1 60 60 PHE HZ H 1 6.36 0.02 . 1 . . . . 87 PHE HZ . 15504 1 741 . 1 1 60 60 PHE C C 13 175.62 0.2 . 1 . . . . 87 PHE C . 15504 1 742 . 1 1 60 60 PHE CA C 13 58.85 0.2 . 1 . . . . 87 PHE CA . 15504 1 743 . 1 1 60 60 PHE CB C 13 39.91 0.2 . 1 . . . . 87 PHE CB . 15504 1 744 . 1 1 60 60 PHE CD1 C 13 131.84 0.2 . 3 . . . . 87 PHE CD1 . 15504 1 745 . 1 1 60 60 PHE CD2 C 13 131.84 0.2 . 3 . . . . 87 PHE CD2 . 15504 1 746 . 1 1 60 60 PHE CE1 C 13 130.70 0.2 . 3 . . . . 87 PHE CE1 . 15504 1 747 . 1 1 60 60 PHE CE2 C 13 130.70 0.2 . 3 . . . . 87 PHE CE2 . 15504 1 748 . 1 1 60 60 PHE CZ C 13 128.71 0.2 . 1 . . . . 87 PHE CZ . 15504 1 749 . 1 1 60 60 PHE N N 15 123.42 0.2 . 1 . . . . 87 PHE N . 15504 1 750 . 1 1 61 61 ASN H H 1 8.61 0.02 . 1 . . . . 88 ASN HN . 15504 1 751 . 1 1 61 61 ASN HA H 1 4.90 0.02 . 1 . . . . 88 ASN HA . 15504 1 752 . 1 1 61 61 ASN HB2 H 1 2.75 0.02 . 2 . . . . 88 ASN HB1 . 15504 1 753 . 1 1 61 61 ASN HB3 H 1 2.75 0.02 . 2 . . . . 88 ASN HB2 . 15504 1 754 . 1 1 61 61 ASN HD21 H 1 7.59 0.02 . 1 . . . . 88 ASN HD21 . 15504 1 755 . 1 1 61 61 ASN HD22 H 1 6.89 0.02 . 1 . . . . 88 ASN HD22 . 15504 1 756 . 1 1 61 61 ASN C C 13 175.09 0.2 . 1 . . . . 88 ASN C . 15504 1 757 . 1 1 61 61 ASN CA C 13 52.69 0.2 . 1 . . . . 88 ASN CA . 15504 1 758 . 1 1 61 61 ASN CB C 13 39.83 0.2 . 1 . . . . 88 ASN CB . 15504 1 759 . 1 1 61 61 ASN N N 15 121.52 0.2 . 1 . . . . 88 ASN N . 15504 1 760 . 1 1 61 61 ASN ND2 N 15 112.88 0.2 . 1 . . . . 88 ASN ND2 . 15504 1 761 . 1 1 62 62 VAL H H 1 8.89 0.02 . 1 . . . . 89 VAL HN . 15504 1 762 . 1 1 62 62 VAL HA H 1 4.82 0.02 . 1 . . . . 89 VAL HA . 15504 1 763 . 1 1 62 62 VAL HB H 1 1.78 0.02 . 1 . . . . 89 VAL HB . 15504 1 764 . 1 1 62 62 VAL HG11 H 1 0.55 0.02 . 2 . . . . 89 VAL HG11 . 15504 1 765 . 1 1 62 62 VAL HG12 H 1 0.55 0.02 . 2 . . . . 89 VAL HG11 . 15504 1 766 . 1 1 62 62 VAL HG13 H 1 0.55 0.02 . 2 . . . . 89 VAL HG11 . 15504 1 767 . 1 1 62 62 VAL HG21 H 1 0.38 0.02 . 2 . . . . 89 VAL HG21 . 15504 1 768 . 1 1 62 62 VAL HG22 H 1 0.38 0.02 . 2 . . . . 89 VAL HG21 . 15504 1 769 . 1 1 62 62 VAL HG23 H 1 0.38 0.02 . 2 . . . . 89 VAL HG21 . 15504 1 770 . 1 1 62 62 VAL C C 13 174.65 0.2 . 1 . . . . 89 VAL C . 15504 1 771 . 1 1 62 62 VAL CA C 13 60.87 0.2 . 1 . . . . 89 VAL CA . 15504 1 772 . 1 1 62 62 VAL CB C 13 34.69 0.2 . 1 . . . . 89 VAL CB . 15504 1 773 . 1 1 62 62 VAL CG1 C 13 21.57 0.2 . 2 . . . . 89 VAL CG1 . 15504 1 774 . 1 1 62 62 VAL CG2 C 13 20.03 0.2 . 2 . . . . 89 VAL CG2 . 15504 1 775 . 1 1 62 62 VAL N N 15 123.75 0.2 . 1 . . . . 89 VAL N . 15504 1 776 . 1 1 63 63 LYS H H 1 8.75 0.02 . 1 . . . . 90 LYS HN . 15504 1 777 . 1 1 63 63 LYS HA H 1 4.67 0.02 . 1 . . . . 90 LYS HA . 15504 1 778 . 1 1 63 63 LYS HB2 H 1 1.80 0.02 . 2 . . . . 90 LYS HB1 . 15504 1 779 . 1 1 63 63 LYS HB3 H 1 1.69 0.02 . 2 . . . . 90 LYS HB2 . 15504 1 780 . 1 1 63 63 LYS HD2 H 1 1.70 0.02 . 2 . . . . 90 LYS HD1 . 15504 1 781 . 1 1 63 63 LYS HD3 H 1 1.70 0.02 . 2 . . . . 90 LYS HD2 . 15504 1 782 . 1 1 63 63 LYS HE2 H 1 2.96 0.02 . 2 . . . . 90 LYS HE1 . 15504 1 783 . 1 1 63 63 LYS HE3 H 1 2.96 0.02 . 2 . . . . 90 LYS HE2 . 15504 1 784 . 1 1 63 63 LYS HG2 H 1 1.38 0.02 . 2 . . . . 90 LYS HG1 . 15504 1 785 . 1 1 63 63 LYS HG3 H 1 1.34 0.02 . 2 . . . . 90 LYS HG2 . 15504 1 786 . 1 1 63 63 LYS C C 13 174.99 0.2 . 1 . . . . 90 LYS C . 15504 1 787 . 1 1 63 63 LYS CA C 13 55.01 0.2 . 1 . . . . 90 LYS CA . 15504 1 788 . 1 1 63 63 LYS CB C 13 34.03 0.2 . 1 . . . . 90 LYS CB . 15504 1 789 . 1 1 63 63 LYS CD C 13 28.81 0.2 . 1 . . . . 90 LYS CD . 15504 1 790 . 1 1 63 63 LYS CE C 13 41.96 0.2 . 1 . . . . 90 LYS CE . 15504 1 791 . 1 1 63 63 LYS CG C 13 24.45 0.2 . 1 . . . . 90 LYS CG . 15504 1 792 . 1 1 63 63 LYS N N 15 126.21 0.2 . 1 . . . . 90 LYS N . 15504 1 793 . 1 1 64 64 GLU H H 1 9.17 0.02 . 1 . . . . 91 GLU HN . 15504 1 794 . 1 1 64 64 GLU HA H 1 5.02 0.02 . 1 . . . . 91 GLU HA . 15504 1 795 . 1 1 64 64 GLU HB2 H 1 1.99 0.02 . 2 . . . . 91 GLU HB1 . 15504 1 796 . 1 1 64 64 GLU HB3 H 1 1.99 0.02 . 2 . . . . 91 GLU HB2 . 15504 1 797 . 1 1 64 64 GLU HG2 H 1 2.23 0.02 . 2 . . . . 91 GLU HG1 . 15504 1 798 . 1 1 64 64 GLU HG3 H 1 2.16 0.02 . 2 . . . . 91 GLU HG2 . 15504 1 799 . 1 1 64 64 GLU C C 13 175.68 0.2 . 1 . . . . 91 GLU C . 15504 1 800 . 1 1 64 64 GLU CA C 13 54.40 0.2 . 1 . . . . 91 GLU CA . 15504 1 801 . 1 1 64 64 GLU CB C 13 32.69 0.2 . 1 . . . . 91 GLU CB . 15504 1 802 . 1 1 64 64 GLU CG C 13 36.10 0.2 . 1 . . . . 91 GLU CG . 15504 1 803 . 1 1 64 64 GLU N N 15 128.50 0.2 . 1 . . . . 91 GLU N . 15504 1 804 . 1 1 65 65 VAL H H 1 8.33 0.02 . 1 . . . . 92 VAL HN . 15504 1 805 . 1 1 65 65 VAL HA H 1 3.88 0.02 . 1 . . . . 92 VAL HA . 15504 1 806 . 1 1 65 65 VAL HB H 1 1.84 0.02 . 1 . . . . 92 VAL HB . 15504 1 807 . 1 1 65 65 VAL HG11 H 1 0.94 0.02 . 2 . . . . 92 VAL HG11 . 15504 1 808 . 1 1 65 65 VAL HG12 H 1 0.94 0.02 . 2 . . . . 92 VAL HG11 . 15504 1 809 . 1 1 65 65 VAL HG13 H 1 0.94 0.02 . 2 . . . . 92 VAL HG11 . 15504 1 810 . 1 1 65 65 VAL HG21 H 1 0.90 0.02 . 2 . . . . 92 VAL HG21 . 15504 1 811 . 1 1 65 65 VAL HG22 H 1 0.90 0.02 . 2 . . . . 92 VAL HG21 . 15504 1 812 . 1 1 65 65 VAL HG23 H 1 0.90 0.02 . 2 . . . . 92 VAL HG21 . 15504 1 813 . 1 1 65 65 VAL C C 13 175.94 0.2 . 1 . . . . 92 VAL C . 15504 1 814 . 1 1 65 65 VAL CA C 13 62.29 0.2 . 1 . . . . 92 VAL CA . 15504 1 815 . 1 1 65 65 VAL CB C 13 32.08 0.2 . 1 . . . . 92 VAL CB . 15504 1 816 . 1 1 65 65 VAL CG1 C 13 21.27 0.2 . 2 . . . . 92 VAL CG1 . 15504 1 817 . 1 1 65 65 VAL CG2 C 13 20.61 0.2 . 2 . . . . 92 VAL CG2 . 15504 1 818 . 1 1 65 65 VAL N N 15 126.87 0.2 . 1 . . . . 92 VAL N . 15504 1 819 . 1 1 66 66 ASP H H 1 8.81 0.02 . 1 . . . . 93 ASP HN . 15504 1 820 . 1 1 66 66 ASP HA H 1 4.44 0.02 . 1 . . . . 93 ASP HA . 15504 1 821 . 1 1 66 66 ASP HB2 H 1 2.60 0.02 . 2 . . . . 93 ASP HB1 . 15504 1 822 . 1 1 66 66 ASP HB3 H 1 2.60 0.02 . 2 . . . . 93 ASP HB2 . 15504 1 823 . 1 1 66 66 ASP C C 13 177.33 0.2 . 1 . . . . 93 ASP C . 15504 1 824 . 1 1 66 66 ASP CA C 13 55.95 0.2 . 1 . . . . 93 ASP CA . 15504 1 825 . 1 1 66 66 ASP CB C 13 40.76 0.2 . 1 . . . . 93 ASP CB . 15504 1 826 . 1 1 66 66 ASP N N 15 130.72 0.2 . 1 . . . . 93 ASP N . 15504 1 827 . 1 1 67 67 GLY H H 1 8.91 0.02 . 1 . . . . 94 GLY HN . 15504 1 828 . 1 1 67 67 GLY HA2 H 1 4.02 0.02 . 2 . . . . 94 GLY HA1 . 15504 1 829 . 1 1 67 67 GLY HA3 H 1 3.82 0.02 . 2 . . . . 94 GLY HA2 . 15504 1 830 . 1 1 67 67 GLY C C 13 173.53 0.2 . 1 . . . . 94 GLY C . 15504 1 831 . 1 1 67 67 GLY CA C 13 45.83 0.2 . 1 . . . . 94 GLY CA . 15504 1 832 . 1 1 67 67 GLY N N 15 112.76 0.2 . 1 . . . . 94 GLY N . 15504 1 833 . 1 1 68 68 CYS H H 1 7.54 0.02 . 1 . . . . 95 CYS HN . 15504 1 834 . 1 1 68 68 CYS HA H 1 4.26 0.02 . 1 . . . . 95 CYS HA . 15504 1 835 . 1 1 68 68 CYS HB2 H 1 2.67 0.02 . 2 . . . . 95 CYS HB1 . 15504 1 836 . 1 1 68 68 CYS HB3 H 1 2.52 0.02 . 2 . . . . 95 CYS HB2 . 15504 1 837 . 1 1 68 68 CYS C C 13 175.64 0.2 . 1 . . . . 95 CYS C . 15504 1 838 . 1 1 68 68 CYS CA C 13 58.28 0.2 . 1 . . . . 95 CYS CA . 15504 1 839 . 1 1 68 68 CYS CB C 13 38.24 0.2 . 1 . . . . 95 CYS CB . 15504 1 840 . 1 1 68 68 CYS N N 15 119.70 0.2 . 1 . . . . 95 CYS N . 15504 1 841 . 1 1 69 69 PHE H H 1 8.85 0.02 . 1 . . . . 96 PHE HN . 15504 1 842 . 1 1 69 69 PHE HA H 1 5.01 0.02 . 1 . . . . 96 PHE HA . 15504 1 843 . 1 1 69 69 PHE HB2 H 1 3.33 0.02 . 2 . . . . 96 PHE HB1 . 15504 1 844 . 1 1 69 69 PHE HB3 H 1 2.86 0.02 . 2 . . . . 96 PHE HB2 . 15504 1 845 . 1 1 69 69 PHE HD1 H 1 7.36 0.02 . 3 . . . . 96 PHE HD1 . 15504 1 846 . 1 1 69 69 PHE HD2 H 1 7.26 0.02 . 3 . . . . 96 PHE HD2 . 15504 1 847 . 1 1 69 69 PHE HE1 H 1 6.94 0.02 . 3 . . . . 96 PHE HE1 . 15504 1 848 . 1 1 69 69 PHE HE2 H 1 6.94 0.02 . 3 . . . . 96 PHE HE2 . 15504 1 849 . 1 1 69 69 PHE HZ H 1 6.58 0.02 . 1 . . . . 96 PHE HZ . 15504 1 850 . 1 1 69 69 PHE C C 13 177.33 0.2 . 1 . . . . 96 PHE C . 15504 1 851 . 1 1 69 69 PHE CA C 13 56.46 0.2 . 1 . . . . 96 PHE CA . 15504 1 852 . 1 1 69 69 PHE CB C 13 40.02 0.2 . 1 . . . . 96 PHE CB . 15504 1 853 . 1 1 69 69 PHE CD1 C 13 131.23 0.2 . 3 . . . . 96 PHE CD1 . 15504 1 854 . 1 1 69 69 PHE CD2 C 13 131.23 0.2 . 3 . . . . 96 PHE CD2 . 15504 1 855 . 1 1 69 69 PHE CE1 C 13 128.80 0.2 . 3 . . . . 96 PHE CE1 . 15504 1 856 . 1 1 69 69 PHE CE2 C 13 128.80 0.2 . 3 . . . . 96 PHE CE2 . 15504 1 857 . 1 1 69 69 PHE CZ C 13 129.30 0.2 . 1 . . . . 96 PHE CZ . 15504 1 858 . 1 1 69 69 PHE N N 15 117.79 0.2 . 1 . . . . 96 PHE N . 15504 1 859 . 1 1 70 70 MET H H 1 8.71 0.02 . 1 . . . . 97 MET HN . 15504 1 860 . 1 1 70 70 MET HA H 1 4.70 0.02 . 1 . . . . 97 MET HA . 15504 1 861 . 1 1 70 70 MET HB2 H 1 2.37 0.02 . 2 . . . . 97 MET HB1 . 15504 1 862 . 1 1 70 70 MET HB3 H 1 1.96 0.02 . 2 . . . . 97 MET HB2 . 15504 1 863 . 1 1 70 70 MET HE1 H 1 2.16 0.02 . 1 . . . . 97 MET HE1 . 15504 1 864 . 1 1 70 70 MET HE2 H 1 2.16 0.02 . 1 . . . . 97 MET HE1 . 15504 1 865 . 1 1 70 70 MET HE3 H 1 2.16 0.02 . 1 . . . . 97 MET HE1 . 15504 1 866 . 1 1 70 70 MET HG2 H 1 2.78 0.02 . 2 . . . . 97 MET HG1 . 15504 1 867 . 1 1 70 70 MET HG3 H 1 2.67 0.02 . 2 . . . . 97 MET HG2 . 15504 1 868 . 1 1 70 70 MET C C 13 177.65 0.2 . 1 . . . . 97 MET C . 15504 1 869 . 1 1 70 70 MET CA C 13 54.57 0.2 . 1 . . . . 97 MET CA . 15504 1 870 . 1 1 70 70 MET CB C 13 33.99 0.2 . 1 . . . . 97 MET CB . 15504 1 871 . 1 1 70 70 MET CE C 13 17.40 0.2 . 1 . . . . 97 MET CE . 15504 1 872 . 1 1 70 70 MET CG C 13 32.37 0.2 . 1 . . . . 97 MET CG . 15504 1 873 . 1 1 70 70 MET N N 15 119.89 0.2 . 1 . . . . 97 MET N . 15504 1 874 . 1 1 71 71 ASP H H 1 8.98 0.02 . 1 . . . . 98 ASP HN . 15504 1 875 . 1 1 71 71 ASP HA H 1 4.28 0.02 . 1 . . . . 98 ASP HA . 15504 1 876 . 1 1 71 71 ASP HB2 H 1 2.67 0.02 . 2 . . . . 98 ASP HB1 . 15504 1 877 . 1 1 71 71 ASP HB3 H 1 2.67 0.02 . 2 . . . . 98 ASP HB2 . 15504 1 878 . 1 1 71 71 ASP C C 13 177.92 0.2 . 1 . . . . 98 ASP C . 15504 1 879 . 1 1 71 71 ASP CA C 13 58.38 0.2 . 1 . . . . 98 ASP CA . 15504 1 880 . 1 1 71 71 ASP CB C 13 40.10 0.2 . 1 . . . . 98 ASP CB . 15504 1 881 . 1 1 71 71 ASP N N 15 123.44 0.2 . 1 . . . . 98 ASP N . 15504 1 882 . 1 1 72 72 ALA H H 1 8.95 0.02 . 1 . . . . 99 ALA HN . 15504 1 883 . 1 1 72 72 ALA HA H 1 4.03 0.02 . 1 . . . . 99 ALA HA . 15504 1 884 . 1 1 72 72 ALA HB1 H 1 1.42 0.02 . 1 . . . . 99 ALA HB1 . 15504 1 885 . 1 1 72 72 ALA HB2 H 1 1.42 0.02 . 1 . . . . 99 ALA HB1 . 15504 1 886 . 1 1 72 72 ALA HB3 H 1 1.42 0.02 . 1 . . . . 99 ALA HB1 . 15504 1 887 . 1 1 72 72 ALA C C 13 180.74 0.2 . 1 . . . . 99 ALA C . 15504 1 888 . 1 1 72 72 ALA CA C 13 55.02 0.2 . 1 . . . . 99 ALA CA . 15504 1 889 . 1 1 72 72 ALA CB C 13 18.28 0.2 . 1 . . . . 99 ALA CB . 15504 1 890 . 1 1 72 72 ALA N N 15 119.20 0.2 . 1 . . . . 99 ALA N . 15504 1 891 . 1 1 73 73 GLN H H 1 7.12 0.02 . 1 . . . . 100 GLN HN . 15504 1 892 . 1 1 73 73 GLN HA H 1 4.02 0.02 . 1 . . . . 100 GLN HA . 15504 1 893 . 1 1 73 73 GLN HB2 H 1 2.56 0.02 . 2 . . . . 100 GLN HB1 . 15504 1 894 . 1 1 73 73 GLN HB3 H 1 1.54 0.02 . 2 . . . . 100 GLN HB2 . 15504 1 895 . 1 1 73 73 GLN HE21 H 1 7.95 0.02 . 1 . . . . 100 GLN HE21 . 15504 1 896 . 1 1 73 73 GLN HE22 H 1 7.24 0.02 . 1 . . . . 100 GLN HE22 . 15504 1 897 . 1 1 73 73 GLN HG2 H 1 2.80 0.02 . 2 . . . . 100 GLN HG1 . 15504 1 898 . 1 1 73 73 GLN HG3 H 1 2.53 0.02 . 2 . . . . 100 GLN HG2 . 15504 1 899 . 1 1 73 73 GLN C C 13 176.88 0.2 . 1 . . . . 100 GLN C . 15504 1 900 . 1 1 73 73 GLN CA C 13 57.72 0.2 . 1 . . . . 100 GLN CA . 15504 1 901 . 1 1 73 73 GLN CB C 13 28.94 0.2 . 1 . . . . 100 GLN CB . 15504 1 902 . 1 1 73 73 GLN CG C 13 33.60 0.2 . 1 . . . . 100 GLN CG . 15504 1 903 . 1 1 73 73 GLN N N 15 115.38 0.2 . 1 . . . . 100 GLN N . 15504 1 904 . 1 1 73 73 GLN NE2 N 15 113.54 0.2 . 1 . . . . 100 GLN NE2 . 15504 1 905 . 1 1 74 74 LYS H H 1 7.76 0.02 . 1 . . . . 101 LYS HN . 15504 1 906 . 1 1 74 74 LYS HA H 1 3.51 0.02 . 1 . . . . 101 LYS HA . 15504 1 907 . 1 1 74 74 LYS HB2 H 1 2.05 0.02 . 2 . . . . 101 LYS HB1 . 15504 1 908 . 1 1 74 74 LYS HB3 H 1 1.73 0.02 . 2 . . . . 101 LYS HB2 . 15504 1 909 . 1 1 74 74 LYS HD2 H 1 1.81 0.02 . 2 . . . . 101 LYS HD1 . 15504 1 910 . 1 1 74 74 LYS HD3 H 1 1.70 0.02 . 2 . . . . 101 LYS HD2 . 15504 1 911 . 1 1 74 74 LYS HE2 H 1 3.05 0.02 . 2 . . . . 101 LYS HE1 . 15504 1 912 . 1 1 74 74 LYS HE3 H 1 3.01 0.02 . 2 . . . . 101 LYS HE2 . 15504 1 913 . 1 1 74 74 LYS HG2 H 1 1.51 0.02 . 2 . . . . 101 LYS HG1 . 15504 1 914 . 1 1 74 74 LYS HG3 H 1 1.38 0.02 . 2 . . . . 101 LYS HG2 . 15504 1 915 . 1 1 74 74 LYS C C 13 177.61 0.2 . 1 . . . . 101 LYS C . 15504 1 916 . 1 1 74 74 LYS CA C 13 58.50 0.2 . 1 . . . . 101 LYS CA . 15504 1 917 . 1 1 74 74 LYS CB C 13 31.79 0.2 . 1 . . . . 101 LYS CB . 15504 1 918 . 1 1 74 74 LYS CD C 13 27.98 0.2 . 1 . . . . 101 LYS CD . 15504 1 919 . 1 1 74 74 LYS CE C 13 41.86 0.2 . 1 . . . . 101 LYS CE . 15504 1 920 . 1 1 74 74 LYS CG C 13 24.95 0.2 . 1 . . . . 101 LYS CG . 15504 1 921 . 1 1 74 74 LYS N N 15 119.56 0.2 . 1 . . . . 101 LYS N . 15504 1 922 . 1 1 75 75 ILE H H 1 7.76 0.02 . 1 . . . . 102 ILE HN . 15504 1 923 . 1 1 75 75 ILE HA H 1 3.75 0.02 . 1 . . . . 102 ILE HA . 15504 1 924 . 1 1 75 75 ILE HB H 1 1.67 0.02 . 1 . . . . 102 ILE HB . 15504 1 925 . 1 1 75 75 ILE HD11 H 1 0.80 0.02 . 1 . . . . 102 ILE HD11 . 15504 1 926 . 1 1 75 75 ILE HD12 H 1 0.80 0.02 . 1 . . . . 102 ILE HD11 . 15504 1 927 . 1 1 75 75 ILE HD13 H 1 0.80 0.02 . 1 . . . . 102 ILE HD11 . 15504 1 928 . 1 1 75 75 ILE HG12 H 1 1.65 0.02 . 2 . . . . 102 ILE HG11 . 15504 1 929 . 1 1 75 75 ILE HG13 H 1 1.13 0.02 . 2 . . . . 102 ILE HG12 . 15504 1 930 . 1 1 75 75 ILE HG21 H 1 0.84 0.02 . 1 . . . . 102 ILE HG21 . 15504 1 931 . 1 1 75 75 ILE HG22 H 1 0.84 0.02 . 1 . . . . 102 ILE HG21 . 15504 1 932 . 1 1 75 75 ILE HG23 H 1 0.84 0.02 . 1 . . . . 102 ILE HG21 . 15504 1 933 . 1 1 75 75 ILE C C 13 178.53 0.2 . 1 . . . . 102 ILE C . 15504 1 934 . 1 1 75 75 ILE CA C 13 64.20 0.2 . 1 . . . . 102 ILE CA . 15504 1 935 . 1 1 75 75 ILE CB C 13 38.17 0.2 . 1 . . . . 102 ILE CB . 15504 1 936 . 1 1 75 75 ILE CD1 C 13 12.76 0.2 . 1 . . . . 102 ILE CD1 . 15504 1 937 . 1 1 75 75 ILE CG1 C 13 28.91 0.2 . 1 . . . . 102 ILE CG1 . 15504 1 938 . 1 1 75 75 ILE CG2 C 13 16.76 0.2 . 1 . . . . 102 ILE CG2 . 15504 1 939 . 1 1 75 75 ILE N N 15 117.49 0.2 . 1 . . . . 102 ILE N . 15504 1 940 . 1 1 76 76 ALA H H 1 7.09 0.02 . 1 . . . . 103 ALA HN . 15504 1 941 . 1 1 76 76 ALA HA H 1 3.99 0.02 . 1 . . . . 103 ALA HA . 15504 1 942 . 1 1 76 76 ALA HB1 H 1 1.34 0.02 . 1 . . . . 103 ALA HB1 . 15504 1 943 . 1 1 76 76 ALA HB2 H 1 1.34 0.02 . 1 . . . . 103 ALA HB1 . 15504 1 944 . 1 1 76 76 ALA HB3 H 1 1.34 0.02 . 1 . . . . 103 ALA HB1 . 15504 1 945 . 1 1 76 76 ALA C C 13 178.65 0.2 . 1 . . . . 103 ALA C . 15504 1 946 . 1 1 76 76 ALA CA C 13 55.02 0.2 . 1 . . . . 103 ALA CA . 15504 1 947 . 1 1 76 76 ALA CB C 13 18.57 0.2 . 1 . . . . 103 ALA CB . 15504 1 948 . 1 1 76 76 ALA N N 15 121.19 0.2 . 1 . . . . 103 ALA N . 15504 1 949 . 1 1 77 77 ILE H H 1 8.15 0.02 . 1 . . . . 104 ILE HN . 15504 1 950 . 1 1 77 77 ILE HA H 1 3.42 0.02 . 1 . . . . 104 ILE HA . 15504 1 951 . 1 1 77 77 ILE HB H 1 1.67 0.02 . 1 . . . . 104 ILE HB . 15504 1 952 . 1 1 77 77 ILE HD11 H 1 0.34 0.02 . 1 . . . . 104 ILE HD11 . 15504 1 953 . 1 1 77 77 ILE HD12 H 1 0.34 0.02 . 1 . . . . 104 ILE HD11 . 15504 1 954 . 1 1 77 77 ILE HD13 H 1 0.34 0.02 . 1 . . . . 104 ILE HD11 . 15504 1 955 . 1 1 77 77 ILE HG12 H 1 1.09 0.02 . 2 . . . . 104 ILE HG11 . 15504 1 956 . 1 1 77 77 ILE HG13 H 1 0.83 0.02 . 2 . . . . 104 ILE HG12 . 15504 1 957 . 1 1 77 77 ILE HG21 H 1 0.75 0.02 . 1 . . . . 104 ILE HG21 . 15504 1 958 . 1 1 77 77 ILE HG22 H 1 0.75 0.02 . 1 . . . . 104 ILE HG21 . 15504 1 959 . 1 1 77 77 ILE HG23 H 1 0.75 0.02 . 1 . . . . 104 ILE HG21 . 15504 1 960 . 1 1 77 77 ILE C C 13 176.67 0.2 . 1 . . . . 104 ILE C . 15504 1 961 . 1 1 77 77 ILE CA C 13 63.13 0.2 . 1 . . . . 104 ILE CA . 15504 1 962 . 1 1 77 77 ILE CB C 13 36.68 0.2 . 1 . . . . 104 ILE CB . 15504 1 963 . 1 1 77 77 ILE CD1 C 13 12.69 0.2 . 1 . . . . 104 ILE CD1 . 15504 1 964 . 1 1 77 77 ILE CG1 C 13 28.26 0.2 . 1 . . . . 104 ILE CG1 . 15504 1 965 . 1 1 77 77 ILE CG2 C 13 17.63 0.2 . 1 . . . . 104 ILE CG2 . 15504 1 966 . 1 1 77 77 ILE N N 15 119.24 0.2 . 1 . . . . 104 ILE N . 15504 1 967 . 1 1 78 78 ASP H H 1 8.29 0.02 . 1 . . . . 105 ASP HN . 15504 1 968 . 1 1 78 78 ASP HA H 1 4.44 0.02 . 1 . . . . 105 ASP HA . 15504 1 969 . 1 1 78 78 ASP HB2 H 1 2.78 0.02 . 2 . . . . 105 ASP HB1 . 15504 1 970 . 1 1 78 78 ASP HB3 H 1 2.62 0.02 . 2 . . . . 105 ASP HB2 . 15504 1 971 . 1 1 78 78 ASP C C 13 180.35 0.2 . 1 . . . . 105 ASP C . 15504 1 972 . 1 1 78 78 ASP CA C 13 57.44 0.2 . 1 . . . . 105 ASP CA . 15504 1 973 . 1 1 78 78 ASP CB C 13 39.43 0.2 . 1 . . . . 105 ASP CB . 15504 1 974 . 1 1 78 78 ASP N N 15 121.08 0.2 . 1 . . . . 105 ASP N . 15504 1 975 . 1 1 79 79 LYS H H 1 7.96 0.02 . 1 . . . . 106 LYS HN . 15504 1 976 . 1 1 79 79 LYS HA H 1 4.01 0.02 . 1 . . . . 106 LYS HA . 15504 1 977 . 1 1 79 79 LYS HB2 H 1 2.00 0.02 . 2 . . . . 106 LYS HB1 . 15504 1 978 . 1 1 79 79 LYS HB3 H 1 2.00 0.02 . 2 . . . . 106 LYS HB2 . 15504 1 979 . 1 1 79 79 LYS HD2 H 1 1.37 0.02 . 2 . . . . 106 LYS HD1 . 15504 1 980 . 1 1 79 79 LYS HD3 H 1 1.37 0.02 . 2 . . . . 106 LYS HD2 . 15504 1 981 . 1 1 79 79 LYS HE2 H 1 2.69 0.02 . 2 . . . . 106 LYS HE1 . 15504 1 982 . 1 1 79 79 LYS HE3 H 1 2.65 0.02 . 2 . . . . 106 LYS HE2 . 15504 1 983 . 1 1 79 79 LYS HG2 H 1 1.56 0.02 . 2 . . . . 106 LYS HG1 . 15504 1 984 . 1 1 79 79 LYS HG3 H 1 1.49 0.02 . 2 . . . . 106 LYS HG2 . 15504 1 985 . 1 1 79 79 LYS C C 13 178.58 0.2 . 1 . . . . 106 LYS C . 15504 1 986 . 1 1 79 79 LYS CA C 13 59.78 0.2 . 1 . . . . 106 LYS CA . 15504 1 987 . 1 1 79 79 LYS CB C 13 31.80 0.2 . 1 . . . . 106 LYS CB . 15504 1 988 . 1 1 79 79 LYS CD C 13 29.28 0.2 . 1 . . . . 106 LYS CD . 15504 1 989 . 1 1 79 79 LYS CE C 13 41.50 0.2 . 1 . . . . 106 LYS CE . 15504 1 990 . 1 1 79 79 LYS CG C 13 25.18 0.2 . 1 . . . . 106 LYS CG . 15504 1 991 . 1 1 79 79 LYS N N 15 121.34 0.2 . 1 . . . . 106 LYS N . 15504 1 992 . 1 1 80 80 LEU H H 1 8.23 0.02 . 1 . . . . 107 LEU HN . 15504 1 993 . 1 1 80 80 LEU HA H 1 3.99 0.02 . 1 . . . . 107 LEU HA . 15504 1 994 . 1 1 80 80 LEU HB2 H 1 1.96 0.02 . 2 . . . . 107 LEU HB1 . 15504 1 995 . 1 1 80 80 LEU HB3 H 1 1.34 0.02 . 2 . . . . 107 LEU HB2 . 15504 1 996 . 1 1 80 80 LEU HD11 H 1 0.44 0.02 . 2 . . . . 107 LEU HD11 . 15504 1 997 . 1 1 80 80 LEU HD12 H 1 0.44 0.02 . 2 . . . . 107 LEU HD11 . 15504 1 998 . 1 1 80 80 LEU HD13 H 1 0.44 0.02 . 2 . . . . 107 LEU HD11 . 15504 1 999 . 1 1 80 80 LEU HD21 H 1 0.19 0.02 . 2 . . . . 107 LEU HD21 . 15504 1 1000 . 1 1 80 80 LEU HD22 H 1 0.19 0.02 . 2 . . . . 107 LEU HD21 . 15504 1 1001 . 1 1 80 80 LEU HD23 H 1 0.19 0.02 . 2 . . . . 107 LEU HD21 . 15504 1 1002 . 1 1 80 80 LEU HG H 1 0.87 0.02 . 1 . . . . 107 LEU HG . 15504 1 1003 . 1 1 80 80 LEU C C 13 178.23 0.2 . 1 . . . . 107 LEU C . 15504 1 1004 . 1 1 80 80 LEU CA C 13 58.57 0.2 . 1 . . . . 107 LEU CA . 15504 1 1005 . 1 1 80 80 LEU CB C 13 41.11 0.2 . 1 . . . . 107 LEU CB . 15504 1 1006 . 1 1 80 80 LEU CD1 C 13 24.90 0.2 . 2 . . . . 107 LEU CD1 . 15504 1 1007 . 1 1 80 80 LEU CD2 C 13 24.34 0.2 . 2 . . . . 107 LEU CD2 . 15504 1 1008 . 1 1 80 80 LEU CG C 13 27.14 0.2 . 1 . . . . 107 LEU CG . 15504 1 1009 . 1 1 80 80 LEU N N 15 123.53 0.2 . 1 . . . . 107 LEU N . 15504 1 1010 . 1 1 81 81 PHE H H 1 8.05 0.02 . 1 . . . . 108 PHE HN . 15504 1 1011 . 1 1 81 81 PHE HA H 1 4.35 0.02 . 1 . . . . 108 PHE HA . 15504 1 1012 . 1 1 81 81 PHE HB2 H 1 3.32 0.02 . 2 . . . . 108 PHE HB1 . 15504 1 1013 . 1 1 81 81 PHE HB3 H 1 2.97 0.02 . 2 . . . . 108 PHE HB2 . 15504 1 1014 . 1 1 81 81 PHE HD1 H 1 6.84 0.02 . 3 . . . . 108 PHE HD1 . 15504 1 1015 . 1 1 81 81 PHE HD2 H 1 6.84 0.02 . 3 . . . . 108 PHE HD2 . 15504 1 1016 . 1 1 81 81 PHE HE1 H 1 6.33 0.02 . 3 . . . . 108 PHE HE1 . 15504 1 1017 . 1 1 81 81 PHE HE2 H 1 6.33 0.02 . 3 . . . . 108 PHE HE2 . 15504 1 1018 . 1 1 81 81 PHE HZ H 1 6.46 0.02 . 1 . . . . 108 PHE HZ . 15504 1 1019 . 1 1 81 81 PHE C C 13 179.57 0.2 . 1 . . . . 108 PHE C . 15504 1 1020 . 1 1 81 81 PHE CA C 13 61.07 0.2 . 1 . . . . 108 PHE CA . 15504 1 1021 . 1 1 81 81 PHE CB C 13 37.01 0.2 . 1 . . . . 108 PHE CB . 15504 1 1022 . 1 1 81 81 PHE CD1 C 13 131.28 0.2 . 3 . . . . 108 PHE CD1 . 15504 1 1023 . 1 1 81 81 PHE CD2 C 13 131.28 0.2 . 3 . . . . 108 PHE CD2 . 15504 1 1024 . 1 1 81 81 PHE CE1 C 13 129.95 0.2 . 3 . . . . 108 PHE CE1 . 15504 1 1025 . 1 1 81 81 PHE CE2 C 13 129.95 0.2 . 3 . . . . 108 PHE CE2 . 15504 1 1026 . 1 1 81 81 PHE CZ C 13 126.48 0.2 . 1 . . . . 108 PHE CZ . 15504 1 1027 . 1 1 81 81 PHE N N 15 116.72 0.2 . 1 . . . . 108 PHE N . 15504 1 1028 . 1 1 82 82 SER H H 1 8.41 0.02 . 1 . . . . 109 SER HN . 15504 1 1029 . 1 1 82 82 SER HA H 1 4.36 0.02 . 1 . . . . 109 SER HA . 15504 1 1030 . 1 1 82 82 SER HB2 H 1 4.05 0.02 . 2 . . . . 109 SER HB1 . 15504 1 1031 . 1 1 82 82 SER HB3 H 1 4.01 0.02 . 2 . . . . 109 SER HB2 . 15504 1 1032 . 1 1 82 82 SER C C 13 176.20 0.2 . 1 . . . . 109 SER C . 15504 1 1033 . 1 1 82 82 SER CA C 13 61.83 0.2 . 1 . . . . 109 SER CA . 15504 1 1034 . 1 1 82 82 SER CB C 13 62.57 0.2 . 1 . . . . 109 SER CB . 15504 1 1035 . 1 1 82 82 SER N N 15 118.12 0.2 . 1 . . . . 109 SER N . 15504 1 1036 . 1 1 83 83 MET H H 1 8.42 0.02 . 1 . . . . 110 MET HN . 15504 1 1037 . 1 1 83 83 MET HA H 1 4.21 0.02 . 1 . . . . 110 MET HA . 15504 1 1038 . 1 1 83 83 MET HB2 H 1 2.48 0.02 . 2 . . . . 110 MET HB1 . 15504 1 1039 . 1 1 83 83 MET HB3 H 1 2.14 0.02 . 2 . . . . 110 MET HB2 . 15504 1 1040 . 1 1 83 83 MET HE1 H 1 1.65 0.02 . 1 . . . . 110 MET HE1 . 15504 1 1041 . 1 1 83 83 MET HE2 H 1 1.65 0.02 . 1 . . . . 110 MET HE1 . 15504 1 1042 . 1 1 83 83 MET HE3 H 1 1.65 0.02 . 1 . . . . 110 MET HE1 . 15504 1 1043 . 1 1 83 83 MET C C 13 178.26 0.2 . 1 . . . . 110 MET C . 15504 1 1044 . 1 1 83 83 MET CA C 13 59.17 0.2 . 1 . . . . 110 MET CA . 15504 1 1045 . 1 1 83 83 MET CB C 13 31.24 0.2 . 1 . . . . 110 MET CB . 15504 1 1046 . 1 1 83 83 MET CE C 13 15.87 0.2 . 1 . . . . 110 MET CE . 15504 1 1047 . 1 1 83 83 MET N N 15 123.04 0.2 . 1 . . . . 110 MET N . 15504 1 1048 . 1 1 84 84 LEU H H 1 8.08 0.02 . 1 . . . . 111 LEU HN . 15504 1 1049 . 1 1 84 84 LEU HA H 1 4.14 0.02 . 1 . . . . 111 LEU HA . 15504 1 1050 . 1 1 84 84 LEU HB2 H 1 2.20 0.02 . 2 . . . . 111 LEU HB1 . 15504 1 1051 . 1 1 84 84 LEU HB3 H 1 1.78 0.02 . 2 . . . . 111 LEU HB2 . 15504 1 1052 . 1 1 84 84 LEU HD11 H 1 1.00 0.02 . 2 . . . . 111 LEU HD11 . 15504 1 1053 . 1 1 84 84 LEU HD12 H 1 1.00 0.02 . 2 . . . . 111 LEU HD11 . 15504 1 1054 . 1 1 84 84 LEU HD13 H 1 1.00 0.02 . 2 . . . . 111 LEU HD11 . 15504 1 1055 . 1 1 84 84 LEU HD21 H 1 0.92 0.02 . 2 . . . . 111 LEU HD21 . 15504 1 1056 . 1 1 84 84 LEU HD22 H 1 0.92 0.02 . 2 . . . . 111 LEU HD21 . 15504 1 1057 . 1 1 84 84 LEU HD23 H 1 0.92 0.02 . 2 . . . . 111 LEU HD21 . 15504 1 1058 . 1 1 84 84 LEU HG H 1 2.00 0.02 . 1 . . . . 111 LEU HG . 15504 1 1059 . 1 1 84 84 LEU C C 13 178.03 0.2 . 1 . . . . 111 LEU C . 15504 1 1060 . 1 1 84 84 LEU CA C 13 57.39 0.2 . 1 . . . . 111 LEU CA . 15504 1 1061 . 1 1 84 84 LEU CB C 13 41.43 0.2 . 1 . . . . 111 LEU CB . 15504 1 1062 . 1 1 84 84 LEU CD1 C 13 22.76 0.2 . 2 . . . . 111 LEU CD1 . 15504 1 1063 . 1 1 84 84 LEU CD2 C 13 26.49 0.2 . 2 . . . . 111 LEU CD2 . 15504 1 1064 . 1 1 84 84 LEU CG C 13 27.14 0.2 . 1 . . . . 111 LEU CG . 15504 1 1065 . 1 1 84 84 LEU N N 15 117.91 0.2 . 1 . . . . 111 LEU N . 15504 1 1066 . 1 1 85 85 LYS H H 1 7.64 0.02 . 1 . . . . 112 LYS HN . 15504 1 1067 . 1 1 85 85 LYS HA H 1 4.11 0.02 . 1 . . . . 112 LYS HA . 15504 1 1068 . 1 1 85 85 LYS HB2 H 1 2.17 0.02 . 2 . . . . 112 LYS HB1 . 15504 1 1069 . 1 1 85 85 LYS HB3 H 1 2.09 0.02 . 2 . . . . 112 LYS HB2 . 15504 1 1070 . 1 1 85 85 LYS HD2 H 1 1.73 0.02 . 2 . . . . 112 LYS HD1 . 15504 1 1071 . 1 1 85 85 LYS HD3 H 1 1.73 0.02 . 2 . . . . 112 LYS HD2 . 15504 1 1072 . 1 1 85 85 LYS HE2 H 1 2.99 0.02 . 2 . . . . 112 LYS HE1 . 15504 1 1073 . 1 1 85 85 LYS HE3 H 1 2.99 0.02 . 2 . . . . 112 LYS HE2 . 15504 1 1074 . 1 1 85 85 LYS HG2 H 1 1.48 0.02 . 2 . . . . 112 LYS HG1 . 15504 1 1075 . 1 1 85 85 LYS HG3 H 1 1.48 0.02 . 2 . . . . 112 LYS HG2 . 15504 1 1076 . 1 1 85 85 LYS C C 13 177.65 0.2 . 1 . . . . 112 LYS C . 15504 1 1077 . 1 1 85 85 LYS CA C 13 58.75 0.2 . 1 . . . . 112 LYS CA . 15504 1 1078 . 1 1 85 85 LYS CB C 13 32.24 0.2 . 1 . . . . 112 LYS CB . 15504 1 1079 . 1 1 85 85 LYS CD C 13 29.67 0.2 . 1 . . . . 112 LYS CD . 15504 1 1080 . 1 1 85 85 LYS CE C 13 41.97 0.2 . 1 . . . . 112 LYS CE . 15504 1 1081 . 1 1 85 85 LYS CG C 13 24.63 0.2 . 1 . . . . 112 LYS CG . 15504 1 1082 . 1 1 85 85 LYS N N 15 119.34 0.2 . 1 . . . . 112 LYS N . 15504 1 1083 . 1 1 86 86 ASP H H 1 7.35 0.02 . 1 . . . . 113 ASP HN . 15504 1 1084 . 1 1 86 86 ASP HA H 1 4.57 0.02 . 1 . . . . 113 ASP HA . 15504 1 1085 . 1 1 86 86 ASP HB2 H 1 2.81 0.02 . 2 . . . . 113 ASP HB1 . 15504 1 1086 . 1 1 86 86 ASP HB3 H 1 2.75 0.02 . 2 . . . . 113 ASP HB2 . 15504 1 1087 . 1 1 86 86 ASP C C 13 176.95 0.2 . 1 . . . . 113 ASP C . 15504 1 1088 . 1 1 86 86 ASP CA C 13 55.77 0.2 . 1 . . . . 113 ASP CA . 15504 1 1089 . 1 1 86 86 ASP CB C 13 42.42 0.2 . 1 . . . . 113 ASP CB . 15504 1 1090 . 1 1 86 86 ASP N N 15 117.21 0.2 . 1 . . . . 113 ASP N . 15504 1 1091 . 1 1 87 87 GLY H H 1 7.76 0.02 . 1 . . . . 114 GLY HN . 15504 1 1092 . 1 1 87 87 GLY HA2 H 1 4.38 0.02 . 2 . . . . 114 GLY HA1 . 15504 1 1093 . 1 1 87 87 GLY HA3 H 1 4.38 0.02 . 2 . . . . 114 GLY HA2 . 15504 1 1094 . 1 1 87 87 GLY C C 13 173.00 0.2 . 1 . . . . 114 GLY C . 15504 1 1095 . 1 1 87 87 GLY CA C 13 44.49 0.2 . 1 . . . . 114 GLY CA . 15504 1 1096 . 1 1 87 87 GLY N N 15 107.74 0.2 . 1 . . . . 114 GLY N . 15504 1 1097 . 1 1 88 88 VAL H H 1 9.35 0.02 . 1 . . . . 115 VAL HN . 15504 1 1098 . 1 1 88 88 VAL HA H 1 4.96 0.02 . 1 . . . . 115 VAL HA . 15504 1 1099 . 1 1 88 88 VAL HB H 1 2.37 0.02 . 1 . . . . 115 VAL HB . 15504 1 1100 . 1 1 88 88 VAL HG11 H 1 0.94 0.02 . 2 . . . . 115 VAL HG11 . 15504 1 1101 . 1 1 88 88 VAL HG12 H 1 0.94 0.02 . 2 . . . . 115 VAL HG11 . 15504 1 1102 . 1 1 88 88 VAL HG13 H 1 0.94 0.02 . 2 . . . . 115 VAL HG11 . 15504 1 1103 . 1 1 88 88 VAL HG21 H 1 0.86 0.02 . 2 . . . . 115 VAL HG21 . 15504 1 1104 . 1 1 88 88 VAL HG22 H 1 0.86 0.02 . 2 . . . . 115 VAL HG21 . 15504 1 1105 . 1 1 88 88 VAL HG23 H 1 0.86 0.02 . 2 . . . . 115 VAL HG21 . 15504 1 1106 . 1 1 88 88 VAL C C 13 173.10 0.2 . 1 . . . . 115 VAL C . 15504 1 1107 . 1 1 88 88 VAL CA C 13 58.65 0.2 . 1 . . . . 115 VAL CA . 15504 1 1108 . 1 1 88 88 VAL CB C 13 35.91 0.2 . 1 . . . . 115 VAL CB . 15504 1 1109 . 1 1 88 88 VAL CG1 C 13 18.47 0.2 . 2 . . . . 115 VAL CG1 . 15504 1 1110 . 1 1 88 88 VAL CG2 C 13 23.04 0.2 . 2 . . . . 115 VAL CG2 . 15504 1 1111 . 1 1 88 88 VAL N N 15 118.05 0.2 . 1 . . . . 115 VAL N . 15504 1 1112 . 1 1 89 89 VAL H H 1 9.00 0.02 . 1 . . . . 116 VAL HN . 15504 1 1113 . 1 1 89 89 VAL HA H 1 4.55 0.02 . 1 . . . . 116 VAL HA . 15504 1 1114 . 1 1 89 89 VAL HB H 1 1.86 0.02 . 1 . . . . 116 VAL HB . 15504 1 1115 . 1 1 89 89 VAL HG11 H 1 0.99 0.02 . 2 . . . . 116 VAL HG11 . 15504 1 1116 . 1 1 89 89 VAL HG12 H 1 0.99 0.02 . 2 . . . . 116 VAL HG11 . 15504 1 1117 . 1 1 89 89 VAL HG13 H 1 0.99 0.02 . 2 . . . . 116 VAL HG11 . 15504 1 1118 . 1 1 89 89 VAL HG21 H 1 0.81 0.02 . 2 . . . . 116 VAL HG21 . 15504 1 1119 . 1 1 89 89 VAL HG22 H 1 0.81 0.02 . 2 . . . . 116 VAL HG21 . 15504 1 1120 . 1 1 89 89 VAL HG23 H 1 0.81 0.02 . 2 . . . . 116 VAL HG21 . 15504 1 1121 . 1 1 89 89 VAL C C 13 174.64 0.2 . 1 . . . . 116 VAL C . 15504 1 1122 . 1 1 89 89 VAL CA C 13 61.36 0.2 . 1 . . . . 116 VAL CA . 15504 1 1123 . 1 1 89 89 VAL CB C 13 33.76 0.2 . 1 . . . . 116 VAL CB . 15504 1 1124 . 1 1 89 89 VAL CG1 C 13 22.20 0.2 . 2 . . . . 116 VAL CG1 . 15504 1 1125 . 1 1 89 89 VAL CG2 C 13 21.36 0.2 . 2 . . . . 116 VAL CG2 . 15504 1 1126 . 1 1 89 89 VAL N N 15 121.03 0.2 . 1 . . . . 116 VAL N . 15504 1 1127 . 1 1 90 90 LEU H H 1 8.95 0.02 . 1 . . . . 117 LEU HN . 15504 1 1128 . 1 1 90 90 LEU HA H 1 5.16 0.02 . 1 . . . . 117 LEU HA . 15504 1 1129 . 1 1 90 90 LEU HB2 H 1 2.06 0.02 . 2 . . . . 117 LEU HB1 . 15504 1 1130 . 1 1 90 90 LEU HB3 H 1 0.75 0.02 . 2 . . . . 117 LEU HB2 . 15504 1 1131 . 1 1 90 90 LEU HD11 H 1 0.24 0.02 . 2 . . . . 117 LEU HD11 . 15504 1 1132 . 1 1 90 90 LEU HD12 H 1 0.24 0.02 . 2 . . . . 117 LEU HD11 . 15504 1 1133 . 1 1 90 90 LEU HD13 H 1 0.24 0.02 . 2 . . . . 117 LEU HD11 . 15504 1 1134 . 1 1 90 90 LEU HD21 H 1 -0.06 0.02 . 2 . . . . 117 LEU HD21 . 15504 1 1135 . 1 1 90 90 LEU HD22 H 1 -0.06 0.02 . 2 . . . . 117 LEU HD21 . 15504 1 1136 . 1 1 90 90 LEU HD23 H 1 -0.06 0.02 . 2 . . . . 117 LEU HD21 . 15504 1 1137 . 1 1 90 90 LEU HG H 1 1.40 0.02 . 1 . . . . 117 LEU HG . 15504 1 1138 . 1 1 90 90 LEU C C 13 176.15 0.2 . 1 . . . . 117 LEU C . 15504 1 1139 . 1 1 90 90 LEU CA C 13 52.23 0.2 . 1 . . . . 117 LEU CA . 15504 1 1140 . 1 1 90 90 LEU CB C 13 44.28 0.2 . 1 . . . . 117 LEU CB . 15504 1 1141 . 1 1 90 90 LEU CD1 C 13 22.76 0.2 . 2 . . . . 117 LEU CD1 . 15504 1 1142 . 1 1 90 90 LEU CD2 C 13 24.44 0.2 . 2 . . . . 117 LEU CD2 . 15504 1 1143 . 1 1 90 90 LEU CG C 13 26.40 0.2 . 1 . . . . 117 LEU CG . 15504 1 1144 . 1 1 90 90 LEU N N 15 125.42 0.2 . 1 . . . . 117 LEU N . 15504 1 1145 . 1 1 91 91 LYS H H 1 8.28 0.02 . 1 . . . . 118 LYS HN . 15504 1 1146 . 1 1 91 91 LYS HA H 1 4.90 0.02 . 1 . . . . 118 LYS HA . 15504 1 1147 . 1 1 91 91 LYS HB2 H 1 1.42 0.02 . 2 . . . . 118 LYS HB1 . 15504 1 1148 . 1 1 91 91 LYS HB3 H 1 1.42 0.02 . 2 . . . . 118 LYS HB2 . 15504 1 1149 . 1 1 91 91 LYS HD2 H 1 1.41 0.02 . 2 . . . . 118 LYS HD1 . 15504 1 1150 . 1 1 91 91 LYS HD3 H 1 1.36 0.02 . 2 . . . . 118 LYS HD2 . 15504 1 1151 . 1 1 91 91 LYS HE2 H 1 2.71 0.02 . 2 . . . . 118 LYS HE1 . 15504 1 1152 . 1 1 91 91 LYS HE3 H 1 2.51 0.02 . 2 . . . . 118 LYS HE2 . 15504 1 1153 . 1 1 91 91 LYS HG2 H 1 1.15 0.02 . 2 . . . . 118 LYS HG1 . 15504 1 1154 . 1 1 91 91 LYS HG3 H 1 1.07 0.02 . 2 . . . . 118 LYS HG2 . 15504 1 1155 . 1 1 91 91 LYS C C 13 175.30 0.2 . 1 . . . . 118 LYS C . 15504 1 1156 . 1 1 91 91 LYS CA C 13 53.81 0.2 . 1 . . . . 118 LYS CA . 15504 1 1157 . 1 1 91 91 LYS CB C 13 36.84 0.2 . 1 . . . . 118 LYS CB . 15504 1 1158 . 1 1 91 91 LYS CD C 13 29.47 0.2 . 1 . . . . 118 LYS CD . 15504 1 1159 . 1 1 91 91 LYS CE C 13 41.97 0.2 . 1 . . . . 118 LYS CE . 15504 1 1160 . 1 1 91 91 LYS CG C 13 25.74 0.2 . 1 . . . . 118 LYS CG . 15504 1 1161 . 1 1 91 91 LYS N N 15 119.72 0.2 . 1 . . . . 118 LYS N . 15504 1 1162 . 1 1 92 92 GLY H H 1 9.03 0.02 . 1 . . . . 119 GLY HN . 15504 1 1163 . 1 1 92 92 GLY HA2 H 1 3.75 0.02 . 2 . . . . 119 GLY HA1 . 15504 1 1164 . 1 1 92 92 GLY HA3 H 1 3.75 0.02 . 2 . . . . 119 GLY HA2 . 15504 1 1165 . 1 1 92 92 GLY CA C 13 43.98 0.2 . 1 . . . . 119 GLY CA . 15504 1 1166 . 1 1 92 92 GLY N N 15 109.73 0.2 . 1 . . . . 119 GLY N . 15504 1 1167 . 1 1 94 94 LYS HA H 1 4.76 0.02 . 1 . . . . 121 LYS HA . 15504 1 1168 . 1 1 95 95 ILE H H 1 7.70 0.02 . 1 . . . . 122 ILE HN . 15504 1 1169 . 1 1 95 95 ILE HA H 1 4.16 0.02 . 1 . . . . 122 ILE HA . 15504 1 1170 . 1 1 95 95 ILE HB H 1 1.98 0.02 . 1 . . . . 122 ILE HB . 15504 1 1171 . 1 1 95 95 ILE HD11 H 1 0.84 0.02 . 1 . . . . 122 ILE HD11 . 15504 1 1172 . 1 1 95 95 ILE HD12 H 1 0.84 0.02 . 1 . . . . 122 ILE HD11 . 15504 1 1173 . 1 1 95 95 ILE HD13 H 1 0.84 0.02 . 1 . . . . 122 ILE HD11 . 15504 1 1174 . 1 1 95 95 ILE HG12 H 1 1.41 0.02 . 2 . . . . 122 ILE HG11 . 15504 1 1175 . 1 1 95 95 ILE HG13 H 1 1.21 0.02 . 2 . . . . 122 ILE HG12 . 15504 1 1176 . 1 1 95 95 ILE HG21 H 1 0.88 0.02 . 1 . . . . 122 ILE HG21 . 15504 1 1177 . 1 1 95 95 ILE HG22 H 1 0.88 0.02 . 1 . . . . 122 ILE HG21 . 15504 1 1178 . 1 1 95 95 ILE HG23 H 1 0.88 0.02 . 1 . . . . 122 ILE HG21 . 15504 1 1179 . 1 1 95 95 ILE CA C 13 61.27 0.2 . 1 . . . . 122 ILE CA . 15504 1 1180 . 1 1 95 95 ILE CB C 13 37.59 0.2 . 1 . . . . 122 ILE CB . 15504 1 1181 . 1 1 95 95 ILE CD1 C 13 12.88 0.2 . 1 . . . . 122 ILE CD1 . 15504 1 1182 . 1 1 95 95 ILE CG1 C 13 27.52 0.2 . 1 . . . . 122 ILE CG1 . 15504 1 1183 . 1 1 95 95 ILE CG2 C 13 17.54 0.2 . 1 . . . . 122 ILE CG2 . 15504 1 1184 . 1 1 95 95 ILE N N 15 117.40 0.2 . 1 . . . . 122 ILE N . 15504 1 1185 . 1 1 98 98 THR HA H 1 5.81 0.02 . 1 . . . . 125 THR HA . 15504 1 1186 . 1 1 98 98 THR HB H 1 3.88 0.02 . 1 . . . . 125 THR HB . 15504 1 1187 . 1 1 98 98 THR HG21 H 1 1.11 0.02 . 1 . . . . 125 THR HG21 . 15504 1 1188 . 1 1 98 98 THR HG22 H 1 1.11 0.02 . 1 . . . . 125 THR HG21 . 15504 1 1189 . 1 1 98 98 THR HG23 H 1 1.11 0.02 . 1 . . . . 125 THR HG21 . 15504 1 1190 . 1 1 98 98 THR CA C 13 61.74 0.2 . 1 . . . . 125 THR CA . 15504 1 1191 . 1 1 98 98 THR CB C 13 73.45 0.2 . 1 . . . . 125 THR CB . 15504 1 1192 . 1 1 98 98 THR CG2 C 13 21.18 0.2 . 1 . . . . 125 THR CG2 . 15504 1 1193 . 1 1 99 99 ILE HA H 1 4.63 0.02 . 1 . . . . 126 ILE HA . 15504 1 1194 . 1 1 99 99 ILE HB H 1 1.04 0.02 . 1 . . . . 126 ILE HB . 15504 1 1195 . 1 1 99 99 ILE HD11 H 1 -0.20 0.02 . 1 . . . . 126 ILE HD11 . 15504 1 1196 . 1 1 99 99 ILE HD12 H 1 -0.20 0.02 . 1 . . . . 126 ILE HD11 . 15504 1 1197 . 1 1 99 99 ILE HD13 H 1 -0.20 0.02 . 1 . . . . 126 ILE HD11 . 15504 1 1198 . 1 1 99 99 ILE HG12 H 1 1.37 0.02 . 2 . . . . 126 ILE HG11 . 15504 1 1199 . 1 1 99 99 ILE HG13 H 1 0.29 0.02 . 2 . . . . 126 ILE HG12 . 15504 1 1200 . 1 1 99 99 ILE HG21 H 1 0.28 0.02 . 1 . . . . 126 ILE HG21 . 15504 1 1201 . 1 1 99 99 ILE HG22 H 1 0.28 0.02 . 1 . . . . 126 ILE HG21 . 15504 1 1202 . 1 1 99 99 ILE HG23 H 1 0.28 0.02 . 1 . . . . 126 ILE HG21 . 15504 1 1203 . 1 1 99 99 ILE C C 13 174.43 0.2 . 1 . . . . 126 ILE C . 15504 1 1204 . 1 1 99 99 ILE CA C 13 59.98 0.2 . 1 . . . . 126 ILE CA . 15504 1 1205 . 1 1 99 99 ILE CB C 13 40.97 0.2 . 1 . . . . 126 ILE CB . 15504 1 1206 . 1 1 99 99 ILE CD1 C 13 12.78 0.2 . 1 . . . . 126 ILE CD1 . 15504 1 1207 . 1 1 99 99 ILE CG1 C 13 28.26 0.2 . 1 . . . . 126 ILE CG1 . 15504 1 1208 . 1 1 99 99 ILE CG2 C 13 17.45 0.2 . 1 . . . . 126 ILE CG2 . 15504 1 1209 . 1 1 100 100 LEU H H 1 9.53 0.02 . 1 . . . . 127 LEU HN . 15504 1 1210 . 1 1 100 100 LEU HA H 1 4.42 0.02 . 1 . . . . 127 LEU HA . 15504 1 1211 . 1 1 100 100 LEU HB2 H 1 1.73 0.02 . 2 . . . . 127 LEU HB1 . 15504 1 1212 . 1 1 100 100 LEU HB3 H 1 1.35 0.02 . 2 . . . . 127 LEU HB2 . 15504 1 1213 . 1 1 100 100 LEU HD11 H 1 0.82 0.02 . 2 . . . . 127 LEU HD11 . 15504 1 1214 . 1 1 100 100 LEU HD12 H 1 0.82 0.02 . 2 . . . . 127 LEU HD11 . 15504 1 1215 . 1 1 100 100 LEU HD13 H 1 0.82 0.02 . 2 . . . . 127 LEU HD11 . 15504 1 1216 . 1 1 100 100 LEU HD21 H 1 0.77 0.02 . 2 . . . . 127 LEU HD21 . 15504 1 1217 . 1 1 100 100 LEU HD22 H 1 0.77 0.02 . 2 . . . . 127 LEU HD21 . 15504 1 1218 . 1 1 100 100 LEU HD23 H 1 0.77 0.02 . 2 . . . . 127 LEU HD21 . 15504 1 1219 . 1 1 100 100 LEU HG H 1 1.63 0.02 . 1 . . . . 127 LEU HG . 15504 1 1220 . 1 1 100 100 LEU C C 13 174.93 0.2 . 1 . . . . 127 LEU C . 15504 1 1221 . 1 1 100 100 LEU CA C 13 54.03 0.2 . 1 . . . . 127 LEU CA . 15504 1 1222 . 1 1 100 100 LEU CB C 13 42.52 0.2 . 1 . . . . 127 LEU CB . 15504 1 1223 . 1 1 100 100 LEU CD1 C 13 25.09 0.2 . 2 . . . . 127 LEU CD1 . 15504 1 1224 . 1 1 100 100 LEU CD2 C 13 23.23 0.2 . 2 . . . . 127 LEU CD2 . 15504 1 1225 . 1 1 100 100 LEU CG C 13 26.95 0.2 . 1 . . . . 127 LEU CG . 15504 1 1226 . 1 1 100 100 LEU N N 15 127.30 0.2 . 1 . . . . 127 LEU N . 15504 1 1227 . 1 1 101 101 ILE H H 1 8.26 0.02 . 1 . . . . 128 ILE HN . 15504 1 1228 . 1 1 101 101 ILE HA H 1 4.32 0.02 . 1 . . . . 128 ILE HA . 15504 1 1229 . 1 1 101 101 ILE HB H 1 1.49 0.02 . 1 . . . . 128 ILE HB . 15504 1 1230 . 1 1 101 101 ILE HD11 H 1 0.09 0.02 . 1 . . . . 128 ILE HD11 . 15504 1 1231 . 1 1 101 101 ILE HD12 H 1 0.09 0.02 . 1 . . . . 128 ILE HD11 . 15504 1 1232 . 1 1 101 101 ILE HD13 H 1 0.09 0.02 . 1 . . . . 128 ILE HD11 . 15504 1 1233 . 1 1 101 101 ILE HG12 H 1 1.07 0.02 . 2 . . . . 128 ILE HG11 . 15504 1 1234 . 1 1 101 101 ILE HG13 H 1 0.43 0.02 . 2 . . . . 128 ILE HG12 . 15504 1 1235 . 1 1 101 101 ILE HG21 H 1 0.60 0.02 . 1 . . . . 128 ILE HG21 . 15504 1 1236 . 1 1 101 101 ILE HG22 H 1 0.60 0.02 . 1 . . . . 128 ILE HG21 . 15504 1 1237 . 1 1 101 101 ILE HG23 H 1 0.60 0.02 . 1 . . . . 128 ILE HG21 . 15504 1 1238 . 1 1 101 101 ILE C C 13 173.88 0.2 . 1 . . . . 128 ILE C . 15504 1 1239 . 1 1 101 101 ILE CA C 13 60.90 0.2 . 1 . . . . 128 ILE CA . 15504 1 1240 . 1 1 101 101 ILE CB C 13 37.41 0.2 . 1 . . . . 128 ILE CB . 15504 1 1241 . 1 1 101 101 ILE CD1 C 13 12.32 0.2 . 1 . . . . 128 ILE CD1 . 15504 1 1242 . 1 1 101 101 ILE CG1 C 13 26.58 0.2 . 1 . . . . 128 ILE CG1 . 15504 1 1243 . 1 1 101 101 ILE CG2 C 13 16.70 0.2 . 1 . . . . 128 ILE CG2 . 15504 1 1244 . 1 1 101 101 ILE N N 15 119.99 0.2 . 1 . . . . 128 ILE N . 15504 1 1245 . 1 1 102 102 GLU H H 1 9.58 0.02 . 1 . . . . 129 GLU HN . 15504 1 1246 . 1 1 102 102 GLU HA H 1 5.12 0.02 . 1 . . . . 129 GLU HA . 15504 1 1247 . 1 1 102 102 GLU HB2 H 1 1.80 0.02 . 2 . . . . 129 GLU HB1 . 15504 1 1248 . 1 1 102 102 GLU HB3 H 1 1.80 0.02 . 2 . . . . 129 GLU HB2 . 15504 1 1249 . 1 1 102 102 GLU HG2 H 1 1.78 0.02 . 2 . . . . 129 GLU HG1 . 15504 1 1250 . 1 1 102 102 GLU HG3 H 1 1.78 0.02 . 2 . . . . 129 GLU HG2 . 15504 1 1251 . 1 1 102 102 GLU C C 13 174.24 0.2 . 1 . . . . 129 GLU C . 15504 1 1252 . 1 1 102 102 GLU CA C 13 54.05 0.2 . 1 . . . . 129 GLU CA . 15504 1 1253 . 1 1 102 102 GLU CB C 13 33.63 0.2 . 1 . . . . 129 GLU CB . 15504 1 1254 . 1 1 102 102 GLU CG C 13 36.74 0.2 . 1 . . . . 129 GLU CG . 15504 1 1255 . 1 1 102 102 GLU N N 15 129.78 0.2 . 1 . . . . 129 GLU N . 15504 1 1256 . 1 1 103 103 LYS H H 1 8.68 0.02 . 1 . . . . 130 LYS HN . 15504 1 1257 . 1 1 103 103 LYS HA H 1 4.72 0.02 . 1 . . . . 130 LYS HA . 15504 1 1258 . 1 1 103 103 LYS HB2 H 1 1.83 0.02 . 2 . . . . 130 LYS HB1 . 15504 1 1259 . 1 1 103 103 LYS HB3 H 1 1.73 0.02 . 2 . . . . 130 LYS HB2 . 15504 1 1260 . 1 1 103 103 LYS HE2 H 1 3.08 0.02 . 2 . . . . 130 LYS HE1 . 15504 1 1261 . 1 1 103 103 LYS HE3 H 1 3.08 0.02 . 2 . . . . 130 LYS HE2 . 15504 1 1262 . 1 1 103 103 LYS HG2 H 1 1.48 0.02 . 2 . . . . 130 LYS HG1 . 15504 1 1263 . 1 1 103 103 LYS HG3 H 1 1.41 0.02 . 2 . . . . 130 LYS HG2 . 15504 1 1264 . 1 1 103 103 LYS C C 13 175.28 0.2 . 1 . . . . 130 LYS C . 15504 1 1265 . 1 1 103 103 LYS CA C 13 55.19 0.2 . 1 . . . . 130 LYS CA . 15504 1 1266 . 1 1 103 103 LYS CB C 13 36.75 0.2 . 1 . . . . 130 LYS CB . 15504 1 1267 . 1 1 103 103 LYS CD C 13 29.66 0.2 . 1 . . . . 130 LYS CD . 15504 1 1268 . 1 1 103 103 LYS CE C 13 42.26 0.2 . 1 . . . . 130 LYS CE . 15504 1 1269 . 1 1 103 103 LYS CG C 13 24.80 0.2 . 1 . . . . 130 LYS CG . 15504 1 1270 . 1 1 103 103 LYS N N 15 123.42 0.2 . 1 . . . . 130 LYS N . 15504 1 1271 . 1 1 104 104 ASP H H 1 9.53 0.02 . 1 . . . . 131 ASP HN . 15504 1 1272 . 1 1 104 104 ASP HA H 1 4.29 0.02 . 1 . . . . 131 ASP HA . 15504 1 1273 . 1 1 104 104 ASP HB2 H 1 2.92 0.02 . 2 . . . . 131 ASP HB1 . 15504 1 1274 . 1 1 104 104 ASP HB3 H 1 2.78 0.02 . 2 . . . . 131 ASP HB2 . 15504 1 1275 . 1 1 104 104 ASP C C 13 176.09 0.2 . 1 . . . . 131 ASP C . 15504 1 1276 . 1 1 104 104 ASP CA C 13 55.37 0.2 . 1 . . . . 131 ASP CA . 15504 1 1277 . 1 1 104 104 ASP CB C 13 39.26 0.2 . 1 . . . . 131 ASP CB . 15504 1 1278 . 1 1 104 104 ASP N N 15 127.44 0.2 . 1 . . . . 131 ASP N . 15504 1 1279 . 1 1 105 105 GLY H H 1 8.97 0.02 . 1 . . . . 132 GLY HN . 15504 1 1280 . 1 1 105 105 GLY HA2 H 1 4.09 0.02 . 2 . . . . 132 GLY HA1 . 15504 1 1281 . 1 1 105 105 GLY HA3 H 1 3.55 0.02 . 2 . . . . 132 GLY HA2 . 15504 1 1282 . 1 1 105 105 GLY C C 13 173.13 0.2 . 1 . . . . 132 GLY C . 15504 1 1283 . 1 1 105 105 GLY CA C 13 45.23 0.2 . 1 . . . . 132 GLY CA . 15504 1 1284 . 1 1 105 105 GLY N N 15 103.82 0.2 . 1 . . . . 132 GLY N . 15504 1 1285 . 1 1 106 106 GLU H H 1 7.72 0.02 . 1 . . . . 133 GLU HN . 15504 1 1286 . 1 1 106 106 GLU HA H 1 4.72 0.02 . 1 . . . . 133 GLU HA . 15504 1 1287 . 1 1 106 106 GLU HB2 H 1 1.98 0.02 . 2 . . . . 133 GLU HB1 . 15504 1 1288 . 1 1 106 106 GLU HB3 H 1 1.88 0.02 . 2 . . . . 133 GLU HB2 . 15504 1 1289 . 1 1 106 106 GLU HG2 H 1 2.19 0.02 . 2 . . . . 133 GLU HG1 . 15504 1 1290 . 1 1 106 106 GLU HG3 H 1 2.11 0.02 . 2 . . . . 133 GLU HG2 . 15504 1 1291 . 1 1 106 106 GLU C C 13 174.94 0.2 . 1 . . . . 133 GLU C . 15504 1 1292 . 1 1 106 106 GLU CA C 13 53.77 0.2 . 1 . . . . 133 GLU CA . 15504 1 1293 . 1 1 106 106 GLU CB C 13 32.82 0.2 . 1 . . . . 133 GLU CB . 15504 1 1294 . 1 1 106 106 GLU CG C 13 35.95 0.2 . 1 . . . . 133 GLU CG . 15504 1 1295 . 1 1 106 106 GLU N N 15 120.20 0.2 . 1 . . . . 133 GLU N . 15504 1 1296 . 1 1 107 107 VAL H H 1 8.90 0.02 . 1 . . . . 134 VAL HN . 15504 1 1297 . 1 1 107 107 VAL HA H 1 3.76 0.02 . 1 . . . . 134 VAL HA . 15504 1 1298 . 1 1 107 107 VAL HB H 1 1.99 0.02 . 1 . . . . 134 VAL HB . 15504 1 1299 . 1 1 107 107 VAL HG11 H 1 1.00 0.02 . 2 . . . . 134 VAL HG11 . 15504 1 1300 . 1 1 107 107 VAL HG12 H 1 1.00 0.02 . 2 . . . . 134 VAL HG11 . 15504 1 1301 . 1 1 107 107 VAL HG13 H 1 1.00 0.02 . 2 . . . . 134 VAL HG11 . 15504 1 1302 . 1 1 107 107 VAL HG21 H 1 0.82 0.02 . 2 . . . . 134 VAL HG21 . 15504 1 1303 . 1 1 107 107 VAL HG22 H 1 0.82 0.02 . 2 . . . . 134 VAL HG21 . 15504 1 1304 . 1 1 107 107 VAL HG23 H 1 0.82 0.02 . 2 . . . . 134 VAL HG21 . 15504 1 1305 . 1 1 107 107 VAL C C 13 175.34 0.2 . 1 . . . . 134 VAL C . 15504 1 1306 . 1 1 107 107 VAL CA C 13 64.23 0.2 . 1 . . . . 134 VAL CA . 15504 1 1307 . 1 1 107 107 VAL CB C 13 31.16 0.2 . 1 . . . . 134 VAL CB . 15504 1 1308 . 1 1 107 107 VAL CG1 C 13 22.67 0.2 . 2 . . . . 134 VAL CG1 . 15504 1 1309 . 1 1 107 107 VAL CG2 C 13 22.29 0.2 . 2 . . . . 134 VAL CG2 . 15504 1 1310 . 1 1 107 107 VAL N N 15 125.99 0.2 . 1 . . . . 134 VAL N . 15504 1 1311 . 1 1 108 108 LYS H H 1 9.25 0.02 . 1 . . . . 135 LYS HN . 15504 1 1312 . 1 1 108 108 LYS HA H 1 4.81 0.02 . 1 . . . . 135 LYS HA . 15504 1 1313 . 1 1 108 108 LYS HB2 H 1 1.73 0.02 . 2 . . . . 135 LYS HB1 . 15504 1 1314 . 1 1 108 108 LYS HB3 H 1 1.67 0.02 . 2 . . . . 135 LYS HB2 . 15504 1 1315 . 1 1 108 108 LYS HD2 H 1 1.72 0.02 . 2 . . . . 135 LYS HD1 . 15504 1 1316 . 1 1 108 108 LYS HD3 H 1 1.66 0.02 . 2 . . . . 135 LYS HD2 . 15504 1 1317 . 1 1 108 108 LYS HE2 H 1 3.21 0.02 . 2 . . . . 135 LYS HE1 . 15504 1 1318 . 1 1 108 108 LYS HE3 H 1 3.21 0.02 . 2 . . . . 135 LYS HE2 . 15504 1 1319 . 1 1 108 108 LYS HG2 H 1 1.81 0.02 . 2 . . . . 135 LYS HG1 . 15504 1 1320 . 1 1 108 108 LYS HG3 H 1 1.81 0.02 . 2 . . . . 135 LYS HG2 . 15504 1 1321 . 1 1 108 108 LYS C C 13 174.39 0.2 . 1 . . . . 135 LYS C . 15504 1 1322 . 1 1 108 108 LYS CA C 13 54.74 0.2 . 1 . . . . 135 LYS CA . 15504 1 1323 . 1 1 108 108 LYS CB C 13 34.69 0.2 . 1 . . . . 135 LYS CB . 15504 1 1324 . 1 1 108 108 LYS CD C 13 28.52 0.2 . 1 . . . . 135 LYS CD . 15504 1 1325 . 1 1 108 108 LYS CE C 13 42.53 0.2 . 1 . . . . 135 LYS CE . 15504 1 1326 . 1 1 108 108 LYS CG C 13 24.50 0.2 . 1 . . . . 135 LYS CG . 15504 1 1327 . 1 1 108 108 LYS N N 15 126.06 0.2 . 1 . . . . 135 LYS N . 15504 1 1328 . 1 1 109 109 LEU H H 1 7.69 0.02 . 1 . . . . 136 LEU HN . 15504 1 1329 . 1 1 109 109 LEU HA H 1 4.82 0.02 . 1 . . . . 136 LEU HA . 15504 1 1330 . 1 1 109 109 LEU HB2 H 1 1.33 0.02 . 2 . . . . 136 LEU HB1 . 15504 1 1331 . 1 1 109 109 LEU HB3 H 1 1.09 0.02 . 2 . . . . 136 LEU HB2 . 15504 1 1332 . 1 1 109 109 LEU HD11 H 1 0.42 0.02 . 2 . . . . 136 LEU HD11 . 15504 1 1333 . 1 1 109 109 LEU HD12 H 1 0.42 0.02 . 2 . . . . 136 LEU HD11 . 15504 1 1334 . 1 1 109 109 LEU HD13 H 1 0.42 0.02 . 2 . . . . 136 LEU HD11 . 15504 1 1335 . 1 1 109 109 LEU HD21 H 1 0.11 0.02 . 2 . . . . 136 LEU HD21 . 15504 1 1336 . 1 1 109 109 LEU HD22 H 1 0.11 0.02 . 2 . . . . 136 LEU HD21 . 15504 1 1337 . 1 1 109 109 LEU HD23 H 1 0.11 0.02 . 2 . . . . 136 LEU HD21 . 15504 1 1338 . 1 1 109 109 LEU HG H 1 1.17 0.02 . 1 . . . . 136 LEU HG . 15504 1 1339 . 1 1 109 109 LEU C C 13 172.45 0.2 . 1 . . . . 136 LEU C . 15504 1 1340 . 1 1 109 109 LEU CA C 13 53.25 0.2 . 1 . . . . 136 LEU CA . 15504 1 1341 . 1 1 109 109 LEU CB C 13 47.80 0.2 . 1 . . . . 136 LEU CB . 15504 1 1342 . 1 1 109 109 LEU CD1 C 13 25.18 0.2 . 2 . . . . 136 LEU CD1 . 15504 1 1343 . 1 1 109 109 LEU CD2 C 13 27.14 0.2 . 2 . . . . 136 LEU CD2 . 15504 1 1344 . 1 1 109 109 LEU CG C 13 26.49 0.2 . 1 . . . . 136 LEU CG . 15504 1 1345 . 1 1 109 109 LEU N N 15 116.67 0.2 . 1 . . . . 136 LEU N . 15504 1 1346 . 1 1 110 110 LYS H H 1 9.17 0.02 . 1 . . . . 137 LYS HN . 15504 1 1347 . 1 1 110 110 LYS HA H 1 5.05 0.02 . 1 . . . . 137 LYS HA . 15504 1 1348 . 1 1 110 110 LYS HB2 H 1 1.48 0.02 . 2 . . . . 137 LYS HB1 . 15504 1 1349 . 1 1 110 110 LYS HB3 H 1 1.48 0.02 . 2 . . . . 137 LYS HB2 . 15504 1 1350 . 1 1 110 110 LYS HD2 H 1 1.42 0.02 . 2 . . . . 137 LYS HD1 . 15504 1 1351 . 1 1 110 110 LYS HD3 H 1 1.42 0.02 . 2 . . . . 137 LYS HD2 . 15504 1 1352 . 1 1 110 110 LYS HE2 H 1 2.65 0.02 . 2 . . . . 137 LYS HE1 . 15504 1 1353 . 1 1 110 110 LYS HE3 H 1 2.65 0.02 . 2 . . . . 137 LYS HE2 . 15504 1 1354 . 1 1 110 110 LYS HG2 H 1 1.14 0.02 . 2 . . . . 137 LYS HG1 . 15504 1 1355 . 1 1 110 110 LYS HG3 H 1 1.14 0.02 . 2 . . . . 137 LYS HG2 . 15504 1 1356 . 1 1 110 110 LYS C C 13 172.76 0.2 . 1 . . . . 137 LYS C . 15504 1 1357 . 1 1 110 110 LYS CA C 13 54.09 0.2 . 1 . . . . 137 LYS CA . 15504 1 1358 . 1 1 110 110 LYS CB C 13 36.56 0.2 . 1 . . . . 137 LYS CB . 15504 1 1359 . 1 1 110 110 LYS CD C 13 30.01 0.2 . 1 . . . . 137 LYS CD . 15504 1 1360 . 1 1 110 110 LYS CE C 13 41.82 0.2 . 1 . . . . 137 LYS CE . 15504 1 1361 . 1 1 110 110 LYS CG C 13 24.55 0.2 . 1 . . . . 137 LYS CG . 15504 1 1362 . 1 1 110 110 LYS N N 15 117.05 0.2 . 1 . . . . 137 LYS N . 15504 1 1363 . 1 1 111 111 LEU H H 1 9.40 0.02 . 1 . . . . 138 LEU HN . 15504 1 1364 . 1 1 111 111 LEU HA H 1 5.25 0.02 . 1 . . . . 138 LEU HA . 15504 1 1365 . 1 1 111 111 LEU HB2 H 1 1.47 0.02 . 2 . . . . 138 LEU HB1 . 15504 1 1366 . 1 1 111 111 LEU HB3 H 1 0.98 0.02 . 2 . . . . 138 LEU HB2 . 15504 1 1367 . 1 1 111 111 LEU HD11 H 1 -0.18 0.02 . 2 . . . . 138 LEU HD11 . 15504 1 1368 . 1 1 111 111 LEU HD12 H 1 -0.18 0.02 . 2 . . . . 138 LEU HD11 . 15504 1 1369 . 1 1 111 111 LEU HD13 H 1 -0.18 0.02 . 2 . . . . 138 LEU HD11 . 15504 1 1370 . 1 1 111 111 LEU HD21 H 1 -1.00 0.02 . 2 . . . . 138 LEU HD21 . 15504 1 1371 . 1 1 111 111 LEU HD22 H 1 -1.00 0.02 . 2 . . . . 138 LEU HD21 . 15504 1 1372 . 1 1 111 111 LEU HD23 H 1 -1.00 0.02 . 2 . . . . 138 LEU HD21 . 15504 1 1373 . 1 1 111 111 LEU HG H 1 0.77 0.02 . 1 . . . . 138 LEU HG . 15504 1 1374 . 1 1 111 111 LEU C C 13 176.47 0.2 . 1 . . . . 138 LEU C . 15504 1 1375 . 1 1 111 111 LEU CA C 13 52.23 0.2 . 1 . . . . 138 LEU CA . 15504 1 1376 . 1 1 111 111 LEU CB C 13 42.81 0.2 . 1 . . . . 138 LEU CB . 15504 1 1377 . 1 1 111 111 LEU CD1 C 13 23.04 0.2 . 2 . . . . 138 LEU CD1 . 15504 1 1378 . 1 1 111 111 LEU CD2 C 13 21.92 0.2 . 2 . . . . 138 LEU CD2 . 15504 1 1379 . 1 1 111 111 LEU CG C 13 25.65 0.2 . 1 . . . . 138 LEU CG . 15504 1 1380 . 1 1 111 111 LEU N N 15 121.80 0.2 . 1 . . . . 138 LEU N . 15504 1 1381 . 1 1 112 112 ILE H H 1 9.08 0.02 . 1 . . . . 139 ILE HN . 15504 1 1382 . 1 1 112 112 ILE HA H 1 5.42 0.02 . 1 . . . . 139 ILE HA . 15504 1 1383 . 1 1 112 112 ILE HB H 1 1.87 0.02 . 1 . . . . 139 ILE HB . 15504 1 1384 . 1 1 112 112 ILE HD11 H 1 0.82 0.02 . 1 . . . . 139 ILE HD11 . 15504 1 1385 . 1 1 112 112 ILE HD12 H 1 0.82 0.02 . 1 . . . . 139 ILE HD11 . 15504 1 1386 . 1 1 112 112 ILE HD13 H 1 0.82 0.02 . 1 . . . . 139 ILE HD11 . 15504 1 1387 . 1 1 112 112 ILE HG12 H 1 1.49 0.02 . 2 . . . . 139 ILE HG11 . 15504 1 1388 . 1 1 112 112 ILE HG13 H 1 1.18 0.02 . 2 . . . . 139 ILE HG12 . 15504 1 1389 . 1 1 112 112 ILE HG21 H 1 0.94 0.02 . 1 . . . . 139 ILE HG21 . 15504 1 1390 . 1 1 112 112 ILE HG22 H 1 0.94 0.02 . 1 . . . . 139 ILE HG21 . 15504 1 1391 . 1 1 112 112 ILE HG23 H 1 0.94 0.02 . 1 . . . . 139 ILE HG21 . 15504 1 1392 . 1 1 112 112 ILE C C 13 175.71 0.2 . 1 . . . . 139 ILE C . 15504 1 1393 . 1 1 112 112 ILE CA C 13 59.17 0.2 . 1 . . . . 139 ILE CA . 15504 1 1394 . 1 1 112 112 ILE CB C 13 41.01 0.2 . 1 . . . . 139 ILE CB . 15504 1 1395 . 1 1 112 112 ILE CD1 C 13 13.44 0.2 . 1 . . . . 139 ILE CD1 . 15504 1 1396 . 1 1 112 112 ILE CG1 C 13 26.68 0.2 . 1 . . . . 139 ILE CG1 . 15504 1 1397 . 1 1 112 112 ILE CG2 C 13 17.35 0.2 . 1 . . . . 139 ILE CG2 . 15504 1 1398 . 1 1 112 112 ILE N N 15 120.35 0.2 . 1 . . . . 139 ILE N . 15504 1 1399 . 1 1 113 113 ARG H H 1 8.55 0.02 . 1 . . . . 140 ARG HN . 15504 1 1400 . 1 1 113 113 ARG HA H 1 3.94 0.02 . 1 . . . . 140 ARG HA . 15504 1 1401 . 1 1 113 113 ARG HB2 H 1 0.78 0.02 . 2 . . . . 140 ARG HB1 . 15504 1 1402 . 1 1 113 113 ARG HB3 H 1 0.78 0.02 . 2 . . . . 140 ARG HB2 . 15504 1 1403 . 1 1 113 113 ARG C C 13 176.03 0.2 . 1 . . . . 140 ARG C . 15504 1 1404 . 1 1 113 113 ARG CA C 13 56.18 0.2 . 1 . . . . 140 ARG CA . 15504 1 1405 . 1 1 113 113 ARG CB C 13 30.77 0.2 . 1 . . . . 140 ARG CB . 15504 1 1406 . 1 1 113 113 ARG CD C 13 43.00 0.2 . 1 . . . . 140 ARG CD . 15504 1 1407 . 1 1 113 113 ARG CG C 13 26.17 0.2 . 1 . . . . 140 ARG CG . 15504 1 1408 . 1 1 113 113 ARG N N 15 127.71 0.2 . 1 . . . . 140 ARG N . 15504 1 1409 . 1 1 114 114 GLY H H 1 8.53 0.02 . 1 . . . . 141 GLY HN . 15504 1 1410 . 1 1 114 114 GLY HA2 H 1 4.00 0.02 . 2 . . . . 141 GLY HA1 . 15504 1 1411 . 1 1 114 114 GLY HA3 H 1 3.82 0.02 . 2 . . . . 141 GLY HA2 . 15504 1 1412 . 1 1 114 114 GLY C C 13 172.65 0.2 . 1 . . . . 141 GLY C . 15504 1 1413 . 1 1 114 114 GLY CA C 13 45.10 0.2 . 1 . . . . 141 GLY CA . 15504 1 1414 . 1 1 114 114 GLY N N 15 111.41 0.2 . 1 . . . . 141 GLY N . 15504 1 1415 . 1 1 115 115 ILE H H 1 7.64 0.02 . 1 . . . . 142 ILE HN . 15504 1 1416 . 1 1 115 115 ILE HA H 1 4.04 0.02 . 1 . . . . 142 ILE HA . 15504 1 1417 . 1 1 115 115 ILE HB H 1 1.80 0.02 . 1 . . . . 142 ILE HB . 15504 1 1418 . 1 1 115 115 ILE HD11 H 1 0.77 0.02 . 1 . . . . 142 ILE HD11 . 15504 1 1419 . 1 1 115 115 ILE HD12 H 1 0.77 0.02 . 1 . . . . 142 ILE HD11 . 15504 1 1420 . 1 1 115 115 ILE HD13 H 1 0.77 0.02 . 1 . . . . 142 ILE HD11 . 15504 1 1421 . 1 1 115 115 ILE HG12 H 1 1.28 0.02 . 2 . . . . 142 ILE HG11 . 15504 1 1422 . 1 1 115 115 ILE HG13 H 1 1.02 0.02 . 2 . . . . 142 ILE HG12 . 15504 1 1423 . 1 1 115 115 ILE HG21 H 1 0.81 0.02 . 1 . . . . 142 ILE HG21 . 15504 1 1424 . 1 1 115 115 ILE HG22 H 1 0.81 0.02 . 1 . . . . 142 ILE HG21 . 15504 1 1425 . 1 1 115 115 ILE HG23 H 1 0.81 0.02 . 1 . . . . 142 ILE HG21 . 15504 1 1426 . 1 1 115 115 ILE CA C 13 62.67 0.2 . 1 . . . . 142 ILE CA . 15504 1 1427 . 1 1 115 115 ILE CB C 13 39.36 0.2 . 1 . . . . 142 ILE CB . 15504 1 1428 . 1 1 115 115 ILE CD1 C 13 13.81 0.2 . 1 . . . . 142 ILE CD1 . 15504 1 1429 . 1 1 115 115 ILE CG1 C 13 26.86 0.2 . 1 . . . . 142 ILE CG1 . 15504 1 1430 . 1 1 115 115 ILE CG2 C 13 17.82 0.2 . 1 . . . . 142 ILE CG2 . 15504 1 1431 . 1 1 115 115 ILE N N 15 123.41 0.2 . 1 . . . . 142 ILE N . 15504 1 1432 . 2 2 1 1 SER H H 1 8.38 0.02 . 1 . . . . 553 SER HN . 15504 1 1433 . 2 2 1 1 SER HA H 1 4.42 0.02 . 1 . . . . 553 SER HA . 15504 1 1434 . 2 2 1 1 SER HB2 H 1 3.87 0.02 . 2 . . . . 553 SER HB1 . 15504 1 1435 . 2 2 1 1 SER HB3 H 1 3.84 0.02 . 2 . . . . 553 SER HB2 . 15504 1 1436 . 2 2 2 2 GLU H H 1 8.73 0.02 . 1 . . . . 554 GLU HN . 15504 1 1437 . 2 2 2 2 GLU HA H 1 4.34 0.02 . 1 . . . . 554 GLU HA . 15504 1 1438 . 2 2 2 2 GLU HB2 H 1 2.12 0.02 . 2 . . . . 554 GLU HB1 . 15504 1 1439 . 2 2 2 2 GLU HB3 H 1 1.98 0.02 . 2 . . . . 554 GLU HB2 . 15504 1 1440 . 2 2 2 2 GLU HG2 H 1 2.32 0.02 . 2 . . . . 554 GLU HG1 . 15504 1 1441 . 2 2 2 2 GLU HG3 H 1 2.26 0.02 . 2 . . . . 554 GLU HG2 . 15504 1 1442 . 2 2 3 3 THR H H 1 8.01 0.02 . 1 . . . . 555 THR HN . 15504 1 1443 . 2 2 3 3 THR HA H 1 3.94 0.02 . 1 . . . . 555 THR HA . 15504 1 1444 . 2 2 3 3 THR HB H 1 4.94 0.02 . 1 . . . . 555 THR HB . 15504 1 1445 . 2 2 3 3 THR HG21 H 1 1.03 0.02 . 1 . . . . 555 THR HG21 . 15504 1 1446 . 2 2 3 3 THR HG22 H 1 1.03 0.02 . 1 . . . . 555 THR HG21 . 15504 1 1447 . 2 2 3 3 THR HG23 H 1 1.03 0.02 . 1 . . . . 555 THR HG21 . 15504 1 1448 . 2 2 4 4 THR H H 1 8.74 0.02 . 1 . . . . 556 THR HN . 15504 1 1449 . 2 2 4 4 THR HA H 1 3.73 0.02 . 1 . . . . 556 THR HA . 15504 1 1450 . 2 2 4 4 THR HB H 1 4.44 0.02 . 1 . . . . 556 THR HB . 15504 1 1451 . 2 2 4 4 THR HG21 H 1 1.11 0.02 . 1 . . . . 556 THR HG21 . 15504 1 1452 . 2 2 4 4 THR HG22 H 1 1.11 0.02 . 1 . . . . 556 THR HG21 . 15504 1 1453 . 2 2 4 4 THR HG23 H 1 1.11 0.02 . 1 . . . . 556 THR HG21 . 15504 1 1454 . 2 2 5 5 LEU H H 1 8.74 0.02 . 1 . . . . 557 LEU HN . 15504 1 1455 . 2 2 5 5 LEU HA H 1 4.23 0.02 . 1 . . . . 557 LEU HA . 15504 1 1456 . 2 2 5 5 LEU HB2 H 1 1.58 0.02 . 2 . . . . 557 LEU HB1 . 15504 1 1457 . 2 2 5 5 LEU HB3 H 1 1.55 0.02 . 2 . . . . 557 LEU HB2 . 15504 1 1458 . 2 2 5 5 LEU HD11 H 1 0.88 0.02 . 2 . . . . 557 LEU HD11 . 15504 1 1459 . 2 2 5 5 LEU HD12 H 1 0.88 0.02 . 2 . . . . 557 LEU HD11 . 15504 1 1460 . 2 2 5 5 LEU HD13 H 1 0.88 0.02 . 2 . . . . 557 LEU HD11 . 15504 1 1461 . 2 2 5 5 LEU HD21 H 1 0.81 0.02 . 2 . . . . 557 LEU HD21 . 15504 1 1462 . 2 2 5 5 LEU HD22 H 1 0.81 0.02 . 2 . . . . 557 LEU HD21 . 15504 1 1463 . 2 2 5 5 LEU HD23 H 1 0.81 0.02 . 2 . . . . 557 LEU HD21 . 15504 1 1464 . 2 2 5 5 LEU HG H 1 1.47 0.02 . 1 . . . . 557 LEU HG . 15504 1 1465 . 2 2 6 6 LEU H H 1 8.31 0.02 . 1 . . . . 558 LEU HN . 15504 1 1466 . 2 2 6 6 LEU HA H 1 4.53 0.02 . 1 . . . . 558 LEU HA . 15504 1 1467 . 2 2 6 6 LEU HB2 H 1 1.18 0.02 . 2 . . . . 558 LEU HB1 . 15504 1 1468 . 2 2 6 6 LEU HB3 H 1 1.18 0.02 . 2 . . . . 558 LEU HB2 . 15504 1 1469 . 2 2 6 6 LEU HD11 H 1 0.32 0.02 . 2 . . . . 558 LEU HD11 . 15504 1 1470 . 2 2 6 6 LEU HD12 H 1 0.32 0.02 . 2 . . . . 558 LEU HD11 . 15504 1 1471 . 2 2 6 6 LEU HD13 H 1 0.32 0.02 . 2 . . . . 558 LEU HD11 . 15504 1 1472 . 2 2 6 6 LEU HD21 H 1 0.01 0.02 . 2 . . . . 558 LEU HD21 . 15504 1 1473 . 2 2 6 6 LEU HD22 H 1 0.01 0.02 . 2 . . . . 558 LEU HD21 . 15504 1 1474 . 2 2 6 6 LEU HD23 H 1 0.01 0.02 . 2 . . . . 558 LEU HD21 . 15504 1 1475 . 2 2 6 6 LEU HG H 1 0.60 0.02 . 1 . . . . 558 LEU HG . 15504 1 1476 . 2 2 7 7 GLU H H 1 7.63 0.02 . 1 . . . . 559 GLU HN . 15504 1 1477 . 2 2 7 7 GLU HA H 1 4.31 0.02 . 1 . . . . 559 GLU HA . 15504 1 1478 . 2 2 7 7 GLU HB2 H 1 1.97 0.02 . 2 . . . . 559 GLU HB1 . 15504 1 1479 . 2 2 7 7 GLU HB3 H 1 1.91 0.02 . 2 . . . . 559 GLU HB2 . 15504 1 1480 . 2 2 7 7 GLU HG2 H 1 2.13 0.02 . 2 . . . . 559 GLU HG1 . 15504 1 1481 . 2 2 7 7 GLU HG3 H 1 2.13 0.02 . 2 . . . . 559 GLU HG2 . 15504 1 1482 . 2 2 8 8 ASP H H 1 7.08 0.02 . 1 . . . . 560 ASP HN . 15504 1 1483 . 2 2 8 8 ASP HA H 1 3.32 0.02 . 1 . . . . 560 ASP HA . 15504 1 1484 . 2 2 8 8 ASP HB2 H 1 2.74 0.02 . 2 . . . . 560 ASP HB1 . 15504 1 1485 . 2 2 8 8 ASP HB3 H 1 2.68 0.02 . 2 . . . . 560 ASP HB2 . 15504 1 1486 . 2 2 9 9 GLU H H 1 8.58 0.02 . 1 . . . . 561 GLU HN . 15504 1 1487 . 2 2 9 9 GLU HA H 1 3.75 0.02 . 1 . . . . 561 GLU HA . 15504 1 1488 . 2 2 9 9 GLU HB2 H 1 2.16 0.02 . 2 . . . . 561 GLU HB1 . 15504 1 1489 . 2 2 9 9 GLU HB3 H 1 2.16 0.02 . 2 . . . . 561 GLU HB2 . 15504 1 1490 . 2 2 9 9 GLU HG2 H 1 2.56 0.02 . 2 . . . . 561 GLU HG1 . 15504 1 1491 . 2 2 9 9 GLU HG3 H 1 2.56 0.02 . 2 . . . . 561 GLU HG2 . 15504 1 1492 . 2 2 10 10 LYS H H 1 8.10 0.02 . 1 . . . . 562 LYS HN . 15504 1 1493 . 2 2 10 10 LYS HA H 1 3.99 0.02 . 1 . . . . 562 LYS HA . 15504 1 1494 . 2 2 10 10 LYS HB2 H 1 1.83 0.02 . 2 . . . . 562 LYS HB1 . 15504 1 1495 . 2 2 10 10 LYS HB3 H 1 1.74 0.02 . 2 . . . . 562 LYS HB2 . 15504 1 1496 . 2 2 10 10 LYS HG2 H 1 1.42 0.02 . 2 . . . . 562 LYS HG1 . 15504 1 1497 . 2 2 10 10 LYS HG3 H 1 1.38 0.02 . 2 . . . . 562 LYS HG2 . 15504 1 1498 . 2 2 11 11 SER H H 1 8.47 0.02 . 1 . . . . 563 SER HN . 15504 1 1499 . 2 2 11 11 SER HA H 1 4.17 0.02 . 1 . . . . 563 SER HA . 15504 1 1500 . 2 2 11 11 SER HB2 H 1 3.82 0.02 . 2 . . . . 563 SER HB1 . 15504 1 1501 . 2 2 11 11 SER HB3 H 1 3.82 0.02 . 2 . . . . 563 SER HB2 . 15504 1 1502 . 2 2 12 12 LEU H H 1 7.76 0.02 . 1 . . . . 564 LEU HN . 15504 1 1503 . 2 2 12 12 LEU HA H 1 3.98 0.02 . 1 . . . . 564 LEU HA . 15504 1 1504 . 2 2 12 12 LEU HB2 H 1 2.07 0.02 . 2 . . . . 564 LEU HB1 . 15504 1 1505 . 2 2 12 12 LEU HB3 H 1 1.33 0.02 . 2 . . . . 564 LEU HB2 . 15504 1 1506 . 2 2 12 12 LEU HD11 H 1 0.64 0.02 . 2 . . . . 564 LEU HD11 . 15504 1 1507 . 2 2 12 12 LEU HD12 H 1 0.64 0.02 . 2 . . . . 564 LEU HD11 . 15504 1 1508 . 2 2 12 12 LEU HD13 H 1 0.64 0.02 . 2 . . . . 564 LEU HD11 . 15504 1 1509 . 2 2 12 12 LEU HD21 H 1 0.26 0.02 . 2 . . . . 564 LEU HD21 . 15504 1 1510 . 2 2 12 12 LEU HD22 H 1 0.26 0.02 . 2 . . . . 564 LEU HD21 . 15504 1 1511 . 2 2 12 12 LEU HD23 H 1 0.26 0.02 . 2 . . . . 564 LEU HD21 . 15504 1 1512 . 2 2 12 12 LEU HG H 1 1.18 0.02 . 1 . . . . 564 LEU HG . 15504 1 1513 . 2 2 13 13 VAL H H 1 8.56 0.02 . 1 . . . . 565 VAL HN . 15504 1 1514 . 2 2 13 13 VAL HA H 1 3.42 0.02 . 1 . . . . 565 VAL HA . 15504 1 1515 . 2 2 13 13 VAL HB H 1 2.16 0.02 . 1 . . . . 565 VAL HB . 15504 1 1516 . 2 2 13 13 VAL HG11 H 1 1.18 0.02 . 2 . . . . 565 VAL HG11 . 15504 1 1517 . 2 2 13 13 VAL HG12 H 1 1.18 0.02 . 2 . . . . 565 VAL HG11 . 15504 1 1518 . 2 2 13 13 VAL HG13 H 1 1.18 0.02 . 2 . . . . 565 VAL HG11 . 15504 1 1519 . 2 2 13 13 VAL HG21 H 1 0.98 0.02 . 2 . . . . 565 VAL HG21 . 15504 1 1520 . 2 2 13 13 VAL HG22 H 1 0.98 0.02 . 2 . . . . 565 VAL HG21 . 15504 1 1521 . 2 2 13 13 VAL HG23 H 1 0.98 0.02 . 2 . . . . 565 VAL HG21 . 15504 1 1522 . 2 2 14 14 SER H H 1 8.02 0.02 . 1 . . . . 566 SER HN . 15504 1 1523 . 2 2 14 14 SER HA H 1 4.20 0.02 . 1 . . . . 566 SER HA . 15504 1 1524 . 2 2 14 14 SER HB2 H 1 3.94 0.02 . 2 . . . . 566 SER HB1 . 15504 1 1525 . 2 2 14 14 SER HB3 H 1 3.94 0.02 . 2 . . . . 566 SER HB2 . 15504 1 1526 . 2 2 15 15 TYR H H 1 7.84 0.02 . 1 . . . . 567 TYR HN . 15504 1 1527 . 2 2 15 15 TYR HA H 1 4.03 0.02 . 1 . . . . 567 TYR HA . 15504 1 1528 . 2 2 15 15 TYR HB2 H 1 3.13 0.02 . 2 . . . . 567 TYR HB1 . 15504 1 1529 . 2 2 15 15 TYR HB3 H 1 2.93 0.02 . 2 . . . . 567 TYR HB2 . 15504 1 1530 . 2 2 15 15 TYR HD1 H 1 6.85 0.02 . 3 . . . . 567 TYR HD1 . 15504 1 1531 . 2 2 15 15 TYR HD2 H 1 6.85 0.02 . 3 . . . . 567 TYR HD2 . 15504 1 1532 . 2 2 15 15 TYR HE1 H 1 6.78 0.02 . 3 . . . . 567 TYR HE1 . 15504 1 1533 . 2 2 15 15 TYR HE2 H 1 6.78 0.02 . 3 . . . . 567 TYR HE2 . 15504 1 1534 . 2 2 16 16 LEU H H 1 8.09 0.02 . 1 . . . . 568 LEU HN . 15504 1 1535 . 2 2 16 16 LEU HA H 1 4.13 0.02 . 1 . . . . 568 LEU HA . 15504 1 1536 . 2 2 16 16 LEU HB2 H 1 1.72 0.02 . 2 . . . . 568 LEU HB1 . 15504 1 1537 . 2 2 16 16 LEU HB3 H 1 1.72 0.02 . 2 . . . . 568 LEU HB2 . 15504 1 1538 . 2 2 16 16 LEU HD11 H 1 0.78 0.02 . 2 . . . . 568 LEU HD11 . 15504 1 1539 . 2 2 16 16 LEU HD12 H 1 0.78 0.02 . 2 . . . . 568 LEU HD11 . 15504 1 1540 . 2 2 16 16 LEU HD13 H 1 0.78 0.02 . 2 . . . . 568 LEU HD11 . 15504 1 1541 . 2 2 16 16 LEU HD21 H 1 0.17 0.02 . 2 . . . . 568 LEU HD21 . 15504 1 1542 . 2 2 16 16 LEU HD22 H 1 0.17 0.02 . 2 . . . . 568 LEU HD21 . 15504 1 1543 . 2 2 16 16 LEU HD23 H 1 0.17 0.02 . 2 . . . . 568 LEU HD21 . 15504 1 1544 . 2 2 16 16 LEU HG H 1 1.35 0.02 . 1 . . . . 568 LEU HG . 15504 1 1545 . 2 2 17 17 ASN H H 1 7.68 0.02 . 1 . . . . 569 ASN HN . 15504 1 1546 . 2 2 17 17 ASN HA H 1 4.66 0.02 . 1 . . . . 569 ASN HA . 15504 1 1547 . 2 2 17 17 ASN HB2 H 1 2.91 0.02 . 2 . . . . 569 ASN HB1 . 15504 1 1548 . 2 2 17 17 ASN HB3 H 1 2.65 0.02 . 2 . . . . 569 ASN HB2 . 15504 1 1549 . 2 2 17 17 ASN HD21 H 1 7.59 0.02 . 2 . . . . 569 ASN HD21 . 15504 1 1550 . 2 2 17 17 ASN HD22 H 1 6.96 0.02 . 2 . . . . 569 ASN HD22 . 15504 1 1551 . 2 2 18 18 TYR H H 1 7.47 0.02 . 1 . . . . 570 TYR HN . 15504 1 1552 . 2 2 18 18 TYR HA H 1 4.32 0.02 . 1 . . . . 570 TYR HA . 15504 1 1553 . 2 2 18 18 TYR HB2 H 1 2.96 0.02 . 2 . . . . 570 TYR HB1 . 15504 1 1554 . 2 2 18 18 TYR HB3 H 1 2.96 0.02 . 2 . . . . 570 TYR HB2 . 15504 1 1555 . 2 2 18 18 TYR HD1 H 1 7.09 0.02 . 3 . . . . 570 TYR HD1 . 15504 1 1556 . 2 2 18 18 TYR HD2 H 1 7.09 0.02 . 3 . . . . 570 TYR HD2 . 15504 1 1557 . 2 2 18 18 TYR HE1 H 1 6.85 0.02 . 3 . . . . 570 TYR HE1 . 15504 1 1558 . 2 2 18 18 TYR HE2 H 1 6.85 0.02 . 3 . . . . 570 TYR HE2 . 15504 1 1559 . 2 2 19 19 ACE H21 H 1 2.05 0.02 . 1 . . . . 570 ACE HA1 . 15504 1 1560 . 2 2 19 19 ACE H22 H 1 2.05 0.02 . 1 . . . . 570 ACE HA2 . 15504 1 1561 . 2 2 19 19 ACE H23 H 1 2.05 0.02 . 1 . . . . 570 ACE HA3 . 15504 1 stop_ save_