data_26769 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26769 _Entry.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-24 _Entry.Accession_date 2016-03-24 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Lorena Varela-Alvarez . . . . 26769 2 Christian Bell . . . . 26769 3 Judith Armitage . . . . 26769 4 Christina Redfield . . . . 26769 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Oxford' . 26769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 26769 '15N chemical shifts' 112 26769 '1H chemical shifts' 790 26769 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 . . 2016-10-26 2016-03-24 update BMRB 'update entry citation' 26769 1 . . 2016-09-02 2016-03-24 original author 'original release' 26769 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26776 'response regulator CheY3 at pH 7.25 with BeF3-' 26769 BMRB 26777 'response regulator CheY3 at pH 4.5 with BeF3-' 26769 BMRB 26778 'response regulator CheY3 at pH 4.5 in the absence of BeF3-' 26769 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26769 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27468962 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 373 _Citation.Page_last 378 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lorena Varela-Alvarez . . . . 26769 1 2 Christian Bell . . . . 26769 1 3 Judith Armitage . . . . 26769 1 4 Christina Redfield . . . . 26769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26769 _Assembly.ID 1 _Assembly.Name CheY3_noBeF3_pH7.4 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CheY3_noBeF3_pH7.4 1 $CheY3_noBeF3_pH7-4 A . yes native yes no . . . 26769 1 2 Mg2+ 2 $entity_MG A . no na yes no . . . 26769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CheY3_noBeF3_pH7-4 _Entity.Sf_category entity _Entity.Sf_framecode CheY3_noBeF3_pH7-4 _Entity.Entry_ID 26769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CheY3_noBeF3_pH7.4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSSRTVLAVD DSPSVRSMVAMTLREAGYRV IEATDGREGLEKALSEPVDA IITDQNMPNLDGLGFIRAFR EHPESKGKPIIFLSTDSADT LKQQAREAGAMGWMVKPFTQ PQLLAVIKKVLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The protein contains an N-terminal His6 tag preceded by MRGS. We are not providing assignments for the non-native tag residues. The numbering we use ignores the tag so that the first 'native' residue is 1. ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -10 MET . 26769 1 2 -9 ARG . 26769 1 3 -8 GLY . 26769 1 4 -7 SER . 26769 1 5 -6 HIS . 26769 1 6 -5 HIS . 26769 1 7 -4 HIS . 26769 1 8 -3 HIS . 26769 1 9 -2 HIS . 26769 1 10 -1 HIS . 26769 1 11 0 GLY . 26769 1 12 1 SER . 26769 1 13 2 SER . 26769 1 14 3 ARG . 26769 1 15 4 THR . 26769 1 16 5 VAL . 26769 1 17 6 LEU . 26769 1 18 7 ALA . 26769 1 19 8 VAL . 26769 1 20 9 ASP . 26769 1 21 10 ASP . 26769 1 22 11 SER . 26769 1 23 12 PRO . 26769 1 24 13 SER . 26769 1 25 14 VAL . 26769 1 26 15 ARG . 26769 1 27 16 SER . 26769 1 28 17 MET . 26769 1 29 18 VAL . 26769 1 30 19 ALA . 26769 1 31 20 MET . 26769 1 32 21 THR . 26769 1 33 22 LEU . 26769 1 34 23 ARG . 26769 1 35 24 GLU . 26769 1 36 25 ALA . 26769 1 37 26 GLY . 26769 1 38 27 TYR . 26769 1 39 28 ARG . 26769 1 40 29 VAL . 26769 1 41 30 ILE . 26769 1 42 31 GLU . 26769 1 43 32 ALA . 26769 1 44 33 THR . 26769 1 45 34 ASP . 26769 1 46 35 GLY . 26769 1 47 36 ARG . 26769 1 48 37 GLU . 26769 1 49 38 GLY . 26769 1 50 39 LEU . 26769 1 51 40 GLU . 26769 1 52 41 LYS . 26769 1 53 42 ALA . 26769 1 54 43 LEU . 26769 1 55 44 SER . 26769 1 56 45 GLU . 26769 1 57 46 PRO . 26769 1 58 47 VAL . 26769 1 59 48 ASP . 26769 1 60 49 ALA . 26769 1 61 50 ILE . 26769 1 62 51 ILE . 26769 1 63 52 THR . 26769 1 64 53 ASP . 26769 1 65 54 GLN . 26769 1 66 55 ASN . 26769 1 67 56 MET . 26769 1 68 57 PRO . 26769 1 69 58 ASN . 26769 1 70 59 LEU . 26769 1 71 60 ASP . 26769 1 72 61 GLY . 26769 1 73 62 LEU . 26769 1 74 63 GLY . 26769 1 75 64 PHE . 26769 1 76 65 ILE . 26769 1 77 66 ARG . 26769 1 78 67 ALA . 26769 1 79 68 PHE . 26769 1 80 69 ARG . 26769 1 81 70 GLU . 26769 1 82 71 HIS . 26769 1 83 72 PRO . 26769 1 84 73 GLU . 26769 1 85 74 SER . 26769 1 86 75 LYS . 26769 1 87 76 GLY . 26769 1 88 77 LYS . 26769 1 89 78 PRO . 26769 1 90 79 ILE . 26769 1 91 80 ILE . 26769 1 92 81 PHE . 26769 1 93 82 LEU . 26769 1 94 83 SER . 26769 1 95 84 THR . 26769 1 96 85 ASP . 26769 1 97 86 SER . 26769 1 98 87 ALA . 26769 1 99 88 ASP . 26769 1 100 89 THR . 26769 1 101 90 LEU . 26769 1 102 91 LYS . 26769 1 103 92 GLN . 26769 1 104 93 GLN . 26769 1 105 94 ALA . 26769 1 106 95 ARG . 26769 1 107 96 GLU . 26769 1 108 97 ALA . 26769 1 109 98 GLY . 26769 1 110 99 ALA . 26769 1 111 100 MET . 26769 1 112 101 GLY . 26769 1 113 102 TRP . 26769 1 114 103 MET . 26769 1 115 104 VAL . 26769 1 116 105 LYS . 26769 1 117 106 PRO . 26769 1 118 107 PHE . 26769 1 119 108 THR . 26769 1 120 109 GLN . 26769 1 121 110 PRO . 26769 1 122 111 GLN . 26769 1 123 112 LEU . 26769 1 124 113 LEU . 26769 1 125 114 ALA . 26769 1 126 115 VAL . 26769 1 127 116 ILE . 26769 1 128 117 LYS . 26769 1 129 118 LYS . 26769 1 130 119 VAL . 26769 1 131 120 LEU . 26769 1 132 121 GLY . 26769 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 . MET 1 1 26769 1 . ARG 2 2 26769 1 . GLY 3 3 26769 1 . SER 4 4 26769 1 . HIS 5 5 26769 1 . HIS 6 6 26769 1 . HIS 7 7 26769 1 . HIS 8 8 26769 1 . HIS 9 9 26769 1 . HIS 10 10 26769 1 . GLY 11 11 26769 1 . SER 12 12 26769 1 . SER 13 13 26769 1 . ARG 14 14 26769 1 . THR 15 15 26769 1 . VAL 16 16 26769 1 . LEU 17 17 26769 1 . ALA 18 18 26769 1 . VAL 19 19 26769 1 . ASP 20 20 26769 1 . ASP 21 21 26769 1 . SER 22 22 26769 1 . PRO 23 23 26769 1 . SER 24 24 26769 1 . VAL 25 25 26769 1 . ARG 26 26 26769 1 . SER 27 27 26769 1 . MET 28 28 26769 1 . VAL 29 29 26769 1 . ALA 30 30 26769 1 . MET 31 31 26769 1 . THR 32 32 26769 1 . LEU 33 33 26769 1 . ARG 34 34 26769 1 . GLU 35 35 26769 1 . ALA 36 36 26769 1 . GLY 37 37 26769 1 . TYR 38 38 26769 1 . ARG 39 39 26769 1 . VAL 40 40 26769 1 . ILE 41 41 26769 1 . GLU 42 42 26769 1 . ALA 43 43 26769 1 . THR 44 44 26769 1 . ASP 45 45 26769 1 . GLY 46 46 26769 1 . ARG 47 47 26769 1 . GLU 48 48 26769 1 . GLY 49 49 26769 1 . LEU 50 50 26769 1 . GLU 51 51 26769 1 . LYS 52 52 26769 1 . ALA 53 53 26769 1 . LEU 54 54 26769 1 . SER 55 55 26769 1 . GLU 56 56 26769 1 . PRO 57 57 26769 1 . VAL 58 58 26769 1 . ASP 59 59 26769 1 . ALA 60 60 26769 1 . ILE 61 61 26769 1 . ILE 62 62 26769 1 . THR 63 63 26769 1 . ASP 64 64 26769 1 . GLN 65 65 26769 1 . ASN 66 66 26769 1 . MET 67 67 26769 1 . PRO 68 68 26769 1 . ASN 69 69 26769 1 . LEU 70 70 26769 1 . ASP 71 71 26769 1 . GLY 72 72 26769 1 . LEU 73 73 26769 1 . GLY 74 74 26769 1 . PHE 75 75 26769 1 . ILE 76 76 26769 1 . ARG 77 77 26769 1 . ALA 78 78 26769 1 . PHE 79 79 26769 1 . ARG 80 80 26769 1 . GLU 81 81 26769 1 . HIS 82 82 26769 1 . PRO 83 83 26769 1 . GLU 84 84 26769 1 . SER 85 85 26769 1 . LYS 86 86 26769 1 . GLY 87 87 26769 1 . LYS 88 88 26769 1 . PRO 89 89 26769 1 . ILE 90 90 26769 1 . ILE 91 91 26769 1 . PHE 92 92 26769 1 . LEU 93 93 26769 1 . SER 94 94 26769 1 . THR 95 95 26769 1 . ASP 96 96 26769 1 . SER 97 97 26769 1 . ALA 98 98 26769 1 . ASP 99 99 26769 1 . THR 100 100 26769 1 . LEU 101 101 26769 1 . LYS 102 102 26769 1 . GLN 103 103 26769 1 . GLN 104 104 26769 1 . ALA 105 105 26769 1 . ARG 106 106 26769 1 . GLU 107 107 26769 1 . ALA 108 108 26769 1 . GLY 109 109 26769 1 . ALA 110 110 26769 1 . MET 111 111 26769 1 . GLY 112 112 26769 1 . TRP 113 113 26769 1 . MET 114 114 26769 1 . VAL 115 115 26769 1 . LYS 116 116 26769 1 . PRO 117 117 26769 1 . PHE 118 118 26769 1 . THR 119 119 26769 1 . GLN 120 120 26769 1 . PRO 121 121 26769 1 . GLN 122 122 26769 1 . LEU 123 123 26769 1 . LEU 124 124 26769 1 . ALA 125 125 26769 1 . VAL 126 126 26769 1 . ILE 127 127 26769 1 . LYS 128 128 26769 1 . LYS 129 129 26769 1 . VAL 130 130 26769 1 . LEU 131 131 26769 1 . GLY 132 132 26769 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 26769 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 26769 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 26769 2 MG 'Three letter code' 26769 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 26769 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 26769 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CheY3_noBeF3_pH7-4 . 1063 organism . 'Rhodobacter sphaeroides' 'Rhodobacter sphaeroides' . . Bacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . 26769 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 26769 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CheY3_noBeF3_pH7-4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-80 . . . 26769 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 26769 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _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 PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 InChI=1S/Mg/q+2 InChI InChI 1.03 26769 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 26769 MG [Mg++] SMILES CACTVS 3.341 26769 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 26769 MG [Mg+2] SMILES ACDLabs 10.04 26769 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 26769 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26769 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 26769 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26769 MG 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 MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26769 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_1_15N _Sample.Entry_ID 26769 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CheY3_noBeF3_pH7.4 '[U-99% 15N]' . . 1 $CheY3_noBeF3_pH7-4 . . 0.7 . . mM . . . . 26769 1 2 Mg2+ 'natural abundance' . . . . . . 15 . . mM . . . . 26769 1 3 'Sodium Acetate' 'natural abundance' . . . . . . 7 . . mM . . . . 26769 1 stop_ save_ save_sample_2_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode sample_2_15N_13C _Sample.Entry_ID 26769 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 CheY3_noBeF3_pH7.4 '[U-99% 13C; U-99% 15N]' . . 1 $CheY3_noBeF3_pH7-4 . . 0.7 . . mM . . . . 26769 2 2 Mg2+ 'natural abundance' . . . . . . 15 . . mM . . . . 26769 2 3 'Sodium Acetate' 'natural abundance' . . . . . . 7 . . mM . . . . 26769 2 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 26769 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26769 1 pressure 1 . atm 26769 1 temperature 293 . K 26769 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26769 _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' . . 26769 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26769 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26769 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26769 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26769 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_500 _NMR_spectrometer.Entry_ID 26769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26769 _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 Bruker_500 Bruker Avance . 500 'with cryoprobe' . . 26769 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 26769 _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_15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 5 '3D CBCANH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 9 '3D HNCACO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26769 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 26769 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26769 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26769 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26769 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 26769 _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 1 '2D 1H-15N HSQC' . . . 26769 1 2 '3D 1H-15N NOESY' . . . 26769 1 3 '2D 1H-15N HSQC' . . . 26769 1 4 '3D HNCA' . . . 26769 1 5 '3D CBCANH' . . . 26769 1 6 '3D CBCA(CO)NH' . . . 26769 1 7 '3D HBHA(CO)NH' . . . 26769 1 8 '3D HCCH-TOCSY' . . . 26769 1 9 '3D HNCACO' . . . 26769 1 10 '3D HNCO' . . . 26769 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 13 13 SER HA H 1 4.507 0.020 . 1 . . . . 2 SER HA . 26769 1 2 . 1 1 13 13 SER HB2 H 1 3.904 0.020 . 2 . . . . 2 SER HB2 . 26769 1 3 . 1 1 13 13 SER HB3 H 1 3.826 0.020 . 2 . . . . 2 SER HB3 . 26769 1 4 . 1 1 13 13 SER C C 13 174.244 0.200 . 1 . . . . 2 SER C . 26769 1 5 . 1 1 13 13 SER CA C 13 58.509 0.200 . 1 . . . . 2 SER CA . 26769 1 6 . 1 1 13 13 SER CB C 13 64.165 0.200 . 1 . . . . 2 SER CB . 26769 1 7 . 1 1 14 14 ARG H H 1 8.547 0.020 . 1 . . . . 3 ARG H . 26769 1 8 . 1 1 14 14 ARG HA H 1 4.657 0.020 . 1 . . . . 3 ARG HA . 26769 1 9 . 1 1 14 14 ARG HB2 H 1 1.904 0.020 . 2 . . . . 3 ARG HB2 . 26769 1 10 . 1 1 14 14 ARG HB3 H 1 1.752 0.020 . 2 . . . . 3 ARG HB3 . 26769 1 11 . 1 1 14 14 ARG HG2 H 1 1.740 0.020 . 2 . . . . 3 ARG HG2 . 26769 1 12 . 1 1 14 14 ARG HG3 H 1 1.737 0.020 . 2 . . . . 3 ARG HG3 . 26769 1 13 . 1 1 14 14 ARG HD2 H 1 3.079 0.020 . 2 . . . . 3 ARG HD2 . 26769 1 14 . 1 1 14 14 ARG HD3 H 1 3.205 0.020 . 2 . . . . 3 ARG HD3 . 26769 1 15 . 1 1 14 14 ARG C C 13 175.453 0.200 . 1 . . . . 3 ARG C . 26769 1 16 . 1 1 14 14 ARG CA C 13 55.684 0.200 . 1 . . . . 3 ARG CA . 26769 1 17 . 1 1 14 14 ARG CB C 13 32.395 0.200 . 1 . . . . 3 ARG CB . 26769 1 18 . 1 1 14 14 ARG CG C 13 27.499 0.200 . 1 . . . . 3 ARG CG . 26769 1 19 . 1 1 14 14 ARG CD C 13 43.611 0.200 . 1 . . . . 3 ARG CD . 26769 1 20 . 1 1 14 14 ARG N N 15 123.458 0.200 . 1 . . . . 3 ARG N . 26769 1 21 . 1 1 15 15 THR H H 1 9.942 0.020 . 1 . . . . 4 THR H . 26769 1 22 . 1 1 15 15 THR HA H 1 5.236 0.020 . 1 . . . . 4 THR HA . 26769 1 23 . 1 1 15 15 THR HB H 1 4.104 0.020 . 1 . . . . 4 THR HB . 26769 1 24 . 1 1 15 15 THR HG21 H 1 1.072 0.020 . 1 . . . . 4 THR HG21 . 26769 1 25 . 1 1 15 15 THR HG22 H 1 1.072 0.020 . 1 . . . . 4 THR HG22 . 26769 1 26 . 1 1 15 15 THR HG23 H 1 1.072 0.020 . 1 . . . . 4 THR HG23 . 26769 1 27 . 1 1 15 15 THR C C 13 174.200 0.200 . 1 . . . . 4 THR C . 26769 1 28 . 1 1 15 15 THR CA C 13 62.283 0.200 . 1 . . . . 4 THR CA . 26769 1 29 . 1 1 15 15 THR CB C 13 70.466 0.200 . 1 . . . . 4 THR CB . 26769 1 30 . 1 1 15 15 THR CG2 C 13 21.891 0.200 . 1 . . . . 4 THR CG2 . 26769 1 31 . 1 1 15 15 THR N N 15 119.484 0.200 . 1 . . . . 4 THR N . 26769 1 32 . 1 1 16 16 VAL H H 1 9.418 0.020 . 1 . . . . 5 VAL H . 26769 1 33 . 1 1 16 16 VAL HA H 1 4.648 0.020 . 1 . . . . 5 VAL HA . 26769 1 34 . 1 1 16 16 VAL HB H 1 1.728 0.020 . 1 . . . . 5 VAL HB . 26769 1 35 . 1 1 16 16 VAL HG11 H 1 0.526 0.020 . 1 . . . . 5 VAL HG11 . 26769 1 36 . 1 1 16 16 VAL HG12 H 1 0.526 0.020 . 1 . . . . 5 VAL HG12 . 26769 1 37 . 1 1 16 16 VAL HG13 H 1 0.526 0.020 . 1 . . . . 5 VAL HG13 . 26769 1 38 . 1 1 16 16 VAL HG21 H 1 0.526 0.020 . 1 . . . . 5 VAL HG21 . 26769 1 39 . 1 1 16 16 VAL HG22 H 1 0.526 0.020 . 1 . . . . 5 VAL HG22 . 26769 1 40 . 1 1 16 16 VAL HG23 H 1 0.526 0.020 . 1 . . . . 5 VAL HG23 . 26769 1 41 . 1 1 16 16 VAL C C 13 173.440 0.200 . 1 . . . . 5 VAL C . 26769 1 42 . 1 1 16 16 VAL CA C 13 59.999 0.200 . 1 . . . . 5 VAL CA . 26769 1 43 . 1 1 16 16 VAL CB C 13 34.768 0.200 . 1 . . . . 5 VAL CB . 26769 1 44 . 1 1 16 16 VAL CG1 C 13 21.428 0.200 . 2 . . . . 5 VAL CG1 . 26769 1 45 . 1 1 16 16 VAL CG2 C 13 20.870 0.200 . 2 . . . . 5 VAL CG2 . 26769 1 46 . 1 1 16 16 VAL N N 15 128.734 0.200 . 1 . . . . 5 VAL N . 26769 1 47 . 1 1 17 17 LEU H H 1 8.210 0.020 . 1 . . . . 6 LEU H . 26769 1 48 . 1 1 17 17 LEU HA H 1 5.074 0.020 . 1 . . . . 6 LEU HA . 26769 1 49 . 1 1 17 17 LEU HB2 H 1 1.179 0.020 . 2 . . . . 6 LEU HB2 . 26769 1 50 . 1 1 17 17 LEU HB3 H 1 1.826 0.020 . 2 . . . . 6 LEU HB3 . 26769 1 51 . 1 1 17 17 LEU HG H 1 1.343 0.020 . 1 . . . . 6 LEU HG . 26769 1 52 . 1 1 17 17 LEU HD11 H 1 0.762 0.020 . 2 . . . . 6 LEU HD11 . 26769 1 53 . 1 1 17 17 LEU HD12 H 1 0.762 0.020 . 2 . . . . 6 LEU HD12 . 26769 1 54 . 1 1 17 17 LEU HD13 H 1 0.762 0.020 . 2 . . . . 6 LEU HD13 . 26769 1 55 . 1 1 17 17 LEU HD21 H 1 0.596 0.020 . 2 . . . . 6 LEU HD21 . 26769 1 56 . 1 1 17 17 LEU HD22 H 1 0.596 0.020 . 2 . . . . 6 LEU HD22 . 26769 1 57 . 1 1 17 17 LEU HD23 H 1 0.596 0.020 . 2 . . . . 6 LEU HD23 . 26769 1 58 . 1 1 17 17 LEU C C 13 172.902 0.200 . 1 . . . . 6 LEU C . 26769 1 59 . 1 1 17 17 LEU CA C 13 52.924 0.200 . 1 . . . . 6 LEU CA . 26769 1 60 . 1 1 17 17 LEU CB C 13 44.523 0.200 . 1 . . . . 6 LEU CB . 26769 1 61 . 1 1 17 17 LEU CG C 13 27.017 0.200 . 1 . . . . 6 LEU CG . 26769 1 62 . 1 1 17 17 LEU CD1 C 13 27.496 0.200 . 2 . . . . 6 LEU CD1 . 26769 1 63 . 1 1 17 17 LEU CD2 C 13 23.430 0.200 . 2 . . . . 6 LEU CD2 . 26769 1 64 . 1 1 17 17 LEU N N 15 128.569 0.200 . 1 . . . . 6 LEU N . 26769 1 65 . 1 1 18 18 ALA H H 1 9.187 0.020 . 1 . . . . 7 ALA H . 26769 1 66 . 1 1 18 18 ALA HA H 1 5.030 0.020 . 1 . . . . 7 ALA HA . 26769 1 67 . 1 1 18 18 ALA HB1 H 1 1.048 0.020 . 1 . . . . 7 ALA HB1 . 26769 1 68 . 1 1 18 18 ALA HB2 H 1 1.048 0.020 . 1 . . . . 7 ALA HB2 . 26769 1 69 . 1 1 18 18 ALA HB3 H 1 1.048 0.020 . 1 . . . . 7 ALA HB3 . 26769 1 70 . 1 1 18 18 ALA C C 13 174.222 0.200 . 1 . . . . 7 ALA C . 26769 1 71 . 1 1 18 18 ALA CA C 13 50.362 0.200 . 1 . . . . 7 ALA CA . 26769 1 72 . 1 1 18 18 ALA CB C 13 20.151 0.200 . 1 . . . . 7 ALA CB . 26769 1 73 . 1 1 18 18 ALA N N 15 131.486 0.200 . 1 . . . . 7 ALA N . 26769 1 74 . 1 1 19 19 VAL H H 1 8.776 0.020 . 1 . . . . 8 VAL H . 26769 1 75 . 1 1 19 19 VAL HA H 1 4.526 0.020 . 1 . . . . 8 VAL HA . 26769 1 76 . 1 1 19 19 VAL HB H 1 2.286 0.020 . 1 . . . . 8 VAL HB . 26769 1 77 . 1 1 19 19 VAL HG11 H 1 0.582 0.020 . 2 . . . . 8 VAL HG11 . 26769 1 78 . 1 1 19 19 VAL HG12 H 1 0.582 0.020 . 2 . . . . 8 VAL HG12 . 26769 1 79 . 1 1 19 19 VAL HG13 H 1 0.582 0.020 . 2 . . . . 8 VAL HG13 . 26769 1 80 . 1 1 19 19 VAL HG21 H 1 0.385 0.020 . 2 . . . . 8 VAL HG21 . 26769 1 81 . 1 1 19 19 VAL HG22 H 1 0.385 0.020 . 2 . . . . 8 VAL HG22 . 26769 1 82 . 1 1 19 19 VAL HG23 H 1 0.385 0.020 . 2 . . . . 8 VAL HG23 . 26769 1 83 . 1 1 19 19 VAL C C 13 174.099 0.200 . 1 . . . . 8 VAL C . 26769 1 84 . 1 1 19 19 VAL CA C 13 60.361 0.200 . 1 . . . . 8 VAL CA . 26769 1 85 . 1 1 19 19 VAL CB C 13 32.181 0.200 . 1 . . . . 8 VAL CB . 26769 1 86 . 1 1 19 19 VAL CG1 C 13 21.065 0.200 . 2 . . . . 8 VAL CG1 . 26769 1 87 . 1 1 19 19 VAL CG2 C 13 22.415 0.200 . 2 . . . . 8 VAL CG2 . 26769 1 88 . 1 1 19 19 VAL N N 15 123.519 0.200 . 1 . . . . 8 VAL N . 26769 1 89 . 1 1 20 20 ASP H H 1 7.650 0.020 . 1 . . . . 9 ASP H . 26769 1 90 . 1 1 20 20 ASP HA H 1 4.543 0.020 . 1 . . . . 9 ASP HA . 26769 1 91 . 1 1 20 20 ASP HB2 H 1 2.547 0.020 . 2 . . . . 9 ASP HB2 . 26769 1 92 . 1 1 20 20 ASP HB3 H 1 2.277 0.020 . 2 . . . . 9 ASP HB3 . 26769 1 93 . 1 1 20 20 ASP C C 13 174.799 0.200 . 1 . . . . 9 ASP C . 26769 1 94 . 1 1 20 20 ASP CA C 13 55.365 0.200 . 1 . . . . 9 ASP CA . 26769 1 95 . 1 1 20 20 ASP CB C 13 43.315 0.200 . 1 . . . . 9 ASP CB . 26769 1 96 . 1 1 20 20 ASP N N 15 122.872 0.200 . 1 . . . . 9 ASP N . 26769 1 97 . 1 1 21 21 ASP H H 1 8.994 0.020 . 1 . . . . 10 ASP H . 26769 1 98 . 1 1 21 21 ASP HA H 1 4.887 0.020 . 1 . . . . 10 ASP HA . 26769 1 99 . 1 1 21 21 ASP HB2 H 1 2.954 0.020 . 2 . . . . 10 ASP HB2 . 26769 1 100 . 1 1 21 21 ASP HB3 H 1 2.840 0.020 . 2 . . . . 10 ASP HB3 . 26769 1 101 . 1 1 21 21 ASP C C 13 176.296 0.200 . 1 . . . . 10 ASP C . 26769 1 102 . 1 1 21 21 ASP CA C 13 55.196 0.200 . 1 . . . . 10 ASP CA . 26769 1 103 . 1 1 21 21 ASP CB C 13 40.187 0.200 . 1 . . . . 10 ASP CB . 26769 1 104 . 1 1 21 21 ASP N N 15 124.378 0.200 . 1 . . . . 10 ASP N . 26769 1 105 . 1 1 22 22 SER H H 1 9.934 0.020 . 1 . . . . 11 SER H . 26769 1 106 . 1 1 22 22 SER HA H 1 5.021 0.020 . 1 . . . . 11 SER HA . 26769 1 107 . 1 1 22 22 SER HB2 H 1 3.928 0.020 . 1 . . . . 11 SER HB2 . 26769 1 108 . 1 1 22 22 SER HB3 H 1 3.928 0.020 . 1 . . . . 11 SER HB3 . 26769 1 109 . 1 1 22 22 SER C C 13 173.971 0.200 . 1 . . . . 11 SER C . 26769 1 110 . 1 1 22 22 SER CA C 13 54.302 0.200 . 1 . . . . 11 SER CA . 26769 1 111 . 1 1 22 22 SER CB C 13 62.694 0.200 . 1 . . . . 11 SER CB . 26769 1 112 . 1 1 22 22 SER N N 15 120.745 0.200 . 1 . . . . 11 SER N . 26769 1 113 . 1 1 23 23 PRO HA H 1 4.117 0.020 . 1 . . . . 12 PRO HA . 26769 1 114 . 1 1 23 23 PRO HB2 H 1 2.054 0.020 . 2 . . . . 12 PRO HB2 . 26769 1 115 . 1 1 23 23 PRO HB3 H 1 2.411 0.020 . 2 . . . . 12 PRO HB3 . 26769 1 116 . 1 1 23 23 PRO HG2 H 1 2.205 0.020 . 2 . . . . 12 PRO HG2 . 26769 1 117 . 1 1 23 23 PRO HG3 H 1 2.143 0.020 . 2 . . . . 12 PRO HG3 . 26769 1 118 . 1 1 23 23 PRO HD2 H 1 4.371 0.020 . 2 . . . . 12 PRO HD2 . 26769 1 119 . 1 1 23 23 PRO HD3 H 1 4.141 0.020 . 2 . . . . 12 PRO HD3 . 26769 1 120 . 1 1 23 23 PRO CA C 13 64.947 0.200 . 1 . . . . 12 PRO CA . 26769 1 121 . 1 1 23 23 PRO CB C 13 31.946 0.200 . 1 . . . . 12 PRO CB . 26769 1 122 . 1 1 23 23 PRO CG C 13 27.350 0.200 . 1 . . . . 12 PRO CG . 26769 1 123 . 1 1 23 23 PRO CD C 13 51.396 0.200 . 1 . . . . 12 PRO CD . 26769 1 124 . 1 1 24 24 SER HA H 1 4.213 0.020 . 1 . . . . 13 SER HA . 26769 1 125 . 1 1 24 24 SER HB2 H 1 3.832 0.020 . 1 . . . . 13 SER HB2 . 26769 1 126 . 1 1 24 24 SER HB3 H 1 3.832 0.020 . 1 . . . . 13 SER HB3 . 26769 1 127 . 1 1 24 24 SER C C 13 177.480 0.200 . 1 . . . . 13 SER C . 26769 1 128 . 1 1 24 24 SER CA C 13 61.027 0.200 . 1 . . . . 13 SER CA . 26769 1 129 . 1 1 24 24 SER CB C 13 62.025 0.200 . 1 . . . . 13 SER CB . 26769 1 130 . 1 1 25 25 VAL H H 1 7.463 0.020 . 1 . . . . 14 VAL H . 26769 1 131 . 1 1 25 25 VAL HA H 1 3.707 0.020 . 1 . . . . 14 VAL HA . 26769 1 132 . 1 1 25 25 VAL HB H 1 1.859 0.020 . 1 . . . . 14 VAL HB . 26769 1 133 . 1 1 25 25 VAL HG11 H 1 0.883 0.020 . 2 . . . . 14 VAL HG11 . 26769 1 134 . 1 1 25 25 VAL HG12 H 1 0.883 0.020 . 2 . . . . 14 VAL HG12 . 26769 1 135 . 1 1 25 25 VAL HG13 H 1 0.883 0.020 . 2 . . . . 14 VAL HG13 . 26769 1 136 . 1 1 25 25 VAL HG21 H 1 0.918 0.020 . 2 . . . . 14 VAL HG21 . 26769 1 137 . 1 1 25 25 VAL HG22 H 1 0.918 0.020 . 2 . . . . 14 VAL HG22 . 26769 1 138 . 1 1 25 25 VAL HG23 H 1 0.918 0.020 . 2 . . . . 14 VAL HG23 . 26769 1 139 . 1 1 25 25 VAL C C 13 177.922 0.200 . 1 . . . . 14 VAL C . 26769 1 140 . 1 1 25 25 VAL CA C 13 65.908 0.200 . 1 . . . . 14 VAL CA . 26769 1 141 . 1 1 25 25 VAL CB C 13 31.831 0.200 . 1 . . . . 14 VAL CB . 26769 1 142 . 1 1 25 25 VAL CG1 C 13 21.820 0.200 . 2 . . . . 14 VAL CG1 . 26769 1 143 . 1 1 25 25 VAL CG2 C 13 22.346 0.200 . 2 . . . . 14 VAL CG2 . 26769 1 144 . 1 1 25 25 VAL N N 15 124.391 0.200 . 1 . . . . 14 VAL N . 26769 1 145 . 1 1 26 26 ARG H H 1 8.139 0.020 . 1 . . . . 15 ARG H . 26769 1 146 . 1 1 26 26 ARG HA H 1 3.588 0.020 . 1 . . . . 15 ARG HA . 26769 1 147 . 1 1 26 26 ARG HB2 H 1 1.869 0.020 . 2 . . . . 15 ARG HB2 . 26769 1 148 . 1 1 26 26 ARG HB3 H 1 1.782 0.020 . 2 . . . . 15 ARG HB3 . 26769 1 149 . 1 1 26 26 ARG HG2 H 1 1.307 0.020 . 2 . . . . 15 ARG HG2 . 26769 1 150 . 1 1 26 26 ARG HG3 H 1 1.721 0.020 . 2 . . . . 15 ARG HG3 . 26769 1 151 . 1 1 26 26 ARG HD2 H 1 3.140 0.020 . 1 . . . . 15 ARG HD2 . 26769 1 152 . 1 1 26 26 ARG HD3 H 1 3.140 0.020 . 1 . . . . 15 ARG HD3 . 26769 1 153 . 1 1 26 26 ARG C C 13 177.913 0.200 . 1 . . . . 15 ARG C . 26769 1 154 . 1 1 26 26 ARG CA C 13 61.457 0.200 . 1 . . . . 15 ARG CA . 26769 1 155 . 1 1 26 26 ARG CB C 13 30.853 0.200 . 1 . . . . 15 ARG CB . 26769 1 156 . 1 1 26 26 ARG CG C 13 29.253 0.200 . 1 . . . . 15 ARG CG . 26769 1 157 . 1 1 26 26 ARG CD C 13 43.564 0.200 . 1 . . . . 15 ARG CD . 26769 1 158 . 1 1 26 26 ARG N N 15 118.559 0.200 . 1 . . . . 15 ARG N . 26769 1 159 . 1 1 27 27 SER H H 1 8.066 0.020 . 1 . . . . 16 SER H . 26769 1 160 . 1 1 27 27 SER HA H 1 4.247 0.020 . 1 . . . . 16 SER HA . 26769 1 161 . 1 1 27 27 SER HB2 H 1 3.968 0.020 . 2 . . . . 16 SER HB2 . 26769 1 162 . 1 1 27 27 SER HB3 H 1 3.981 0.020 . 2 . . . . 16 SER HB3 . 26769 1 163 . 1 1 27 27 SER C C 13 176.524 0.200 . 1 . . . . 16 SER C . 26769 1 164 . 1 1 27 27 SER CA C 13 61.461 0.200 . 1 . . . . 16 SER CA . 26769 1 165 . 1 1 27 27 SER CB C 13 62.825 0.200 . 1 . . . . 16 SER CB . 26769 1 166 . 1 1 27 27 SER N N 15 110.638 0.200 . 1 . . . . 16 SER N . 26769 1 167 . 1 1 28 28 MET H H 1 7.498 0.020 . 1 . . . . 17 MET H . 26769 1 168 . 1 1 28 28 MET HA H 1 4.235 0.020 . 1 . . . . 17 MET HA . 26769 1 169 . 1 1 28 28 MET HB2 H 1 2.465 0.020 . 2 . . . . 17 MET HB2 . 26769 1 170 . 1 1 28 28 MET HB3 H 1 2.774 0.020 . 2 . . . . 17 MET HB3 . 26769 1 171 . 1 1 28 28 MET HG2 H 1 2.164 0.020 . 2 . . . . 17 MET HG2 . 26769 1 172 . 1 1 28 28 MET HG3 H 1 2.370 0.020 . 2 . . . . 17 MET HG3 . 26769 1 173 . 1 1 28 28 MET C C 13 179.665 0.200 . 1 . . . . 17 MET C . 26769 1 174 . 1 1 28 28 MET CA C 13 59.492 0.200 . 1 . . . . 17 MET CA . 26769 1 175 . 1 1 28 28 MET CB C 13 32.238 0.200 . 1 . . . . 17 MET CB . 26769 1 176 . 1 1 28 28 MET CG C 13 32.213 0.200 . 1 . . . . 17 MET CG . 26769 1 177 . 1 1 28 28 MET N N 15 122.473 0.200 . 1 . . . . 17 MET N . 26769 1 178 . 1 1 29 29 VAL H H 1 8.726 0.020 . 1 . . . . 18 VAL H . 26769 1 179 . 1 1 29 29 VAL HA H 1 3.443 0.020 . 1 . . . . 18 VAL HA . 26769 1 180 . 1 1 29 29 VAL HB H 1 2.173 0.020 . 1 . . . . 18 VAL HB . 26769 1 181 . 1 1 29 29 VAL HG11 H 1 0.779 0.020 . 2 . . . . 18 VAL HG11 . 26769 1 182 . 1 1 29 29 VAL HG12 H 1 0.779 0.020 . 2 . . . . 18 VAL HG12 . 26769 1 183 . 1 1 29 29 VAL HG13 H 1 0.779 0.020 . 2 . . . . 18 VAL HG13 . 26769 1 184 . 1 1 29 29 VAL HG21 H 1 1.134 0.020 . 2 . . . . 18 VAL HG21 . 26769 1 185 . 1 1 29 29 VAL HG22 H 1 1.134 0.020 . 2 . . . . 18 VAL HG22 . 26769 1 186 . 1 1 29 29 VAL HG23 H 1 1.134 0.020 . 2 . . . . 18 VAL HG23 . 26769 1 187 . 1 1 29 29 VAL C C 13 177.025 0.200 . 1 . . . . 18 VAL C . 26769 1 188 . 1 1 29 29 VAL CA C 13 66.467 0.200 . 1 . . . . 18 VAL CA . 26769 1 189 . 1 1 29 29 VAL CB C 13 31.706 0.200 . 1 . . . . 18 VAL CB . 26769 1 190 . 1 1 29 29 VAL CG1 C 13 22.175 0.200 . 2 . . . . 18 VAL CG1 . 26769 1 191 . 1 1 29 29 VAL CG2 C 13 23.265 0.200 . 2 . . . . 18 VAL CG2 . 26769 1 192 . 1 1 29 29 VAL N N 15 123.296 0.200 . 1 . . . . 18 VAL N . 26769 1 193 . 1 1 30 30 ALA H H 1 8.806 0.020 . 1 . . . . 19 ALA H . 26769 1 194 . 1 1 30 30 ALA HA H 1 3.953 0.020 . 1 . . . . 19 ALA HA . 26769 1 195 . 1 1 30 30 ALA HB1 H 1 1.404 0.020 . 1 . . . . 19 ALA HB1 . 26769 1 196 . 1 1 30 30 ALA HB2 H 1 1.404 0.020 . 1 . . . . 19 ALA HB2 . 26769 1 197 . 1 1 30 30 ALA HB3 H 1 1.404 0.020 . 1 . . . . 19 ALA HB3 . 26769 1 198 . 1 1 30 30 ALA C C 13 179.285 0.200 . 1 . . . . 19 ALA C . 26769 1 199 . 1 1 30 30 ALA CA C 13 55.783 0.200 . 1 . . . . 19 ALA CA . 26769 1 200 . 1 1 30 30 ALA CB C 13 18.292 0.200 . 1 . . . . 19 ALA CB . 26769 1 201 . 1 1 30 30 ALA N N 15 120.828 0.200 . 1 . . . . 19 ALA N . 26769 1 202 . 1 1 31 31 MET H H 1 8.616 0.020 . 1 . . . . 20 MET H . 26769 1 203 . 1 1 31 31 MET HA H 1 4.155 0.020 . 1 . . . . 20 MET HA . 26769 1 204 . 1 1 31 31 MET HB2 H 1 2.261 0.020 . 2 . . . . 20 MET HB2 . 26769 1 205 . 1 1 31 31 MET HB3 H 1 2.195 0.020 . 2 . . . . 20 MET HB3 . 26769 1 206 . 1 1 31 31 MET HG2 H 1 2.738 0.020 . 2 . . . . 20 MET HG2 . 26769 1 207 . 1 1 31 31 MET HG3 H 1 2.645 0.020 . 2 . . . . 20 MET HG3 . 26769 1 208 . 1 1 31 31 MET C C 13 178.819 0.200 . 1 . . . . 20 MET C . 26769 1 209 . 1 1 31 31 MET CA C 13 59.091 0.200 . 1 . . . . 20 MET CA . 26769 1 210 . 1 1 31 31 MET CB C 13 32.251 0.200 . 1 . . . . 20 MET CB . 26769 1 211 . 1 1 31 31 MET CG C 13 32.251 0.200 . 1 . . . . 20 MET CG . 26769 1 212 . 1 1 31 31 MET N N 15 116.171 0.200 . 1 . . . . 20 MET N . 26769 1 213 . 1 1 32 32 THR H H 1 7.971 0.020 . 1 . . . . 21 THR H . 26769 1 214 . 1 1 32 32 THR HA H 1 3.922 0.020 . 1 . . . . 21 THR HA . 26769 1 215 . 1 1 32 32 THR HB H 1 4.266 0.020 . 1 . . . . 21 THR HB . 26769 1 216 . 1 1 32 32 THR HG21 H 1 1.262 0.020 . 1 . . . . 21 THR HG21 . 26769 1 217 . 1 1 32 32 THR HG22 H 1 1.262 0.020 . 1 . . . . 21 THR HG22 . 26769 1 218 . 1 1 32 32 THR HG23 H 1 1.262 0.020 . 1 . . . . 21 THR HG23 . 26769 1 219 . 1 1 32 32 THR C C 13 176.783 0.200 . 1 . . . . 21 THR C . 26769 1 220 . 1 1 32 32 THR CA C 13 67.056 0.200 . 1 . . . . 21 THR CA . 26769 1 221 . 1 1 32 32 THR CB C 13 68.675 0.200 . 1 . . . . 21 THR CB . 26769 1 222 . 1 1 32 32 THR CG2 C 13 21.773 0.200 . 1 . . . . 21 THR CG2 . 26769 1 223 . 1 1 32 32 THR N N 15 116.201 0.200 . 1 . . . . 21 THR N . 26769 1 224 . 1 1 33 33 LEU H H 1 8.209 0.020 . 1 . . . . 22 LEU H . 26769 1 225 . 1 1 33 33 LEU HA H 1 4.141 0.020 . 1 . . . . 22 LEU HA . 26769 1 226 . 1 1 33 33 LEU HB2 H 1 1.975 0.020 . 2 . . . . 22 LEU HB2 . 26769 1 227 . 1 1 33 33 LEU HB3 H 1 1.148 0.020 . 2 . . . . 22 LEU HB3 . 26769 1 228 . 1 1 33 33 LEU HG H 1 1.835 0.020 . 1 . . . . 22 LEU HG . 26769 1 229 . 1 1 33 33 LEU HD11 H 1 0.576 0.020 . 2 . . . . 22 LEU HD11 . 26769 1 230 . 1 1 33 33 LEU HD12 H 1 0.576 0.020 . 2 . . . . 22 LEU HD12 . 26769 1 231 . 1 1 33 33 LEU HD13 H 1 0.576 0.020 . 2 . . . . 22 LEU HD13 . 26769 1 232 . 1 1 33 33 LEU HD21 H 1 0.463 0.020 . 2 . . . . 22 LEU HD21 . 26769 1 233 . 1 1 33 33 LEU HD22 H 1 0.463 0.020 . 2 . . . . 22 LEU HD22 . 26769 1 234 . 1 1 33 33 LEU HD23 H 1 0.463 0.020 . 2 . . . . 22 LEU HD23 . 26769 1 235 . 1 1 33 33 LEU C C 13 179.238 0.200 . 1 . . . . 22 LEU C . 26769 1 236 . 1 1 33 33 LEU CA C 13 57.708 0.200 . 1 . . . . 22 LEU CA . 26769 1 237 . 1 1 33 33 LEU CB C 13 41.041 0.200 . 1 . . . . 22 LEU CB . 26769 1 238 . 1 1 33 33 LEU CG C 13 26.969 0.200 . 1 . . . . 22 LEU CG . 26769 1 239 . 1 1 33 33 LEU CD1 C 13 26.402 0.200 . 2 . . . . 22 LEU CD1 . 26769 1 240 . 1 1 33 33 LEU CD2 C 13 22.697 0.200 . 2 . . . . 22 LEU CD2 . 26769 1 241 . 1 1 33 33 LEU N N 15 119.194 0.200 . 1 . . . . 22 LEU N . 26769 1 242 . 1 1 34 34 ARG H H 1 8.774 0.020 . 1 . . . . 23 ARG H . 26769 1 243 . 1 1 34 34 ARG HA H 1 4.798 0.020 . 1 . . . . 23 ARG HA . 26769 1 244 . 1 1 34 34 ARG HB2 H 1 1.964 0.020 . 2 . . . . 23 ARG HB2 . 26769 1 245 . 1 1 34 34 ARG HB3 H 1 1.969 0.020 . 2 . . . . 23 ARG HB3 . 26769 1 246 . 1 1 34 34 ARG HG3 H 1 1.777 0.020 . 1 . . . . 23 ARG HG3 . 26769 1 247 . 1 1 34 34 ARG HD2 H 1 3.252 0.020 . 2 . . . . 23 ARG HD2 . 26769 1 248 . 1 1 34 34 ARG HD3 H 1 3.187 0.020 . 2 . . . . 23 ARG HD3 . 26769 1 249 . 1 1 34 34 ARG C C 13 181.834 0.200 . 1 . . . . 23 ARG C . 26769 1 250 . 1 1 34 34 ARG CA C 13 59.887 0.200 . 1 . . . . 23 ARG CA . 26769 1 251 . 1 1 34 34 ARG CB C 13 29.853 0.200 . 1 . . . . 23 ARG CB . 26769 1 252 . 1 1 34 34 ARG CD C 13 43.525 0.200 . 1 . . . . 23 ARG CD . 26769 1 253 . 1 1 34 34 ARG N N 15 121.303 0.200 . 1 . . . . 23 ARG N . 26769 1 254 . 1 1 35 35 GLU H H 1 8.040 0.020 . 1 . . . . 24 GLU H . 26769 1 255 . 1 1 35 35 GLU HA H 1 4.117 0.020 . 1 . . . . 24 GLU HA . 26769 1 256 . 1 1 35 35 GLU HB2 H 1 2.207 0.020 . 2 . . . . 24 GLU HB2 . 26769 1 257 . 1 1 35 35 GLU HB3 H 1 2.211 0.020 . 2 . . . . 24 GLU HB3 . 26769 1 258 . 1 1 35 35 GLU C C 13 177.327 0.200 . 1 . . . . 24 GLU C . 26769 1 259 . 1 1 35 35 GLU CA C 13 59.143 0.200 . 1 . . . . 24 GLU CA . 26769 1 260 . 1 1 35 35 GLU CB C 13 29.270 0.200 . 1 . . . . 24 GLU CB . 26769 1 261 . 1 1 35 35 GLU N N 15 120.689 0.200 . 1 . . . . 24 GLU N . 26769 1 262 . 1 1 36 36 ALA H H 1 7.300 0.020 . 1 . . . . 25 ALA H . 26769 1 263 . 1 1 36 36 ALA HA H 1 4.502 0.020 . 1 . . . . 25 ALA HA . 26769 1 264 . 1 1 36 36 ALA HB1 H 1 1.677 0.020 . 1 . . . . 25 ALA HB1 . 26769 1 265 . 1 1 36 36 ALA HB2 H 1 1.677 0.020 . 1 . . . . 25 ALA HB2 . 26769 1 266 . 1 1 36 36 ALA HB3 H 1 1.677 0.020 . 1 . . . . 25 ALA HB3 . 26769 1 267 . 1 1 36 36 ALA C C 13 176.616 0.200 . 1 . . . . 25 ALA C . 26769 1 268 . 1 1 36 36 ALA CA C 13 51.829 0.200 . 1 . . . . 25 ALA CA . 26769 1 269 . 1 1 36 36 ALA CB C 13 19.269 0.200 . 1 . . . . 25 ALA CB . 26769 1 270 . 1 1 36 36 ALA N N 15 119.161 0.200 . 1 . . . . 25 ALA N . 26769 1 271 . 1 1 37 37 GLY H H 1 7.703 0.020 . 1 . . . . 26 GLY H . 26769 1 272 . 1 1 37 37 GLY HA2 H 1 3.634 0.020 . 2 . . . . 26 GLY HA2 . 26769 1 273 . 1 1 37 37 GLY HA3 H 1 4.108 0.020 . 2 . . . . 26 GLY HA3 . 26769 1 274 . 1 1 37 37 GLY C C 13 174.432 0.200 . 1 . . . . 26 GLY C . 26769 1 275 . 1 1 37 37 GLY CA C 13 45.444 0.200 . 1 . . . . 26 GLY CA . 26769 1 276 . 1 1 37 37 GLY N N 15 105.477 0.200 . 1 . . . . 26 GLY N . 26769 1 277 . 1 1 38 38 TYR H H 1 8.055 0.020 . 1 . . . . 27 TYR H . 26769 1 278 . 1 1 38 38 TYR HA H 1 4.618 0.020 . 1 . . . . 27 TYR HA . 26769 1 279 . 1 1 38 38 TYR HB2 H 1 2.916 0.020 . 2 . . . . 27 TYR HB2 . 26769 1 280 . 1 1 38 38 TYR HB3 H 1 2.362 0.020 . 2 . . . . 27 TYR HB3 . 26769 1 281 . 1 1 38 38 TYR HD1 H 1 7.068 0.020 . 3 . . . . 27 TYR HD1 . 26769 1 282 . 1 1 38 38 TYR HD2 H 1 7.068 0.020 . 3 . . . . 27 TYR HD2 . 26769 1 283 . 1 1 38 38 TYR HE1 H 1 6.495 0.020 . 3 . . . . 27 TYR HE1 . 26769 1 284 . 1 1 38 38 TYR HE2 H 1 6.495 0.020 . 3 . . . . 27 TYR HE2 . 26769 1 285 . 1 1 38 38 TYR C C 13 175.964 0.200 . 1 . . . . 27 TYR C . 26769 1 286 . 1 1 38 38 TYR CA C 13 58.282 0.200 . 1 . . . . 27 TYR CA . 26769 1 287 . 1 1 38 38 TYR CB C 13 38.722 0.200 . 1 . . . . 27 TYR CB . 26769 1 288 . 1 1 38 38 TYR CD1 C 13 133.066 0.200 . 3 . . . . 27 TYR CD1 . 26769 1 289 . 1 1 38 38 TYR CD2 C 13 133.066 0.200 . 3 . . . . 27 TYR CD2 . 26769 1 290 . 1 1 38 38 TYR CE1 C 13 117.336 0.200 . 3 . . . . 27 TYR CE1 . 26769 1 291 . 1 1 38 38 TYR CE2 C 13 117.336 0.200 . 3 . . . . 27 TYR CE2 . 26769 1 292 . 1 1 38 38 TYR N N 15 119.790 0.200 . 1 . . . . 27 TYR N . 26769 1 293 . 1 1 39 39 ARG H H 1 8.749 0.020 . 1 . . . . 28 ARG H . 26769 1 294 . 1 1 39 39 ARG HA H 1 4.569 0.020 . 1 . . . . 28 ARG HA . 26769 1 295 . 1 1 39 39 ARG HB2 H 1 1.882 0.020 . 2 . . . . 28 ARG HB2 . 26769 1 296 . 1 1 39 39 ARG HB3 H 1 1.764 0.020 . 2 . . . . 28 ARG HB3 . 26769 1 297 . 1 1 39 39 ARG HG2 H 1 1.714 0.020 . 2 . . . . 28 ARG HG2 . 26769 1 298 . 1 1 39 39 ARG HG3 H 1 1.394 0.020 . 2 . . . . 28 ARG HG3 . 26769 1 299 . 1 1 39 39 ARG HD2 H 1 3.126 0.020 . 1 . . . . 28 ARG HD2 . 26769 1 300 . 1 1 39 39 ARG HD3 H 1 3.126 0.020 . 1 . . . . 28 ARG HD3 . 26769 1 301 . 1 1 39 39 ARG C C 13 175.463 0.200 . 1 . . . . 28 ARG C . 26769 1 302 . 1 1 39 39 ARG CA C 13 55.733 0.200 . 1 . . . . 28 ARG CA . 26769 1 303 . 1 1 39 39 ARG CB C 13 30.837 0.200 . 1 . . . . 28 ARG CB . 26769 1 304 . 1 1 39 39 ARG CG C 13 28.442 0.200 . 1 . . . . 28 ARG CG . 26769 1 305 . 1 1 39 39 ARG CD C 13 43.269 0.200 . 1 . . . . 28 ARG CD . 26769 1 306 . 1 1 39 39 ARG N N 15 122.294 0.200 . 1 . . . . 28 ARG N . 26769 1 307 . 1 1 40 40 VAL H H 1 8.730 0.020 . 1 . . . . 29 VAL H . 26769 1 308 . 1 1 40 40 VAL HA H 1 5.353 0.020 . 1 . . . . 29 VAL HA . 26769 1 309 . 1 1 40 40 VAL HB H 1 1.832 0.020 . 1 . . . . 29 VAL HB . 26769 1 310 . 1 1 40 40 VAL HG11 H 1 0.965 0.020 . 2 . . . . 29 VAL HG11 . 26769 1 311 . 1 1 40 40 VAL HG12 H 1 0.965 0.020 . 2 . . . . 29 VAL HG12 . 26769 1 312 . 1 1 40 40 VAL HG13 H 1 0.965 0.020 . 2 . . . . 29 VAL HG13 . 26769 1 313 . 1 1 40 40 VAL HG21 H 1 0.818 0.020 . 2 . . . . 29 VAL HG21 . 26769 1 314 . 1 1 40 40 VAL HG22 H 1 0.818 0.020 . 2 . . . . 29 VAL HG22 . 26769 1 315 . 1 1 40 40 VAL HG23 H 1 0.818 0.020 . 2 . . . . 29 VAL HG23 . 26769 1 316 . 1 1 40 40 VAL C C 13 175.884 0.200 . 1 . . . . 29 VAL C . 26769 1 317 . 1 1 40 40 VAL CA C 13 60.627 0.200 . 1 . . . . 29 VAL CA . 26769 1 318 . 1 1 40 40 VAL CB C 13 34.959 0.200 . 1 . . . . 29 VAL CB . 26769 1 319 . 1 1 40 40 VAL CG1 C 13 23.738 0.200 . 2 . . . . 29 VAL CG1 . 26769 1 320 . 1 1 40 40 VAL CG2 C 13 21.199 0.200 . 2 . . . . 29 VAL CG2 . 26769 1 321 . 1 1 40 40 VAL N N 15 124.289 0.200 . 1 . . . . 29 VAL N . 26769 1 322 . 1 1 41 41 ILE H H 1 8.707 0.020 . 1 . . . . 30 ILE H . 26769 1 323 . 1 1 41 41 ILE HA H 1 4.458 0.020 . 1 . . . . 30 ILE HA . 26769 1 324 . 1 1 41 41 ILE HB H 1 1.564 0.020 . 1 . . . . 30 ILE HB . 26769 1 325 . 1 1 41 41 ILE HG12 H 1 1.327 0.020 . 2 . . . . 30 ILE HG12 . 26769 1 326 . 1 1 41 41 ILE HG13 H 1 0.911 0.020 . 2 . . . . 30 ILE HG13 . 26769 1 327 . 1 1 41 41 ILE HG21 H 1 0.852 0.020 . 1 . . . . 30 ILE HG21 . 26769 1 328 . 1 1 41 41 ILE HG22 H 1 0.852 0.020 . 1 . . . . 30 ILE HG22 . 26769 1 329 . 1 1 41 41 ILE HG23 H 1 0.852 0.020 . 1 . . . . 30 ILE HG23 . 26769 1 330 . 1 1 41 41 ILE HD11 H 1 0.683 0.020 . 1 . . . . 30 ILE HD11 . 26769 1 331 . 1 1 41 41 ILE HD12 H 1 0.683 0.020 . 1 . . . . 30 ILE HD12 . 26769 1 332 . 1 1 41 41 ILE HD13 H 1 0.683 0.020 . 1 . . . . 30 ILE HD13 . 26769 1 333 . 1 1 41 41 ILE C C 13 174.188 0.200 . 1 . . . . 30 ILE C . 26769 1 334 . 1 1 41 41 ILE CA C 13 59.735 0.200 . 1 . . . . 30 ILE CA . 26769 1 335 . 1 1 41 41 ILE CB C 13 40.738 0.200 . 1 . . . . 30 ILE CB . 26769 1 336 . 1 1 41 41 ILE CG1 C 13 26.355 0.200 . 1 . . . . 30 ILE CG1 . 26769 1 337 . 1 1 41 41 ILE CG2 C 13 17.928 0.200 . 1 . . . . 30 ILE CG2 . 26769 1 338 . 1 1 41 41 ILE CD1 C 13 13.841 0.200 . 1 . . . . 30 ILE CD1 . 26769 1 339 . 1 1 41 41 ILE N N 15 126.567 0.200 . 1 . . . . 30 ILE N . 26769 1 340 . 1 1 42 42 GLU H H 1 8.735 0.020 . 1 . . . . 31 GLU H . 26769 1 341 . 1 1 42 42 GLU HA H 1 5.264 0.020 . 1 . . . . 31 GLU HA . 26769 1 342 . 1 1 42 42 GLU HB2 H 1 1.858 0.020 . 2 . . . . 31 GLU HB2 . 26769 1 343 . 1 1 42 42 GLU HB3 H 1 1.862 0.020 . 2 . . . . 31 GLU HB3 . 26769 1 344 . 1 1 42 42 GLU HG2 H 1 1.946 0.020 . 2 . . . . 31 GLU HG2 . 26769 1 345 . 1 1 42 42 GLU HG3 H 1 2.038 0.020 . 2 . . . . 31 GLU HG3 . 26769 1 346 . 1 1 42 42 GLU C C 13 175.095 0.200 . 1 . . . . 31 GLU C . 26769 1 347 . 1 1 42 42 GLU CA C 13 55.647 0.200 . 1 . . . . 31 GLU CA . 26769 1 348 . 1 1 42 42 GLU CB C 13 34.556 0.200 . 1 . . . . 31 GLU CB . 26769 1 349 . 1 1 42 42 GLU CG C 13 38.057 0.200 . 1 . . . . 31 GLU CG . 26769 1 350 . 1 1 42 42 GLU N N 15 123.913 0.200 . 1 . . . . 31 GLU N . 26769 1 351 . 1 1 43 43 ALA H H 1 8.613 0.020 . 1 . . . . 32 ALA H . 26769 1 352 . 1 1 43 43 ALA HA H 1 4.750 0.020 . 1 . . . . 32 ALA HA . 26769 1 353 . 1 1 43 43 ALA HB1 H 1 1.246 0.020 . 1 . . . . 32 ALA HB1 . 26769 1 354 . 1 1 43 43 ALA HB2 H 1 1.246 0.020 . 1 . . . . 32 ALA HB2 . 26769 1 355 . 1 1 43 43 ALA HB3 H 1 1.246 0.020 . 1 . . . . 32 ALA HB3 . 26769 1 356 . 1 1 43 43 ALA C C 13 176.170 0.200 . 1 . . . . 32 ALA C . 26769 1 357 . 1 1 43 43 ALA CA C 13 50.663 0.200 . 1 . . . . 32 ALA CA . 26769 1 358 . 1 1 43 43 ALA CB C 13 23.211 0.200 . 1 . . . . 32 ALA CB . 26769 1 359 . 1 1 43 43 ALA N N 15 120.481 0.200 . 1 . . . . 32 ALA N . 26769 1 360 . 1 1 44 44 THR H H 1 8.669 0.020 . 1 . . . . 33 THR H . 26769 1 361 . 1 1 44 44 THR HA H 1 4.436 0.020 . 1 . . . . 33 THR HA . 26769 1 362 . 1 1 44 44 THR HB H 1 4.360 0.020 . 1 . . . . 33 THR HB . 26769 1 363 . 1 1 44 44 THR HG21 H 1 1.158 0.020 . 1 . . . . 33 THR HG21 . 26769 1 364 . 1 1 44 44 THR HG22 H 1 1.158 0.020 . 1 . . . . 33 THR HG22 . 26769 1 365 . 1 1 44 44 THR HG23 H 1 1.158 0.020 . 1 . . . . 33 THR HG23 . 26769 1 366 . 1 1 44 44 THR C C 13 173.295 0.200 . 1 . . . . 33 THR C . 26769 1 367 . 1 1 44 44 THR CA C 13 62.698 0.200 . 1 . . . . 33 THR CA . 26769 1 368 . 1 1 44 44 THR CB C 13 70.156 0.200 . 1 . . . . 33 THR CB . 26769 1 369 . 1 1 44 44 THR CG2 C 13 21.193 0.200 . 1 . . . . 33 THR CG2 . 26769 1 370 . 1 1 44 44 THR N N 15 109.167 0.200 . 1 . . . . 33 THR N . 26769 1 371 . 1 1 45 45 ASP H H 1 7.302 0.020 . 1 . . . . 34 ASP H . 26769 1 372 . 1 1 45 45 ASP HA H 1 5.210 0.020 . 1 . . . . 34 ASP HA . 26769 1 373 . 1 1 45 45 ASP HB2 H 1 3.728 0.020 . 2 . . . . 34 ASP HB2 . 26769 1 374 . 1 1 45 45 ASP HB3 H 1 2.968 0.020 . 2 . . . . 34 ASP HB3 . 26769 1 375 . 1 1 45 45 ASP C C 13 176.707 0.200 . 1 . . . . 34 ASP C . 26769 1 376 . 1 1 45 45 ASP CA C 13 53.838 0.200 . 1 . . . . 34 ASP CA . 26769 1 377 . 1 1 45 45 ASP CB C 13 41.487 0.200 . 1 . . . . 34 ASP CB . 26769 1 378 . 1 1 45 45 ASP N N 15 113.240 0.200 . 1 . . . . 34 ASP N . 26769 1 379 . 1 1 46 46 GLY H H 1 7.384 0.020 . 1 . . . . 35 GLY H . 26769 1 380 . 1 1 46 46 GLY HA2 H 1 3.777 0.020 . 2 . . . . 35 GLY HA2 . 26769 1 381 . 1 1 46 46 GLY HA3 H 1 3.292 0.020 . 2 . . . . 35 GLY HA3 . 26769 1 382 . 1 1 46 46 GLY C C 13 174.376 0.200 . 1 . . . . 35 GLY C . 26769 1 383 . 1 1 46 46 GLY CA C 13 47.557 0.200 . 1 . . . . 35 GLY CA . 26769 1 384 . 1 1 46 46 GLY N N 15 103.015 0.200 . 1 . . . . 35 GLY N . 26769 1 385 . 1 1 47 47 ARG H H 1 8.403 0.020 . 1 . . . . 36 ARG H . 26769 1 386 . 1 1 47 47 ARG HA H 1 4.060 0.020 . 1 . . . . 36 ARG HA . 26769 1 387 . 1 1 47 47 ARG HB2 H 1 2.080 0.020 . 2 . . . . 36 ARG HB2 . 26769 1 388 . 1 1 47 47 ARG HB3 H 1 1.779 0.020 . 2 . . . . 36 ARG HB3 . 26769 1 389 . 1 1 47 47 ARG HD2 H 1 3.197 0.020 . 2 . . . . 36 ARG HD2 . 26769 1 390 . 1 1 47 47 ARG HD3 H 1 3.186 0.020 . 2 . . . . 36 ARG HD3 . 26769 1 391 . 1 1 47 47 ARG C C 13 178.630 0.200 . 1 . . . . 36 ARG C . 26769 1 392 . 1 1 47 47 ARG CA C 13 58.738 0.200 . 1 . . . . 36 ARG CA . 26769 1 393 . 1 1 47 47 ARG CB C 13 29.453 0.200 . 1 . . . . 36 ARG CB . 26769 1 394 . 1 1 47 47 ARG CD C 13 43.129 0.200 . 1 . . . . 36 ARG CD . 26769 1 395 . 1 1 47 47 ARG N N 15 124.184 0.200 . 1 . . . . 36 ARG N . 26769 1 396 . 1 1 48 48 GLU H H 1 8.792 0.020 . 1 . . . . 37 GLU H . 26769 1 397 . 1 1 48 48 GLU HA H 1 4.066 0.020 . 1 . . . . 37 GLU HA . 26769 1 398 . 1 1 48 48 GLU HB2 H 1 1.985 0.020 . 2 . . . . 37 GLU HB2 . 26769 1 399 . 1 1 48 48 GLU HB3 H 1 1.996 0.020 . 2 . . . . 37 GLU HB3 . 26769 1 400 . 1 1 48 48 GLU HG2 H 1 2.468 0.020 . 2 . . . . 37 GLU HG2 . 26769 1 401 . 1 1 48 48 GLU HG3 H 1 2.190 0.020 . 2 . . . . 37 GLU HG3 . 26769 1 402 . 1 1 48 48 GLU C C 13 179.252 0.200 . 1 . . . . 37 GLU C . 26769 1 403 . 1 1 48 48 GLU CA C 13 58.748 0.200 . 1 . . . . 37 GLU CA . 26769 1 404 . 1 1 48 48 GLU CB C 13 30.591 0.200 . 1 . . . . 37 GLU CB . 26769 1 405 . 1 1 48 48 GLU CG C 13 36.590 0.200 . 1 . . . . 37 GLU CG . 26769 1 406 . 1 1 48 48 GLU N N 15 122.467 0.200 . 1 . . . . 37 GLU N . 26769 1 407 . 1 1 49 49 GLY H H 1 8.516 0.020 . 1 . . . . 38 GLY H . 26769 1 408 . 1 1 49 49 GLY HA2 H 1 2.749 0.020 . 2 . . . . 38 GLY HA2 . 26769 1 409 . 1 1 49 49 GLY HA3 H 1 3.106 0.020 . 2 . . . . 38 GLY HA3 . 26769 1 410 . 1 1 49 49 GLY C C 13 173.227 0.200 . 1 . . . . 38 GLY C . 26769 1 411 . 1 1 49 49 GLY CA C 13 47.648 0.200 . 1 . . . . 38 GLY CA . 26769 1 412 . 1 1 49 49 GLY N N 15 105.259 0.200 . 1 . . . . 38 GLY N . 26769 1 413 . 1 1 50 50 LEU H H 1 7.649 0.020 . 1 . . . . 39 LEU H . 26769 1 414 . 1 1 50 50 LEU HA H 1 3.975 0.020 . 1 . . . . 39 LEU HA . 26769 1 415 . 1 1 50 50 LEU HB2 H 1 2.041 0.020 . 2 . . . . 39 LEU HB2 . 26769 1 416 . 1 1 50 50 LEU HB3 H 1 1.661 0.020 . 2 . . . . 39 LEU HB3 . 26769 1 417 . 1 1 50 50 LEU HG H 1 1.749 0.020 . 1 . . . . 39 LEU HG . 26769 1 418 . 1 1 50 50 LEU HD11 H 1 1.063 0.020 . 2 . . . . 39 LEU HD11 . 26769 1 419 . 1 1 50 50 LEU HD12 H 1 1.063 0.020 . 2 . . . . 39 LEU HD12 . 26769 1 420 . 1 1 50 50 LEU HD13 H 1 1.063 0.020 . 2 . . . . 39 LEU HD13 . 26769 1 421 . 1 1 50 50 LEU HD21 H 1 0.983 0.020 . 2 . . . . 39 LEU HD21 . 26769 1 422 . 1 1 50 50 LEU HD22 H 1 0.983 0.020 . 2 . . . . 39 LEU HD22 . 26769 1 423 . 1 1 50 50 LEU HD23 H 1 0.983 0.020 . 2 . . . . 39 LEU HD23 . 26769 1 424 . 1 1 50 50 LEU C C 13 177.025 0.200 . 1 . . . . 39 LEU C . 26769 1 425 . 1 1 50 50 LEU CA C 13 58.485 0.200 . 1 . . . . 39 LEU CA . 26769 1 426 . 1 1 50 50 LEU CB C 13 42.218 0.200 . 1 . . . . 39 LEU CB . 26769 1 427 . 1 1 50 50 LEU CG C 13 26.567 0.200 . 1 . . . . 39 LEU CG . 26769 1 428 . 1 1 50 50 LEU CD1 C 13 23.167 0.200 . 2 . . . . 39 LEU CD1 . 26769 1 429 . 1 1 50 50 LEU CD2 C 13 25.886 0.200 . 2 . . . . 39 LEU CD2 . 26769 1 430 . 1 1 50 50 LEU N N 15 122.904 0.200 . 1 . . . . 39 LEU N . 26769 1 431 . 1 1 51 51 GLU H H 1 7.496 0.020 . 1 . . . . 40 GLU H . 26769 1 432 . 1 1 51 51 GLU HA H 1 3.910 0.020 . 1 . . . . 40 GLU HA . 26769 1 433 . 1 1 51 51 GLU HB2 H 1 2.119 0.020 . 1 . . . . 40 GLU HB2 . 26769 1 434 . 1 1 51 51 GLU HB3 H 1 2.119 0.020 . 1 . . . . 40 GLU HB3 . 26769 1 435 . 1 1 51 51 GLU HG2 H 1 2.183 0.020 . 2 . . . . 40 GLU HG2 . 26769 1 436 . 1 1 51 51 GLU HG3 H 1 2.400 0.020 . 2 . . . . 40 GLU HG3 . 26769 1 437 . 1 1 51 51 GLU C C 13 180.941 0.200 . 1 . . . . 40 GLU C . 26769 1 438 . 1 1 51 51 GLU CA C 13 59.425 0.200 . 1 . . . . 40 GLU CA . 26769 1 439 . 1 1 51 51 GLU CB C 13 29.428 0.200 . 1 . . . . 40 GLU CB . 26769 1 440 . 1 1 51 51 GLU CG C 13 36.185 0.200 . 1 . . . . 40 GLU CG . 26769 1 441 . 1 1 51 51 GLU N N 15 116.050 0.200 . 1 . . . . 40 GLU N . 26769 1 442 . 1 1 52 52 LYS H H 1 8.212 0.020 . 1 . . . . 41 LYS H . 26769 1 443 . 1 1 52 52 LYS HA H 1 4.055 0.020 . 1 . . . . 41 LYS HA . 26769 1 444 . 1 1 52 52 LYS HB2 H 1 1.861 0.020 . 2 . . . . 41 LYS HB2 . 26769 1 445 . 1 1 52 52 LYS HB3 H 1 1.503 0.020 . 2 . . . . 41 LYS HB3 . 26769 1 446 . 1 1 52 52 LYS C C 13 177.902 0.200 . 1 . . . . 41 LYS C . 26769 1 447 . 1 1 52 52 LYS CA C 13 59.404 0.200 . 1 . . . . 41 LYS CA . 26769 1 448 . 1 1 52 52 LYS CB C 13 33.032 0.200 . 1 . . . . 41 LYS CB . 26769 1 449 . 1 1 52 52 LYS N N 15 118.445 0.200 . 1 . . . . 41 LYS N . 26769 1 450 . 1 1 53 53 ALA H H 1 8.573 0.020 . 1 . . . . 42 ALA H . 26769 1 451 . 1 1 53 53 ALA HA H 1 3.869 0.020 . 1 . . . . 42 ALA HA . 26769 1 452 . 1 1 53 53 ALA HB1 H 1 1.027 0.020 . 1 . . . . 42 ALA HB1 . 26769 1 453 . 1 1 53 53 ALA HB2 H 1 1.027 0.020 . 1 . . . . 42 ALA HB2 . 26769 1 454 . 1 1 53 53 ALA HB3 H 1 1.027 0.020 . 1 . . . . 42 ALA HB3 . 26769 1 455 . 1 1 53 53 ALA C C 13 177.634 0.200 . 1 . . . . 42 ALA C . 26769 1 456 . 1 1 53 53 ALA CA C 13 54.455 0.200 . 1 . . . . 42 ALA CA . 26769 1 457 . 1 1 53 53 ALA CB C 13 18.138 0.200 . 1 . . . . 42 ALA CB . 26769 1 458 . 1 1 53 53 ALA N N 15 120.260 0.200 . 1 . . . . 42 ALA N . 26769 1 459 . 1 1 54 54 LEU H H 1 7.389 0.020 . 1 . . . . 43 LEU H . 26769 1 460 . 1 1 54 54 LEU HA H 1 4.421 0.020 . 1 . . . . 43 LEU HA . 26769 1 461 . 1 1 54 54 LEU HB2 H 1 1.491 0.020 . 2 . . . . 43 LEU HB2 . 26769 1 462 . 1 1 54 54 LEU HB3 H 1 1.746 0.020 . 2 . . . . 43 LEU HB3 . 26769 1 463 . 1 1 54 54 LEU HG H 1 1.846 0.020 . 1 . . . . 43 LEU HG . 26769 1 464 . 1 1 54 54 LEU HD11 H 1 0.593 0.020 . 2 . . . . 43 LEU HD11 . 26769 1 465 . 1 1 54 54 LEU HD12 H 1 0.593 0.020 . 2 . . . . 43 LEU HD12 . 26769 1 466 . 1 1 54 54 LEU HD13 H 1 0.593 0.020 . 2 . . . . 43 LEU HD13 . 26769 1 467 . 1 1 54 54 LEU HD21 H 1 0.501 0.020 . 2 . . . . 43 LEU HD21 . 26769 1 468 . 1 1 54 54 LEU HD22 H 1 0.501 0.020 . 2 . . . . 43 LEU HD22 . 26769 1 469 . 1 1 54 54 LEU HD23 H 1 0.501 0.020 . 2 . . . . 43 LEU HD23 . 26769 1 470 . 1 1 54 54 LEU C C 13 178.196 0.200 . 1 . . . . 43 LEU C . 26769 1 471 . 1 1 54 54 LEU CA C 13 54.962 0.200 . 1 . . . . 43 LEU CA . 26769 1 472 . 1 1 54 54 LEU CB C 13 42.108 0.200 . 1 . . . . 43 LEU CB . 26769 1 473 . 1 1 54 54 LEU CG C 13 26.413 0.200 . 1 . . . . 43 LEU CG . 26769 1 474 . 1 1 54 54 LEU CD1 C 13 21.977 0.200 . 2 . . . . 43 LEU CD1 . 26769 1 475 . 1 1 54 54 LEU CD2 C 13 24.485 0.200 . 2 . . . . 43 LEU CD2 . 26769 1 476 . 1 1 54 54 LEU N N 15 111.635 0.200 . 1 . . . . 43 LEU N . 26769 1 477 . 1 1 55 55 SER H H 1 7.712 0.020 . 1 . . . . 44 SER H . 26769 1 478 . 1 1 55 55 SER HA H 1 4.606 0.020 . 1 . . . . 44 SER HA . 26769 1 479 . 1 1 55 55 SER HB2 H 1 3.928 0.020 . 2 . . . . 44 SER HB2 . 26769 1 480 . 1 1 55 55 SER HB3 H 1 4.031 0.020 . 2 . . . . 44 SER HB3 . 26769 1 481 . 1 1 55 55 SER C C 13 173.692 0.200 . 1 . . . . 44 SER C . 26769 1 482 . 1 1 55 55 SER CA C 13 59.530 0.200 . 1 . . . . 44 SER CA . 26769 1 483 . 1 1 55 55 SER CB C 13 65.307 0.200 . 1 . . . . 44 SER CB . 26769 1 484 . 1 1 55 55 SER N N 15 113.263 0.200 . 1 . . . . 44 SER N . 26769 1 485 . 1 1 56 56 GLU H H 1 8.029 0.020 . 1 . . . . 45 GLU H . 26769 1 486 . 1 1 56 56 GLU HA H 1 4.894 0.020 . 1 . . . . 45 GLU HA . 26769 1 487 . 1 1 56 56 GLU HB2 H 1 1.930 0.020 . 2 . . . . 45 GLU HB2 . 26769 1 488 . 1 1 56 56 GLU HB3 H 1 1.886 0.020 . 2 . . . . 45 GLU HB3 . 26769 1 489 . 1 1 56 56 GLU HG2 H 1 2.052 0.020 . 2 . . . . 45 GLU HG2 . 26769 1 490 . 1 1 56 56 GLU HG3 H 1 2.271 0.020 . 2 . . . . 45 GLU HG3 . 26769 1 491 . 1 1 56 56 GLU C C 13 173.614 0.200 . 1 . . . . 45 GLU C . 26769 1 492 . 1 1 56 56 GLU CA C 13 53.730 0.200 . 1 . . . . 45 GLU CA . 26769 1 493 . 1 1 56 56 GLU CB C 13 30.770 0.200 . 1 . . . . 45 GLU CB . 26769 1 494 . 1 1 56 56 GLU CG C 13 35.484 0.200 . 1 . . . . 45 GLU CG . 26769 1 495 . 1 1 56 56 GLU N N 15 122.259 0.200 . 1 . . . . 45 GLU N . 26769 1 496 . 1 1 57 57 PRO HA H 1 4.566 0.020 . 1 . . . . 46 PRO HA . 26769 1 497 . 1 1 57 57 PRO HB2 H 1 2.007 0.020 . 2 . . . . 46 PRO HB2 . 26769 1 498 . 1 1 57 57 PRO HB3 H 1 2.101 0.020 . 2 . . . . 46 PRO HB3 . 26769 1 499 . 1 1 57 57 PRO HG2 H 1 2.065 0.020 . 2 . . . . 46 PRO HG2 . 26769 1 500 . 1 1 57 57 PRO HG3 H 1 1.988 0.020 . 2 . . . . 46 PRO HG3 . 26769 1 501 . 1 1 57 57 PRO HD2 H 1 3.740 0.020 . 1 . . . . 46 PRO HD2 . 26769 1 502 . 1 1 57 57 PRO HD3 H 1 3.740 0.020 . 1 . . . . 46 PRO HD3 . 26769 1 503 . 1 1 57 57 PRO C C 13 176.116 0.200 . 1 . . . . 46 PRO C . 26769 1 504 . 1 1 57 57 PRO CA C 13 63.045 0.200 . 1 . . . . 46 PRO CA . 26769 1 505 . 1 1 57 57 PRO CB C 13 30.456 0.200 . 1 . . . . 46 PRO CB . 26769 1 506 . 1 1 57 57 PRO CG C 13 27.820 0.200 . 1 . . . . 46 PRO CG . 26769 1 507 . 1 1 57 57 PRO CD C 13 50.320 0.200 . 1 . . . . 46 PRO CD . 26769 1 508 . 1 1 58 58 VAL H H 1 7.978 0.020 . 1 . . . . 47 VAL H . 26769 1 509 . 1 1 58 58 VAL HA H 1 4.139 0.020 . 1 . . . . 47 VAL HA . 26769 1 510 . 1 1 58 58 VAL HB H 1 2.045 0.020 . 1 . . . . 47 VAL HB . 26769 1 511 . 1 1 58 58 VAL HG11 H 1 0.856 0.020 . 2 . . . . 47 VAL HG11 . 26769 1 512 . 1 1 58 58 VAL HG12 H 1 0.856 0.020 . 2 . . . . 47 VAL HG12 . 26769 1 513 . 1 1 58 58 VAL HG13 H 1 0.856 0.020 . 2 . . . . 47 VAL HG13 . 26769 1 514 . 1 1 58 58 VAL HG21 H 1 0.851 0.020 . 2 . . . . 47 VAL HG21 . 26769 1 515 . 1 1 58 58 VAL HG22 H 1 0.851 0.020 . 2 . . . . 47 VAL HG22 . 26769 1 516 . 1 1 58 58 VAL HG23 H 1 0.851 0.020 . 2 . . . . 47 VAL HG23 . 26769 1 517 . 1 1 58 58 VAL C C 13 174.271 0.200 . 1 . . . . 47 VAL C . 26769 1 518 . 1 1 58 58 VAL CA C 13 60.861 0.200 . 1 . . . . 47 VAL CA . 26769 1 519 . 1 1 58 58 VAL CB C 13 34.726 0.200 . 1 . . . . 47 VAL CB . 26769 1 520 . 1 1 58 58 VAL CG1 C 13 22.964 0.200 . 2 . . . . 47 VAL CG1 . 26769 1 521 . 1 1 58 58 VAL CG2 C 13 20.214 0.200 . 2 . . . . 47 VAL CG2 . 26769 1 522 . 1 1 58 58 VAL N N 15 118.738 0.200 . 1 . . . . 47 VAL N . 26769 1 523 . 1 1 59 59 ASP H H 1 9.180 0.020 . 1 . . . . 48 ASP H . 26769 1 524 . 1 1 59 59 ASP HA H 1 4.983 0.020 . 1 . . . . 48 ASP HA . 26769 1 525 . 1 1 59 59 ASP HB2 H 1 2.801 0.020 . 2 . . . . 48 ASP HB2 . 26769 1 526 . 1 1 59 59 ASP HB3 H 1 2.681 0.020 . 2 . . . . 48 ASP HB3 . 26769 1 527 . 1 1 59 59 ASP C C 13 175.352 0.200 . 1 . . . . 48 ASP C . 26769 1 528 . 1 1 59 59 ASP CA C 13 55.949 0.200 . 1 . . . . 48 ASP CA . 26769 1 529 . 1 1 59 59 ASP CB C 13 43.651 0.200 . 1 . . . . 48 ASP CB . 26769 1 530 . 1 1 59 59 ASP N N 15 120.961 0.200 . 1 . . . . 48 ASP N . 26769 1 531 . 1 1 60 60 ALA H H 1 7.757 0.020 . 1 . . . . 49 ALA H . 26769 1 532 . 1 1 60 60 ALA HA H 1 4.821 0.020 . 1 . . . . 49 ALA HA . 26769 1 533 . 1 1 60 60 ALA HB1 H 1 1.268 0.020 . 1 . . . . 49 ALA HB1 . 26769 1 534 . 1 1 60 60 ALA HB2 H 1 1.268 0.020 . 1 . . . . 49 ALA HB2 . 26769 1 535 . 1 1 60 60 ALA HB3 H 1 1.268 0.020 . 1 . . . . 49 ALA HB3 . 26769 1 536 . 1 1 60 60 ALA C C 13 174.481 0.200 . 1 . . . . 49 ALA C . 26769 1 537 . 1 1 60 60 ALA CA C 13 51.343 0.200 . 1 . . . . 49 ALA CA . 26769 1 538 . 1 1 60 60 ALA CB C 13 22.868 0.200 . 1 . . . . 49 ALA CB . 26769 1 539 . 1 1 60 60 ALA N N 15 116.212 0.200 . 1 . . . . 49 ALA N . 26769 1 540 . 1 1 61 61 ILE H H 1 8.409 0.020 . 1 . . . . 50 ILE H . 26769 1 541 . 1 1 61 61 ILE HA H 1 4.932 0.020 . 1 . . . . 50 ILE HA . 26769 1 542 . 1 1 61 61 ILE HB H 1 1.587 0.020 . 1 . . . . 50 ILE HB . 26769 1 543 . 1 1 61 61 ILE HG12 H 1 1.308 0.020 . 2 . . . . 50 ILE HG12 . 26769 1 544 . 1 1 61 61 ILE HG13 H 1 0.915 0.020 . 2 . . . . 50 ILE HG13 . 26769 1 545 . 1 1 61 61 ILE HG21 H 1 0.689 0.020 . 1 . . . . 50 ILE HG21 . 26769 1 546 . 1 1 61 61 ILE HG22 H 1 0.689 0.020 . 1 . . . . 50 ILE HG22 . 26769 1 547 . 1 1 61 61 ILE HG23 H 1 0.689 0.020 . 1 . . . . 50 ILE HG23 . 26769 1 548 . 1 1 61 61 ILE HD11 H 1 0.381 0.020 . 1 . . . . 50 ILE HD11 . 26769 1 549 . 1 1 61 61 ILE HD12 H 1 0.381 0.020 . 1 . . . . 50 ILE HD12 . 26769 1 550 . 1 1 61 61 ILE HD13 H 1 0.381 0.020 . 1 . . . . 50 ILE HD13 . 26769 1 551 . 1 1 61 61 ILE C C 13 173.580 0.200 . 1 . . . . 50 ILE C . 26769 1 552 . 1 1 61 61 ILE CA C 13 60.135 0.200 . 1 . . . . 50 ILE CA . 26769 1 553 . 1 1 61 61 ILE CB C 13 42.576 0.200 . 1 . . . . 50 ILE CB . 26769 1 554 . 1 1 61 61 ILE CG1 C 13 29.034 0.200 . 1 . . . . 50 ILE CG1 . 26769 1 555 . 1 1 61 61 ILE CG2 C 13 18.194 0.200 . 1 . . . . 50 ILE CG2 . 26769 1 556 . 1 1 61 61 ILE CD1 C 13 14.984 0.200 . 1 . . . . 50 ILE CD1 . 26769 1 557 . 1 1 61 61 ILE N N 15 119.361 0.200 . 1 . . . . 50 ILE N . 26769 1 558 . 1 1 62 62 ILE H H 1 9.262 0.020 . 1 . . . . 51 ILE H . 26769 1 559 . 1 1 62 62 ILE HA H 1 4.941 0.020 . 1 . . . . 51 ILE HA . 26769 1 560 . 1 1 62 62 ILE HB H 1 1.489 0.020 . 1 . . . . 51 ILE HB . 26769 1 561 . 1 1 62 62 ILE HG12 H 1 1.364 0.020 . 1 . . . . 51 ILE HG12 . 26769 1 562 . 1 1 62 62 ILE HG21 H 1 0.670 0.020 . 1 . . . . 51 ILE HG21 . 26769 1 563 . 1 1 62 62 ILE HG22 H 1 0.670 0.020 . 1 . . . . 51 ILE HG22 . 26769 1 564 . 1 1 62 62 ILE HG23 H 1 0.670 0.020 . 1 . . . . 51 ILE HG23 . 26769 1 565 . 1 1 62 62 ILE HD11 H 1 0.574 0.020 . 1 . . . . 51 ILE HD11 . 26769 1 566 . 1 1 62 62 ILE HD12 H 1 0.574 0.020 . 1 . . . . 51 ILE HD12 . 26769 1 567 . 1 1 62 62 ILE HD13 H 1 0.574 0.020 . 1 . . . . 51 ILE HD13 . 26769 1 568 . 1 1 62 62 ILE C C 13 174.063 0.200 . 1 . . . . 51 ILE C . 26769 1 569 . 1 1 62 62 ILE CA C 13 59.762 0.200 . 1 . . . . 51 ILE CA . 26769 1 570 . 1 1 62 62 ILE CB C 13 40.734 0.200 . 1 . . . . 51 ILE CB . 26769 1 571 . 1 1 62 62 ILE CG2 C 13 17.193 0.200 . 1 . . . . 51 ILE CG2 . 26769 1 572 . 1 1 62 62 ILE CD1 C 13 15.311 0.200 . 1 . . . . 51 ILE CD1 . 26769 1 573 . 1 1 62 62 ILE N N 15 126.984 0.200 . 1 . . . . 51 ILE N . 26769 1 574 . 1 1 63 63 THR H H 1 8.955 0.020 . 1 . . . . 52 THR H . 26769 1 575 . 1 1 63 63 THR HA H 1 5.647 0.020 . 1 . . . . 52 THR HA . 26769 1 576 . 1 1 63 63 THR HB H 1 3.526 0.020 . 1 . . . . 52 THR HB . 26769 1 577 . 1 1 63 63 THR HG21 H 1 1.098 0.020 . 1 . . . . 52 THR HG21 . 26769 1 578 . 1 1 63 63 THR HG22 H 1 1.098 0.020 . 1 . . . . 52 THR HG22 . 26769 1 579 . 1 1 63 63 THR HG23 H 1 1.098 0.020 . 1 . . . . 52 THR HG23 . 26769 1 580 . 1 1 63 63 THR C C 13 170.236 0.200 . 1 . . . . 52 THR C . 26769 1 581 . 1 1 63 63 THR CA C 13 58.634 0.200 . 1 . . . . 52 THR CA . 26769 1 582 . 1 1 63 63 THR CB C 13 71.201 0.200 . 1 . . . . 52 THR CB . 26769 1 583 . 1 1 63 63 THR CG2 C 13 19.911 0.200 . 1 . . . . 52 THR CG2 . 26769 1 584 . 1 1 63 63 THR N N 15 119.901 0.200 . 1 . . . . 52 THR N . 26769 1 585 . 1 1 64 64 ASP H H 1 8.019 0.020 . 1 . . . . 53 ASP H . 26769 1 586 . 1 1 64 64 ASP HA H 1 4.803 0.020 . 1 . . . . 53 ASP HA . 26769 1 587 . 1 1 64 64 ASP HB2 H 1 2.950 0.020 . 2 . . . . 53 ASP HB2 . 26769 1 588 . 1 1 64 64 ASP HB3 H 1 3.275 0.020 . 2 . . . . 53 ASP HB3 . 26769 1 589 . 1 1 64 64 ASP C C 13 174.930 0.200 . 1 . . . . 53 ASP C . 26769 1 590 . 1 1 64 64 ASP CA C 13 53.425 0.200 . 1 . . . . 53 ASP CA . 26769 1 591 . 1 1 64 64 ASP CB C 13 45.421 0.200 . 1 . . . . 53 ASP CB . 26769 1 592 . 1 1 64 64 ASP N N 15 127.062 0.200 . 1 . . . . 53 ASP N . 26769 1 593 . 1 1 65 65 GLN H H 1 7.332 0.020 . 1 . . . . 54 GLN H . 26769 1 594 . 1 1 65 65 GLN HA H 1 4.334 0.020 . 1 . . . . 54 GLN HA . 26769 1 595 . 1 1 65 65 GLN HB2 H 1 2.274 0.020 . 2 . . . . 54 GLN HB2 . 26769 1 596 . 1 1 65 65 GLN HB3 H 1 2.274 0.020 . 2 . . . . 54 GLN HB3 . 26769 1 597 . 1 1 65 65 GLN HG2 H 1 2.547 0.020 . 2 . . . . 54 GLN HG2 . 26769 1 598 . 1 1 65 65 GLN HG3 H 1 2.731 0.020 . 2 . . . . 54 GLN HG3 . 26769 1 599 . 1 1 65 65 GLN HE21 H 1 7.006 0.020 . 1 . . . . 54 GLN HE21 . 26769 1 600 . 1 1 65 65 GLN HE22 H 1 7.675 0.020 . 1 . . . . 54 GLN HE22 . 26769 1 601 . 1 1 65 65 GLN C C 13 177.371 0.200 . 1 . . . . 54 GLN C . 26769 1 602 . 1 1 65 65 GLN CA C 13 58.251 0.200 . 1 . . . . 54 GLN CA . 26769 1 603 . 1 1 65 65 GLN CB C 13 29.508 0.200 . 1 . . . . 54 GLN CB . 26769 1 604 . 1 1 65 65 GLN CG C 13 31.993 0.200 . 1 . . . . 54 GLN CG . 26769 1 605 . 1 1 65 65 GLN N N 15 120.189 0.200 . 1 . . . . 54 GLN N . 26769 1 606 . 1 1 65 65 GLN NE2 N 15 110.592 0.200 . 1 . . . . 54 GLN NE2 . 26769 1 607 . 1 1 66 66 ASN HA H 1 5.272 0.020 . 1 . . . . 55 ASN HA . 26769 1 608 . 1 1 66 66 ASN HB2 H 1 3.001 0.020 . 2 . . . . 55 ASN HB2 . 26769 1 609 . 1 1 66 66 ASN HB3 H 1 2.909 0.020 . 2 . . . . 55 ASN HB3 . 26769 1 610 . 1 1 66 66 ASN CA C 13 53.773 0.200 . 1 . . . . 55 ASN CA . 26769 1 611 . 1 1 66 66 ASN CB C 13 38.460 0.200 . 1 . . . . 55 ASN CB . 26769 1 612 . 1 1 67 67 MET H H 1 7.655 0.020 . 1 . . . . 56 MET H . 26769 1 613 . 1 1 67 67 MET C C 13 171.211 0.200 . 1 . . . . 56 MET C . 26769 1 614 . 1 1 67 67 MET N N 15 126.473 0.200 . 1 . . . . 56 MET N . 26769 1 615 . 1 1 68 68 PRO HA H 1 4.428 0.020 . 1 . . . . 57 PRO HA . 26769 1 616 . 1 1 68 68 PRO HB2 H 1 2.355 0.020 . 2 . . . . 57 PRO HB2 . 26769 1 617 . 1 1 68 68 PRO HB3 H 1 1.935 0.020 . 2 . . . . 57 PRO HB3 . 26769 1 618 . 1 1 68 68 PRO HG2 H 1 2.145 0.020 . 1 . . . . 57 PRO HG2 . 26769 1 619 . 1 1 68 68 PRO HG3 H 1 2.145 0.020 . 1 . . . . 57 PRO HG3 . 26769 1 620 . 1 1 68 68 PRO HD2 H 1 3.598 0.020 . 1 . . . . 57 PRO HD2 . 26769 1 621 . 1 1 68 68 PRO HD3 H 1 3.598 0.020 . 1 . . . . 57 PRO HD3 . 26769 1 622 . 1 1 68 68 PRO C C 13 176.697 0.200 . 1 . . . . 57 PRO C . 26769 1 623 . 1 1 68 68 PRO CA C 13 62.543 0.200 . 1 . . . . 57 PRO CA . 26769 1 624 . 1 1 68 68 PRO CB C 13 32.913 0.200 . 1 . . . . 57 PRO CB . 26769 1 625 . 1 1 68 68 PRO CG C 13 27.053 0.200 . 1 . . . . 57 PRO CG . 26769 1 626 . 1 1 68 68 PRO CD C 13 50.458 0.200 . 1 . . . . 57 PRO CD . 26769 1 627 . 1 1 69 69 ASN H H 1 8.715 0.020 . 1 . . . . 58 ASN H . 26769 1 628 . 1 1 69 69 ASN HA H 1 4.071 0.020 . 1 . . . . 58 ASN HA . 26769 1 629 . 1 1 69 69 ASN HB2 H 1 2.501 0.020 . 2 . . . . 58 ASN HB2 . 26769 1 630 . 1 1 69 69 ASN HB3 H 1 3.287 0.020 . 2 . . . . 58 ASN HB3 . 26769 1 631 . 1 1 69 69 ASN HD21 H 1 7.862 0.020 . 1 . . . . 58 ASN HD21 . 26769 1 632 . 1 1 69 69 ASN HD22 H 1 7.144 0.020 . 1 . . . . 58 ASN HD22 . 26769 1 633 . 1 1 69 69 ASN C C 13 175.802 0.200 . 1 . . . . 58 ASN C . 26769 1 634 . 1 1 69 69 ASN CA C 13 59.149 0.200 . 1 . . . . 58 ASN CA . 26769 1 635 . 1 1 69 69 ASN CB C 13 37.773 0.200 . 1 . . . . 58 ASN CB . 26769 1 636 . 1 1 69 69 ASN N N 15 112.150 0.200 . 1 . . . . 58 ASN N . 26769 1 637 . 1 1 69 69 ASN ND2 N 15 117.172 0.200 . 1 . . . . 58 ASN ND2 . 26769 1 638 . 1 1 70 70 LEU H H 1 9.286 0.020 . 1 . . . . 59 LEU H . 26769 1 639 . 1 1 70 70 LEU HA H 1 4.496 0.020 . 1 . . . . 59 LEU HA . 26769 1 640 . 1 1 70 70 LEU HB2 H 1 1.350 0.020 . 2 . . . . 59 LEU HB2 . 26769 1 641 . 1 1 70 70 LEU HB3 H 1 1.588 0.020 . 2 . . . . 59 LEU HB3 . 26769 1 642 . 1 1 70 70 LEU HG H 1 1.794 0.020 . 1 . . . . 59 LEU HG . 26769 1 643 . 1 1 70 70 LEU HD11 H 1 1.016 0.020 . 2 . . . . 59 LEU HD11 . 26769 1 644 . 1 1 70 70 LEU HD12 H 1 1.016 0.020 . 2 . . . . 59 LEU HD12 . 26769 1 645 . 1 1 70 70 LEU HD13 H 1 1.016 0.020 . 2 . . . . 59 LEU HD13 . 26769 1 646 . 1 1 70 70 LEU HD21 H 1 0.782 0.020 . 2 . . . . 59 LEU HD21 . 26769 1 647 . 1 1 70 70 LEU HD22 H 1 0.782 0.020 . 2 . . . . 59 LEU HD22 . 26769 1 648 . 1 1 70 70 LEU HD23 H 1 0.782 0.020 . 2 . . . . 59 LEU HD23 . 26769 1 649 . 1 1 70 70 LEU C C 13 174.153 0.200 . 1 . . . . 59 LEU C . 26769 1 650 . 1 1 70 70 LEU CA C 13 56.087 0.200 . 1 . . . . 59 LEU CA . 26769 1 651 . 1 1 70 70 LEU CB C 13 44.483 0.200 . 1 . . . . 59 LEU CB . 26769 1 652 . 1 1 70 70 LEU CG C 13 26.947 0.200 . 1 . . . . 59 LEU CG . 26769 1 653 . 1 1 70 70 LEU CD1 C 13 23.665 0.200 . 2 . . . . 59 LEU CD1 . 26769 1 654 . 1 1 70 70 LEU CD2 C 13 25.084 0.200 . 2 . . . . 59 LEU CD2 . 26769 1 655 . 1 1 70 70 LEU N N 15 125.465 0.200 . 1 . . . . 59 LEU N . 26769 1 656 . 1 1 71 71 ASP H H 1 8.204 0.020 . 1 . . . . 60 ASP H . 26769 1 657 . 1 1 71 71 ASP HA H 1 4.509 0.020 . 1 . . . . 60 ASP HA . 26769 1 658 . 1 1 71 71 ASP HB2 H 1 3.082 0.020 . 2 . . . . 60 ASP HB2 . 26769 1 659 . 1 1 71 71 ASP HB3 H 1 3.851 0.020 . 2 . . . . 60 ASP HB3 . 26769 1 660 . 1 1 71 71 ASP C C 13 174.988 0.200 . 1 . . . . 60 ASP C . 26769 1 661 . 1 1 71 71 ASP CA C 13 52.897 0.200 . 1 . . . . 60 ASP CA . 26769 1 662 . 1 1 71 71 ASP CB C 13 40.548 0.200 . 1 . . . . 60 ASP CB . 26769 1 663 . 1 1 71 71 ASP N N 15 125.499 0.200 . 1 . . . . 60 ASP N . 26769 1 664 . 1 1 72 72 GLY H H 1 8.577 0.020 . 1 . . . . 61 GLY H . 26769 1 665 . 1 1 72 72 GLY HA2 H 1 3.923 0.020 . 2 . . . . 61 GLY HA2 . 26769 1 666 . 1 1 72 72 GLY HA3 H 1 4.504 0.020 . 2 . . . . 61 GLY HA3 . 26769 1 667 . 1 1 72 72 GLY C C 13 176.206 0.200 . 1 . . . . 61 GLY C . 26769 1 668 . 1 1 72 72 GLY CA C 13 49.319 0.200 . 1 . . . . 61 GLY CA . 26769 1 669 . 1 1 72 72 GLY N N 15 106.264 0.200 . 1 . . . . 61 GLY N . 26769 1 670 . 1 1 73 73 LEU H H 1 9.325 0.020 . 1 . . . . 62 LEU H . 26769 1 671 . 1 1 73 73 LEU HA H 1 4.175 0.020 . 1 . . . . 62 LEU HA . 26769 1 672 . 1 1 73 73 LEU HB2 H 1 1.444 0.020 . 2 . . . . 62 LEU HB2 . 26769 1 673 . 1 1 73 73 LEU HB3 H 1 1.934 0.020 . 2 . . . . 62 LEU HB3 . 26769 1 674 . 1 1 73 73 LEU HG H 1 1.913 0.020 . 1 . . . . 62 LEU HG . 26769 1 675 . 1 1 73 73 LEU HD11 H 1 0.561 0.020 . 2 . . . . 62 LEU HD11 . 26769 1 676 . 1 1 73 73 LEU HD12 H 1 0.561 0.020 . 2 . . . . 62 LEU HD12 . 26769 1 677 . 1 1 73 73 LEU HD13 H 1 0.561 0.020 . 2 . . . . 62 LEU HD13 . 26769 1 678 . 1 1 73 73 LEU HD21 H 1 0.895 0.020 . 2 . . . . 62 LEU HD21 . 26769 1 679 . 1 1 73 73 LEU HD22 H 1 0.895 0.020 . 2 . . . . 62 LEU HD22 . 26769 1 680 . 1 1 73 73 LEU HD23 H 1 0.895 0.020 . 2 . . . . 62 LEU HD23 . 26769 1 681 . 1 1 73 73 LEU C C 13 179.258 0.200 . 1 . . . . 62 LEU C . 26769 1 682 . 1 1 73 73 LEU CA C 13 58.380 0.200 . 1 . . . . 62 LEU CA . 26769 1 683 . 1 1 73 73 LEU CB C 13 41.321 0.200 . 1 . . . . 62 LEU CB . 26769 1 684 . 1 1 73 73 LEU CG C 13 26.875 0.200 . 1 . . . . 62 LEU CG . 26769 1 685 . 1 1 73 73 LEU CD1 C 13 23.147 0.200 . 2 . . . . 62 LEU CD1 . 26769 1 686 . 1 1 73 73 LEU CD2 C 13 25.251 0.200 . 2 . . . . 62 LEU CD2 . 26769 1 687 . 1 1 73 73 LEU N N 15 121.777 0.200 . 1 . . . . 62 LEU N . 26769 1 688 . 1 1 74 74 GLY H H 1 8.616 0.020 . 1 . . . . 63 GLY H . 26769 1 689 . 1 1 74 74 GLY HA2 H 1 3.857 0.020 . 2 . . . . 63 GLY HA2 . 26769 1 690 . 1 1 74 74 GLY HA3 H 1 3.783 0.020 . 2 . . . . 63 GLY HA3 . 26769 1 691 . 1 1 74 74 GLY C C 13 177.095 0.200 . 1 . . . . 63 GLY C . 26769 1 692 . 1 1 74 74 GLY CA C 13 47.461 0.200 . 1 . . . . 63 GLY CA . 26769 1 693 . 1 1 74 74 GLY N N 15 108.303 0.200 . 1 . . . . 63 GLY N . 26769 1 694 . 1 1 75 75 PHE H H 1 8.999 0.020 . 1 . . . . 64 PHE H . 26769 1 695 . 1 1 75 75 PHE HA H 1 4.527 0.020 . 1 . . . . 64 PHE HA . 26769 1 696 . 1 1 75 75 PHE HB2 H 1 3.260 0.020 . 2 . . . . 64 PHE HB2 . 26769 1 697 . 1 1 75 75 PHE HB3 H 1 3.686 0.020 . 2 . . . . 64 PHE HB3 . 26769 1 698 . 1 1 75 75 PHE HD1 H 1 7.422 0.020 . 3 . . . . 64 PHE HD1 . 26769 1 699 . 1 1 75 75 PHE HD2 H 1 7.422 0.020 . 3 . . . . 64 PHE HD2 . 26769 1 700 . 1 1 75 75 PHE HE1 H 1 6.716 0.020 . 3 . . . . 64 PHE HE1 . 26769 1 701 . 1 1 75 75 PHE HE2 H 1 6.716 0.020 . 3 . . . . 64 PHE HE2 . 26769 1 702 . 1 1 75 75 PHE HZ H 1 6.438 0.020 . 1 . . . . 64 PHE HZ . 26769 1 703 . 1 1 75 75 PHE C C 13 175.909 0.200 . 1 . . . . 64 PHE C . 26769 1 704 . 1 1 75 75 PHE CA C 13 59.800 0.200 . 1 . . . . 64 PHE CA . 26769 1 705 . 1 1 75 75 PHE CB C 13 38.347 0.200 . 1 . . . . 64 PHE CB . 26769 1 706 . 1 1 75 75 PHE CD1 C 13 131.957 0.200 . 3 . . . . 64 PHE CD1 . 26769 1 707 . 1 1 75 75 PHE CD2 C 13 131.957 0.200 . 3 . . . . 64 PHE CD2 . 26769 1 708 . 1 1 75 75 PHE CE1 C 13 129.281 0.200 . 3 . . . . 64 PHE CE1 . 26769 1 709 . 1 1 75 75 PHE CE2 C 13 129.281 0.200 . 3 . . . . 64 PHE CE2 . 26769 1 710 . 1 1 75 75 PHE CZ C 13 127.735 0.200 . 1 . . . . 64 PHE CZ . 26769 1 711 . 1 1 75 75 PHE N N 15 125.174 0.200 . 1 . . . . 64 PHE N . 26769 1 712 . 1 1 76 76 ILE H H 1 8.657 0.020 . 1 . . . . 65 ILE H . 26769 1 713 . 1 1 76 76 ILE HA H 1 3.224 0.020 . 1 . . . . 65 ILE HA . 26769 1 714 . 1 1 76 76 ILE HB H 1 1.948 0.020 . 1 . . . . 65 ILE HB . 26769 1 715 . 1 1 76 76 ILE HG12 H 1 2.019 0.020 . 2 . . . . 65 ILE HG12 . 26769 1 716 . 1 1 76 76 ILE HG13 H 1 1.138 0.020 . 2 . . . . 65 ILE HG13 . 26769 1 717 . 1 1 76 76 ILE HG21 H 1 0.794 0.020 . 1 . . . . 65 ILE HG21 . 26769 1 718 . 1 1 76 76 ILE HG22 H 1 0.794 0.020 . 1 . . . . 65 ILE HG22 . 26769 1 719 . 1 1 76 76 ILE HG23 H 1 0.794 0.020 . 1 . . . . 65 ILE HG23 . 26769 1 720 . 1 1 76 76 ILE HD11 H 1 0.771 0.020 . 1 . . . . 65 ILE HD11 . 26769 1 721 . 1 1 76 76 ILE HD12 H 1 0.771 0.020 . 1 . . . . 65 ILE HD12 . 26769 1 722 . 1 1 76 76 ILE HD13 H 1 0.771 0.020 . 1 . . . . 65 ILE HD13 . 26769 1 723 . 1 1 76 76 ILE C C 13 177.662 0.200 . 1 . . . . 65 ILE C . 26769 1 724 . 1 1 76 76 ILE CA C 13 66.291 0.200 . 1 . . . . 65 ILE CA . 26769 1 725 . 1 1 76 76 ILE CB C 13 37.494 0.200 . 1 . . . . 65 ILE CB . 26769 1 726 . 1 1 76 76 ILE CG1 C 13 28.765 0.200 . 1 . . . . 65 ILE CG1 . 26769 1 727 . 1 1 76 76 ILE CG2 C 13 18.182 0.200 . 1 . . . . 65 ILE CG2 . 26769 1 728 . 1 1 76 76 ILE CD1 C 13 14.021 0.200 . 1 . . . . 65 ILE CD1 . 26769 1 729 . 1 1 76 76 ILE N N 15 119.872 0.200 . 1 . . . . 65 ILE N . 26769 1 730 . 1 1 77 77 ARG H H 1 8.424 0.020 . 1 . . . . 66 ARG H . 26769 1 731 . 1 1 77 77 ARG HA H 1 4.003 0.020 . 1 . . . . 66 ARG HA . 26769 1 732 . 1 1 77 77 ARG HB2 H 1 1.920 0.020 . 2 . . . . 66 ARG HB2 . 26769 1 733 . 1 1 77 77 ARG HB3 H 1 1.926 0.020 . 2 . . . . 66 ARG HB3 . 26769 1 734 . 1 1 77 77 ARG HG2 H 1 1.706 0.020 . 1 . . . . 66 ARG HG2 . 26769 1 735 . 1 1 77 77 ARG HG3 H 1 1.706 0.020 . 1 . . . . 66 ARG HG3 . 26769 1 736 . 1 1 77 77 ARG HD2 H 1 3.200 0.020 . 1 . . . . 66 ARG HD2 . 26769 1 737 . 1 1 77 77 ARG HD3 H 1 3.200 0.020 . 1 . . . . 66 ARG HD3 . 26769 1 738 . 1 1 77 77 ARG C C 13 179.055 0.200 . 1 . . . . 66 ARG C . 26769 1 739 . 1 1 77 77 ARG CA C 13 60.069 0.200 . 1 . . . . 66 ARG CA . 26769 1 740 . 1 1 77 77 ARG CB C 13 30.350 0.200 . 1 . . . . 66 ARG CB . 26769 1 741 . 1 1 77 77 ARG CG C 13 29.010 0.200 . 1 . . . . 66 ARG CG . 26769 1 742 . 1 1 77 77 ARG CD C 13 43.639 0.200 . 1 . . . . 66 ARG CD . 26769 1 743 . 1 1 77 77 ARG N N 15 117.170 0.200 . 1 . . . . 66 ARG N . 26769 1 744 . 1 1 78 78 ALA H H 1 7.899 0.020 . 1 . . . . 67 ALA H . 26769 1 745 . 1 1 78 78 ALA HA H 1 4.290 0.020 . 1 . . . . 67 ALA HA . 26769 1 746 . 1 1 78 78 ALA HB1 H 1 1.664 0.020 . 1 . . . . 67 ALA HB1 . 26769 1 747 . 1 1 78 78 ALA HB2 H 1 1.664 0.020 . 1 . . . . 67 ALA HB2 . 26769 1 748 . 1 1 78 78 ALA HB3 H 1 1.664 0.020 . 1 . . . . 67 ALA HB3 . 26769 1 749 . 1 1 78 78 ALA C C 13 181.129 0.200 . 1 . . . . 67 ALA C . 26769 1 750 . 1 1 78 78 ALA CA C 13 54.807 0.200 . 1 . . . . 67 ALA CA . 26769 1 751 . 1 1 78 78 ALA CB C 13 19.071 0.200 . 1 . . . . 67 ALA CB . 26769 1 752 . 1 1 78 78 ALA N N 15 119.897 0.200 . 1 . . . . 67 ALA N . 26769 1 753 . 1 1 79 79 PHE H H 1 9.106 0.020 . 1 . . . . 68 PHE H . 26769 1 754 . 1 1 79 79 PHE HA H 1 4.327 0.020 . 1 . . . . 68 PHE HA . 26769 1 755 . 1 1 79 79 PHE HB2 H 1 2.824 0.020 . 2 . . . . 68 PHE HB2 . 26769 1 756 . 1 1 79 79 PHE HB3 H 1 2.912 0.020 . 2 . . . . 68 PHE HB3 . 26769 1 757 . 1 1 79 79 PHE HD1 H 1 6.963 0.020 . 3 . . . . 68 PHE HD1 . 26769 1 758 . 1 1 79 79 PHE HD2 H 1 6.963 0.020 . 3 . . . . 68 PHE HD2 . 26769 1 759 . 1 1 79 79 PHE C C 13 177.579 0.200 . 1 . . . . 68 PHE C . 26769 1 760 . 1 1 79 79 PHE CA C 13 60.156 0.200 . 1 . . . . 68 PHE CA . 26769 1 761 . 1 1 79 79 PHE CB C 13 39.646 0.200 . 1 . . . . 68 PHE CB . 26769 1 762 . 1 1 79 79 PHE N N 15 120.017 0.200 . 1 . . . . 68 PHE N . 26769 1 763 . 1 1 80 80 ARG H H 1 8.212 0.020 . 1 . . . . 69 ARG H . 26769 1 764 . 1 1 80 80 ARG HA H 1 4.257 0.020 . 1 . . . . 69 ARG HA . 26769 1 765 . 1 1 80 80 ARG HB2 H 1 1.991 0.020 . 2 . . . . 69 ARG HB2 . 26769 1 766 . 1 1 80 80 ARG HB3 H 1 1.994 0.020 . 2 . . . . 69 ARG HB3 . 26769 1 767 . 1 1 80 80 ARG HG2 H 1 1.994 0.020 . 2 . . . . 69 ARG HG2 . 26769 1 768 . 1 1 80 80 ARG HG3 H 1 1.710 0.020 . 2 . . . . 69 ARG HG3 . 26769 1 769 . 1 1 80 80 ARG HD2 H 1 3.249 0.020 . 1 . . . . 69 ARG HD2 . 26769 1 770 . 1 1 80 80 ARG HD3 H 1 3.249 0.020 . 1 . . . . 69 ARG HD3 . 26769 1 771 . 1 1 80 80 ARG C C 13 176.720 0.200 . 1 . . . . 69 ARG C . 26769 1 772 . 1 1 80 80 ARG CA C 13 57.276 0.200 . 1 . . . . 69 ARG CA . 26769 1 773 . 1 1 80 80 ARG CB C 13 29.273 0.200 . 1 . . . . 69 ARG CB . 26769 1 774 . 1 1 80 80 ARG CG C 13 28.439 0.200 . 1 . . . . 69 ARG CG . 26769 1 775 . 1 1 80 80 ARG CD C 13 43.260 0.200 . 1 . . . . 69 ARG CD . 26769 1 776 . 1 1 80 80 ARG N N 15 114.893 0.200 . 1 . . . . 69 ARG N . 26769 1 777 . 1 1 81 81 GLU H H 1 7.143 0.020 . 1 . . . . 70 GLU H . 26769 1 778 . 1 1 81 81 GLU HA H 1 4.141 0.020 . 1 . . . . 70 GLU HA . 26769 1 779 . 1 1 81 81 GLU HB2 H 1 2.032 0.020 . 2 . . . . 70 GLU HB2 . 26769 1 780 . 1 1 81 81 GLU HB3 H 1 1.941 0.020 . 2 . . . . 70 GLU HB3 . 26769 1 781 . 1 1 81 81 GLU HG2 H 1 2.279 0.020 . 2 . . . . 70 GLU HG2 . 26769 1 782 . 1 1 81 81 GLU HG3 H 1 2.592 0.020 . 2 . . . . 70 GLU HG3 . 26769 1 783 . 1 1 81 81 GLU C C 13 176.885 0.200 . 1 . . . . 70 GLU C . 26769 1 784 . 1 1 81 81 GLU CA C 13 57.289 0.200 . 1 . . . . 70 GLU CA . 26769 1 785 . 1 1 81 81 GLU CB C 13 30.006 0.200 . 1 . . . . 70 GLU CB . 26769 1 786 . 1 1 81 81 GLU CG C 13 36.291 0.200 . 1 . . . . 70 GLU CG . 26769 1 787 . 1 1 81 81 GLU N N 15 116.418 0.200 . 1 . . . . 70 GLU N . 26769 1 788 . 1 1 82 82 HIS H H 1 8.015 0.020 . 1 . . . . 71 HIS H . 26769 1 789 . 1 1 82 82 HIS HA H 1 4.791 0.020 . 1 . . . . 71 HIS HA . 26769 1 790 . 1 1 82 82 HIS HB2 H 1 3.517 0.020 . 2 . . . . 71 HIS HB2 . 26769 1 791 . 1 1 82 82 HIS HB3 H 1 3.131 0.020 . 2 . . . . 71 HIS HB3 . 26769 1 792 . 1 1 82 82 HIS HD2 H 1 6.781 0.020 . 1 . . . . 71 HIS HD2 . 26769 1 793 . 1 1 82 82 HIS HE1 H 1 8.044 0.020 . 1 . . . . 71 HIS HE1 . 26769 1 794 . 1 1 82 82 HIS C C 13 175.171 0.200 . 1 . . . . 71 HIS C . 26769 1 795 . 1 1 82 82 HIS CA C 13 54.314 0.200 . 1 . . . . 71 HIS CA . 26769 1 796 . 1 1 82 82 HIS CD2 C 13 118.248 0.200 . 1 . . . . 71 HIS CD2 . 26769 1 797 . 1 1 82 82 HIS CE1 C 13 137.973 0.200 . 1 . . . . 71 HIS CE1 . 26769 1 798 . 1 1 82 82 HIS N N 15 119.710 0.200 . 1 . . . . 71 HIS N . 26769 1 799 . 1 1 83 83 PRO HA H 1 4.329 0.020 . 1 . . . . 72 PRO HA . 26769 1 800 . 1 1 83 83 PRO HB2 H 1 2.021 0.020 . 2 . . . . 72 PRO HB2 . 26769 1 801 . 1 1 83 83 PRO HB3 H 1 2.381 0.020 . 2 . . . . 72 PRO HB3 . 26769 1 802 . 1 1 83 83 PRO HG2 H 1 2.137 0.020 . 2 . . . . 72 PRO HG2 . 26769 1 803 . 1 1 83 83 PRO HG3 H 1 2.148 0.020 . 2 . . . . 72 PRO HG3 . 26769 1 804 . 1 1 83 83 PRO HD2 H 1 3.913 0.020 . 2 . . . . 72 PRO HD2 . 26769 1 805 . 1 1 83 83 PRO HD3 H 1 4.008 0.020 . 2 . . . . 72 PRO HD3 . 26769 1 806 . 1 1 83 83 PRO C C 13 178.470 0.200 . 1 . . . . 72 PRO C . 26769 1 807 . 1 1 83 83 PRO CA C 13 65.228 0.200 . 1 . . . . 72 PRO CA . 26769 1 808 . 1 1 83 83 PRO CB C 13 31.833 0.200 . 1 . . . . 72 PRO CB . 26769 1 809 . 1 1 83 83 PRO CG C 13 27.628 0.200 . 1 . . . . 72 PRO CG . 26769 1 810 . 1 1 83 83 PRO CD C 13 51.873 0.200 . 1 . . . . 72 PRO CD . 26769 1 811 . 1 1 84 84 GLU H H 1 10.016 0.020 . 1 . . . . 73 GLU H . 26769 1 812 . 1 1 84 84 GLU HA H 1 4.151 0.020 . 1 . . . . 73 GLU HA . 26769 1 813 . 1 1 84 84 GLU HB2 H 1 2.002 0.020 . 2 . . . . 73 GLU HB2 . 26769 1 814 . 1 1 84 84 GLU HB3 H 1 2.198 0.020 . 2 . . . . 73 GLU HB3 . 26769 1 815 . 1 1 84 84 GLU HG2 H 1 2.457 0.020 . 2 . . . . 73 GLU HG2 . 26769 1 816 . 1 1 84 84 GLU HG3 H 1 2.645 0.020 . 2 . . . . 73 GLU HG3 . 26769 1 817 . 1 1 84 84 GLU C C 13 176.510 0.200 . 1 . . . . 73 GLU C . 26769 1 818 . 1 1 84 84 GLU CA C 13 59.398 0.200 . 1 . . . . 73 GLU CA . 26769 1 819 . 1 1 84 84 GLU CB C 13 29.112 0.200 . 1 . . . . 73 GLU CB . 26769 1 820 . 1 1 84 84 GLU CG C 13 37.423 0.200 . 1 . . . . 73 GLU CG . 26769 1 821 . 1 1 84 84 GLU N N 15 119.574 0.200 . 1 . . . . 73 GLU N . 26769 1 822 . 1 1 85 85 SER H H 1 7.645 0.020 . 1 . . . . 74 SER H . 26769 1 823 . 1 1 85 85 SER HA H 1 3.776 0.020 . 1 . . . . 74 SER HA . 26769 1 824 . 1 1 85 85 SER HB2 H 1 2.374 0.020 . 2 . . . . 74 SER HB2 . 26769 1 825 . 1 1 85 85 SER HB3 H 1 3.084 0.020 . 2 . . . . 74 SER HB3 . 26769 1 826 . 1 1 85 85 SER C C 13 176.114 0.200 . 1 . . . . 74 SER C . 26769 1 827 . 1 1 85 85 SER CA C 13 59.336 0.200 . 1 . . . . 74 SER CA . 26769 1 828 . 1 1 85 85 SER CB C 13 63.833 0.200 . 1 . . . . 74 SER CB . 26769 1 829 . 1 1 85 85 SER N N 15 111.886 0.200 . 1 . . . . 74 SER N . 26769 1 830 . 1 1 86 86 LYS H H 1 7.327 0.020 . 1 . . . . 75 LYS H . 26769 1 831 . 1 1 86 86 LYS HA H 1 4.028 0.020 . 1 . . . . 75 LYS HA . 26769 1 832 . 1 1 86 86 LYS HB2 H 1 1.875 0.020 . 1 . . . . 75 LYS HB2 . 26769 1 833 . 1 1 86 86 LYS HB3 H 1 1.875 0.020 . 1 . . . . 75 LYS HB3 . 26769 1 834 . 1 1 86 86 LYS HG2 H 1 1.415 0.020 . 2 . . . . 75 LYS HG2 . 26769 1 835 . 1 1 86 86 LYS HG3 H 1 1.536 0.020 . 2 . . . . 75 LYS HG3 . 26769 1 836 . 1 1 86 86 LYS HD2 H 1 1.722 0.020 . 1 . . . . 75 LYS HD2 . 26769 1 837 . 1 1 86 86 LYS HD3 H 1 1.722 0.020 . 1 . . . . 75 LYS HD3 . 26769 1 838 . 1 1 86 86 LYS HE2 H 1 2.996 0.020 . 1 . . . . 75 LYS HE2 . 26769 1 839 . 1 1 86 86 LYS HE3 H 1 2.996 0.020 . 1 . . . . 75 LYS HE3 . 26769 1 840 . 1 1 86 86 LYS C C 13 177.871 0.200 . 1 . . . . 75 LYS C . 26769 1 841 . 1 1 86 86 LYS CA C 13 58.414 0.200 . 1 . . . . 75 LYS CA . 26769 1 842 . 1 1 86 86 LYS CB C 13 31.869 0.200 . 1 . . . . 75 LYS CB . 26769 1 843 . 1 1 86 86 LYS CG C 13 25.090 0.200 . 1 . . . . 75 LYS CG . 26769 1 844 . 1 1 86 86 LYS CD C 13 29.024 0.200 . 1 . . . . 75 LYS CD . 26769 1 845 . 1 1 86 86 LYS CE C 13 42.228 0.200 . 1 . . . . 75 LYS CE . 26769 1 846 . 1 1 86 86 LYS N N 15 124.053 0.200 . 1 . . . . 75 LYS N . 26769 1 847 . 1 1 87 87 GLY HA2 H 1 3.850 0.020 . 2 . . . . 76 GLY HA2 . 26769 1 848 . 1 1 87 87 GLY HA3 H 1 4.149 0.020 . 2 . . . . 76 GLY HA3 . 26769 1 849 . 1 1 87 87 GLY C C 13 174.508 0.200 . 1 . . . . 76 GLY C . 26769 1 850 . 1 1 87 87 GLY CA C 13 45.718 0.200 . 1 . . . . 76 GLY CA . 26769 1 851 . 1 1 88 88 LYS H H 1 7.443 0.020 . 1 . . . . 77 LYS H . 26769 1 852 . 1 1 88 88 LYS HA H 1 4.903 0.020 . 1 . . . . 77 LYS HA . 26769 1 853 . 1 1 88 88 LYS HB2 H 1 2.021 0.020 . 2 . . . . 77 LYS HB2 . 26769 1 854 . 1 1 88 88 LYS HB3 H 1 1.555 0.020 . 2 . . . . 77 LYS HB3 . 26769 1 855 . 1 1 88 88 LYS HG2 H 1 1.472 0.020 . 2 . . . . 77 LYS HG2 . 26769 1 856 . 1 1 88 88 LYS HG3 H 1 1.589 0.020 . 2 . . . . 77 LYS HG3 . 26769 1 857 . 1 1 88 88 LYS HD2 H 1 1.766 0.020 . 1 . . . . 77 LYS HD2 . 26769 1 858 . 1 1 88 88 LYS HD3 H 1 1.766 0.020 . 1 . . . . 77 LYS HD3 . 26769 1 859 . 1 1 88 88 LYS HE2 H 1 3.312 0.020 . 1 . . . . 77 LYS HE2 . 26769 1 860 . 1 1 88 88 LYS HE3 H 1 3.312 0.020 . 1 . . . . 77 LYS HE3 . 26769 1 861 . 1 1 88 88 LYS C C 13 174.068 0.200 . 1 . . . . 77 LYS C . 26769 1 862 . 1 1 88 88 LYS CA C 13 52.984 0.200 . 1 . . . . 77 LYS CA . 26769 1 863 . 1 1 88 88 LYS CB C 13 31.973 0.200 . 1 . . . . 77 LYS CB . 26769 1 864 . 1 1 88 88 LYS CG C 13 24.790 0.200 . 1 . . . . 77 LYS CG . 26769 1 865 . 1 1 88 88 LYS CD C 13 28.642 0.200 . 1 . . . . 77 LYS CD . 26769 1 866 . 1 1 88 88 LYS CE C 13 42.866 0.200 . 1 . . . . 77 LYS CE . 26769 1 867 . 1 1 88 88 LYS N N 15 120.152 0.200 . 1 . . . . 77 LYS N . 26769 1 868 . 1 1 89 89 PRO HA H 1 4.582 0.020 . 1 . . . . 78 PRO HA . 26769 1 869 . 1 1 89 89 PRO HB2 H 1 2.358 0.020 . 2 . . . . 78 PRO HB2 . 26769 1 870 . 1 1 89 89 PRO HB3 H 1 1.682 0.020 . 2 . . . . 78 PRO HB3 . 26769 1 871 . 1 1 89 89 PRO HG2 H 1 2.121 0.020 . 1 . . . . 78 PRO HG2 . 26769 1 872 . 1 1 89 89 PRO HG3 H 1 2.121 0.020 . 1 . . . . 78 PRO HG3 . 26769 1 873 . 1 1 89 89 PRO HD2 H 1 4.388 0.020 . 2 . . . . 78 PRO HD2 . 26769 1 874 . 1 1 89 89 PRO HD3 H 1 4.304 0.020 . 2 . . . . 78 PRO HD3 . 26769 1 875 . 1 1 89 89 PRO C C 13 175.384 0.200 . 1 . . . . 78 PRO C . 26769 1 876 . 1 1 89 89 PRO CA C 13 63.176 0.200 . 1 . . . . 78 PRO CA . 26769 1 877 . 1 1 89 89 PRO CB C 13 33.488 0.200 . 1 . . . . 78 PRO CB . 26769 1 878 . 1 1 89 89 PRO CG C 13 27.669 0.200 . 1 . . . . 78 PRO CG . 26769 1 879 . 1 1 89 89 PRO CD C 13 50.877 0.200 . 1 . . . . 78 PRO CD . 26769 1 880 . 1 1 90 90 ILE H H 1 8.393 0.020 . 1 . . . . 79 ILE H . 26769 1 881 . 1 1 90 90 ILE HA H 1 5.169 0.020 . 1 . . . . 79 ILE HA . 26769 1 882 . 1 1 90 90 ILE HB H 1 1.668 0.020 . 1 . . . . 79 ILE HB . 26769 1 883 . 1 1 90 90 ILE HG12 H 1 1.988 0.020 . 2 . . . . 79 ILE HG12 . 26769 1 884 . 1 1 90 90 ILE HG13 H 1 0.881 0.020 . 2 . . . . 79 ILE HG13 . 26769 1 885 . 1 1 90 90 ILE HG21 H 1 0.777 0.020 . 1 . . . . 79 ILE HG21 . 26769 1 886 . 1 1 90 90 ILE HG22 H 1 0.777 0.020 . 1 . . . . 79 ILE HG22 . 26769 1 887 . 1 1 90 90 ILE HG23 H 1 0.777 0.020 . 1 . . . . 79 ILE HG23 . 26769 1 888 . 1 1 90 90 ILE HD11 H 1 0.993 0.020 . 1 . . . . 79 ILE HD11 . 26769 1 889 . 1 1 90 90 ILE HD12 H 1 0.993 0.020 . 1 . . . . 79 ILE HD12 . 26769 1 890 . 1 1 90 90 ILE HD13 H 1 0.993 0.020 . 1 . . . . 79 ILE HD13 . 26769 1 891 . 1 1 90 90 ILE C C 13 175.381 0.200 . 1 . . . . 79 ILE C . 26769 1 892 . 1 1 90 90 ILE CA C 13 59.685 0.200 . 1 . . . . 79 ILE CA . 26769 1 893 . 1 1 90 90 ILE CB C 13 42.062 0.200 . 1 . . . . 79 ILE CB . 26769 1 894 . 1 1 90 90 ILE CG1 C 13 27.563 0.200 . 1 . . . . 79 ILE CG1 . 26769 1 895 . 1 1 90 90 ILE CG2 C 13 17.797 0.200 . 1 . . . . 79 ILE CG2 . 26769 1 896 . 1 1 90 90 ILE CD1 C 13 15.002 0.200 . 1 . . . . 79 ILE CD1 . 26769 1 897 . 1 1 90 90 ILE N N 15 120.326 0.200 . 1 . . . . 79 ILE N . 26769 1 898 . 1 1 91 91 ILE H H 1 9.311 0.020 . 1 . . . . 80 ILE H . 26769 1 899 . 1 1 91 91 ILE HA H 1 4.212 0.020 . 1 . . . . 80 ILE HA . 26769 1 900 . 1 1 91 91 ILE HB H 1 1.653 0.020 . 1 . . . . 80 ILE HB . 26769 1 901 . 1 1 91 91 ILE HG12 H 1 1.410 0.020 . 2 . . . . 80 ILE HG12 . 26769 1 902 . 1 1 91 91 ILE HG13 H 1 0.762 0.020 . 2 . . . . 80 ILE HG13 . 26769 1 903 . 1 1 91 91 ILE HG21 H 1 0.484 0.020 . 1 . . . . 80 ILE HG21 . 26769 1 904 . 1 1 91 91 ILE HG22 H 1 0.484 0.020 . 1 . . . . 80 ILE HG22 . 26769 1 905 . 1 1 91 91 ILE HG23 H 1 0.484 0.020 . 1 . . . . 80 ILE HG23 . 26769 1 906 . 1 1 91 91 ILE HD11 H 1 0.616 0.020 . 1 . . . . 80 ILE HD11 . 26769 1 907 . 1 1 91 91 ILE HD12 H 1 0.616 0.020 . 1 . . . . 80 ILE HD12 . 26769 1 908 . 1 1 91 91 ILE HD13 H 1 0.616 0.020 . 1 . . . . 80 ILE HD13 . 26769 1 909 . 1 1 91 91 ILE C C 13 172.441 0.200 . 1 . . . . 80 ILE C . 26769 1 910 . 1 1 91 91 ILE CA C 13 59.760 0.200 . 1 . . . . 80 ILE CA . 26769 1 911 . 1 1 91 91 ILE CB C 13 39.855 0.200 . 1 . . . . 80 ILE CB . 26769 1 912 . 1 1 91 91 ILE CG1 C 13 28.480 0.200 . 1 . . . . 80 ILE CG1 . 26769 1 913 . 1 1 91 91 ILE CG2 C 13 17.530 0.200 . 1 . . . . 80 ILE CG2 . 26769 1 914 . 1 1 91 91 ILE CD1 C 13 14.178 0.200 . 1 . . . . 80 ILE CD1 . 26769 1 915 . 1 1 91 91 ILE N N 15 127.241 0.200 . 1 . . . . 80 ILE N . 26769 1 916 . 1 1 92 92 PHE H H 1 8.336 0.020 . 1 . . . . 81 PHE H . 26769 1 917 . 1 1 92 92 PHE HA H 1 4.947 0.020 . 1 . . . . 81 PHE HA . 26769 1 918 . 1 1 92 92 PHE HB2 H 1 2.636 0.020 . 2 . . . . 81 PHE HB2 . 26769 1 919 . 1 1 92 92 PHE HB3 H 1 3.300 0.020 . 2 . . . . 81 PHE HB3 . 26769 1 920 . 1 1 92 92 PHE C C 13 172.536 0.200 . 1 . . . . 81 PHE C . 26769 1 921 . 1 1 92 92 PHE CA C 13 56.874 0.200 . 1 . . . . 81 PHE CA . 26769 1 922 . 1 1 92 92 PHE CB C 13 43.057 0.200 . 1 . . . . 81 PHE CB . 26769 1 923 . 1 1 92 92 PHE N N 15 130.838 0.200 . 1 . . . . 81 PHE N . 26769 1 924 . 1 1 93 93 LEU H H 1 8.566 0.020 . 1 . . . . 82 LEU H . 26769 1 925 . 1 1 93 93 LEU HA H 1 4.745 0.020 . 1 . . . . 82 LEU HA . 26769 1 926 . 1 1 93 93 LEU HB2 H 1 1.006 0.020 . 2 . . . . 82 LEU HB2 . 26769 1 927 . 1 1 93 93 LEU HB3 H 1 1.856 0.020 . 2 . . . . 82 LEU HB3 . 26769 1 928 . 1 1 93 93 LEU HG H 1 1.323 0.020 . 1 . . . . 82 LEU HG . 26769 1 929 . 1 1 93 93 LEU HD11 H 1 0.724 0.020 . 2 . . . . 82 LEU HD11 . 26769 1 930 . 1 1 93 93 LEU HD12 H 1 0.724 0.020 . 2 . . . . 82 LEU HD12 . 26769 1 931 . 1 1 93 93 LEU HD13 H 1 0.724 0.020 . 2 . . . . 82 LEU HD13 . 26769 1 932 . 1 1 93 93 LEU HD21 H 1 0.336 0.020 . 2 . . . . 82 LEU HD21 . 26769 1 933 . 1 1 93 93 LEU HD22 H 1 0.336 0.020 . 2 . . . . 82 LEU HD22 . 26769 1 934 . 1 1 93 93 LEU HD23 H 1 0.336 0.020 . 2 . . . . 82 LEU HD23 . 26769 1 935 . 1 1 93 93 LEU C C 13 173.720 0.200 . 1 . . . . 82 LEU C . 26769 1 936 . 1 1 93 93 LEU CA C 13 52.001 0.200 . 1 . . . . 82 LEU CA . 26769 1 937 . 1 1 93 93 LEU CB C 13 43.058 0.200 . 1 . . . . 82 LEU CB . 26769 1 938 . 1 1 93 93 LEU CG C 13 26.335 0.200 . 1 . . . . 82 LEU CG . 26769 1 939 . 1 1 93 93 LEU CD1 C 13 25.253 0.200 . 2 . . . . 82 LEU CD1 . 26769 1 940 . 1 1 93 93 LEU CD2 C 13 23.924 0.200 . 2 . . . . 82 LEU CD2 . 26769 1 941 . 1 1 93 93 LEU N N 15 125.601 0.200 . 1 . . . . 82 LEU N . 26769 1 942 . 1 1 94 94 SER H H 1 8.101 0.020 . 1 . . . . 83 SER H . 26769 1 943 . 1 1 94 94 SER HA H 1 4.525 0.020 . 1 . . . . 83 SER HA . 26769 1 944 . 1 1 94 94 SER HB2 H 1 3.226 0.020 . 2 . . . . 83 SER HB2 . 26769 1 945 . 1 1 94 94 SER HB3 H 1 3.329 0.020 . 2 . . . . 83 SER HB3 . 26769 1 946 . 1 1 94 94 SER C C 13 175.405 0.200 . 1 . . . . 83 SER C . 26769 1 947 . 1 1 94 94 SER CA C 13 56.280 0.200 . 1 . . . . 83 SER CA . 26769 1 948 . 1 1 94 94 SER CB C 13 65.706 0.200 . 1 . . . . 83 SER CB . 26769 1 949 . 1 1 94 94 SER N N 15 113.924 0.200 . 1 . . . . 83 SER N . 26769 1 950 . 1 1 95 95 THR H H 1 8.697 0.020 . 1 . . . . 84 THR H . 26769 1 951 . 1 1 95 95 THR HA H 1 4.646 0.020 . 1 . . . . 84 THR HA . 26769 1 952 . 1 1 95 95 THR HB H 1 4.485 0.020 . 1 . . . . 84 THR HB . 26769 1 953 . 1 1 95 95 THR HG21 H 1 1.315 0.020 . 1 . . . . 84 THR HG21 . 26769 1 954 . 1 1 95 95 THR HG22 H 1 1.315 0.020 . 1 . . . . 84 THR HG22 . 26769 1 955 . 1 1 95 95 THR HG23 H 1 1.315 0.020 . 1 . . . . 84 THR HG23 . 26769 1 956 . 1 1 95 95 THR C C 13 174.267 0.200 . 1 . . . . 84 THR C . 26769 1 957 . 1 1 95 95 THR CA C 13 62.428 0.200 . 1 . . . . 84 THR CA . 26769 1 958 . 1 1 95 95 THR CB C 13 69.316 0.200 . 1 . . . . 84 THR CB . 26769 1 959 . 1 1 95 95 THR CG2 C 13 22.257 0.200 . 1 . . . . 84 THR CG2 . 26769 1 960 . 1 1 95 95 THR N N 15 114.360 0.200 . 1 . . . . 84 THR N . 26769 1 961 . 1 1 96 96 ASP H H 1 8.398 0.020 . 1 . . . . 85 ASP H . 26769 1 962 . 1 1 96 96 ASP HA H 1 4.958 0.020 . 1 . . . . 85 ASP HA . 26769 1 963 . 1 1 96 96 ASP HB2 H 1 2.727 0.020 . 2 . . . . 85 ASP HB2 . 26769 1 964 . 1 1 96 96 ASP HB3 H 1 2.902 0.020 . 2 . . . . 85 ASP HB3 . 26769 1 965 . 1 1 96 96 ASP C C 13 175.557 0.200 . 1 . . . . 85 ASP C . 26769 1 966 . 1 1 96 96 ASP CA C 13 53.823 0.200 . 1 . . . . 85 ASP CA . 26769 1 967 . 1 1 96 96 ASP CB C 13 43.905 0.200 . 1 . . . . 85 ASP CB . 26769 1 968 . 1 1 96 96 ASP N N 15 122.580 0.200 . 1 . . . . 85 ASP N . 26769 1 969 . 1 1 97 97 SER HA H 1 4.652 0.020 . 1 . . . . 86 SER HA . 26769 1 970 . 1 1 97 97 SER HB2 H 1 4.034 0.020 . 2 . . . . 86 SER HB2 . 26769 1 971 . 1 1 97 97 SER HB3 H 1 4.240 0.020 . 2 . . . . 86 SER HB3 . 26769 1 972 . 1 1 97 97 SER C C 13 174.177 0.200 . 1 . . . . 86 SER C . 26769 1 973 . 1 1 97 97 SER CA C 13 58.389 0.200 . 1 . . . . 86 SER CA . 26769 1 974 . 1 1 97 97 SER CB C 13 64.130 0.200 . 1 . . . . 86 SER CB . 26769 1 975 . 1 1 98 98 ALA H H 1 8.213 0.020 . 1 . . . . 87 ALA H . 26769 1 976 . 1 1 98 98 ALA HA H 1 4.259 0.020 . 1 . . . . 87 ALA HA . 26769 1 977 . 1 1 98 98 ALA HB1 H 1 1.569 0.020 . 1 . . . . 87 ALA HB1 . 26769 1 978 . 1 1 98 98 ALA HB2 H 1 1.569 0.020 . 1 . . . . 87 ALA HB2 . 26769 1 979 . 1 1 98 98 ALA HB3 H 1 1.569 0.020 . 1 . . . . 87 ALA HB3 . 26769 1 980 . 1 1 98 98 ALA C C 13 178.229 0.200 . 1 . . . . 87 ALA C . 26769 1 981 . 1 1 98 98 ALA CA C 13 53.242 0.200 . 1 . . . . 87 ALA CA . 26769 1 982 . 1 1 98 98 ALA CB C 13 19.482 0.200 . 1 . . . . 87 ALA CB . 26769 1 983 . 1 1 98 98 ALA N N 15 125.289 0.200 . 1 . . . . 87 ALA N . 26769 1 984 . 1 1 99 99 ASP HA H 1 4.298 0.020 . 1 . . . . 88 ASP HA . 26769 1 985 . 1 1 99 99 ASP HB2 H 1 2.648 0.020 . 1 . . . . 88 ASP HB2 . 26769 1 986 . 1 1 99 99 ASP HB3 H 1 2.648 0.020 . 1 . . . . 88 ASP HB3 . 26769 1 987 . 1 1 99 99 ASP CA C 13 57.171 0.200 . 1 . . . . 88 ASP CA . 26769 1 988 . 1 1 99 99 ASP CB C 13 40.766 0.200 . 1 . . . . 88 ASP CB . 26769 1 989 . 1 1 100 100 THR HA H 1 3.983 0.020 . 1 . . . . 89 THR HA . 26769 1 990 . 1 1 100 100 THR HB H 1 4.158 0.020 . 1 . . . . 89 THR HB . 26769 1 991 . 1 1 100 100 THR HG21 H 1 1.269 0.020 . 1 . . . . 89 THR HG21 . 26769 1 992 . 1 1 100 100 THR HG22 H 1 1.269 0.020 . 1 . . . . 89 THR HG22 . 26769 1 993 . 1 1 100 100 THR HG23 H 1 1.269 0.020 . 1 . . . . 89 THR HG23 . 26769 1 994 . 1 1 100 100 THR C C 13 176.463 0.200 . 1 . . . . 89 THR C . 26769 1 995 . 1 1 100 100 THR CA C 13 64.951 0.200 . 1 . . . . 89 THR CA . 26769 1 996 . 1 1 100 100 THR CB C 13 68.264 0.200 . 1 . . . . 89 THR CB . 26769 1 997 . 1 1 100 100 THR CG2 C 13 22.072 0.200 . 1 . . . . 89 THR CG2 . 26769 1 998 . 1 1 101 101 LEU H H 1 7.239 0.020 . 1 . . . . 90 LEU H . 26769 1 999 . 1 1 101 101 LEU HA H 1 4.331 0.020 . 1 . . . . 90 LEU HA . 26769 1 1000 . 1 1 101 101 LEU HB2 H 1 1.821 0.020 . 2 . . . . 90 LEU HB2 . 26769 1 1001 . 1 1 101 101 LEU HB3 H 1 2.033 0.020 . 2 . . . . 90 LEU HB3 . 26769 1 1002 . 1 1 101 101 LEU HG H 1 1.886 0.020 . 1 . . . . 90 LEU HG . 26769 1 1003 . 1 1 101 101 LEU HD11 H 1 1.263 0.020 . 2 . . . . 90 LEU HD11 . 26769 1 1004 . 1 1 101 101 LEU HD12 H 1 1.263 0.020 . 2 . . . . 90 LEU HD12 . 26769 1 1005 . 1 1 101 101 LEU HD13 H 1 1.263 0.020 . 2 . . . . 90 LEU HD13 . 26769 1 1006 . 1 1 101 101 LEU HD21 H 1 1.163 0.020 . 2 . . . . 90 LEU HD21 . 26769 1 1007 . 1 1 101 101 LEU HD22 H 1 1.163 0.020 . 2 . . . . 90 LEU HD22 . 26769 1 1008 . 1 1 101 101 LEU HD23 H 1 1.163 0.020 . 2 . . . . 90 LEU HD23 . 26769 1 1009 . 1 1 101 101 LEU C C 13 177.504 0.200 . 1 . . . . 90 LEU C . 26769 1 1010 . 1 1 101 101 LEU CA C 13 56.888 0.200 . 1 . . . . 90 LEU CA . 26769 1 1011 . 1 1 101 101 LEU CB C 13 41.707 0.200 . 1 . . . . 90 LEU CB . 26769 1 1012 . 1 1 101 101 LEU CG C 13 27.667 0.200 . 1 . . . . 90 LEU CG . 26769 1 1013 . 1 1 101 101 LEU CD1 C 13 26.043 0.200 . 2 . . . . 90 LEU CD1 . 26769 1 1014 . 1 1 101 101 LEU CD2 C 13 23.874 0.200 . 2 . . . . 90 LEU CD2 . 26769 1 1015 . 1 1 101 101 LEU N N 15 123.859 0.200 . 1 . . . . 90 LEU N . 26769 1 1016 . 1 1 102 102 LYS H H 1 7.380 0.020 . 1 . . . . 91 LYS H . 26769 1 1017 . 1 1 102 102 LYS HA H 1 2.928 0.020 . 1 . . . . 91 LYS HA . 26769 1 1018 . 1 1 102 102 LYS HB2 H 1 0.743 0.020 . 2 . . . . 91 LYS HB2 . 26769 1 1019 . 1 1 102 102 LYS HB3 H 1 1.335 0.020 . 2 . . . . 91 LYS HB3 . 26769 1 1020 . 1 1 102 102 LYS HG2 H 1 0.122 0.020 . 2 . . . . 91 LYS HG2 . 26769 1 1021 . 1 1 102 102 LYS HG3 H 1 0.300 0.020 . 2 . . . . 91 LYS HG3 . 26769 1 1022 . 1 1 102 102 LYS HD2 H 1 1.021 0.020 . 2 . . . . 91 LYS HD2 . 26769 1 1023 . 1 1 102 102 LYS HD3 H 1 1.114 0.020 . 2 . . . . 91 LYS HD3 . 26769 1 1024 . 1 1 102 102 LYS HE2 H 1 2.405 0.020 . 2 . . . . 91 LYS HE2 . 26769 1 1025 . 1 1 102 102 LYS HE3 H 1 2.433 0.020 . 2 . . . . 91 LYS HE3 . 26769 1 1026 . 1 1 102 102 LYS C C 13 179.028 0.200 . 1 . . . . 91 LYS C . 26769 1 1027 . 1 1 102 102 LYS CA C 13 59.733 0.200 . 1 . . . . 91 LYS CA . 26769 1 1028 . 1 1 102 102 LYS CB C 13 32.057 0.200 . 1 . . . . 91 LYS CB . 26769 1 1029 . 1 1 102 102 LYS CG C 13 24.255 0.200 . 1 . . . . 91 LYS CG . 26769 1 1030 . 1 1 102 102 LYS CD C 13 29.436 0.200 . 1 . . . . 91 LYS CD . 26769 1 1031 . 1 1 102 102 LYS CE C 13 41.739 0.200 . 1 . . . . 91 LYS CE . 26769 1 1032 . 1 1 102 102 LYS N N 15 120.948 0.200 . 1 . . . . 91 LYS N . 26769 1 1033 . 1 1 103 103 GLN H H 1 7.842 0.020 . 1 . . . . 92 GLN H . 26769 1 1034 . 1 1 103 103 GLN HA H 1 3.901 0.020 . 1 . . . . 92 GLN HA . 26769 1 1035 . 1 1 103 103 GLN HB2 H 1 2.073 0.020 . 2 . . . . 92 GLN HB2 . 26769 1 1036 . 1 1 103 103 GLN HB3 H 1 2.066 0.020 . 2 . . . . 92 GLN HB3 . 26769 1 1037 . 1 1 103 103 GLN HG2 H 1 2.353 0.020 . 1 . . . . 92 GLN HG2 . 26769 1 1038 . 1 1 103 103 GLN HG3 H 1 2.353 0.020 . 1 . . . . 92 GLN HG3 . 26769 1 1039 . 1 1 103 103 GLN HE21 H 1 7.671 0.020 . 1 . . . . 92 GLN HE21 . 26769 1 1040 . 1 1 103 103 GLN HE22 H 1 6.733 0.020 . 1 . . . . 92 GLN HE22 . 26769 1 1041 . 1 1 103 103 GLN C C 13 178.265 0.200 . 1 . . . . 92 GLN C . 26769 1 1042 . 1 1 103 103 GLN CA C 13 58.534 0.200 . 1 . . . . 92 GLN CA . 26769 1 1043 . 1 1 103 103 GLN CB C 13 27.606 0.200 . 1 . . . . 92 GLN CB . 26769 1 1044 . 1 1 103 103 GLN CG C 13 33.004 0.200 . 1 . . . . 92 GLN CG . 26769 1 1045 . 1 1 103 103 GLN N N 15 117.492 0.200 . 1 . . . . 92 GLN N . 26769 1 1046 . 1 1 103 103 GLN NE2 N 15 112.258 0.200 . 1 . . . . 92 GLN NE2 . 26769 1 1047 . 1 1 104 104 GLN H H 1 7.885 0.020 . 1 . . . . 93 GLN H . 26769 1 1048 . 1 1 104 104 GLN HA H 1 3.973 0.020 . 1 . . . . 93 GLN HA . 26769 1 1049 . 1 1 104 104 GLN HB2 H 1 1.972 0.020 . 2 . . . . 93 GLN HB2 . 26769 1 1050 . 1 1 104 104 GLN HB3 H 1 2.239 0.020 . 2 . . . . 93 GLN HB3 . 26769 1 1051 . 1 1 104 104 GLN HG2 H 1 2.309 0.020 . 2 . . . . 93 GLN HG2 . 26769 1 1052 . 1 1 104 104 GLN HG3 H 1 2.602 0.020 . 2 . . . . 93 GLN HG3 . 26769 1 1053 . 1 1 104 104 GLN HE21 H 1 6.723 0.020 . 1 . . . . 93 GLN HE21 . 26769 1 1054 . 1 1 104 104 GLN HE22 H 1 7.229 0.020 . 1 . . . . 93 GLN HE22 . 26769 1 1055 . 1 1 104 104 GLN C C 13 179.170 0.200 . 1 . . . . 93 GLN C . 26769 1 1056 . 1 1 104 104 GLN CA C 13 59.172 0.200 . 1 . . . . 93 GLN CA . 26769 1 1057 . 1 1 104 104 GLN CB C 13 29.066 0.200 . 1 . . . . 93 GLN CB . 26769 1 1058 . 1 1 104 104 GLN CG C 13 34.600 0.200 . 1 . . . . 93 GLN CG . 26769 1 1059 . 1 1 104 104 GLN N N 15 119.384 0.200 . 1 . . . . 93 GLN N . 26769 1 1060 . 1 1 104 104 GLN NE2 N 15 110.499 0.200 . 1 . . . . 93 GLN NE2 . 26769 1 1061 . 1 1 105 105 ALA H H 1 8.588 0.020 . 1 . . . . 94 ALA H . 26769 1 1062 . 1 1 105 105 ALA HA H 1 3.633 0.020 . 1 . . . . 94 ALA HA . 26769 1 1063 . 1 1 105 105 ALA HB1 H 1 0.965 0.020 . 1 . . . . 94 ALA HB1 . 26769 1 1064 . 1 1 105 105 ALA HB2 H 1 0.965 0.020 . 1 . . . . 94 ALA HB2 . 26769 1 1065 . 1 1 105 105 ALA HB3 H 1 0.965 0.020 . 1 . . . . 94 ALA HB3 . 26769 1 1066 . 1 1 105 105 ALA C C 13 178.888 0.200 . 1 . . . . 94 ALA C . 26769 1 1067 . 1 1 105 105 ALA CA C 13 55.355 0.200 . 1 . . . . 94 ALA CA . 26769 1 1068 . 1 1 105 105 ALA CB C 13 16.727 0.200 . 1 . . . . 94 ALA CB . 26769 1 1069 . 1 1 105 105 ALA N N 15 122.259 0.200 . 1 . . . . 94 ALA N . 26769 1 1070 . 1 1 106 106 ARG H H 1 7.789 0.020 . 1 . . . . 95 ARG H . 26769 1 1071 . 1 1 106 106 ARG HA H 1 4.296 0.020 . 1 . . . . 95 ARG HA . 26769 1 1072 . 1 1 106 106 ARG HB2 H 1 1.898 0.020 . 2 . . . . 95 ARG HB2 . 26769 1 1073 . 1 1 106 106 ARG HB3 H 1 1.898 0.020 . 2 . . . . 95 ARG HB3 . 26769 1 1074 . 1 1 106 106 ARG HG2 H 1 1.712 0.020 . 2 . . . . 95 ARG HG2 . 26769 1 1075 . 1 1 106 106 ARG HG3 H 1 1.591 0.020 . 2 . . . . 95 ARG HG3 . 26769 1 1076 . 1 1 106 106 ARG HD2 H 1 3.200 0.020 . 1 . . . . 95 ARG HD2 . 26769 1 1077 . 1 1 106 106 ARG HD3 H 1 3.200 0.020 . 1 . . . . 95 ARG HD3 . 26769 1 1078 . 1 1 106 106 ARG C C 13 180.862 0.200 . 1 . . . . 95 ARG C . 26769 1 1079 . 1 1 106 106 ARG CA C 13 59.064 0.200 . 1 . . . . 95 ARG CA . 26769 1 1080 . 1 1 106 106 ARG CB C 13 29.746 0.200 . 1 . . . . 95 ARG CB . 26769 1 1081 . 1 1 106 106 ARG CG C 13 27.021 0.200 . 1 . . . . 95 ARG CG . 26769 1 1082 . 1 1 106 106 ARG CD C 13 43.415 0.200 . 1 . . . . 95 ARG CD . 26769 1 1083 . 1 1 106 106 ARG N N 15 119.001 0.200 . 1 . . . . 95 ARG N . 26769 1 1084 . 1 1 107 107 GLU H H 1 8.460 0.020 . 1 . . . . 96 GLU H . 26769 1 1085 . 1 1 107 107 GLU HA H 1 3.941 0.020 . 1 . . . . 96 GLU HA . 26769 1 1086 . 1 1 107 107 GLU HB2 H 1 2.049 0.020 . 2 . . . . 96 GLU HB2 . 26769 1 1087 . 1 1 107 107 GLU HB3 H 1 2.055 0.020 . 2 . . . . 96 GLU HB3 . 26769 1 1088 . 1 1 107 107 GLU C C 13 178.101 0.200 . 1 . . . . 96 GLU C . 26769 1 1089 . 1 1 107 107 GLU CA C 13 59.070 0.200 . 1 . . . . 96 GLU CA . 26769 1 1090 . 1 1 107 107 GLU CB C 13 29.291 0.200 . 1 . . . . 96 GLU CB . 26769 1 1091 . 1 1 107 107 GLU N N 15 120.881 0.200 . 1 . . . . 96 GLU N . 26769 1 1092 . 1 1 108 108 ALA H H 1 7.747 0.020 . 1 . . . . 97 ALA H . 26769 1 1093 . 1 1 108 108 ALA HA H 1 4.209 0.020 . 1 . . . . 97 ALA HA . 26769 1 1094 . 1 1 108 108 ALA HB1 H 1 1.412 0.020 . 1 . . . . 97 ALA HB1 . 26769 1 1095 . 1 1 108 108 ALA HB2 H 1 1.412 0.020 . 1 . . . . 97 ALA HB2 . 26769 1 1096 . 1 1 108 108 ALA HB3 H 1 1.412 0.020 . 1 . . . . 97 ALA HB3 . 26769 1 1097 . 1 1 108 108 ALA C C 13 176.734 0.200 . 1 . . . . 97 ALA C . 26769 1 1098 . 1 1 108 108 ALA CA C 13 53.101 0.200 . 1 . . . . 97 ALA CA . 26769 1 1099 . 1 1 108 108 ALA CB C 13 18.719 0.200 . 1 . . . . 97 ALA CB . 26769 1 1100 . 1 1 108 108 ALA N N 15 119.287 0.200 . 1 . . . . 97 ALA N . 26769 1 1101 . 1 1 109 109 GLY H H 1 7.390 0.020 . 1 . . . . 98 GLY H . 26769 1 1102 . 1 1 109 109 GLY HA2 H 1 4.342 0.020 . 2 . . . . 98 GLY HA2 . 26769 1 1103 . 1 1 109 109 GLY HA3 H 1 3.646 0.020 . 2 . . . . 98 GLY HA3 . 26769 1 1104 . 1 1 109 109 GLY C C 13 174.062 0.200 . 1 . . . . 98 GLY C . 26769 1 1105 . 1 1 109 109 GLY CA C 13 44.654 0.200 . 1 . . . . 98 GLY CA . 26769 1 1106 . 1 1 109 109 GLY N N 15 100.861 0.200 . 1 . . . . 98 GLY N . 26769 1 1107 . 1 1 110 110 ALA H H 1 8.395 0.020 . 1 . . . . 99 ALA H . 26769 1 1108 . 1 1 110 110 ALA HA H 1 4.587 0.020 . 1 . . . . 99 ALA HA . 26769 1 1109 . 1 1 110 110 ALA HB1 H 1 1.347 0.020 . 1 . . . . 99 ALA HB1 . 26769 1 1110 . 1 1 110 110 ALA HB2 H 1 1.347 0.020 . 1 . . . . 99 ALA HB2 . 26769 1 1111 . 1 1 110 110 ALA HB3 H 1 1.347 0.020 . 1 . . . . 99 ALA HB3 . 26769 1 1112 . 1 1 110 110 ALA C C 13 176.214 0.200 . 1 . . . . 99 ALA C . 26769 1 1113 . 1 1 110 110 ALA CA C 13 52.412 0.200 . 1 . . . . 99 ALA CA . 26769 1 1114 . 1 1 110 110 ALA CB C 13 19.245 0.200 . 1 . . . . 99 ALA CB . 26769 1 1115 . 1 1 110 110 ALA N N 15 123.428 0.200 . 1 . . . . 99 ALA N . 26769 1 1116 . 1 1 111 111 MET H H 1 8.914 0.020 . 1 . . . . 100 MET H . 26769 1 1117 . 1 1 111 111 MET HA H 1 4.675 0.020 . 1 . . . . 100 MET HA . 26769 1 1118 . 1 1 111 111 MET HB2 H 1 2.162 0.020 . 2 . . . . 100 MET HB2 . 26769 1 1119 . 1 1 111 111 MET HB3 H 1 2.091 0.020 . 2 . . . . 100 MET HB3 . 26769 1 1120 . 1 1 111 111 MET HG2 H 1 2.677 0.020 . 2 . . . . 100 MET HG2 . 26769 1 1121 . 1 1 111 111 MET HG3 H 1 2.821 0.020 . 2 . . . . 100 MET HG3 . 26769 1 1122 . 1 1 111 111 MET C C 13 176.844 0.200 . 1 . . . . 100 MET C . 26769 1 1123 . 1 1 111 111 MET CA C 13 55.813 0.200 . 1 . . . . 100 MET CA . 26769 1 1124 . 1 1 111 111 MET CB C 13 33.960 0.200 . 1 . . . . 100 MET CB . 26769 1 1125 . 1 1 111 111 MET CG C 13 32.447 0.200 . 1 . . . . 100 MET CG . 26769 1 1126 . 1 1 111 111 MET N N 15 122.617 0.200 . 1 . . . . 100 MET N . 26769 1 1127 . 1 1 112 112 GLY H H 1 8.362 0.020 . 1 . . . . 101 GLY H . 26769 1 1128 . 1 1 112 112 GLY HA2 H 1 3.376 0.020 . 2 . . . . 101 GLY HA2 . 26769 1 1129 . 1 1 112 112 GLY HA3 H 1 4.649 0.020 . 2 . . . . 101 GLY HA3 . 26769 1 1130 . 1 1 112 112 GLY C C 13 171.984 0.200 . 1 . . . . 101 GLY C . 26769 1 1131 . 1 1 112 112 GLY CA C 13 44.523 0.200 . 1 . . . . 101 GLY CA . 26769 1 1132 . 1 1 112 112 GLY N N 15 105.397 0.200 . 1 . . . . 101 GLY N . 26769 1 1133 . 1 1 113 113 TRP HA H 1 5.619 0.020 . 1 . . . . 102 TRP HA . 26769 1 1134 . 1 1 113 113 TRP HB2 H 1 3.101 0.020 . 2 . . . . 102 TRP HB2 . 26769 1 1135 . 1 1 113 113 TRP HB3 H 1 3.291 0.020 . 2 . . . . 102 TRP HB3 . 26769 1 1136 . 1 1 113 113 TRP HD1 H 1 7.034 0.020 . 1 . . . . 102 TRP HD1 . 26769 1 1137 . 1 1 113 113 TRP HE1 H 1 10.070 0.020 . 1 . . . . 102 TRP HE1 . 26769 1 1138 . 1 1 113 113 TRP HE3 H 1 7.547 0.020 . 1 . . . . 102 TRP HE3 . 26769 1 1139 . 1 1 113 113 TRP HZ2 H 1 7.427 0.020 . 1 . . . . 102 TRP HZ2 . 26769 1 1140 . 1 1 113 113 TRP HZ3 H 1 6.818 0.020 . 1 . . . . 102 TRP HZ3 . 26769 1 1141 . 1 1 113 113 TRP HH2 H 1 7.202 0.020 . 1 . . . . 102 TRP HH2 . 26769 1 1142 . 1 1 113 113 TRP C C 13 173.783 0.200 . 1 . . . . 102 TRP C . 26769 1 1143 . 1 1 113 113 TRP CA C 13 56.782 0.200 . 1 . . . . 102 TRP CA . 26769 1 1144 . 1 1 113 113 TRP CB C 13 32.373 0.200 . 1 . . . . 102 TRP CB . 26769 1 1145 . 1 1 113 113 TRP CD1 C 13 126.850 0.200 . 1 . . . . 102 TRP CD1 . 26769 1 1146 . 1 1 113 113 TRP CE3 C 13 120.335 0.200 . 1 . . . . 102 TRP CE3 . 26769 1 1147 . 1 1 113 113 TRP CZ2 C 13 114.603 0.200 . 1 . . . . 102 TRP CZ2 . 26769 1 1148 . 1 1 113 113 TRP CZ3 C 13 122.101 0.200 . 1 . . . . 102 TRP CZ3 . 26769 1 1149 . 1 1 113 113 TRP CH2 C 13 124.072 0.200 . 1 . . . . 102 TRP CH2 . 26769 1 1150 . 1 1 113 113 TRP NE1 N 15 129.587 0.200 . 1 . . . . 102 TRP NE1 . 26769 1 1151 . 1 1 114 114 MET H H 1 8.277 0.020 . 1 . . . . 103 MET H . 26769 1 1152 . 1 1 114 114 MET HA H 1 4.357 0.020 . 1 . . . . 103 MET HA . 26769 1 1153 . 1 1 114 114 MET HB2 H 1 1.687 0.020 . 2 . . . . 103 MET HB2 . 26769 1 1154 . 1 1 114 114 MET HB3 H 1 1.449 0.020 . 2 . . . . 103 MET HB3 . 26769 1 1155 . 1 1 114 114 MET HG2 H 1 1.910 0.020 . 2 . . . . 103 MET HG2 . 26769 1 1156 . 1 1 114 114 MET HG3 H 1 2.133 0.020 . 2 . . . . 103 MET HG3 . 26769 1 1157 . 1 1 114 114 MET C C 13 172.523 0.200 . 1 . . . . 103 MET C . 26769 1 1158 . 1 1 114 114 MET CA C 13 54.661 0.200 . 1 . . . . 103 MET CA . 26769 1 1159 . 1 1 114 114 MET CB C 13 37.543 0.200 . 1 . . . . 103 MET CB . 26769 1 1160 . 1 1 114 114 MET CG C 13 31.527 0.200 . 1 . . . . 103 MET CG . 26769 1 1161 . 1 1 114 114 MET N N 15 124.330 0.200 . 1 . . . . 103 MET N . 26769 1 1162 . 1 1 115 115 VAL H H 1 8.106 0.020 . 1 . . . . 104 VAL H . 26769 1 1163 . 1 1 115 115 VAL HA H 1 4.399 0.020 . 1 . . . . 104 VAL HA . 26769 1 1164 . 1 1 115 115 VAL HB H 1 1.850 0.020 . 1 . . . . 104 VAL HB . 26769 1 1165 . 1 1 115 115 VAL HG11 H 1 0.881 0.020 . 2 . . . . 104 VAL HG11 . 26769 1 1166 . 1 1 115 115 VAL HG12 H 1 0.881 0.020 . 2 . . . . 104 VAL HG12 . 26769 1 1167 . 1 1 115 115 VAL HG13 H 1 0.881 0.020 . 2 . . . . 104 VAL HG13 . 26769 1 1168 . 1 1 115 115 VAL HG21 H 1 0.874 0.020 . 2 . . . . 104 VAL HG21 . 26769 1 1169 . 1 1 115 115 VAL HG22 H 1 0.874 0.020 . 2 . . . . 104 VAL HG22 . 26769 1 1170 . 1 1 115 115 VAL HG23 H 1 0.874 0.020 . 2 . . . . 104 VAL HG23 . 26769 1 1171 . 1 1 115 115 VAL C C 13 175.785 0.200 . 1 . . . . 104 VAL C . 26769 1 1172 . 1 1 115 115 VAL CA C 13 60.480 0.200 . 1 . . . . 104 VAL CA . 26769 1 1173 . 1 1 115 115 VAL CB C 13 33.222 0.200 . 1 . . . . 104 VAL CB . 26769 1 1174 . 1 1 115 115 VAL CG1 C 13 21.325 0.200 . 2 . . . . 104 VAL CG1 . 26769 1 1175 . 1 1 115 115 VAL CG2 C 13 21.283 0.200 . 2 . . . . 104 VAL CG2 . 26769 1 1176 . 1 1 115 115 VAL N N 15 121.275 0.200 . 1 . . . . 104 VAL N . 26769 1 1177 . 1 1 116 116 LYS H H 1 8.490 0.020 . 1 . . . . 105 LYS H . 26769 1 1178 . 1 1 116 116 LYS C C 13 174.927 0.200 . 1 . . . . 105 LYS C . 26769 1 1179 . 1 1 116 116 LYS CA C 13 54.912 0.200 . 1 . . . . 105 LYS CA . 26769 1 1180 . 1 1 116 116 LYS CB C 13 33.587 0.200 . 1 . . . . 105 LYS CB . 26769 1 1181 . 1 1 116 116 LYS N N 15 123.833 0.200 . 1 . . . . 105 LYS N . 26769 1 1182 . 1 1 117 117 PRO HA H 1 4.510 0.020 . 1 . . . . 106 PRO HA . 26769 1 1183 . 1 1 117 117 PRO HB2 H 1 2.243 0.020 . 2 . . . . 106 PRO HB2 . 26769 1 1184 . 1 1 117 117 PRO HB3 H 1 1.968 0.020 . 2 . . . . 106 PRO HB3 . 26769 1 1185 . 1 1 117 117 PRO HG2 H 1 1.950 0.020 . 2 . . . . 106 PRO HG2 . 26769 1 1186 . 1 1 117 117 PRO HG3 H 1 1.946 0.020 . 2 . . . . 106 PRO HG3 . 26769 1 1187 . 1 1 117 117 PRO HD2 H 1 3.472 0.020 . 2 . . . . 106 PRO HD2 . 26769 1 1188 . 1 1 117 117 PRO HD3 H 1 3.656 0.020 . 2 . . . . 106 PRO HD3 . 26769 1 1189 . 1 1 117 117 PRO C C 13 174.625 0.200 . 1 . . . . 106 PRO C . 26769 1 1190 . 1 1 117 117 PRO CA C 13 62.272 0.200 . 1 . . . . 106 PRO CA . 26769 1 1191 . 1 1 117 117 PRO CB C 13 34.552 0.200 . 1 . . . . 106 PRO CB . 26769 1 1192 . 1 1 117 117 PRO CG C 13 24.622 0.200 . 1 . . . . 106 PRO CG . 26769 1 1193 . 1 1 117 117 PRO CD C 13 50.335 0.200 . 1 . . . . 106 PRO CD . 26769 1 1194 . 1 1 118 118 PHE H H 1 7.538 0.020 . 1 . . . . 107 PHE H . 26769 1 1195 . 1 1 118 118 PHE HA H 1 5.488 0.020 . 1 . . . . 107 PHE HA . 26769 1 1196 . 1 1 118 118 PHE HB2 H 1 3.144 0.020 . 2 . . . . 107 PHE HB2 . 26769 1 1197 . 1 1 118 118 PHE HB3 H 1 3.328 0.020 . 2 . . . . 107 PHE HB3 . 26769 1 1198 . 1 1 118 118 PHE HD1 H 1 7.029 0.020 . 3 . . . . 107 PHE HD1 . 26769 1 1199 . 1 1 118 118 PHE HD2 H 1 7.029 0.020 . 3 . . . . 107 PHE HD2 . 26769 1 1200 . 1 1 118 118 PHE C C 13 174.640 0.200 . 1 . . . . 107 PHE C . 26769 1 1201 . 1 1 118 118 PHE CA C 13 54.189 0.200 . 1 . . . . 107 PHE CA . 26769 1 1202 . 1 1 118 118 PHE CB C 13 42.244 0.200 . 1 . . . . 107 PHE CB . 26769 1 1203 . 1 1 118 118 PHE N N 15 116.446 0.200 . 1 . . . . 107 PHE N . 26769 1 1204 . 1 1 119 119 THR H H 1 8.463 0.020 . 1 . . . . 108 THR H . 26769 1 1205 . 1 1 119 119 THR HA H 1 4.690 0.020 . 1 . . . . 108 THR HA . 26769 1 1206 . 1 1 119 119 THR HB H 1 4.643 0.020 . 1 . . . . 108 THR HB . 26769 1 1207 . 1 1 119 119 THR HG21 H 1 1.250 0.020 . 1 . . . . 108 THR HG21 . 26769 1 1208 . 1 1 119 119 THR HG22 H 1 1.250 0.020 . 1 . . . . 108 THR HG22 . 26769 1 1209 . 1 1 119 119 THR HG23 H 1 1.250 0.020 . 1 . . . . 108 THR HG23 . 26769 1 1210 . 1 1 119 119 THR C C 13 175.524 0.200 . 1 . . . . 108 THR C . 26769 1 1211 . 1 1 119 119 THR CA C 13 59.570 0.200 . 1 . . . . 108 THR CA . 26769 1 1212 . 1 1 119 119 THR CB C 13 71.538 0.200 . 1 . . . . 108 THR CB . 26769 1 1213 . 1 1 119 119 THR CG2 C 13 21.554 0.200 . 1 . . . . 108 THR CG2 . 26769 1 1214 . 1 1 119 119 THR N N 15 110.087 0.200 . 1 . . . . 108 THR N . 26769 1 1215 . 1 1 120 120 GLN H H 1 9.333 0.020 . 1 . . . . 109 GLN H . 26769 1 1216 . 1 1 120 120 GLN HA H 1 4.188 0.020 . 1 . . . . 109 GLN HA . 26769 1 1217 . 1 1 120 120 GLN HB2 H 1 2.277 0.020 . 2 . . . . 109 GLN HB2 . 26769 1 1218 . 1 1 120 120 GLN HB3 H 1 2.277 0.020 . 2 . . . . 109 GLN HB3 . 26769 1 1219 . 1 1 120 120 GLN HG2 H 1 2.596 0.020 . 2 . . . . 109 GLN HG2 . 26769 1 1220 . 1 1 120 120 GLN HG3 H 1 2.596 0.020 . 2 . . . . 109 GLN HG3 . 26769 1 1221 . 1 1 120 120 GLN HE21 H 1 7.587 0.020 . 1 . . . . 109 GLN HE21 . 26769 1 1222 . 1 1 120 120 GLN HE22 H 1 7.033 0.020 . 1 . . . . 109 GLN HE22 . 26769 1 1223 . 1 1 120 120 GLN C C 13 175.170 0.200 . 1 . . . . 109 GLN C . 26769 1 1224 . 1 1 120 120 GLN CA C 13 61.883 0.200 . 1 . . . . 109 GLN CA . 26769 1 1225 . 1 1 120 120 GLN CB C 13 26.279 0.200 . 1 . . . . 109 GLN CB . 26769 1 1226 . 1 1 120 120 GLN CG C 13 34.644 0.200 . 1 . . . . 109 GLN CG . 26769 1 1227 . 1 1 120 120 GLN N N 15 119.796 0.200 . 1 . . . . 109 GLN N . 26769 1 1228 . 1 1 120 120 GLN NE2 N 15 112.703 0.200 . 1 . . . . 109 GLN NE2 . 26769 1 1229 . 1 1 121 121 PRO HA H 1 4.298 0.020 . 1 . . . . 110 PRO HA . 26769 1 1230 . 1 1 121 121 PRO HB2 H 1 1.840 0.020 . 2 . . . . 110 PRO HB2 . 26769 1 1231 . 1 1 121 121 PRO HB3 H 1 2.383 0.020 . 2 . . . . 110 PRO HB3 . 26769 1 1232 . 1 1 121 121 PRO HG2 H 1 2.051 0.020 . 2 . . . . 110 PRO HG2 . 26769 1 1233 . 1 1 121 121 PRO HG3 H 1 2.162 0.020 . 2 . . . . 110 PRO HG3 . 26769 1 1234 . 1 1 121 121 PRO HD2 H 1 4.000 0.020 . 2 . . . . 110 PRO HD2 . 26769 1 1235 . 1 1 121 121 PRO HD3 H 1 3.906 0.020 . 2 . . . . 110 PRO HD3 . 26769 1 1236 . 1 1 121 121 PRO C C 13 180.263 0.200 . 1 . . . . 110 PRO C . 26769 1 1237 . 1 1 121 121 PRO CA C 13 66.081 0.200 . 1 . . . . 110 PRO CA . 26769 1 1238 . 1 1 121 121 PRO CB C 13 31.177 0.200 . 1 . . . . 110 PRO CB . 26769 1 1239 . 1 1 121 121 PRO CG C 13 28.226 0.200 . 1 . . . . 110 PRO CG . 26769 1 1240 . 1 1 121 121 PRO CD C 13 49.907 0.200 . 1 . . . . 110 PRO CD . 26769 1 1241 . 1 1 122 122 GLN H H 1 7.245 0.020 . 1 . . . . 111 GLN H . 26769 1 1242 . 1 1 122 122 GLN HA H 1 4.103 0.020 . 1 . . . . 111 GLN HA . 26769 1 1243 . 1 1 122 122 GLN HB2 H 1 2.523 0.020 . 2 . . . . 111 GLN HB2 . 26769 1 1244 . 1 1 122 122 GLN HB3 H 1 2.030 0.020 . 2 . . . . 111 GLN HB3 . 26769 1 1245 . 1 1 122 122 GLN HG2 H 1 2.498 0.020 . 1 . . . . 111 GLN HG2 . 26769 1 1246 . 1 1 122 122 GLN HG3 H 1 2.498 0.020 . 1 . . . . 111 GLN HG3 . 26769 1 1247 . 1 1 122 122 GLN HE21 H 1 7.055 0.020 . 1 . . . . 111 GLN HE21 . 26769 1 1248 . 1 1 122 122 GLN HE22 H 1 7.515 0.020 . 1 . . . . 111 GLN HE22 . 26769 1 1249 . 1 1 122 122 GLN C C 13 178.591 0.200 . 1 . . . . 111 GLN C . 26769 1 1250 . 1 1 122 122 GLN CA C 13 58.874 0.200 . 1 . . . . 111 GLN CA . 26769 1 1251 . 1 1 122 122 GLN CB C 13 28.809 0.200 . 1 . . . . 111 GLN CB . 26769 1 1252 . 1 1 122 122 GLN CG C 13 34.352 0.200 . 1 . . . . 111 GLN CG . 26769 1 1253 . 1 1 122 122 GLN N N 15 116.685 0.200 . 1 . . . . 111 GLN N . 26769 1 1254 . 1 1 122 122 GLN NE2 N 15 110.784 0.200 . 1 . . . . 111 GLN NE2 . 26769 1 1255 . 1 1 123 123 LEU H H 1 7.930 0.020 . 1 . . . . 112 LEU H . 26769 1 1256 . 1 1 123 123 LEU HA H 1 3.924 0.020 . 1 . . . . 112 LEU HA . 26769 1 1257 . 1 1 123 123 LEU HB2 H 1 1.424 0.020 . 2 . . . . 112 LEU HB2 . 26769 1 1258 . 1 1 123 123 LEU HB3 H 1 2.161 0.020 . 2 . . . . 112 LEU HB3 . 26769 1 1259 . 1 1 123 123 LEU HG H 1 1.415 0.020 . 1 . . . . 112 LEU HG . 26769 1 1260 . 1 1 123 123 LEU HD11 H 1 1.019 0.020 . 2 . . . . 112 LEU HD11 . 26769 1 1261 . 1 1 123 123 LEU HD12 H 1 1.019 0.020 . 2 . . . . 112 LEU HD12 . 26769 1 1262 . 1 1 123 123 LEU HD13 H 1 1.019 0.020 . 2 . . . . 112 LEU HD13 . 26769 1 1263 . 1 1 123 123 LEU HD21 H 1 0.608 0.020 . 2 . . . . 112 LEU HD21 . 26769 1 1264 . 1 1 123 123 LEU HD22 H 1 0.608 0.020 . 2 . . . . 112 LEU HD22 . 26769 1 1265 . 1 1 123 123 LEU HD23 H 1 0.608 0.020 . 2 . . . . 112 LEU HD23 . 26769 1 1266 . 1 1 123 123 LEU C C 13 177.717 0.200 . 1 . . . . 112 LEU C . 26769 1 1267 . 1 1 123 123 LEU CA C 13 57.571 0.200 . 1 . . . . 112 LEU CA . 26769 1 1268 . 1 1 123 123 LEU CB C 13 41.089 0.200 . 1 . . . . 112 LEU CB . 26769 1 1269 . 1 1 123 123 LEU CG C 13 27.517 0.200 . 1 . . . . 112 LEU CG . 26769 1 1270 . 1 1 123 123 LEU CD1 C 13 28.036 0.200 . 2 . . . . 112 LEU CD1 . 26769 1 1271 . 1 1 123 123 LEU CD2 C 13 22.198 0.200 . 2 . . . . 112 LEU CD2 . 26769 1 1272 . 1 1 123 123 LEU N N 15 120.624 0.200 . 1 . . . . 112 LEU N . 26769 1 1273 . 1 1 124 124 LEU H H 1 8.347 0.020 . 1 . . . . 113 LEU H . 26769 1 1274 . 1 1 124 124 LEU HA H 1 3.875 0.020 . 1 . . . . 113 LEU HA . 26769 1 1275 . 1 1 124 124 LEU HB2 H 1 1.570 0.020 . 2 . . . . 113 LEU HB2 . 26769 1 1276 . 1 1 124 124 LEU HB3 H 1 1.705 0.020 . 2 . . . . 113 LEU HB3 . 26769 1 1277 . 1 1 124 124 LEU HG H 1 1.619 0.020 . 1 . . . . 113 LEU HG . 26769 1 1278 . 1 1 124 124 LEU HD11 H 1 0.934 0.020 . 2 . . . . 113 LEU HD11 . 26769 1 1279 . 1 1 124 124 LEU HD12 H 1 0.934 0.020 . 2 . . . . 113 LEU HD12 . 26769 1 1280 . 1 1 124 124 LEU HD13 H 1 0.934 0.020 . 2 . . . . 113 LEU HD13 . 26769 1 1281 . 1 1 124 124 LEU HD21 H 1 0.865 0.020 . 2 . . . . 113 LEU HD21 . 26769 1 1282 . 1 1 124 124 LEU HD22 H 1 0.865 0.020 . 2 . . . . 113 LEU HD22 . 26769 1 1283 . 1 1 124 124 LEU HD23 H 1 0.865 0.020 . 2 . . . . 113 LEU HD23 . 26769 1 1284 . 1 1 124 124 LEU C C 13 178.657 0.200 . 1 . . . . 113 LEU C . 26769 1 1285 . 1 1 124 124 LEU CA C 13 57.787 0.200 . 1 . . . . 113 LEU CA . 26769 1 1286 . 1 1 124 124 LEU CB C 13 41.396 0.200 . 1 . . . . 113 LEU CB . 26769 1 1287 . 1 1 124 124 LEU CG C 13 26.964 0.200 . 1 . . . . 113 LEU CG . 26769 1 1288 . 1 1 124 124 LEU CD1 C 13 24.691 0.200 . 2 . . . . 113 LEU CD1 . 26769 1 1289 . 1 1 124 124 LEU CD2 C 13 23.346 0.200 . 2 . . . . 113 LEU CD2 . 26769 1 1290 . 1 1 124 124 LEU N N 15 117.779 0.200 . 1 . . . . 113 LEU N . 26769 1 1291 . 1 1 125 125 ALA H H 1 7.804 0.020 . 1 . . . . 114 ALA H . 26769 1 1292 . 1 1 125 125 ALA HA H 1 4.149 0.020 . 1 . . . . 114 ALA HA . 26769 1 1293 . 1 1 125 125 ALA HB1 H 1 1.522 0.020 . 1 . . . . 114 ALA HB1 . 26769 1 1294 . 1 1 125 125 ALA HB2 H 1 1.522 0.020 . 1 . . . . 114 ALA HB2 . 26769 1 1295 . 1 1 125 125 ALA HB3 H 1 1.522 0.020 . 1 . . . . 114 ALA HB3 . 26769 1 1296 . 1 1 125 125 ALA C C 13 180.853 0.200 . 1 . . . . 114 ALA C . 26769 1 1297 . 1 1 125 125 ALA CA C 13 55.132 0.200 . 1 . . . . 114 ALA CA . 26769 1 1298 . 1 1 125 125 ALA CB C 13 18.073 0.200 . 1 . . . . 114 ALA CB . 26769 1 1299 . 1 1 125 125 ALA N N 15 119.519 0.200 . 1 . . . . 114 ALA N . 26769 1 1300 . 1 1 126 126 VAL H H 1 7.626 0.020 . 1 . . . . 115 VAL H . 26769 1 1301 . 1 1 126 126 VAL HA H 1 3.873 0.020 . 1 . . . . 115 VAL HA . 26769 1 1302 . 1 1 126 126 VAL HB H 1 2.140 0.020 . 1 . . . . 115 VAL HB . 26769 1 1303 . 1 1 126 126 VAL HG11 H 1 0.895 0.020 . 2 . . . . 115 VAL HG11 . 26769 1 1304 . 1 1 126 126 VAL HG12 H 1 0.895 0.020 . 2 . . . . 115 VAL HG12 . 26769 1 1305 . 1 1 126 126 VAL HG13 H 1 0.895 0.020 . 2 . . . . 115 VAL HG13 . 26769 1 1306 . 1 1 126 126 VAL HG21 H 1 1.084 0.020 . 2 . . . . 115 VAL HG21 . 26769 1 1307 . 1 1 126 126 VAL HG22 H 1 1.084 0.020 . 2 . . . . 115 VAL HG22 . 26769 1 1308 . 1 1 126 126 VAL HG23 H 1 1.084 0.020 . 2 . . . . 115 VAL HG23 . 26769 1 1309 . 1 1 126 126 VAL C C 13 177.620 0.200 . 1 . . . . 115 VAL C . 26769 1 1310 . 1 1 126 126 VAL CA C 13 66.190 0.200 . 1 . . . . 115 VAL CA . 26769 1 1311 . 1 1 126 126 VAL CB C 13 31.710 0.200 . 1 . . . . 115 VAL CB . 26769 1 1312 . 1 1 126 126 VAL CG1 C 13 21.188 0.200 . 2 . . . . 115 VAL CG1 . 26769 1 1313 . 1 1 126 126 VAL CG2 C 13 23.337 0.200 . 2 . . . . 115 VAL CG2 . 26769 1 1314 . 1 1 126 126 VAL N N 15 119.518 0.200 . 1 . . . . 115 VAL N . 26769 1 1315 . 1 1 127 127 ILE H H 1 8.110 0.020 . 1 . . . . 116 ILE H . 26769 1 1316 . 1 1 127 127 ILE HA H 1 3.674 0.020 . 1 . . . . 116 ILE HA . 26769 1 1317 . 1 1 127 127 ILE HB H 1 1.811 0.020 . 1 . . . . 116 ILE HB . 26769 1 1318 . 1 1 127 127 ILE HG12 H 1 1.242 0.020 . 2 . . . . 116 ILE HG12 . 26769 1 1319 . 1 1 127 127 ILE HG13 H 1 1.086 0.020 . 2 . . . . 116 ILE HG13 . 26769 1 1320 . 1 1 127 127 ILE HG21 H 1 0.720 0.020 . 1 . . . . 116 ILE HG21 . 26769 1 1321 . 1 1 127 127 ILE HG22 H 1 0.720 0.020 . 1 . . . . 116 ILE HG22 . 26769 1 1322 . 1 1 127 127 ILE HG23 H 1 0.720 0.020 . 1 . . . . 116 ILE HG23 . 26769 1 1323 . 1 1 127 127 ILE HD11 H 1 0.438 0.020 . 1 . . . . 116 ILE HD11 . 26769 1 1324 . 1 1 127 127 ILE HD12 H 1 0.438 0.020 . 1 . . . . 116 ILE HD12 . 26769 1 1325 . 1 1 127 127 ILE HD13 H 1 0.438 0.020 . 1 . . . . 116 ILE HD13 . 26769 1 1326 . 1 1 127 127 ILE C C 13 177.416 0.200 . 1 . . . . 116 ILE C . 26769 1 1327 . 1 1 127 127 ILE CA C 13 63.187 0.200 . 1 . . . . 116 ILE CA . 26769 1 1328 . 1 1 127 127 ILE CB C 13 36.704 0.200 . 1 . . . . 116 ILE CB . 26769 1 1329 . 1 1 127 127 ILE CG1 C 13 28.273 0.200 . 1 . . . . 116 ILE CG1 . 26769 1 1330 . 1 1 127 127 ILE CG2 C 13 17.181 0.200 . 1 . . . . 116 ILE CG2 . 26769 1 1331 . 1 1 127 127 ILE CD1 C 13 11.853 0.200 . 1 . . . . 116 ILE CD1 . 26769 1 1332 . 1 1 127 127 ILE N N 15 120.578 0.200 . 1 . . . . 116 ILE N . 26769 1 1333 . 1 1 128 128 LYS H H 1 8.069 0.020 . 1 . . . . 117 LYS H . 26769 1 1334 . 1 1 128 128 LYS HA H 1 4.021 0.020 . 1 . . . . 117 LYS HA . 26769 1 1335 . 1 1 128 128 LYS HB2 H 1 1.955 0.020 . 2 . . . . 117 LYS HB2 . 26769 1 1336 . 1 1 128 128 LYS HB3 H 1 1.873 0.020 . 2 . . . . 117 LYS HB3 . 26769 1 1337 . 1 1 128 128 LYS C C 13 178.689 0.200 . 1 . . . . 117 LYS C . 26769 1 1338 . 1 1 128 128 LYS CA C 13 58.923 0.200 . 1 . . . . 117 LYS CA . 26769 1 1339 . 1 1 128 128 LYS CB C 13 32.001 0.200 . 1 . . . . 117 LYS CB . 26769 1 1340 . 1 1 128 128 LYS N N 15 120.012 0.200 . 1 . . . . 117 LYS N . 26769 1 1341 . 1 1 129 129 LYS H H 1 7.536 0.020 . 1 . . . . 118 LYS H . 26769 1 1342 . 1 1 129 129 LYS HA H 1 4.138 0.020 . 1 . . . . 118 LYS HA . 26769 1 1343 . 1 1 129 129 LYS HB2 H 1 2.029 0.020 . 1 . . . . 118 LYS HB2 . 26769 1 1344 . 1 1 129 129 LYS HB3 H 1 2.030 0.020 . 1 . . . . 118 LYS HB3 . 26769 1 1345 . 1 1 129 129 LYS HG2 H 1 1.505 0.020 . 2 . . . . 118 LYS HG2 . 26769 1 1346 . 1 1 129 129 LYS HG3 H 1 1.517 0.020 . 2 . . . . 118 LYS HG3 . 26769 1 1347 . 1 1 129 129 LYS HD2 H 1 1.751 0.020 . 1 . . . . 118 LYS HD2 . 26769 1 1348 . 1 1 129 129 LYS HD3 H 1 1.751 0.020 . 1 . . . . 118 LYS HD3 . 26769 1 1349 . 1 1 129 129 LYS HE2 H 1 3.039 0.020 . 1 . . . . 118 LYS HE2 . 26769 1 1350 . 1 1 129 129 LYS HE3 H 1 3.039 0.020 . 1 . . . . 118 LYS HE3 . 26769 1 1351 . 1 1 129 129 LYS C C 13 178.447 0.200 . 1 . . . . 118 LYS C . 26769 1 1352 . 1 1 129 129 LYS CA C 13 58.836 0.200 . 1 . . . . 118 LYS CA . 26769 1 1353 . 1 1 129 129 LYS CB C 13 32.802 0.200 . 1 . . . . 118 LYS CB . 26769 1 1354 . 1 1 129 129 LYS CG C 13 24.869 0.200 . 1 . . . . 118 LYS CG . 26769 1 1355 . 1 1 129 129 LYS CD C 13 29.254 0.200 . 1 . . . . 118 LYS CD . 26769 1 1356 . 1 1 129 129 LYS CE C 13 42.252 0.200 . 1 . . . . 118 LYS CE . 26769 1 1357 . 1 1 129 129 LYS N N 15 117.784 0.200 . 1 . . . . 118 LYS N . 26769 1 1358 . 1 1 130 130 VAL H H 1 8.008 0.020 . 1 . . . . 119 VAL H . 26769 1 1359 . 1 1 130 130 VAL HA H 1 4.153 0.020 . 1 . . . . 119 VAL HA . 26769 1 1360 . 1 1 130 130 VAL HB H 1 2.116 0.020 . 1 . . . . 119 VAL HB . 26769 1 1361 . 1 1 130 130 VAL HG11 H 1 0.974 0.020 . 2 . . . . 119 VAL HG11 . 26769 1 1362 . 1 1 130 130 VAL HG12 H 1 0.974 0.020 . 2 . . . . 119 VAL HG12 . 26769 1 1363 . 1 1 130 130 VAL HG13 H 1 0.974 0.020 . 2 . . . . 119 VAL HG13 . 26769 1 1364 . 1 1 130 130 VAL HG21 H 1 0.892 0.020 . 2 . . . . 119 VAL HG21 . 26769 1 1365 . 1 1 130 130 VAL HG22 H 1 0.892 0.020 . 2 . . . . 119 VAL HG22 . 26769 1 1366 . 1 1 130 130 VAL HG23 H 1 0.892 0.020 . 2 . . . . 119 VAL HG23 . 26769 1 1367 . 1 1 130 130 VAL C C 13 176.239 0.200 . 1 . . . . 119 VAL C . 26769 1 1368 . 1 1 130 130 VAL CA C 13 63.920 0.200 . 1 . . . . 119 VAL CA . 26769 1 1369 . 1 1 130 130 VAL CB C 13 32.486 0.200 . 1 . . . . 119 VAL CB . 26769 1 1370 . 1 1 130 130 VAL CG1 C 13 21.002 0.200 . 2 . . . . 119 VAL CG1 . 26769 1 1371 . 1 1 130 130 VAL CG2 C 13 21.101 0.200 . 2 . . . . 119 VAL CG2 . 26769 1 1372 . 1 1 130 130 VAL N N 15 112.713 0.200 . 1 . . . . 119 VAL N . 26769 1 1373 . 1 1 131 131 LEU H H 1 8.204 0.020 . 1 . . . . 120 LEU H . 26769 1 1374 . 1 1 131 131 LEU HA H 1 4.567 0.020 . 1 . . . . 120 LEU HA . 26769 1 1375 . 1 1 131 131 LEU HB2 H 1 1.766 0.020 . 2 . . . . 120 LEU HB2 . 26769 1 1376 . 1 1 131 131 LEU HB3 H 1 1.734 0.020 . 2 . . . . 120 LEU HB3 . 26769 1 1377 . 1 1 131 131 LEU HG H 1 1.592 0.020 . 1 . . . . 120 LEU HG . 26769 1 1378 . 1 1 131 131 LEU HD11 H 1 0.674 0.020 . 2 . . . . 120 LEU HD11 . 26769 1 1379 . 1 1 131 131 LEU HD12 H 1 0.674 0.020 . 2 . . . . 120 LEU HD12 . 26769 1 1380 . 1 1 131 131 LEU HD13 H 1 0.674 0.020 . 2 . . . . 120 LEU HD13 . 26769 1 1381 . 1 1 131 131 LEU HD21 H 1 0.761 0.020 . 2 . . . . 120 LEU HD21 . 26769 1 1382 . 1 1 131 131 LEU HD22 H 1 0.761 0.020 . 2 . . . . 120 LEU HD22 . 26769 1 1383 . 1 1 131 131 LEU HD23 H 1 0.761 0.020 . 2 . . . . 120 LEU HD23 . 26769 1 1384 . 1 1 131 131 LEU C C 13 176.906 0.200 . 1 . . . . 120 LEU C . 26769 1 1385 . 1 1 131 131 LEU CA C 13 55.475 0.200 . 1 . . . . 120 LEU CA . 26769 1 1386 . 1 1 131 131 LEU CB C 13 42.852 0.200 . 1 . . . . 120 LEU CB . 26769 1 1387 . 1 1 131 131 LEU CG C 13 27.342 0.200 . 1 . . . . 120 LEU CG . 26769 1 1388 . 1 1 131 131 LEU CD1 C 13 25.316 0.200 . 2 . . . . 120 LEU CD1 . 26769 1 1389 . 1 1 131 131 LEU CD2 C 13 24.064 0.200 . 2 . . . . 120 LEU CD2 . 26769 1 1390 . 1 1 131 131 LEU N N 15 119.384 0.200 . 1 . . . . 120 LEU N . 26769 1 1391 . 1 1 132 132 GLY H H 1 7.674 0.020 . 1 . . . . 121 GLY H . 26769 1 1392 . 1 1 132 132 GLY HA2 H 1 3.797 0.020 . 2 . . . . 121 GLY HA2 . 26769 1 1393 . 1 1 132 132 GLY HA3 H 1 4.008 0.020 . 2 . . . . 121 GLY HA3 . 26769 1 1394 . 1 1 132 132 GLY C C 13 179.195 0.200 . 1 . . . . 121 GLY C . 26769 1 1395 . 1 1 132 132 GLY CA C 13 46.417 0.200 . 1 . . . . 121 GLY CA . 26769 1 1396 . 1 1 132 132 GLY N N 15 114.695 0.200 . 1 . . . . 121 GLY N . 26769 1 stop_ save_