data_25573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25573 _Entry.Title ; NMR Structure of the Myristylated Feline Immunodeficiency Virus Matrix Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-15 _Entry.Accession_date 2015-04-15 _Entry.Last_release_date 2015-05-26 _Entry.Original_release_date 2015-05-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lola Brown . A. . 25573 2 Cassiah Cox . . . 25573 3 Ryan Button . J. . 25573 4 Janae Baptiste . . . 25573 5 Kennedy Bahlow . . . 25573 6 Vaughn Spurrier . . . 25573 7 Benjamin Luttge . G. . 25573 8 Lillian Kuo . . . 25573 9 Eric Freed . O. . 25573 10 Michael Summers . F. . 25573 11 Jenna Kyser . . . 25573 12 Holly Summers . R. . 25573 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25573 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FIV . 25573 HIV . 25573 SIV . 25573 feline . 25573 matrix . 25573 myristoylated . 25573 myristylated . 25573 p15 . 25573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 25573 '15N chemical shifts' 120 25573 '1H chemical shifts' 560 25573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-26 . original BMRB . 25573 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N1R 'BMRB Entry Tracking System' 25573 stop_ save_ ############### # Citations # ############### save_Virology_citation _Citation.Sf_category citations _Citation.Sf_framecode Virology_citation _Citation.Entry_ID 25573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25941825 _Citation.Full_citation . _Citation.Title ; NMR structure of the myristylated feline immunodeficiency virus matrix protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Viruses _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 5 _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 2210 _Citation.Page_last 2229 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lola Brown . A. . 25573 1 2 Cassiah Cox . . . 25573 1 3 Janae Baptiste . . . 25573 1 4 Holly Summers . R. . 25573 1 5 Ryan Button . J. . 25573 1 6 Kennedy Bahlow . . . 25573 1 7 Vaughn Spurrier . . . 25573 1 8 Jenna Kyser . . . 25573 1 9 Benjamin Luttge . G. . 25573 1 10 Lillian Kuo . . . 25573 1 11 Eric Freed . O. . 25573 1 12 Michael Summers . F. . 25573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25573 _Assembly.ID 1 _Assembly.Name 'Myristylated Feline Immunodeficiency Virus Matrix Protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Feline Immunodeficiency Virus Matrix Protein' 1 $Feline_Immunodeficiency_Virus_Matrix_Protein A . yes native no no . . . 25573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Feline_Immunodeficiency_Virus_Matrix_Protein _Entity.Sf_category entity _Entity.Sf_framecode Feline_Immunodeficiency_Virus_Matrix_Protein _Entity.Entry_ID 25573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Feline_Immunodeficiency_Virus_Matrix_Protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGNGASRDWKMAIKRCSNVA VGVGGKSKKFGEGNFRWAIR MANVSTGREPGDIPETLDQL RLVICDLQERREKFGSSKEI DMAIVTLKVFAVAGLLNMTV STAAAAENMYSQMGLDTRPS MKEAGGKEEGPPQAY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation Q5A/G6S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14729.074 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2N1R . "Nmr Structure Of The Myristylated Feline Immunodeficiency Virus Matrix Protein" . . . . . 98.52 135 100.00 100.00 3.66e-91 . . . . 25573 1 2 no PDB 4IC9 . "Crystal Structure Of The Full-length Matrix Subunit (p15) Of The Feline Immunodeficiency Virus (fiv) Gag Polyprotein" . . . . . 99.26 149 98.51 98.51 1.91e-91 . . . . 25573 1 3 no EMBL CAA40317 . "GAG [Feline immunodeficiency virus]" . . . . . 99.26 450 98.51 98.51 1.77e-87 . . . . 25573 1 4 no GB AAB59936 . "gag protein [Feline immunodeficiency virus]" . . . . . 99.26 450 98.51 98.51 1.91e-87 . . . . 25573 1 5 no REF NP_040972 . "gag protein [Feline immunodeficiency virus]" . . . . . 99.26 450 98.51 98.51 1.91e-87 . . . . 25573 1 6 no SP P16087 . "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p24" . . . . . 99.26 450 98.51 98.51 1.89e-87 . . . . 25573 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MYR . 25573 1 2 2 GLY . 25573 1 3 3 ASN . 25573 1 4 4 GLY . 25573 1 5 5 ALA . 25573 1 6 6 SER . 25573 1 7 7 ARG . 25573 1 8 8 ASP . 25573 1 9 9 TRP . 25573 1 10 10 LYS . 25573 1 11 11 MET . 25573 1 12 12 ALA . 25573 1 13 13 ILE . 25573 1 14 14 LYS . 25573 1 15 15 ARG . 25573 1 16 16 CYS . 25573 1 17 17 SER . 25573 1 18 18 ASN . 25573 1 19 19 VAL . 25573 1 20 20 ALA . 25573 1 21 21 VAL . 25573 1 22 22 GLY . 25573 1 23 23 VAL . 25573 1 24 24 GLY . 25573 1 25 25 GLY . 25573 1 26 26 LYS . 25573 1 27 27 SER . 25573 1 28 28 LYS . 25573 1 29 29 LYS . 25573 1 30 30 PHE . 25573 1 31 31 GLY . 25573 1 32 32 GLU . 25573 1 33 33 GLY . 25573 1 34 34 ASN . 25573 1 35 35 PHE . 25573 1 36 36 ARG . 25573 1 37 37 TRP . 25573 1 38 38 ALA . 25573 1 39 39 ILE . 25573 1 40 40 ARG . 25573 1 41 41 MET . 25573 1 42 42 ALA . 25573 1 43 43 ASN . 25573 1 44 44 VAL . 25573 1 45 45 SER . 25573 1 46 46 THR . 25573 1 47 47 GLY . 25573 1 48 48 ARG . 25573 1 49 49 GLU . 25573 1 50 50 PRO . 25573 1 51 51 GLY . 25573 1 52 52 ASP . 25573 1 53 53 ILE . 25573 1 54 54 PRO . 25573 1 55 55 GLU . 25573 1 56 56 THR . 25573 1 57 57 LEU . 25573 1 58 58 ASP . 25573 1 59 59 GLN . 25573 1 60 60 LEU . 25573 1 61 61 ARG . 25573 1 62 62 LEU . 25573 1 63 63 VAL . 25573 1 64 64 ILE . 25573 1 65 65 CYS . 25573 1 66 66 ASP . 25573 1 67 67 LEU . 25573 1 68 68 GLN . 25573 1 69 69 GLU . 25573 1 70 70 ARG . 25573 1 71 71 ARG . 25573 1 72 72 GLU . 25573 1 73 73 LYS . 25573 1 74 74 PHE . 25573 1 75 75 GLY . 25573 1 76 76 SER . 25573 1 77 77 SER . 25573 1 78 78 LYS . 25573 1 79 79 GLU . 25573 1 80 80 ILE . 25573 1 81 81 ASP . 25573 1 82 82 MET . 25573 1 83 83 ALA . 25573 1 84 84 ILE . 25573 1 85 85 VAL . 25573 1 86 86 THR . 25573 1 87 87 LEU . 25573 1 88 88 LYS . 25573 1 89 89 VAL . 25573 1 90 90 PHE . 25573 1 91 91 ALA . 25573 1 92 92 VAL . 25573 1 93 93 ALA . 25573 1 94 94 GLY . 25573 1 95 95 LEU . 25573 1 96 96 LEU . 25573 1 97 97 ASN . 25573 1 98 98 MET . 25573 1 99 99 THR . 25573 1 100 100 VAL . 25573 1 101 101 SER . 25573 1 102 102 THR . 25573 1 103 103 ALA . 25573 1 104 104 ALA . 25573 1 105 105 ALA . 25573 1 106 106 ALA . 25573 1 107 107 GLU . 25573 1 108 108 ASN . 25573 1 109 109 MET . 25573 1 110 110 TYR . 25573 1 111 111 SER . 25573 1 112 112 GLN . 25573 1 113 113 MET . 25573 1 114 114 GLY . 25573 1 115 115 LEU . 25573 1 116 116 ASP . 25573 1 117 117 THR . 25573 1 118 118 ARG . 25573 1 119 119 PRO . 25573 1 120 120 SER . 25573 1 121 121 MET . 25573 1 122 122 LYS . 25573 1 123 123 GLU . 25573 1 124 124 ALA . 25573 1 125 125 GLY . 25573 1 126 126 GLY . 25573 1 127 127 LYS . 25573 1 128 128 GLU . 25573 1 129 129 GLU . 25573 1 130 130 GLY . 25573 1 131 131 PRO . 25573 1 132 132 PRO . 25573 1 133 133 GLN . 25573 1 134 134 ALA . 25573 1 135 135 TYR . 25573 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 . MYR 1 1 25573 1 . GLY 2 2 25573 1 . ASN 3 3 25573 1 . GLY 4 4 25573 1 . ALA 5 5 25573 1 . SER 6 6 25573 1 . ARG 7 7 25573 1 . ASP 8 8 25573 1 . TRP 9 9 25573 1 . LYS 10 10 25573 1 . MET 11 11 25573 1 . ALA 12 12 25573 1 . ILE 13 13 25573 1 . LYS 14 14 25573 1 . ARG 15 15 25573 1 . CYS 16 16 25573 1 . SER 17 17 25573 1 . ASN 18 18 25573 1 . VAL 19 19 25573 1 . ALA 20 20 25573 1 . VAL 21 21 25573 1 . GLY 22 22 25573 1 . VAL 23 23 25573 1 . GLY 24 24 25573 1 . GLY 25 25 25573 1 . LYS 26 26 25573 1 . SER 27 27 25573 1 . LYS 28 28 25573 1 . LYS 29 29 25573 1 . PHE 30 30 25573 1 . GLY 31 31 25573 1 . GLU 32 32 25573 1 . GLY 33 33 25573 1 . ASN 34 34 25573 1 . PHE 35 35 25573 1 . ARG 36 36 25573 1 . TRP 37 37 25573 1 . ALA 38 38 25573 1 . ILE 39 39 25573 1 . ARG 40 40 25573 1 . MET 41 41 25573 1 . ALA 42 42 25573 1 . ASN 43 43 25573 1 . VAL 44 44 25573 1 . SER 45 45 25573 1 . THR 46 46 25573 1 . GLY 47 47 25573 1 . ARG 48 48 25573 1 . GLU 49 49 25573 1 . PRO 50 50 25573 1 . GLY 51 51 25573 1 . ASP 52 52 25573 1 . ILE 53 53 25573 1 . PRO 54 54 25573 1 . GLU 55 55 25573 1 . THR 56 56 25573 1 . LEU 57 57 25573 1 . ASP 58 58 25573 1 . GLN 59 59 25573 1 . LEU 60 60 25573 1 . ARG 61 61 25573 1 . LEU 62 62 25573 1 . VAL 63 63 25573 1 . ILE 64 64 25573 1 . CYS 65 65 25573 1 . ASP 66 66 25573 1 . LEU 67 67 25573 1 . GLN 68 68 25573 1 . GLU 69 69 25573 1 . ARG 70 70 25573 1 . ARG 71 71 25573 1 . GLU 72 72 25573 1 . LYS 73 73 25573 1 . PHE 74 74 25573 1 . GLY 75 75 25573 1 . SER 76 76 25573 1 . SER 77 77 25573 1 . LYS 78 78 25573 1 . GLU 79 79 25573 1 . ILE 80 80 25573 1 . ASP 81 81 25573 1 . MET 82 82 25573 1 . ALA 83 83 25573 1 . ILE 84 84 25573 1 . VAL 85 85 25573 1 . THR 86 86 25573 1 . LEU 87 87 25573 1 . LYS 88 88 25573 1 . VAL 89 89 25573 1 . PHE 90 90 25573 1 . ALA 91 91 25573 1 . VAL 92 92 25573 1 . ALA 93 93 25573 1 . GLY 94 94 25573 1 . LEU 95 95 25573 1 . LEU 96 96 25573 1 . ASN 97 97 25573 1 . MET 98 98 25573 1 . THR 99 99 25573 1 . VAL 100 100 25573 1 . SER 101 101 25573 1 . THR 102 102 25573 1 . ALA 103 103 25573 1 . ALA 104 104 25573 1 . ALA 105 105 25573 1 . ALA 106 106 25573 1 . GLU 107 107 25573 1 . ASN 108 108 25573 1 . MET 109 109 25573 1 . TYR 110 110 25573 1 . SER 111 111 25573 1 . GLN 112 112 25573 1 . MET 113 113 25573 1 . GLY 114 114 25573 1 . LEU 115 115 25573 1 . ASP 116 116 25573 1 . THR 117 117 25573 1 . ARG 118 118 25573 1 . PRO 119 119 25573 1 . SER 120 120 25573 1 . MET 121 121 25573 1 . LYS 122 122 25573 1 . GLU 123 123 25573 1 . ALA 124 124 25573 1 . GLY 125 125 25573 1 . GLY 126 126 25573 1 . LYS 127 127 25573 1 . GLU 128 128 25573 1 . GLU 129 129 25573 1 . GLY 130 130 25573 1 . PRO 131 131 25573 1 . PRO 132 132 25573 1 . GLN 133 133 25573 1 . ALA 134 134 25573 1 . TYR 135 135 25573 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25573 _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 $Feline_Immunodeficiency_Virus_Matrix_Protein . 9685 organism . 'Felis catus' 'domestic cat' . . Eukaryota Metazoa Felis catus 'Petaluma strain' 'clone 34TF10' . . . . . . . . . . . 25573 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 25573 _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 $Feline_Immunodeficiency_Virus_Matrix_Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) RIL' . . . . . pET11/pET17 . . . 25573 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 25573 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-04-24 _Chem_comp.Modified_date 2014-04-24 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _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 CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 25573 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25573 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.385 25573 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.385 25573 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 25573 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 12.01 25573 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 25573 MYR 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 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 25573 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25573 MYR 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 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.748 . -0.653 . 3.744 . 6.963 -0.121 0.001 1 . 25573 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 6.160 . -1.704 . 3.756 . 6.889 -1.327 0.001 2 . 25573 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 6.245 . 0.389 . 4.316 . 8.165 0.477 -0.004 3 . 25573 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 8.095 . -0.440 . 3.061 . 5.707 0.712 0.002 4 . 25573 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.236 . -1.264 . 3.627 . 4.485 -0.209 0.001 5 . 25573 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 9.578 . -0.958 . 5.081 . 3.210 0.637 0.001 6 . 25573 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.773 . -1.735 . 5.635 . 1.988 -0.284 0.001 7 . 25573 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 11.280 . -1.093 . 6.928 . 0.712 0.561 0.001 8 . 25573 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 12.782 . -1.170 . 7.157 . -0.510 -0.359 0.000 9 . 25573 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 13.305 . 0.171 . 7.667 . -1.785 0.486 0.001 10 . 25573 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.245 . 0.011 . 8.840 . -3.007 -0.435 -0.000 11 . 25573 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.363 . 1.259 . 9.699 . -4.282 0.410 0.000 12 . 25573 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.566 . 2.088 . 9.297 . -5.504 -0.510 -0.001 13 . 25573 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.613 . 3.507 . 9.835 . -6.780 0.335 -0.000 14 . 25573 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 16.815 . 4.232 . 9.253 . -8.002 -0.586 -0.001 15 . 25573 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.118 . 5.584 . 9.876 . -9.277 0.260 -0.001 16 . 25573 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no yes . . . . 5.406 . 0.165 . 4.702 . 8.942 -0.098 -0.008 17 . 25573 MYR H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 7.983 . -0.697 . 1.997 . 5.688 1.340 0.892 18 . 25573 MYR H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 8.362 . 0.623 . 3.155 . 5.688 1.341 -0.888 19 . 25573 MYR H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 8.961 . -2.327 . 3.555 . 4.504 -0.837 -0.890 20 . 25573 MYR H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 10.131 . -1.075 . 3.017 . 4.504 -0.838 0.891 21 . 25573 MYR H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 9.801 . 0.116 . 5.162 . 3.191 1.265 0.891 22 . 25573 MYR H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 8.699 . -1.197 . 5.697 . 3.191 1.266 -0.888 23 . 25573 MYR H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 10.466 . -2.771 . 5.842 . 2.007 -0.913 -0.890 24 . 25573 MYR H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 11.582 . -1.734 . 4.890 . 2.007 -0.914 0.890 25 . 25573 MYR H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 10.994 . -0.031 . 6.913 . 0.693 1.190 0.891 26 . 25573 MYR H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 10.783 . -1.594 . 7.772 . 0.693 1.191 -0.889 27 . 25573 MYR H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 12.997 . -1.951 . 7.901 . -0.491 -0.988 -0.890 28 . 25573 MYR H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 13.282 . -1.419 . 6.209 . -0.491 -0.989 0.890 29 . 25573 MYR H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 13.842 . 0.675 . 6.850 . -1.804 1.114 0.891 30 . 25573 MYR H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 12.450 . 0.788 . 7.980 . -1.804 1.115 -0.889 31 . 25573 MYR H91 H91 H91 H91 . H . . N 0 . . . 1 no no . . . . 13.877 . -0.812 . 9.471 . -2.988 -1.063 -0.891 32 . 25573 MYR H92 H92 H92 H92 . H . . N 0 . . . 1 no no . . . . 15.244 . -0.241 . 8.454 . -2.988 -1.064 0.890 33 . 25573 MYR H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . 13.453 . 1.865 . 9.579 . -4.301 1.039 0.891 34 . 25573 MYR H102 H102 H102 H102 . H . . N 0 . . . 0 no no . . . . 14.468 . 0.961 . 10.753 . -4.301 1.040 -0.890 35 . 25573 MYR H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 16.467 . 1.565 . 9.650 . -5.485 -1.139 -0.891 36 . 25573 MYR H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 15.582 . 2.145 . 8.199 . -5.485 -1.140 0.889 37 . 25573 MYR H121 H121 H121 H121 . H . . N 0 . . . 0 no no . . . . 14.692 . 4.037 . 9.550 . -6.799 0.964 0.890 38 . 25573 MYR H122 H122 H122 H122 . H . . N 0 . . . 0 no no . . . . 15.697 . 3.480 . 10.931 . -6.799 0.965 -0.890 39 . 25573 MYR H131 H131 H131 H131 . H . . N 0 . . . 0 no no . . . . 17.698 . 3.590 . 9.387 . -7.983 -1.214 -0.891 40 . 25573 MYR H132 H132 H132 H132 . H . . N 0 . . . 0 no no . . . . 16.633 . 4.385 . 8.179 . -7.983 -1.215 0.889 41 . 25573 MYR H141 H141 H141 H141 . H . . N 0 . . . 0 no no . . . . 18.000 . 6.024 . 9.388 . -9.296 0.889 -0.890 42 . 25573 MYR H142 H142 H142 H142 . H . . N 0 . . . 0 no no . . . . 16.254 . 6.251 . 9.742 . -10.148 -0.396 -0.001 43 . 25573 MYR H143 H143 H143 H143 . H . . N 0 . . . 0 no no . . . . 17.319 . 5.456 . 10.950 . -9.296 0.888 0.890 44 . 25573 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 25573 MYR 2 . SING C1 O2 no N 2 . 25573 MYR 3 . SING C1 C2 no N 3 . 25573 MYR 4 . SING O2 HO2 no N 4 . 25573 MYR 5 . SING C2 C3 no N 5 . 25573 MYR 6 . SING C2 H21 no N 6 . 25573 MYR 7 . SING C2 H22 no N 7 . 25573 MYR 8 . SING C3 C4 no N 8 . 25573 MYR 9 . SING C3 H31 no N 9 . 25573 MYR 10 . SING C3 H32 no N 10 . 25573 MYR 11 . SING C4 C5 no N 11 . 25573 MYR 12 . SING C4 H41 no N 12 . 25573 MYR 13 . SING C4 H42 no N 13 . 25573 MYR 14 . SING C5 C6 no N 14 . 25573 MYR 15 . SING C5 H51 no N 15 . 25573 MYR 16 . SING C5 H52 no N 16 . 25573 MYR 17 . SING C6 C7 no N 17 . 25573 MYR 18 . SING C6 H61 no N 18 . 25573 MYR 19 . SING C6 H62 no N 19 . 25573 MYR 20 . SING C7 C8 no N 20 . 25573 MYR 21 . SING C7 H71 no N 21 . 25573 MYR 22 . SING C7 H72 no N 22 . 25573 MYR 23 . SING C8 C9 no N 23 . 25573 MYR 24 . SING C8 H81 no N 24 . 25573 MYR 25 . SING C8 H82 no N 25 . 25573 MYR 26 . SING C9 C10 no N 26 . 25573 MYR 27 . SING C9 H91 no N 27 . 25573 MYR 28 . SING C9 H92 no N 28 . 25573 MYR 29 . SING C10 C11 no N 29 . 25573 MYR 30 . SING C10 H101 no N 30 . 25573 MYR 31 . SING C10 H102 no N 31 . 25573 MYR 32 . SING C11 C12 no N 32 . 25573 MYR 33 . SING C11 H111 no N 33 . 25573 MYR 34 . SING C11 H112 no N 34 . 25573 MYR 35 . SING C12 C13 no N 35 . 25573 MYR 36 . SING C12 H121 no N 36 . 25573 MYR 37 . SING C12 H122 no N 37 . 25573 MYR 38 . SING C13 C14 no N 38 . 25573 MYR 39 . SING C13 H131 no N 39 . 25573 MYR 40 . SING C13 H132 no N 40 . 25573 MYR 41 . SING C14 H141 no N 41 . 25573 MYR 42 . SING C14 H142 no N 42 . 25573 MYR 43 . SING C14 H143 no N 43 . 25573 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_90_H2O-15N_labeled _Sample.Sf_category sample _Sample.Sf_framecode 90_H2O-15N_labeled _Sample.Entry_ID 25573 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25573 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25573 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25573 1 4 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 25573 1 5 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 25573 1 6 'MYRISTIC ACID' 'natural abundance' . . . . . . 0.5 . . mg/mL . . . . 25573 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25573 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25573 1 9 'Feline Immunodeficiency Virus Matrix Protein' '[U-90% 15N]' . . 1 $Feline_Immunodeficiency_Virus_Matrix_Protein . . . . . mM . . . . 25573 1 stop_ save_ save_D2O-13C _Sample.Sf_category sample _Sample.Sf_framecode D2O-13C _Sample.Entry_ID 25573 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25573 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25573 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25573 2 4 glucose '[U-100% 13C]' . . . . . . 4 . . g/L . . . . 25573 2 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 25573 2 6 'MYRISTIC ACID' 'natural abundance' . . . . . . 0.5 . . mg/mL . . . . 25573 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25573 2 8 'Feline Immunodeficiency Virus Matrix Protein' '[U-100% 13C]' . . 1 $Feline_Immunodeficiency_Virus_Matrix_Protein . . . . . mM . . . . 25573 2 stop_ save_ save_D2O-13C_1 _Sample.Sf_category sample _Sample.Sf_framecode D2O-13C_1 _Sample.Entry_ID 25573 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25573 3 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25573 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25573 3 4 glucose '[U-100% 13C]' . . . . . . 4 . . g/L . . . . 25573 3 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 25573 3 6 'MYRISTIC ACID' 'natural abundance' . . . . . . 0.5 . . mg/mL . . . . 25573 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25573 3 8 'Feline Immunodeficiency Virus Matrix Protein' '[U-100% 13C]' . . 1 $Feline_Immunodeficiency_Virus_Matrix_Protein . . . . . mM . . . . 25573 3 stop_ save_ save_D2O-13C_2 _Sample.Sf_category sample _Sample.Sf_framecode D2O-13C_2 _Sample.Entry_ID 25573 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25573 4 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25573 4 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25573 4 4 glucose '[U-100% 13C]' . . . . . . 4 . . g/L . . . . 25573 4 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 25573 4 6 'MYRISTIC ACID' 'natural abundance' . . . . . . 0.5 . . mg/mL . . . . 25573 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25573 4 8 'Feline Immunodeficiency Virus Matrix Protein' '[U-100% 13C]' . . 1 $Feline_Immunodeficiency_Virus_Matrix_Protein . . . . . mM . . . . 25573 4 stop_ save_ save_90_H2O-15N_labeled_1 _Sample.Sf_category sample _Sample.Sf_framecode 90_H2O-15N_labeled_1 _Sample.Entry_ID 25573 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM sodium phosphate, 150mM sodium chloride, 10mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25573 5 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25573 5 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25573 5 4 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 25573 5 5 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 25573 5 6 'MYRISTIC ACID' 'natural abundance' . . . . . . 0.5 . . mg/mL . . . . 25573 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25573 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25573 5 9 'Feline Immunodeficiency Virus Matrix Protein' '[U-90% 15N]' . . 1 $Feline_Immunodeficiency_Virus_Matrix_Protein . . . . . mM . . . . 25573 5 stop_ save_ ####################### # Sample conditions # ####################### save_standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard _Sample_condition_list.Entry_ID 25573 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 25573 1 pH 7 . pH 25573 1 pressure 1 . atm 25573 1 temperature 293 . K 25573 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25573 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25573 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25573 1 'data analysis' 25573 1 'peak picking' 25573 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25573 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25573 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 25573 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25573 _Software.ID 3 _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' . . 25573 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25573 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25573 _Software.ID 4 _Software.Name NMRDraw _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' . . 25573 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25573 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25573 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25573 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25573 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25573 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25573 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 800 . . . 25573 1 2 spectrometer_2 Bruker DMX . 600 . . . 25573 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 25573 _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 '15N-1HN HSQC' no . . . . . . . . . . 5 $90_H2O-15N_labeled_1 isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 2 '13C-1HN HNCA' no . . . . . . . . . . 1 $90_H2O-15N_labeled isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 3 '13C-1HN HN(CO)CA' no . . . . . . . . . . 1 $90_H2O-15N_labeled isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 4 CBCANH no . . . . . . . . . . 1 $90_H2O-15N_labeled isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $90_H2O-15N_labeled isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 6 'CARBON-NITROGEN NOESY (CNNOE)' no . . . . . . . . . . 1 $90_H2O-15N_labeled isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 7 '15N EDITED 3D NOESY' no . . . . . . . . . . 5 $90_H2O-15N_labeled_1 isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 8 '1H-13C HMQC' no . . . . . . . . . . 4 $D2O-13C_2 isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 9 'CARBON CARBON NOSEY (CCNOE)' no . . . . . . . . . . 4 $D2O-13C_2 isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 10 '1H-1H NOESY' no . . . . . . . . . . 2 $D2O-13C isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 1 11 '13C-1H HMQC NOESY' no . . . . . . . . . . 2 $D2O-13C isotropic . . 1 $standard . . . . . . . . . . . . . . . . . . . . . 25573 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 25573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl carbons' . . . . ppm 54.0 internal indirect 1.0 . . . . . . . . . 25573 1 H 1 water protons . . . . ppm 4.7 internal indirect 1.0 . . . . . . . . . 25573 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 117.0 internal indirect 1.0 . . . . . . . . . 25573 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 25573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N-1HN HSQC' . . . 25573 1 2 '13C-1HN HNCA' . . . 25573 1 3 '13C-1HN HN(CO)CA' . . . 25573 1 4 CBCANH . . . 25573 1 5 CBCA(CO)NH . . . 25573 1 6 'CARBON-NITROGEN NOESY (CNNOE)' . . . 25573 1 7 '15N EDITED 3D NOESY' . . . 25573 1 8 '1H-13C HMQC' . . . 25573 1 9 'CARBON CARBON NOSEY (CCNOE)' . . . 25573 1 10 '1H-1H NOESY' . . . 25573 1 11 '13C-1H HMQC NOESY' . . . 25573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.9470 0.0000 . 2 . . . A 2 GLY HA2 . 25573 1 2 . 1 1 2 2 GLY CA C 13 42.1359 0.0000 . 1 . . . A 2 GLY CA . 25573 1 3 . 1 1 3 3 ASN H H 1 8.5963 0.0000 . 1 . . . A 3 ASN H . 25573 1 4 . 1 1 3 3 ASN HA H 1 4.5829 0.0000 . 1 . . . A 3 ASN HA . 25573 1 5 . 1 1 3 3 ASN HB2 H 1 2.5577 0.0000 . 2 . . . A 3 ASN HB2 . 25573 1 6 . 1 1 3 3 ASN CA C 13 51.3914 0.0000 . 1 . . . A 3 ASN CA . 25573 1 7 . 1 1 3 3 ASN CB C 13 35.7119 0.0000 . 1 . . . A 3 ASN CB . 25573 1 8 . 1 1 3 3 ASN N N 15 119.3661 0.0000 . 1 . . . A 3 ASN N . 25573 1 9 . 1 1 4 4 GLY H H 1 8.0735 0.0000 . 1 . . . A 4 GLY H . 25573 1 10 . 1 1 4 4 GLY HA2 H 1 3.9535 0.0000 . 2 . . . A 4 GLY HA2 . 25573 1 11 . 1 1 4 4 GLY CA C 13 42.7018 0.0000 . 1 . . . A 4 GLY CA . 25573 1 12 . 1 1 4 4 GLY N N 15 112.8291 0.0000 . 1 . . . A 4 GLY N . 25573 1 13 . 1 1 5 5 ALA H H 1 8.0085 0.0000 . 1 . . . A 5 ALA H . 25573 1 14 . 1 1 5 5 ALA HA H 1 4.4031 0.0000 . 1 . . . A 5 ALA HA . 25573 1 15 . 1 1 5 5 ALA CA C 13 49.6397 0.0000 . 1 . . . A 5 ALA CA . 25573 1 16 . 1 1 5 5 ALA CB C 13 16.4138 0.0000 . 1 . . . A 5 ALA CB . 25573 1 17 . 1 1 5 5 ALA N N 15 123.6299 0.0000 . 1 . . . A 5 ALA N . 25573 1 18 . 1 1 6 6 SER H H 1 8.2933 0.0000 . 1 . . . A 6 SER H . 25573 1 19 . 1 1 6 6 SER HA H 1 4.2700 0.0000 . 1 . . . A 6 SER HA . 25573 1 20 . 1 1 6 6 SER HB2 H 1 3.8558 0.0000 . 2 . . . A 6 SER HB2 . 25573 1 21 . 1 1 6 6 SER CA C 13 56.0231 0.0000 . 1 . . . A 6 SER CA . 25573 1 22 . 1 1 6 6 SER CB C 13 60.9364 0.0000 . 1 . . . A 6 SER CB . 25573 1 23 . 1 1 6 6 SER N N 15 114.8660 0.0000 . 1 . . . A 6 SER N . 25573 1 24 . 1 1 7 7 ARG H H 1 8.3045 0.0000 . 1 . . . A 7 ARG H . 25573 1 25 . 1 1 7 7 ARG HB2 H 1 2.0943 0.0000 . 2 . . . A 7 ARG HB2 . 25573 1 26 . 1 1 7 7 ARG CA C 13 59.5063 0.0000 . 1 . . . A 7 ARG CA . 25573 1 27 . 1 1 7 7 ARG CB C 13 30.4217 0.0000 . 1 . . . A 7 ARG CB . 25573 1 28 . 1 1 7 7 ARG N N 15 119.2500 0.0000 . 1 . . . A 7 ARG N . 25573 1 29 . 1 1 8 8 ASP H H 1 7.9147 0.0000 . 1 . . . A 8 ASP H . 25573 1 30 . 1 1 8 8 ASP HA H 1 4.1528 0.0000 . 1 . . . A 8 ASP HA . 25573 1 31 . 1 1 8 8 ASP HB2 H 1 2.1589 0.0000 . 2 . . . A 8 ASP HB2 . 25573 1 32 . 1 1 8 8 ASP CA C 13 56.5536 0.0000 . 1 . . . A 8 ASP CA . 25573 1 33 . 1 1 8 8 ASP CB C 13 26.5008 0.0000 . 1 . . . A 8 ASP CB . 25573 1 34 . 1 1 8 8 ASP N N 15 119.6625 0.0000 . 1 . . . A 8 ASP N . 25573 1 35 . 1 1 9 9 TRP H H 1 8.2222 0.0000 . 1 . . . A 9 TRP H . 25573 1 36 . 1 1 9 9 TRP HA H 1 4.1160 0.0507 . 1 . . . A 9 TRP HA . 25573 1 37 . 1 1 9 9 TRP HB2 H 1 2.2328 0.0000 . 2 . . . A 9 TRP HB2 . 25573 1 38 . 1 1 9 9 TRP HB3 H 1 1.9682 0.0000 . 2 . . . A 9 TRP HB3 . 25573 1 39 . 1 1 9 9 TRP HD1 H 1 7.2029 0.0000 . 1 . . . A 9 TRP HD1 . 25573 1 40 . 1 1 9 9 TRP HE1 H 1 10.1823 0.0000 . 1 . . . A 9 TRP HE1 . 25573 1 41 . 1 1 9 9 TRP HZ2 H 1 7.4069 0.0000 . 1 . . . A 9 TRP HZ2 . 25573 1 42 . 1 1 9 9 TRP CA C 13 55.9616 0.0000 . 1 . . . A 9 TRP CA . 25573 1 43 . 1 1 9 9 TRP CB C 13 28.0221 0.0000 . 1 . . . A 9 TRP CB . 25573 1 44 . 1 1 9 9 TRP CD1 C 13 124.1246 0.0000 . 1 . . . A 9 TRP CD1 . 25573 1 45 . 1 1 9 9 TRP CZ2 C 13 112.1025 0.0000 . 1 . . . A 9 TRP CZ2 . 25573 1 46 . 1 1 9 9 TRP N N 15 121.8607 0.0000 . 1 . . . A 9 TRP N . 25573 1 47 . 1 1 9 9 TRP NE1 N 15 128.7089 0.0000 . 1 . . . A 9 TRP NE1 . 25573 1 48 . 1 1 10 10 LYS H H 1 8.0034 0.0000 . 1 . . . A 10 LYS H . 25573 1 49 . 1 1 10 10 LYS HA H 1 4.2817 0.0000 . 1 . . . A 10 LYS HA . 25573 1 50 . 1 1 10 10 LYS HB2 H 1 2.1920 0.0000 . 2 . . . A 10 LYS HB2 . 25573 1 51 . 1 1 10 10 LYS HD2 H 1 2.3688 0.0000 . 2 . . . A 10 LYS HD2 . 25573 1 52 . 1 1 10 10 LYS HE2 H 1 2.9489 0.0000 . 2 . . . A 10 LYS HE2 . 25573 1 53 . 1 1 10 10 LYS CA C 13 58.8987 0.0000 . 1 . . . A 10 LYS CA . 25573 1 54 . 1 1 10 10 LYS CB C 13 28.0392 0.0000 . 1 . . . A 10 LYS CB . 25573 1 55 . 1 1 10 10 LYS CD C 13 33.6764 0.0000 . 1 . . . A 10 LYS CD . 25573 1 56 . 1 1 10 10 LYS CE C 13 35.4603 0.0000 . 1 . . . A 10 LYS CE . 25573 1 57 . 1 1 10 10 LYS N N 15 118.6812 0.0000 . 1 . . . A 10 LYS N . 25573 1 58 . 1 1 11 11 MET H H 1 8.0409 0.0000 . 1 . . . A 11 MET H . 25573 1 59 . 1 1 11 11 MET HA H 1 4.5594 0.0000 . 1 . . . A 11 MET HA . 25573 1 60 . 1 1 11 11 MET CA C 13 53.4851 0.0000 . 1 . . . A 11 MET CA . 25573 1 61 . 1 1 11 11 MET N N 15 119.3661 0.0000 . 1 . . . A 11 MET N . 25573 1 62 . 1 1 12 12 ALA H H 1 7.9041 0.0000 . 1 . . . A 12 ALA H . 25573 1 63 . 1 1 12 12 ALA HA H 1 4.2094 0.0000 . 1 . . . A 12 ALA HA . 25573 1 64 . 1 1 12 12 ALA HB1 H 1 1.0898 0.0000 . 1 . . . A 12 ALA HB1 . 25573 1 65 . 1 1 12 12 ALA HB2 H 1 1.0898 0.0000 . 1 . . . A 12 ALA HB1 . 25573 1 66 . 1 1 12 12 ALA HB3 H 1 1.0898 0.0000 . 1 . . . A 12 ALA HB1 . 25573 1 67 . 1 1 12 12 ALA CA C 13 59.7987 0.0000 . 1 . . . A 12 ALA CA . 25573 1 68 . 1 1 12 12 ALA CB C 13 17.7719 0.0000 . 1 . . . A 12 ALA CB . 25573 1 69 . 1 1 12 12 ALA N N 15 122.6499 0.0000 . 1 . . . A 12 ALA N . 25573 1 70 . 1 1 13 13 ILE H H 1 8.3803 0.0000 . 1 . . . A 13 ILE H . 25573 1 71 . 1 1 13 13 ILE HB H 1 2.1562 0.0000 . 1 . . . A 13 ILE HB . 25573 1 72 . 1 1 13 13 ILE HG21 H 1 1.3684 0.0000 . 1 . . . A 13 ILE HG21 . 25573 1 73 . 1 1 13 13 ILE HG22 H 1 1.3684 0.0000 . 1 . . . A 13 ILE HG21 . 25573 1 74 . 1 1 13 13 ILE HG23 H 1 1.3684 0.0000 . 1 . . . A 13 ILE HG21 . 25573 1 75 . 1 1 13 13 ILE HD11 H 1 0.8656 0.0000 . 1 . . . A 13 ILE HD11 . 25573 1 76 . 1 1 13 13 ILE HD12 H 1 0.8656 0.0000 . 1 . . . A 13 ILE HD11 . 25573 1 77 . 1 1 13 13 ILE HD13 H 1 0.8656 0.0000 . 1 . . . A 13 ILE HD11 . 25573 1 78 . 1 1 13 13 ILE CA C 13 64.5783 0.0000 . 1 . . . A 13 ILE CA . 25573 1 79 . 1 1 13 13 ILE CB C 13 28.9027 0.0000 . 1 . . . A 13 ILE CB . 25573 1 80 . 1 1 13 13 ILE CG2 C 13 14.7945 0.0000 . 1 . . . A 13 ILE CG2 . 25573 1 81 . 1 1 13 13 ILE CD1 C 13 11.0686 0.0000 . 1 . . . A 13 ILE CD1 . 25573 1 82 . 1 1 13 13 ILE N N 15 117.3220 0.0000 . 1 . . . A 13 ILE N . 25573 1 83 . 1 1 15 15 ARG CA C 13 59.9157 0.0000 . 1 . . . A 15 ARG CA . 25573 1 84 . 1 1 16 16 CYS H H 1 7.7988 0.0000 . 1 . . . A 16 CYS H . 25573 1 85 . 1 1 16 16 CYS HA H 1 4.0449 0.0000 . 1 . . . A 16 CYS HA . 25573 1 86 . 1 1 16 16 CYS HB2 H 1 1.9452 0.0000 . 2 . . . A 16 CYS HB2 . 25573 1 87 . 1 1 16 16 CYS CA C 13 59.7844 0.0000 . 1 . . . A 16 CYS CA . 25573 1 88 . 1 1 16 16 CYS CB C 13 28.8101 0.0000 . 1 . . . A 16 CYS CB . 25573 1 89 . 1 1 16 16 CYS N N 15 116.2631 0.0000 . 1 . . . A 16 CYS N . 25573 1 90 . 1 1 17 17 SER H H 1 7.8297 0.0000 . 1 . . . A 17 SER H . 25573 1 91 . 1 1 17 17 SER HA H 1 4.9520 0.0000 . 1 . . . A 17 SER HA . 25573 1 92 . 1 1 17 17 SER HB2 H 1 4.2318 0.0000 . 2 . . . A 17 SER HB2 . 25573 1 93 . 1 1 17 17 SER CA C 13 58.1714 0.0000 . 1 . . . A 17 SER CA . 25573 1 94 . 1 1 17 17 SER CB C 13 60.7400 0.0000 . 1 . . . A 17 SER CB . 25573 1 95 . 1 1 17 17 SER N N 15 114.6064 0.0000 . 1 . . . A 17 SER N . 25573 1 96 . 1 1 18 18 ASN H H 1 7.5567 0.0000 . 1 . . . A 18 ASN H . 25573 1 97 . 1 1 18 18 ASN HA H 1 5.0076 0.0000 . 1 . . . A 18 ASN HA . 25573 1 98 . 1 1 18 18 ASN HB2 H 1 3.0523 0.0000 . 2 . . . A 18 ASN HB2 . 25573 1 99 . 1 1 18 18 ASN HB3 H 1 2.7381 0.0000 . 2 . . . A 18 ASN HB3 . 25573 1 100 . 1 1 18 18 ASN CA C 13 50.4755 0.0000 . 1 . . . A 18 ASN CA . 25573 1 101 . 1 1 18 18 ASN CB C 13 37.2886 0.0000 . 1 . . . A 18 ASN CB . 25573 1 102 . 1 1 18 18 ASN N N 15 116.1429 0.0000 . 1 . . . A 18 ASN N . 25573 1 103 . 1 1 19 19 VAL H H 1 7.9193 0.0000 . 1 . . . A 19 VAL H . 25573 1 104 . 1 1 19 19 VAL HA H 1 3.4993 0.0000 . 1 . . . A 19 VAL HA . 25573 1 105 . 1 1 19 19 VAL HB H 1 2.5222 0.0000 . 1 . . . A 19 VAL HB . 25573 1 106 . 1 1 19 19 VAL HG11 H 1 0.8939 0.0000 . 2 . . . A 19 VAL HG11 . 25573 1 107 . 1 1 19 19 VAL HG12 H 1 0.8939 0.0000 . 2 . . . A 19 VAL HG11 . 25573 1 108 . 1 1 19 19 VAL HG13 H 1 0.8939 0.0000 . 2 . . . A 19 VAL HG11 . 25573 1 109 . 1 1 19 19 VAL HG21 H 1 1.2928 0.0000 . 2 . . . A 19 VAL HG21 . 25573 1 110 . 1 1 19 19 VAL HG22 H 1 1.2928 0.0000 . 2 . . . A 19 VAL HG21 . 25573 1 111 . 1 1 19 19 VAL HG23 H 1 1.2928 0.0000 . 2 . . . A 19 VAL HG21 . 25573 1 112 . 1 1 19 19 VAL CA C 13 59.7303 0.0000 . 1 . . . A 19 VAL CA . 25573 1 113 . 1 1 19 19 VAL CB C 13 29.0422 0.0000 . 1 . . . A 19 VAL CB . 25573 1 114 . 1 1 19 19 VAL CG1 C 13 17.7311 0.0000 . 2 . . . A 19 VAL CG1 . 25573 1 115 . 1 1 19 19 VAL CG2 C 13 19.4589 0.0000 . 2 . . . A 19 VAL CG2 . 25573 1 116 . 1 1 19 19 VAL N N 15 121.6161 0.0000 . 1 . . . A 19 VAL N . 25573 1 117 . 1 1 20 20 ALA H H 1 8.1499 0.0000 . 1 . . . A 20 ALA H . 25573 1 118 . 1 1 20 20 ALA HA H 1 4.7948 0.0000 . 1 . . . A 20 ALA HA . 25573 1 119 . 1 1 20 20 ALA HB1 H 1 1.5327 0.0000 . 1 . . . A 20 ALA HB1 . 25573 1 120 . 1 1 20 20 ALA HB2 H 1 1.5327 0.0000 . 1 . . . A 20 ALA HB1 . 25573 1 121 . 1 1 20 20 ALA HB3 H 1 1.5327 0.0000 . 1 . . . A 20 ALA HB1 . 25573 1 122 . 1 1 20 20 ALA C C 13 169.4998 0.0000 . 1 . . . A 20 ALA C . 25573 1 123 . 1 1 20 20 ALA CA C 13 49.4151 0.0000 . 1 . . . A 20 ALA CA . 25573 1 124 . 1 1 20 20 ALA CB C 13 17.7165 0.0000 . 1 . . . A 20 ALA CB . 25573 1 125 . 1 1 20 20 ALA N N 15 129.1389 0.0000 . 1 . . . A 20 ALA N . 25573 1 126 . 1 1 21 21 VAL H H 1 8.3185 0.0000 . 1 . . . A 21 VAL H . 25573 1 127 . 1 1 21 21 VAL HA H 1 3.7673 0.0000 . 1 . . . A 21 VAL HA . 25573 1 128 . 1 1 21 21 VAL HB H 1 1.7227 0.0000 . 1 . . . A 21 VAL HB . 25573 1 129 . 1 1 21 21 VAL HG11 H 1 1.5254 0.0000 . 2 . . . A 21 VAL HG11 . 25573 1 130 . 1 1 21 21 VAL HG12 H 1 1.5254 0.0000 . 2 . . . A 21 VAL HG11 . 25573 1 131 . 1 1 21 21 VAL HG13 H 1 1.5254 0.0000 . 2 . . . A 21 VAL HG11 . 25573 1 132 . 1 1 21 21 VAL HG21 H 1 1.6152 0.0000 . 2 . . . A 21 VAL HG21 . 25573 1 133 . 1 1 21 21 VAL HG22 H 1 1.6152 0.0000 . 2 . . . A 21 VAL HG21 . 25573 1 134 . 1 1 21 21 VAL HG23 H 1 1.6152 0.0000 . 2 . . . A 21 VAL HG21 . 25573 1 135 . 1 1 21 21 VAL CA C 13 63.5780 0.0000 . 1 . . . A 21 VAL CA . 25573 1 136 . 1 1 21 21 VAL CB C 13 29.7459 0.0000 . 1 . . . A 21 VAL CB . 25573 1 137 . 1 1 21 21 VAL CG1 C 13 17.5987 0.0000 . 2 . . . A 21 VAL CG1 . 25573 1 138 . 1 1 21 21 VAL CG2 C 13 17.0106 0.0000 . 2 . . . A 21 VAL CG2 . 25573 1 139 . 1 1 21 21 VAL N N 15 120.3899 0.0000 . 1 . . . A 21 VAL N . 25573 1 140 . 1 1 22 22 GLY H H 1 8.2211 0.0000 . 1 . . . A 22 GLY H . 25573 1 141 . 1 1 22 22 GLY HA2 H 1 4.1561 0.0000 . 2 . . . A 22 GLY HA2 . 25573 1 142 . 1 1 22 22 GLY HA3 H 1 3.9369 0.0000 . 2 . . . A 22 GLY HA3 . 25573 1 143 . 1 1 22 22 GLY CA C 13 41.9681 0.0000 . 1 . . . A 22 GLY CA . 25573 1 144 . 1 1 22 22 GLY N N 15 108.8837 0.0000 . 1 . . . A 22 GLY N . 25573 1 145 . 1 1 23 23 VAL H H 1 8.0034 0.0000 . 1 . . . A 23 VAL H . 25573 1 146 . 1 1 23 23 VAL HA H 1 4.2378 0.0000 . 1 . . . A 23 VAL HA . 25573 1 147 . 1 1 23 23 VAL HB H 1 2.1174 0.0000 . 1 . . . A 23 VAL HB . 25573 1 148 . 1 1 23 23 VAL HG11 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 149 . 1 1 23 23 VAL HG12 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 150 . 1 1 23 23 VAL HG13 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 151 . 1 1 23 23 VAL HG21 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 152 . 1 1 23 23 VAL HG22 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 153 . 1 1 23 23 VAL HG23 H 1 0.9577 0.0000 . 1 . . . A 23 VAL QQG . 25573 1 154 . 1 1 23 23 VAL CA C 13 59.0882 0.0000 . 1 . . . A 23 VAL CA . 25573 1 155 . 1 1 23 23 VAL CB C 13 30.4336 0.0000 . 1 . . . A 23 VAL CB . 25573 1 156 . 1 1 23 23 VAL CG1 C 13 17.6105 0.0000 . 2 . . . A 23 VAL CG1 . 25573 1 157 . 1 1 23 23 VAL N N 15 117.4392 0.0000 . 1 . . . A 23 VAL N . 25573 1 158 . 1 1 24 24 GLY H H 1 8.7165 0.0000 . 1 . . . A 24 GLY H . 25573 1 159 . 1 1 24 24 GLY HA2 H 1 4.1554 0.0000 . 2 . . . A 24 GLY HA2 . 25573 1 160 . 1 1 24 24 GLY HA3 H 1 3.9046 0.0000 . 2 . . . A 24 GLY HA3 . 25573 1 161 . 1 1 24 24 GLY CA C 13 42.7790 0.0000 . 1 . . . A 24 GLY CA . 25573 1 162 . 1 1 24 24 GLY N N 15 112.6160 0.0000 . 1 . . . A 24 GLY N . 25573 1 163 . 1 1 25 25 GLY H H 1 8.2855 0.0000 . 1 . . . A 25 GLY H . 25573 1 164 . 1 1 25 25 GLY HA2 H 1 4.0336 0.0000 . 2 . . . A 25 GLY HA2 . 25573 1 165 . 1 1 25 25 GLY CA C 13 42.0004 0.0000 . 1 . . . A 25 GLY CA . 25573 1 166 . 1 1 25 25 GLY N N 15 108.7526 0.0000 . 1 . . . A 25 GLY N . 25573 1 167 . 1 1 26 26 LYS HA H 1 4.3759 0.0000 . 1 . . . A 26 LYS HA . 25573 1 168 . 1 1 26 26 LYS CA C 13 53.5118 0.0000 . 1 . . . A 26 LYS CA . 25573 1 169 . 1 1 27 27 SER H H 1 7.8307 0.0000 . 1 . . . A 27 SER H . 25573 1 170 . 1 1 27 27 SER HA H 1 4.9220 0.0000 . 1 . . . A 27 SER HA . 25573 1 171 . 1 1 27 27 SER HB2 H 1 3.5169 0.0000 . 2 . . . A 27 SER HB2 . 25573 1 172 . 1 1 27 27 SER CA C 13 56.8763 0.0000 . 1 . . . A 27 SER CA . 25573 1 173 . 1 1 27 27 SER CB C 13 64.5775 0.0000 . 1 . . . A 27 SER CB . 25573 1 174 . 1 1 28 28 LYS H H 1 8.5887 0.0000 . 1 . . . A 28 LYS H . 25573 1 175 . 1 1 28 28 LYS HA H 1 4.1837 0.0000 . 1 . . . A 28 LYS HA . 25573 1 176 . 1 1 28 28 LYS HB2 H 1 2.2979 0.0000 . 2 . . . A 28 LYS HB2 . 25573 1 177 . 1 1 28 28 LYS CA C 13 56.5387 0.0000 . 1 . . . A 28 LYS CA . 25573 1 178 . 1 1 28 28 LYS CB C 13 33.3661 0.0000 . 1 . . . A 28 LYS CB . 25573 1 179 . 1 1 28 28 LYS CE C 13 39.3390 0.0000 . 1 . . . A 28 LYS CE . 25573 1 180 . 1 1 28 28 LYS N N 15 122.9187 0.0000 . 1 . . . A 28 LYS N . 25573 1 181 . 1 1 29 29 LYS H H 1 8.4708 0.0000 . 1 . . . A 29 LYS H . 25573 1 182 . 1 1 29 29 LYS HA H 1 4.3829 0.0000 . 1 . . . A 29 LYS HA . 25573 1 183 . 1 1 29 29 LYS HB2 H 1 1.7570 0.0000 . 2 . . . A 29 LYS HB2 . 25573 1 184 . 1 1 29 29 LYS CA C 13 53.5351 0.0000 . 1 . . . A 29 LYS CA . 25573 1 185 . 1 1 29 29 LYS CB C 13 32.0761 0.0000 . 1 . . . A 29 LYS CB . 25573 1 186 . 1 1 29 29 LYS CG C 13 22.3995 0.0000 . 1 . . . A 29 LYS CG . 25573 1 187 . 1 1 29 29 LYS N N 15 120.9173 0.0000 . 1 . . . A 29 LYS N . 25573 1 188 . 1 1 30 30 PHE H H 1 7.9995 0.0000 . 1 . . . A 30 PHE H . 25573 1 189 . 1 1 30 30 PHE HA H 1 3.8578 0.0287 . 1 . . . A 30 PHE HA . 25573 1 190 . 1 1 30 30 PHE HB2 H 1 3.1337 0.0000 . 2 . . . A 30 PHE HB2 . 25573 1 191 . 1 1 30 30 PHE HD1 H 1 7.0430 0.0000 . 3 . . . A 30 PHE HD1 . 25573 1 192 . 1 1 30 30 PHE HD2 H 1 7.3431 0.0314 . 3 . . . A 30 PHE HD2 . 25573 1 193 . 1 1 30 30 PHE CA C 13 58.1723 0.0000 . 1 . . . A 30 PHE CA . 25573 1 194 . 1 1 30 30 PHE CB C 13 38.2416 0.0000 . 1 . . . A 30 PHE CB . 25573 1 195 . 1 1 30 30 PHE CD1 C 13 129.1761 0.0000 . 2 . . . A 30 PHE CD1 . 25573 1 196 . 1 1 30 30 PHE CD2 C 13 129.1773 0.0000 . 2 . . . A 30 PHE CD2 . 25573 1 197 . 1 1 30 30 PHE N N 15 119.3661 0.0000 . 1 . . . A 30 PHE N . 25573 1 198 . 1 1 31 31 GLY H H 1 8.4041 0.0000 . 1 . . . A 31 GLY H . 25573 1 199 . 1 1 31 31 GLY HA2 H 1 4.7280 0.0000 . 2 . . . A 31 GLY HA2 . 25573 1 200 . 1 1 31 31 GLY HA3 H 1 3.9558 0.0000 . 2 . . . A 31 GLY HA3 . 25573 1 201 . 1 1 31 31 GLY CA C 13 40.9364 0.0000 . 1 . . . A 31 GLY CA . 25573 1 202 . 1 1 31 31 GLY N N 15 106.9909 0.0000 . 1 . . . A 31 GLY N . 25573 1 203 . 1 1 32 32 GLU H H 1 9.1680 0.0000 . 1 . . . A 32 GLU H . 25573 1 204 . 1 1 32 32 GLU HA H 1 4.1125 0.0000 . 1 . . . A 32 GLU HA . 25573 1 205 . 1 1 32 32 GLU HG2 H 1 2.3688 0.0000 . 2 . . . A 32 GLU HG2 . 25573 1 206 . 1 1 32 32 GLU CA C 13 58.1714 0.0000 . 1 . . . A 32 GLU CA . 25573 1 207 . 1 1 32 32 GLU CB C 13 27.3062 0.0000 . 1 . . . A 32 GLU CB . 25573 1 208 . 1 1 32 32 GLU CG C 13 33.5989 0.0000 . 1 . . . A 32 GLU CG . 25573 1 209 . 1 1 32 32 GLU N N 15 120.4911 0.0000 . 1 . . . A 32 GLU N . 25573 1 210 . 1 1 33 33 GLY H H 1 8.6131 0.0000 . 1 . . . A 33 GLY H . 25573 1 211 . 1 1 33 33 GLY HA2 H 1 3.9723 0.0000 . 2 . . . A 33 GLY HA2 . 25573 1 212 . 1 1 33 33 GLY CA C 13 43.5911 0.0000 . 1 . . . A 33 GLY CA . 25573 1 213 . 1 1 33 33 GLY N N 15 109.2409 0.0000 . 1 . . . A 33 GLY N . 25573 1 214 . 1 1 34 34 ASN H H 1 7.8968 0.0000 . 1 . . . A 34 ASN H . 25573 1 215 . 1 1 34 34 ASN HA H 1 4.0379 0.0000 . 1 . . . A 34 ASN HA . 25573 1 216 . 1 1 34 34 ASN HB2 H 1 2.7321 0.0000 . 2 . . . A 34 ASN HB2 . 25573 1 217 . 1 1 34 34 ASN HD21 H 1 7.1654 0.0000 . 2 . . . A 34 ASN HD21 . 25573 1 218 . 1 1 34 34 ASN HD22 H 1 6.2751 0.0000 . 2 . . . A 34 ASN HD22 . 25573 1 219 . 1 1 34 34 ASN CA C 13 54.4627 0.0000 . 1 . . . A 34 ASN CA . 25573 1 220 . 1 1 34 34 ASN CB C 13 36.3935 0.0000 . 1 . . . A 34 ASN CB . 25573 1 221 . 1 1 34 34 ASN N N 15 118.2411 0.0000 . 1 . . . A 34 ASN N . 25573 1 222 . 1 1 35 35 PHE H H 1 7.1797 0.0000 . 1 . . . A 35 PHE H . 25573 1 223 . 1 1 35 35 PHE HA H 1 4.0879 0.0000 . 1 . . . A 35 PHE HA . 25573 1 224 . 1 1 35 35 PHE HB2 H 1 2.9094 0.0000 . 2 . . . A 35 PHE HB2 . 25573 1 225 . 1 1 35 35 PHE HB3 H 1 2.9337 0.0000 . 2 . . . A 35 PHE HB3 . 25573 1 226 . 1 1 35 35 PHE HD1 H 1 7.1698 0.0386 . 3 . . . A 35 PHE HD1 . 25573 1 227 . 1 1 35 35 PHE HD2 H 1 7.0513 0.0000 . 3 . . . A 35 PHE HD2 . 25573 1 228 . 1 1 35 35 PHE CA C 13 59.3122 0.0000 . 1 . . . A 35 PHE CA . 25573 1 229 . 1 1 35 35 PHE CB C 13 35.8279 0.0000 . 1 . . . A 35 PHE CB . 25573 1 230 . 1 1 35 35 PHE CD1 C 13 129.7725 0.0000 . 2 . . . A 35 PHE CD1 . 25573 1 231 . 1 1 35 35 PHE CD2 C 13 129.9663 0.0000 . 2 . . . A 35 PHE CD2 . 25573 1 232 . 1 1 35 35 PHE N N 15 117.1161 0.0000 . 1 . . . A 35 PHE N . 25573 1 233 . 1 1 36 36 ARG H H 1 8.2779 0.0000 . 1 . . . A 36 ARG H . 25573 1 234 . 1 1 36 36 ARG HA H 1 3.5720 0.0000 . 1 . . . A 36 ARG HA . 25573 1 235 . 1 1 36 36 ARG HB2 H 1 2.9581 0.0000 . 2 . . . A 36 ARG HB2 . 25573 1 236 . 1 1 36 36 ARG HB3 H 1 2.8450 0.0000 . 2 . . . A 36 ARG HB3 . 25573 1 237 . 1 1 36 36 ARG HG2 H 1 1.8627 0.0000 . 2 . . . A 36 ARG HG2 . 25573 1 238 . 1 1 36 36 ARG CA C 13 58.2425 0.0000 . 1 . . . A 36 ARG CA . 25573 1 239 . 1 1 36 36 ARG CB C 13 33.9971 0.0000 . 1 . . . A 36 ARG CB . 25573 1 240 . 1 1 36 36 ARG CG C 13 26.7080 0.0000 . 1 . . . A 36 ARG CG . 25573 1 241 . 1 1 36 36 ARG N N 15 117.8253 0.0000 . 1 . . . A 36 ARG N . 25573 1 242 . 1 1 37 37 TRP H H 1 8.1056 0.0000 . 1 . . . A 37 TRP H . 25573 1 243 . 1 1 37 37 TRP HA H 1 4.1343 0.0000 . 1 . . . A 37 TRP HA . 25573 1 244 . 1 1 37 37 TRP HB2 H 1 3.4551 0.0000 . 2 . . . A 37 TRP HB2 . 25573 1 245 . 1 1 37 37 TRP HD1 H 1 7.3782 0.0000 . 1 . . . A 37 TRP HD1 . 25573 1 246 . 1 1 37 37 TRP HE1 H 1 10.3523 0.0000 . 1 . . . A 37 TRP HE1 . 25573 1 247 . 1 1 37 37 TRP HE3 H 1 7.7964 0.0000 . 1 . . . A 37 TRP HE3 . 25573 1 248 . 1 1 37 37 TRP HZ2 H 1 7.3576 0.0000 . 1 . . . A 37 TRP HZ2 . 25573 1 249 . 1 1 37 37 TRP HH2 H 1 7.6213 0.0000 . 1 . . . A 37 TRP HH2 . 25573 1 250 . 1 1 37 37 TRP CA C 13 58.8999 0.0000 . 1 . . . A 37 TRP CA . 25573 1 251 . 1 1 37 37 TRP CB C 13 27.4493 0.0000 . 1 . . . A 37 TRP CB . 25573 1 252 . 1 1 37 37 TRP CD1 C 13 127.6156 0.0000 . 1 . . . A 37 TRP CD1 . 25573 1 253 . 1 1 37 37 TRP CE3 C 13 117.9946 0.0000 . 1 . . . A 37 TRP CE3 . 25573 1 254 . 1 1 37 37 TRP CZ2 C 13 111.6598 0.0000 . 1 . . . A 37 TRP CZ2 . 25573 1 255 . 1 1 37 37 TRP CH2 C 13 121.7330 0.0000 . 1 . . . A 37 TRP CH2 . 25573 1 256 . 1 1 37 37 TRP N N 15 118.8453 0.0000 . 1 . . . A 37 TRP N . 25573 1 257 . 1 1 37 37 TRP NE1 N 15 130.8203 0.0000 . 1 . . . A 37 TRP NE1 . 25573 1 258 . 1 1 38 38 ALA H H 1 8.3324 0.0000 . 1 . . . A 38 ALA H . 25573 1 259 . 1 1 38 38 ALA HA H 1 4.4291 0.0000 . 1 . . . A 38 ALA HA . 25573 1 260 . 1 1 38 38 ALA HB1 H 1 1.6384 0.0000 . 1 . . . A 38 ALA HB1 . 25573 1 261 . 1 1 38 38 ALA HB2 H 1 1.6384 0.0000 . 1 . . . A 38 ALA HB1 . 25573 1 262 . 1 1 38 38 ALA HB3 H 1 1.6384 0.0000 . 1 . . . A 38 ALA HB1 . 25573 1 263 . 1 1 38 38 ALA CA C 13 52.8937 0.0000 . 1 . . . A 38 ALA CA . 25573 1 264 . 1 1 38 38 ALA CB C 13 16.3995 0.0000 . 1 . . . A 38 ALA CB . 25573 1 265 . 1 1 38 38 ALA N N 15 119.6085 0.0000 . 1 . . . A 38 ALA N . 25573 1 266 . 1 1 39 39 ILE H H 1 8.1609 0.0000 . 1 . . . A 39 ILE H . 25573 1 267 . 1 1 39 39 ILE HA H 1 4.3640 0.0000 . 1 . . . A 39 ILE HA . 25573 1 268 . 1 1 39 39 ILE HB H 1 2.1130 0.0000 . 1 . . . A 39 ILE HB . 25573 1 269 . 1 1 39 39 ILE HG21 H 1 1.1095 0.0000 . 1 . . . A 39 ILE HG21 . 25573 1 270 . 1 1 39 39 ILE HG22 H 1 1.1095 0.0000 . 1 . . . A 39 ILE HG21 . 25573 1 271 . 1 1 39 39 ILE HG23 H 1 1.1095 0.0000 . 1 . . . A 39 ILE HG21 . 25573 1 272 . 1 1 39 39 ILE CA C 13 55.5841 0.0000 . 1 . . . A 39 ILE CA . 25573 1 273 . 1 1 39 39 ILE CB C 13 31.4925 0.0000 . 1 . . . A 39 ILE CB . 25573 1 274 . 1 1 39 39 ILE CG2 C 13 17.3180 0.0000 . 1 . . . A 39 ILE CG2 . 25573 1 275 . 1 1 39 39 ILE N N 15 114.8660 0.0000 . 1 . . . A 39 ILE N . 25573 1 276 . 1 1 40 40 ARG H H 1 8.4460 0.0000 . 1 . . . A 40 ARG H . 25573 1 277 . 1 1 40 40 ARG HA H 1 4.0660 0.0000 . 1 . . . A 40 ARG HA . 25573 1 278 . 1 1 40 40 ARG HB2 H 1 2.6251 0.0000 . 2 . . . A 40 ARG HB2 . 25573 1 279 . 1 1 40 40 ARG HB3 H 1 2.6128 0.0000 . 2 . . . A 40 ARG HB3 . 25573 1 280 . 1 1 40 40 ARG CA C 13 56.6391 0.0000 . 1 . . . A 40 ARG CA . 25573 1 281 . 1 1 40 40 ARG CB C 13 29.8092 0.0000 . 1 . . . A 40 ARG CB . 25573 1 282 . 1 1 40 40 ARG N N 15 120.2396 0.0000 . 1 . . . A 40 ARG N . 25573 1 283 . 1 1 41 41 MET HA H 1 4.3054 0.0000 . 1 . . . A 41 MET HA . 25573 1 284 . 1 1 41 41 MET HB2 H 1 1.9690 0.0000 . 2 . . . A 41 MET HB2 . 25573 1 285 . 1 1 41 41 MET HE1 H 1 1.9311 0.0000 . 1 . . . A 41 MET HE1 . 25573 1 286 . 1 1 41 41 MET HE2 H 1 1.9311 0.0000 . 1 . . . A 41 MET HE1 . 25573 1 287 . 1 1 41 41 MET HE3 H 1 1.9311 0.0000 . 1 . . . A 41 MET HE1 . 25573 1 288 . 1 1 41 41 MET CA C 13 53.5851 0.0000 . 1 . . . A 41 MET CA . 25573 1 289 . 1 1 41 41 MET CB C 13 29.9017 0.0000 . 1 . . . A 41 MET CB . 25573 1 290 . 1 1 41 41 MET CE C 13 17.9328 0.0000 . 1 . . . A 41 MET CE . 25573 1 291 . 1 1 42 42 ALA H H 1 8.5555 0.0000 . 1 . . . A 42 ALA H . 25573 1 292 . 1 1 42 42 ALA HA H 1 4.5475 0.0000 . 1 . . . A 42 ALA HA . 25573 1 293 . 1 1 42 42 ALA CA C 13 52.2764 0.0000 . 1 . . . A 42 ALA CA . 25573 1 294 . 1 1 42 42 ALA CB C 13 16.8604 0.0000 . 1 . . . A 42 ALA CB . 25573 1 295 . 1 1 42 42 ALA N N 15 122.7818 0.0000 . 1 . . . A 42 ALA N . 25573 1 296 . 1 1 43 43 ASN H H 1 8.6134 0.0000 . 1 . . . A 43 ASN H . 25573 1 297 . 1 1 43 43 ASN HA H 1 4.6937 0.0000 . 1 . . . A 43 ASN HA . 25573 1 298 . 1 1 43 43 ASN HB2 H 1 2.9178 0.0000 . 2 . . . A 43 ASN HB2 . 25573 1 299 . 1 1 43 43 ASN HD21 H 1 6.7121 0.0000 . 2 . . . A 43 ASN HD21 . 25573 1 300 . 1 1 43 43 ASN HD22 H 1 6.3027 0.0000 . 2 . . . A 43 ASN HD22 . 25573 1 301 . 1 1 43 43 ASN CA C 13 50.3372 0.0000 . 1 . . . A 43 ASN CA . 25573 1 302 . 1 1 43 43 ASN CB C 13 35.6911 0.0000 . 1 . . . A 43 ASN CB . 25573 1 303 . 1 1 43 43 ASN N N 15 119.3661 0.0000 . 1 . . . A 43 ASN N . 25573 1 304 . 1 1 43 43 ASN ND2 N 15 108.3975 0.0000 . 1 . . . A 43 ASN ND2 . 25573 1 305 . 1 1 44 44 VAL H H 1 8.4638 0.0000 . 1 . . . A 44 VAL H . 25573 1 306 . 1 1 44 44 VAL HA H 1 3.8987 0.0000 . 1 . . . A 44 VAL HA . 25573 1 307 . 1 1 44 44 VAL HB H 1 2.1372 0.0000 . 1 . . . A 44 VAL HB . 25573 1 308 . 1 1 44 44 VAL HG11 H 1 0.9642 0.0000 . 2 . . . A 44 VAL HG11 . 25573 1 309 . 1 1 44 44 VAL HG12 H 1 0.9642 0.0000 . 2 . . . A 44 VAL HG11 . 25573 1 310 . 1 1 44 44 VAL HG13 H 1 0.9642 0.0000 . 2 . . . A 44 VAL HG11 . 25573 1 311 . 1 1 44 44 VAL HG21 H 1 1.0794 0.0000 . 2 . . . A 44 VAL HG21 . 25573 1 312 . 1 1 44 44 VAL HG22 H 1 1.0794 0.0000 . 2 . . . A 44 VAL HG21 . 25573 1 313 . 1 1 44 44 VAL HG23 H 1 1.0794 0.0000 . 2 . . . A 44 VAL HG21 . 25573 1 314 . 1 1 44 44 VAL CA C 13 63.0943 0.0000 . 1 . . . A 44 VAL CA . 25573 1 315 . 1 1 44 44 VAL CB C 13 28.9213 0.0000 . 1 . . . A 44 VAL CB . 25573 1 316 . 1 1 44 44 VAL CG1 C 13 18.5446 0.0000 . 2 . . . A 44 VAL CG1 . 25573 1 317 . 1 1 44 44 VAL CG2 C 13 18.7949 0.0000 . 2 . . . A 44 VAL CG2 . 25573 1 318 . 1 1 44 44 VAL N N 15 118.4661 0.0000 . 1 . . . A 44 VAL N . 25573 1 319 . 1 1 45 45 SER H H 1 7.9631 0.0000 . 1 . . . A 45 SER H . 25573 1 320 . 1 1 45 45 SER HA H 1 4.3277 0.0000 . 1 . . . A 45 SER HA . 25573 1 321 . 1 1 45 45 SER HB2 H 1 3.8599 0.0000 . 2 . . . A 45 SER HB2 . 25573 1 322 . 1 1 45 45 SER CA C 13 58.5531 0.0000 . 1 . . . A 45 SER CA . 25573 1 323 . 1 1 45 45 SER CB C 13 61.3427 0.0000 . 1 . . . A 45 SER CB . 25573 1 324 . 1 1 45 45 SER N N 15 113.7627 0.0000 . 1 . . . A 45 SER N . 25573 1 325 . 1 1 46 46 THR H H 1 7.5599 0.0000 . 1 . . . A 46 THR H . 25573 1 326 . 1 1 46 46 THR HA H 1 4.6017 0.0000 . 1 . . . A 46 THR HA . 25573 1 327 . 1 1 46 46 THR HB H 1 4.4969 0.0000 . 1 . . . A 46 THR HB . 25573 1 328 . 1 1 46 46 THR HG21 H 1 1.1448 0.0000 . 1 . . . A 46 THR HG21 . 25573 1 329 . 1 1 46 46 THR HG22 H 1 1.1448 0.0000 . 1 . . . A 46 THR HG21 . 25573 1 330 . 1 1 46 46 THR HG23 H 1 1.1448 0.0000 . 1 . . . A 46 THR HG21 . 25573 1 331 . 1 1 46 46 THR CA C 13 58.0262 0.0000 . 1 . . . A 46 THR CA . 25573 1 332 . 1 1 46 46 THR CB C 13 67.2852 0.0000 . 1 . . . A 46 THR CB . 25573 1 333 . 1 1 46 46 THR CG2 C 13 18.6144 0.0000 . 1 . . . A 46 THR CG2 . 25573 1 334 . 1 1 46 46 THR N N 15 106.7287 0.0000 . 1 . . . A 46 THR N . 25573 1 335 . 1 1 47 47 GLY H H 1 7.5388 0.0000 . 1 . . . A 47 GLY H . 25573 1 336 . 1 1 47 47 GLY HA2 H 1 4.0610 0.0000 . 2 . . . A 47 GLY HA2 . 25573 1 337 . 1 1 47 47 GLY HA3 H 1 3.7855 0.0000 . 2 . . . A 47 GLY HA3 . 25573 1 338 . 1 1 47 47 GLY CA C 13 43.8090 0.0000 . 1 . . . A 47 GLY CA . 25573 1 339 . 1 1 47 47 GLY N N 15 109.3839 0.0000 . 1 . . . A 47 GLY N . 25573 1 340 . 1 1 48 48 ARG H H 1 8.2195 0.0000 . 1 . . . A 48 ARG H . 25573 1 341 . 1 1 48 48 ARG HA H 1 4.3534 0.0000 . 1 . . . A 48 ARG HA . 25573 1 342 . 1 1 48 48 ARG HG2 H 1 1.8847 0.0000 . 2 . . . A 48 ARG HG2 . 25573 1 343 . 1 1 48 48 ARG CA C 13 52.3390 0.0000 . 1 . . . A 48 ARG CA . 25573 1 344 . 1 1 48 48 ARG CB C 13 29.7597 0.0000 . 1 . . . A 48 ARG CB . 25573 1 345 . 1 1 48 48 ARG CG C 13 26.0568 0.0000 . 1 . . . A 48 ARG CG . 25573 1 346 . 1 1 48 48 ARG N N 15 120.5628 0.0000 . 1 . . . A 48 ARG N . 25573 1 347 . 1 1 49 49 GLU H H 1 8.6609 0.0000 . 1 . . . A 49 GLU H . 25573 1 348 . 1 1 49 49 GLU HA H 1 4.3224 0.0000 . 1 . . . A 49 GLU HA . 25573 1 349 . 1 1 49 49 GLU HB2 H 1 1.9813 0.0000 . 2 . . . A 49 GLU HB2 . 25573 1 350 . 1 1 49 49 GLU HG2 H 1 2.3365 0.0000 . 2 . . . A 49 GLU HG2 . 25573 1 351 . 1 1 49 49 GLU CA C 13 54.1343 0.0000 . 1 . . . A 49 GLU CA . 25573 1 352 . 1 1 49 49 GLU CB C 13 29.1043 0.0000 . 1 . . . A 49 GLU CB . 25573 1 353 . 1 1 49 49 GLU CG C 13 33.5989 0.0000 . 1 . . . A 49 GLU CG . 25573 1 354 . 1 1 49 49 GLU N N 15 122.8740 0.0000 . 1 . . . A 49 GLU N . 25573 1 355 . 1 1 50 50 PRO HG2 H 1 2.1266 0.0000 . 2 . . . A 50 PRO HG2 . 25573 1 356 . 1 1 50 50 PRO HD2 H 1 3.7735 0.0000 . 2 . . . A 50 PRO HD2 . 25573 1 357 . 1 1 50 50 PRO CA C 13 65.8944 0.0000 . 1 . . . A 50 PRO CA . 25573 1 358 . 1 1 50 50 PRO CG C 13 25.2997 0.0000 . 1 . . . A 50 PRO CG . 25573 1 359 . 1 1 50 50 PRO CD C 13 47.6249 0.0000 . 1 . . . A 50 PRO CD . 25573 1 360 . 1 1 51 51 GLY H H 1 8.3677 0.0000 . 1 . . . A 51 GLY H . 25573 1 361 . 1 1 51 51 GLY HA2 H 1 3.9655 0.0000 . 2 . . . A 51 GLY HA2 . 25573 1 362 . 1 1 51 51 GLY HA3 H 1 3.5673 0.0000 . 2 . . . A 51 GLY HA3 . 25573 1 363 . 1 1 51 51 GLY CA C 13 42.0770 0.0000 . 1 . . . A 51 GLY CA . 25573 1 364 . 1 1 51 51 GLY N N 15 102.8589 0.0000 . 1 . . . A 51 GLY N . 25573 1 365 . 1 1 52 52 ASP H H 1 7.2040 0.0000 . 1 . . . A 52 ASP H . 25573 1 366 . 1 1 52 52 ASP HA H 1 4.3796 0.0000 . 1 . . . A 52 ASP HA . 25573 1 367 . 1 1 52 52 ASP HB2 H 1 2.6012 0.0000 . 2 . . . A 52 ASP HB2 . 25573 1 368 . 1 1 52 52 ASP CA C 13 51.6808 0.0000 . 1 . . . A 52 ASP CA . 25573 1 369 . 1 1 52 52 ASP CB C 13 37.8015 0.0000 . 1 . . . A 52 ASP CB . 25573 1 370 . 1 1 52 52 ASP N N 15 120.4912 0.0000 . 1 . . . A 52 ASP N . 25573 1 371 . 1 1 53 53 ILE H H 1 8.2551 0.0000 . 1 . . . A 53 ILE H . 25573 1 372 . 1 1 53 53 ILE HA H 1 4.5297 0.0000 . 1 . . . A 53 ILE HA . 25573 1 373 . 1 1 53 53 ILE HB H 1 1.9645 0.0000 . 1 . . . A 53 ILE HB . 25573 1 374 . 1 1 53 53 ILE HG21 H 1 0.9235 0.0000 . 1 . . . A 53 ILE HG21 . 25573 1 375 . 1 1 53 53 ILE HG22 H 1 0.9235 0.0000 . 1 . . . A 53 ILE HG21 . 25573 1 376 . 1 1 53 53 ILE HG23 H 1 0.9235 0.0000 . 1 . . . A 53 ILE HG21 . 25573 1 377 . 1 1 53 53 ILE HD11 H 1 0.6730 0.0000 . 1 . . . A 53 ILE HD11 . 25573 1 378 . 1 1 53 53 ILE HD12 H 1 0.6730 0.0000 . 1 . . . A 53 ILE HD11 . 25573 1 379 . 1 1 53 53 ILE HD13 H 1 0.6730 0.0000 . 1 . . . A 53 ILE HD11 . 25573 1 380 . 1 1 53 53 ILE CA C 13 54.1274 0.0000 . 1 . . . A 53 ILE CA . 25573 1 381 . 1 1 53 53 ILE CB C 13 35.4949 0.0000 . 1 . . . A 53 ILE CB . 25573 1 382 . 1 1 53 53 ILE CG1 C 13 24.0828 0.0000 . 1 . . . A 53 ILE CG1 . 25573 1 383 . 1 1 53 53 ILE CG2 C 13 14.0088 0.0000 . 1 . . . A 53 ILE CG2 . 25573 1 384 . 1 1 53 53 ILE CD1 C 13 8.2614 0.0000 . 1 . . . A 53 ILE CD1 . 25573 1 385 . 1 1 53 53 ILE N N 15 127.6621 0.0000 . 1 . . . A 53 ILE N . 25573 1 386 . 1 1 54 54 PRO HA H 1 4.4861 0.0000 . 1 . . . A 54 PRO HA . 25573 1 387 . 1 1 54 54 PRO HB2 H 1 2.0735 0.0000 . 2 . . . A 54 PRO HB2 . 25573 1 388 . 1 1 54 54 PRO CA C 13 60.1188 0.0000 . 1 . . . A 54 PRO CA . 25573 1 389 . 1 1 54 54 PRO CB C 13 28.7948 0.0000 . 1 . . . A 54 PRO CB . 25573 1 390 . 1 1 55 55 GLU H H 1 8.5801 0.0000 . 1 . . . A 55 GLU H . 25573 1 391 . 1 1 55 55 GLU HA H 1 4.5060 0.0000 . 1 . . . A 55 GLU HA . 25573 1 392 . 1 1 55 55 GLU HB2 H 1 2.1753 0.0000 . 2 . . . A 55 GLU HB2 . 25573 1 393 . 1 1 55 55 GLU HG2 H 1 2.4354 0.0000 . 2 . . . A 55 GLU HG2 . 25573 1 394 . 1 1 55 55 GLU CA C 13 54.2834 0.0000 . 1 . . . A 55 GLU CA . 25573 1 395 . 1 1 55 55 GLU CB C 13 29.6818 0.0000 . 1 . . . A 55 GLU CB . 25573 1 396 . 1 1 55 55 GLU CG C 13 34.2570 0.0000 . 1 . . . A 55 GLU CG . 25573 1 397 . 1 1 55 55 GLU N N 15 117.1164 0.0000 . 1 . . . A 55 GLU N . 25573 1 398 . 1 1 56 56 THR H H 1 7.3675 0.0000 . 1 . . . A 56 THR H . 25573 1 399 . 1 1 56 56 THR HA H 1 4.8319 0.0000 . 1 . . . A 56 THR HA . 25573 1 400 . 1 1 56 56 THR HB H 1 4.7160 0.0000 . 1 . . . A 56 THR HB . 25573 1 401 . 1 1 56 56 THR HG21 H 1 1.2232 0.0000 . 1 . . . A 56 THR HG21 . 25573 1 402 . 1 1 56 56 THR HG22 H 1 1.2232 0.0000 . 1 . . . A 56 THR HG21 . 25573 1 403 . 1 1 56 56 THR HG23 H 1 1.2232 0.0000 . 1 . . . A 56 THR HG21 . 25573 1 404 . 1 1 56 56 THR CA C 13 55.3810 0.0000 . 1 . . . A 56 THR CA . 25573 1 405 . 1 1 56 56 THR CB C 13 70.7710 0.0000 . 1 . . . A 56 THR CB . 25573 1 406 . 1 1 56 56 THR CG2 C 13 19.1552 0.0000 . 1 . . . A 56 THR CG2 . 25573 1 407 . 1 1 56 56 THR N N 15 105.1218 0.0000 . 1 . . . A 56 THR N . 25573 1 408 . 1 1 57 57 LEU H H 1 9.2223 0.0000 . 1 . . . A 57 LEU H . 25573 1 409 . 1 1 57 57 LEU HA H 1 4.4316 0.0000 . 1 . . . A 57 LEU HA . 25573 1 410 . 1 1 57 57 LEU HB2 H 1 1.8684 0.0000 . 2 . . . A 57 LEU HB2 . 25573 1 411 . 1 1 57 57 LEU HB3 H 1 1.9975 0.0000 . 2 . . . A 57 LEU HB3 . 25573 1 412 . 1 1 57 57 LEU HG H 1 0.9762 0.0000 . 1 . . . A 57 LEU HG . 25573 1 413 . 1 1 57 57 LEU CA C 13 55.4086 0.0000 . 1 . . . A 57 LEU CA . 25573 1 414 . 1 1 57 57 LEU CB C 13 37.8609 0.0000 . 1 . . . A 57 LEU CB . 25573 1 415 . 1 1 57 57 LEU CG C 13 23.3852 0.0000 . 1 . . . A 57 LEU CG . 25573 1 416 . 1 1 57 57 LEU N N 15 122.5645 0.0000 . 1 . . . A 57 LEU N . 25573 1 417 . 1 1 58 58 ASP H H 1 8.5698 0.0000 . 1 . . . A 58 ASP H . 25573 1 418 . 1 1 58 58 ASP HB2 H 1 2.6110 0.0000 . 2 . . . A 58 ASP HB2 . 25573 1 419 . 1 1 58 58 ASP CA C 13 58.2799 0.0000 . 1 . . . A 58 ASP CA . 25573 1 420 . 1 1 58 58 ASP CB C 13 37.3572 0.0000 . 1 . . . A 58 ASP CB . 25573 1 421 . 1 1 58 58 ASP N N 15 119.3661 0.0000 . 1 . . . A 58 ASP N . 25573 1 422 . 1 1 59 59 GLN H H 1 7.8228 0.0000 . 1 . . . A 59 GLN H . 25573 1 423 . 1 1 59 59 GLN HA H 1 4.0318 0.0000 . 1 . . . A 59 GLN HA . 25573 1 424 . 1 1 59 59 GLN HB2 H 1 2.2316 0.0000 . 2 . . . A 59 GLN HB2 . 25573 1 425 . 1 1 59 59 GLN HB3 H 1 2.2558 0.0000 . 2 . . . A 59 GLN HB3 . 25573 1 426 . 1 1 59 59 GLN CA C 13 55.9166 0.0000 . 1 . . . A 59 GLN CA . 25573 1 427 . 1 1 59 59 GLN CB C 13 26.0740 0.0000 . 1 . . . A 59 GLN CB . 25573 1 428 . 1 1 59 59 GLN N N 15 118.2411 0.0000 . 1 . . . A 59 GLN N . 25573 1 429 . 1 1 60 60 LEU H H 1 8.1871 0.0000 . 1 . . . A 60 LEU H . 25573 1 430 . 1 1 60 60 LEU HA H 1 4.0788 0.0000 . 1 . . . A 60 LEU HA . 25573 1 431 . 1 1 60 60 LEU HB2 H 1 4.1281 0.0000 . 2 . . . A 60 LEU HB2 . 25573 1 432 . 1 1 60 60 LEU HG H 1 1.0449 0.0000 . 1 . . . A 60 LEU HG . 25573 1 433 . 1 1 60 60 LEU HD11 H 1 1.0126 0.0000 . 2 . . . A 60 LEU HD11 . 25573 1 434 . 1 1 60 60 LEU HD12 H 1 1.0126 0.0000 . 2 . . . A 60 LEU HD11 . 25573 1 435 . 1 1 60 60 LEU HD13 H 1 1.0126 0.0000 . 2 . . . A 60 LEU HD11 . 25573 1 436 . 1 1 60 60 LEU CA C 13 55.2707 0.0000 . 1 . . . A 60 LEU CA . 25573 1 437 . 1 1 60 60 LEU CB C 13 47.6367 0.0000 . 1 . . . A 60 LEU CB . 25573 1 438 . 1 1 60 60 LEU CG C 13 20.9601 0.0000 . 1 . . . A 60 LEU CG . 25573 1 439 . 1 1 60 60 LEU CD1 C 13 21.0376 0.0000 . 2 . . . A 60 LEU CD1 . 25573 1 440 . 1 1 60 60 LEU N N 15 121.6911 0.0000 . 1 . . . A 60 LEU N . 25573 1 441 . 1 1 61 61 ARG H H 1 9.1331 0.0000 . 1 . . . A 61 ARG H . 25573 1 442 . 1 1 61 61 ARG HA H 1 4.0655 0.0000 . 1 . . . A 61 ARG HA . 25573 1 443 . 1 1 61 61 ARG HB2 H 1 2.2397 0.0000 . 2 . . . A 61 ARG HB2 . 25573 1 444 . 1 1 61 61 ARG CA C 13 56.1817 0.0000 . 1 . . . A 61 ARG CA . 25573 1 445 . 1 1 61 61 ARG CB C 13 28.9159 0.0000 . 1 . . . A 61 ARG CB . 25573 1 446 . 1 1 61 61 ARG N N 15 117.9597 0.0000 . 1 . . . A 61 ARG N . 25573 1 447 . 1 1 62 62 LEU H H 1 7.8175 0.0000 . 1 . . . A 62 LEU H . 25573 1 448 . 1 1 62 62 LEU HA H 1 4.0259 0.0000 . 1 . . . A 62 LEU HA . 25573 1 449 . 1 1 62 62 LEU HB2 H 1 1.9804 0.0000 . 2 . . . A 62 LEU HB2 . 25573 1 450 . 1 1 62 62 LEU HB3 H 1 1.5604 0.0000 . 2 . . . A 62 LEU HB3 . 25573 1 451 . 1 1 62 62 LEU HG H 1 1.0835 0.0000 . 1 . . . A 62 LEU HG . 25573 1 452 . 1 1 62 62 LEU HD11 H 1 1.1775 0.0000 . 2 . . . A 62 LEU HD11 . 25573 1 453 . 1 1 62 62 LEU HD12 H 1 1.1775 0.0000 . 2 . . . A 62 LEU HD11 . 25573 1 454 . 1 1 62 62 LEU HD13 H 1 1.1775 0.0000 . 2 . . . A 62 LEU HD11 . 25573 1 455 . 1 1 62 62 LEU HD21 H 1 1.1740 0.0000 . 2 . . . A 62 LEU HD21 . 25573 1 456 . 1 1 62 62 LEU HD22 H 1 1.1740 0.0000 . 2 . . . A 62 LEU HD21 . 25573 1 457 . 1 1 62 62 LEU HD23 H 1 1.1740 0.0000 . 2 . . . A 62 LEU HD21 . 25573 1 458 . 1 1 62 62 LEU CA C 13 56.0803 0.0000 . 1 . . . A 62 LEU CA . 25573 1 459 . 1 1 62 62 LEU CB C 13 38.3636 0.0000 . 1 . . . A 62 LEU CB . 25573 1 460 . 1 1 62 62 LEU CG C 13 21.3157 0.0000 . 1 . . . A 62 LEU CG . 25573 1 461 . 1 1 62 62 LEU CD1 C 13 18.6875 0.0000 . 2 . . . A 62 LEU CD1 . 25573 1 462 . 1 1 62 62 LEU CD2 C 13 18.7968 0.0000 . 2 . . . A 62 LEU CD2 . 25573 1 463 . 1 1 62 62 LEU N N 15 118.4079 0.0000 . 1 . . . A 62 LEU N . 25573 1 464 . 1 1 63 63 VAL H H 1 7.3682 0.0000 . 1 . . . A 63 VAL H . 25573 1 465 . 1 1 63 63 VAL HA H 1 3.5369 0.0000 . 1 . . . A 63 VAL HA . 25573 1 466 . 1 1 63 63 VAL HB H 1 2.2936 0.0000 . 1 . . . A 63 VAL HB . 25573 1 467 . 1 1 63 63 VAL HG21 H 1 0.9965 0.0000 . 2 . . . A 63 VAL HG21 . 25573 1 468 . 1 1 63 63 VAL HG22 H 1 0.9965 0.0000 . 2 . . . A 63 VAL HG21 . 25573 1 469 . 1 1 63 63 VAL HG23 H 1 0.9965 0.0000 . 2 . . . A 63 VAL HG21 . 25573 1 470 . 1 1 63 63 VAL CA C 13 64.5006 0.0000 . 1 . . . A 63 VAL CA . 25573 1 471 . 1 1 63 63 VAL CB C 13 28.8842 0.0000 . 1 . . . A 63 VAL CB . 25573 1 472 . 1 1 63 63 VAL CG2 C 13 19.5495 0.0000 . 2 . . . A 63 VAL CG2 . 25573 1 473 . 1 1 63 63 VAL N N 15 119.1772 0.0000 . 1 . . . A 63 VAL N . 25573 1 474 . 1 1 64 64 ILE H H 1 8.3205 0.0000 . 1 . . . A 64 ILE H . 25573 1 475 . 1 1 64 64 ILE HA H 1 3.5405 0.0000 . 1 . . . A 64 ILE HA . 25573 1 476 . 1 1 64 64 ILE HB H 1 1.8793 0.0000 . 1 . . . A 64 ILE HB . 25573 1 477 . 1 1 64 64 ILE HD11 H 1 0.6601 0.0000 . 1 . . . A 64 ILE HD11 . 25573 1 478 . 1 1 64 64 ILE HD12 H 1 0.6601 0.0000 . 1 . . . A 64 ILE HD11 . 25573 1 479 . 1 1 64 64 ILE HD13 H 1 0.6601 0.0000 . 1 . . . A 64 ILE HD11 . 25573 1 480 . 1 1 64 64 ILE CA C 13 64.4813 0.0000 . 1 . . . A 64 ILE CA . 25573 1 481 . 1 1 64 64 ILE CB C 13 34.7123 0.0000 . 1 . . . A 64 ILE CB . 25573 1 482 . 1 1 64 64 ILE CD1 C 13 10.1770 0.0000 . 1 . . . A 64 ILE CD1 . 25573 1 483 . 1 1 64 64 ILE N N 15 119.0681 0.0000 . 1 . . . A 64 ILE N . 25573 1 484 . 1 1 65 65 CYS H H 1 9.0760 0.0000 . 1 . . . A 65 CYS H . 25573 1 485 . 1 1 65 65 CYS HA H 1 4.3302 0.0000 . 1 . . . A 65 CYS HA . 25573 1 486 . 1 1 65 65 CYS HB2 H 1 3.0689 0.0000 . 2 . . . A 65 CYS HB2 . 25573 1 487 . 1 1 65 65 CYS HB3 H 1 3.0953 0.0000 . 2 . . . A 65 CYS HB3 . 25573 1 488 . 1 1 65 65 CYS CA C 13 60.9081 0.0000 . 1 . . . A 65 CYS CA . 25573 1 489 . 1 1 65 65 CYS CB C 13 23.8917 0.0000 . 1 . . . A 65 CYS CB . 25573 1 490 . 1 1 65 65 CYS N N 15 119.1311 0.0000 . 1 . . . A 65 CYS N . 25573 1 491 . 1 1 66 66 ASP H H 1 8.5120 0.0000 . 1 . . . A 66 ASP H . 25573 1 492 . 1 1 66 66 ASP HA H 1 4.3119 0.0000 . 1 . . . A 66 ASP HA . 25573 1 493 . 1 1 66 66 ASP HB2 H 1 2.7412 0.0000 . 2 . . . A 66 ASP HB2 . 25573 1 494 . 1 1 66 66 ASP CA C 13 57.7642 0.0000 . 1 . . . A 66 ASP CA . 25573 1 495 . 1 1 66 66 ASP CB C 13 38.1849 0.0000 . 1 . . . A 66 ASP CB . 25573 1 496 . 1 1 66 66 ASP N N 15 120.5365 0.0000 . 1 . . . A 66 ASP N . 25573 1 497 . 1 1 67 67 LEU H H 1 8.9709 0.0000 . 1 . . . A 67 LEU H . 25573 1 498 . 1 1 67 67 LEU HA H 1 3.9701 0.0000 . 1 . . . A 67 LEU HA . 25573 1 499 . 1 1 67 67 LEU HB2 H 1 2.6594 0.0000 . 2 . . . A 67 LEU HB2 . 25573 1 500 . 1 1 67 67 LEU HB3 H 1 2.3204 0.0000 . 2 . . . A 67 LEU HB3 . 25573 1 501 . 1 1 67 67 LEU HG H 1 0.8835 0.0000 . 1 . . . A 67 LEU HG . 25573 1 502 . 1 1 67 67 LEU HD21 H 1 0.8690 0.0000 . 2 . . . A 67 LEU HD21 . 25573 1 503 . 1 1 67 67 LEU HD22 H 1 0.8690 0.0000 . 2 . . . A 67 LEU HD21 . 25573 1 504 . 1 1 67 67 LEU HD23 H 1 0.8690 0.0000 . 2 . . . A 67 LEU HD21 . 25573 1 505 . 1 1 67 67 LEU CA C 13 56.9857 0.0000 . 1 . . . A 67 LEU CA . 25573 1 506 . 1 1 67 67 LEU CB C 13 32.7464 0.0000 . 1 . . . A 67 LEU CB . 25573 1 507 . 1 1 67 67 LEU CG C 13 22.3550 0.0000 . 1 . . . A 67 LEU CG . 25573 1 508 . 1 1 67 67 LEU CD2 C 13 22.2966 0.0000 . 2 . . . A 67 LEU CD2 . 25573 1 509 . 1 1 67 67 LEU N N 15 119.3636 0.0000 . 1 . . . A 67 LEU N . 25573 1 510 . 1 1 69 69 GLU HA H 1 4.4289 0.0000 . 1 . . . A 69 GLU HA . 25573 1 511 . 1 1 69 69 GLU CA C 13 55.7649 0.0000 . 1 . . . A 69 GLU CA . 25573 1 512 . 1 1 69 69 GLU CB C 13 29.8009 0.0000 . 1 . . . A 69 GLU CB . 25573 1 513 . 1 1 70 70 ARG H H 1 8.3445 0.0000 . 1 . . . A 70 ARG H . 25573 1 514 . 1 1 70 70 ARG HA H 1 4.4858 0.0000 . 1 . . . A 70 ARG HA . 25573 1 515 . 1 1 70 70 ARG HB2 H 1 1.7970 0.0000 . 2 . . . A 70 ARG HB2 . 25573 1 516 . 1 1 70 70 ARG CA C 13 52.5326 0.0000 . 1 . . . A 70 ARG CA . 25573 1 517 . 1 1 70 70 ARG CB C 13 30.3410 0.0000 . 1 . . . A 70 ARG CB . 25573 1 518 . 1 1 70 70 ARG N N 15 122.1865 0.0000 . 1 . . . A 70 ARG N . 25573 1 519 . 1 1 71 71 ARG H H 1 8.4802 0.0000 . 1 . . . A 71 ARG H . 25573 1 520 . 1 1 71 71 ARG HA H 1 2.6236 0.0000 . 1 . . . A 71 ARG HA . 25573 1 521 . 1 1 71 71 ARG CA C 13 54.1787 0.0000 . 1 . . . A 71 ARG CA . 25573 1 522 . 1 1 71 71 ARG CB C 13 30.0072 0.0000 . 1 . . . A 71 ARG CB . 25573 1 523 . 1 1 71 71 ARG N N 15 121.6161 0.0000 . 1 . . . A 71 ARG N . 25573 1 524 . 1 1 73 73 LYS HA H 1 4.0716 0.0000 . 1 . . . A 73 LYS HA . 25573 1 525 . 1 1 73 73 LYS HB2 H 1 1.2052 0.0000 . 2 . . . A 73 LYS HB2 . 25573 1 526 . 1 1 73 73 LYS CA C 13 55.9756 0.0000 . 1 . . . A 73 LYS CA . 25573 1 527 . 1 1 73 73 LYS CB C 13 30.7519 0.0000 . 1 . . . A 73 LYS CB . 25573 1 528 . 1 1 74 74 PHE H H 1 8.5302 0.0000 . 1 . . . A 74 PHE H . 25573 1 529 . 1 1 74 74 PHE HA H 1 4.8223 0.0000 . 1 . . . A 74 PHE HA . 25573 1 530 . 1 1 74 74 PHE HB2 H 1 3.4601 0.0000 . 2 . . . A 74 PHE HB2 . 25573 1 531 . 1 1 74 74 PHE HB3 H 1 2.9904 0.0000 . 2 . . . A 74 PHE HB3 . 25573 1 532 . 1 1 74 74 PHE HD2 H 1 7.3605 0.0000 . 3 . . . A 74 PHE HD2 . 25573 1 533 . 1 1 74 74 PHE CA C 13 55.1207 0.0000 . 1 . . . A 74 PHE CA . 25573 1 534 . 1 1 74 74 PHE CB C 13 37.5875 0.0000 . 1 . . . A 74 PHE CB . 25573 1 535 . 1 1 74 74 PHE CD2 C 13 129.1684 0.0000 . 2 . . . A 74 PHE CD2 . 25573 1 536 . 1 1 74 74 PHE N N 15 115.0013 0.0000 . 1 . . . A 74 PHE N . 25573 1 537 . 1 1 75 75 GLY H H 1 7.7990 0.0000 . 1 . . . A 75 GLY H . 25573 1 538 . 1 1 75 75 GLY HA2 H 1 4.5693 0.0000 . 2 . . . A 75 GLY HA2 . 25573 1 539 . 1 1 75 75 GLY HA3 H 1 3.8961 0.0000 . 2 . . . A 75 GLY HA3 . 25573 1 540 . 1 1 75 75 GLY CA C 13 42.0035 0.0000 . 1 . . . A 75 GLY CA . 25573 1 541 . 1 1 75 75 GLY N N 15 110.3660 0.0000 . 1 . . . A 75 GLY N . 25573 1 542 . 1 1 76 76 SER H H 1 8.4172 0.0000 . 1 . . . A 76 SER H . 25573 1 543 . 1 1 76 76 SER HA H 1 4.5229 0.0000 . 1 . . . A 76 SER HA . 25573 1 544 . 1 1 76 76 SER HB2 H 1 3.8479 0.0000 . 2 . . . A 76 SER HB2 . 25573 1 545 . 1 1 76 76 SER HB3 H 1 3.8474 0.0000 . 2 . . . A 76 SER HB3 . 25573 1 546 . 1 1 76 76 SER CA C 13 54.3607 0.0000 . 1 . . . A 76 SER CA . 25573 1 547 . 1 1 76 76 SER CB C 13 61.8872 0.0000 . 1 . . . A 76 SER CB . 25573 1 548 . 1 1 76 76 SER N N 15 113.2831 0.0000 . 1 . . . A 76 SER N . 25573 1 549 . 1 1 77 77 SER H H 1 8.4277 0.0000 . 1 . . . A 77 SER H . 25573 1 550 . 1 1 77 77 SER HA H 1 4.5352 0.0000 . 1 . . . A 77 SER HA . 25573 1 551 . 1 1 77 77 SER HB2 H 1 4.1359 0.0000 . 2 . . . A 77 SER HB2 . 25573 1 552 . 1 1 77 77 SER CA C 13 53.8326 0.0000 . 1 . . . A 77 SER CA . 25573 1 553 . 1 1 77 77 SER CB C 13 63.4878 0.0000 . 1 . . . A 77 SER CB . 25573 1 554 . 1 1 77 77 SER N N 15 114.9502 0.0000 . 1 . . . A 77 SER N . 25573 1 555 . 1 1 78 78 LYS H H 1 9.0443 0.0000 . 1 . . . A 78 LYS H . 25573 1 556 . 1 1 78 78 LYS HA H 1 4.6755 0.0000 . 1 . . . A 78 LYS HA . 25573 1 557 . 1 1 78 78 LYS HB2 H 1 1.9202 0.0000 . 2 . . . A 78 LYS HB2 . 25573 1 558 . 1 1 78 78 LYS CA C 13 54.1274 0.0000 . 1 . . . A 78 LYS CA . 25573 1 559 . 1 1 78 78 LYS CB C 13 29.2346 0.0000 . 1 . . . A 78 LYS CB . 25573 1 560 . 1 1 78 78 LYS N N 15 122.0324 0.0000 . 1 . . . A 78 LYS N . 25573 1 561 . 1 1 79 79 GLU H H 1 8.7954 0.0000 . 1 . . . A 79 GLU H . 25573 1 562 . 1 1 79 79 GLU HA H 1 4.2915 0.0000 . 1 . . . A 79 GLU HA . 25573 1 563 . 1 1 79 79 GLU HB2 H 1 2.2125 0.0000 . 2 . . . A 79 GLU HB2 . 25573 1 564 . 1 1 79 79 GLU HG2 H 1 2.5589 0.0000 . 2 . . . A 79 GLU HG2 . 25573 1 565 . 1 1 79 79 GLU CA C 13 58.1042 0.0000 . 1 . . . A 79 GLU CA . 25573 1 566 . 1 1 79 79 GLU CB C 13 26.8458 0.0000 . 1 . . . A 79 GLU CB . 25573 1 567 . 1 1 79 79 GLU CG C 13 35.2063 0.0000 . 1 . . . A 79 GLU CG . 25573 1 568 . 1 1 79 79 GLU N N 15 118.2320 0.0000 . 1 . . . A 79 GLU N . 25573 1 569 . 1 1 80 80 ILE H H 1 7.8919 0.0000 . 1 . . . A 80 ILE H . 25573 1 570 . 1 1 80 80 ILE HA H 1 3.7294 0.0000 . 1 . . . A 80 ILE HA . 25573 1 571 . 1 1 80 80 ILE HB H 1 1.6434 0.0000 . 1 . . . A 80 ILE HB . 25573 1 572 . 1 1 80 80 ILE HG12 H 1 1.0332 0.0000 . 2 . . . A 80 ILE HG12 . 25573 1 573 . 1 1 80 80 ILE HG13 H 1 1.5322 0.0000 . 2 . . . A 80 ILE HG13 . 25573 1 574 . 1 1 80 80 ILE HG21 H 1 0.9959 0.0000 . 1 . . . A 80 ILE HG21 . 25573 1 575 . 1 1 80 80 ILE HG22 H 1 0.9959 0.0000 . 1 . . . A 80 ILE HG21 . 25573 1 576 . 1 1 80 80 ILE HG23 H 1 0.9959 0.0000 . 1 . . . A 80 ILE HG21 . 25573 1 577 . 1 1 80 80 ILE HD11 H 1 0.8769 0.0000 . 1 . . . A 80 ILE HD11 . 25573 1 578 . 1 1 80 80 ILE HD12 H 1 0.8769 0.0000 . 1 . . . A 80 ILE HD11 . 25573 1 579 . 1 1 80 80 ILE HD13 H 1 0.8769 0.0000 . 1 . . . A 80 ILE HD11 . 25573 1 580 . 1 1 80 80 ILE CA C 13 62.4659 0.0000 . 1 . . . A 80 ILE CA . 25573 1 581 . 1 1 80 80 ILE CB C 13 36.1086 0.0000 . 1 . . . A 80 ILE CB . 25573 1 582 . 1 1 80 80 ILE CG1 C 13 34.5150 0.0000 . 1 . . . A 80 ILE CG1 . 25573 1 583 . 1 1 80 80 ILE CG2 C 13 14.8915 0.0000 . 1 . . . A 80 ILE CG2 . 25573 1 584 . 1 1 80 80 ILE CD1 C 13 9.1959 0.0000 . 1 . . . A 80 ILE CD1 . 25573 1 585 . 1 1 80 80 ILE N N 15 120.4911 0.0000 . 1 . . . A 80 ILE N . 25573 1 586 . 1 1 81 81 ASP H H 1 8.4237 0.0000 . 1 . . . A 81 ASP H . 25573 1 587 . 1 1 81 81 ASP HA H 1 4.3062 0.0000 . 1 . . . A 81 ASP HA . 25573 1 588 . 1 1 81 81 ASP HB2 H 1 2.6826 0.0000 . 2 . . . A 81 ASP HB2 . 25573 1 589 . 1 1 81 81 ASP HB3 H 1 2.6594 0.0000 . 2 . . . A 81 ASP HB3 . 25573 1 590 . 1 1 81 81 ASP CA C 13 55.3742 0.0000 . 1 . . . A 81 ASP CA . 25573 1 591 . 1 1 81 81 ASP CB C 13 37.3764 0.0000 . 1 . . . A 81 ASP CB . 25573 1 592 . 1 1 81 81 ASP N N 15 120.4911 0.0000 . 1 . . . A 81 ASP N . 25573 1 593 . 1 1 82 82 MET H H 1 8.2153 0.0000 . 1 . . . A 82 MET H . 25573 1 594 . 1 1 82 82 MET HA H 1 4.6097 0.0000 . 1 . . . A 82 MET HA . 25573 1 595 . 1 1 82 82 MET HB2 H 1 2.4513 0.0000 . 2 . . . A 82 MET HB2 . 25573 1 596 . 1 1 82 82 MET HB3 H 1 2.4786 0.0000 . 2 . . . A 82 MET HB3 . 25573 1 597 . 1 1 82 82 MET CA C 13 54.4723 0.0000 . 1 . . . A 82 MET CA . 25573 1 598 . 1 1 82 82 MET CB C 13 29.5568 0.0000 . 1 . . . A 82 MET CB . 25573 1 599 . 1 1 82 82 MET N N 15 118.5880 0.0000 . 1 . . . A 82 MET N . 25573 1 600 . 1 1 83 83 ALA H H 1 10.1653 0.0000 . 1 . . . A 83 ALA H . 25573 1 601 . 1 1 83 83 ALA HA H 1 4.0986 0.0000 . 1 . . . A 83 ALA HA . 25573 1 602 . 1 1 83 83 ALA HB1 H 1 1.3756 0.0000 . 1 . . . A 83 ALA HB1 . 25573 1 603 . 1 1 83 83 ALA HB2 H 1 1.3756 0.0000 . 1 . . . A 83 ALA HB1 . 25573 1 604 . 1 1 83 83 ALA HB3 H 1 1.3756 0.0000 . 1 . . . A 83 ALA HB1 . 25573 1 605 . 1 1 83 83 ALA CA C 13 53.9084 0.0000 . 1 . . . A 83 ALA CA . 25573 1 606 . 1 1 83 83 ALA CB C 13 14.8098 0.0000 . 1 . . . A 83 ALA CB . 25573 1 607 . 1 1 83 83 ALA N N 15 127.5251 0.0000 . 1 . . . A 83 ALA N . 25573 1 608 . 1 1 84 84 ILE H H 1 8.4370 0.0000 . 1 . . . A 84 ILE H . 25573 1 609 . 1 1 84 84 ILE HA H 1 3.5335 0.0000 . 1 . . . A 84 ILE HA . 25573 1 610 . 1 1 84 84 ILE HB H 1 2.0075 0.0000 . 1 . . . A 84 ILE HB . 25573 1 611 . 1 1 84 84 ILE HG12 H 1 1.5688 0.0000 . 2 . . . A 84 ILE HG12 . 25573 1 612 . 1 1 84 84 ILE HG21 H 1 0.9319 0.0000 . 1 . . . A 84 ILE HG21 . 25573 1 613 . 1 1 84 84 ILE HG22 H 1 0.9319 0.0000 . 1 . . . A 84 ILE HG21 . 25573 1 614 . 1 1 84 84 ILE HG23 H 1 0.9319 0.0000 . 1 . . . A 84 ILE HG21 . 25573 1 615 . 1 1 84 84 ILE HD11 H 1 0.9021 0.0000 . 1 . . . A 84 ILE HD11 . 25573 1 616 . 1 1 84 84 ILE HD12 H 1 0.9021 0.0000 . 1 . . . A 84 ILE HD11 . 25573 1 617 . 1 1 84 84 ILE HD13 H 1 0.9021 0.0000 . 1 . . . A 84 ILE HD11 . 25573 1 618 . 1 1 84 84 ILE CA C 13 64.3768 0.0000 . 1 . . . A 84 ILE CA . 25573 1 619 . 1 1 84 84 ILE CB C 13 35.4171 0.0000 . 1 . . . A 84 ILE CB . 25573 1 620 . 1 1 84 84 ILE CG1 C 13 20.2952 0.0000 . 1 . . . A 84 ILE CG1 . 25573 1 621 . 1 1 84 84 ILE CG2 C 13 15.6748 0.0000 . 1 . . . A 84 ILE CG2 . 25573 1 622 . 1 1 84 84 ILE CD1 C 13 11.1590 0.0000 . 1 . . . A 84 ILE CD1 . 25573 1 623 . 1 1 84 84 ILE N N 15 115.9682 0.0000 . 1 . . . A 84 ILE N . 25573 1 624 . 1 1 85 85 VAL H H 1 7.8354 0.0000 . 1 . . . A 85 VAL H . 25573 1 625 . 1 1 85 85 VAL HA H 1 4.0448 0.0000 . 1 . . . A 85 VAL HA . 25573 1 626 . 1 1 85 85 VAL HB H 1 2.2754 0.0000 . 1 . . . A 85 VAL HB . 25573 1 627 . 1 1 85 85 VAL HG11 H 1 1.1969 0.0000 . 2 . . . A 85 VAL HG11 . 25573 1 628 . 1 1 85 85 VAL HG12 H 1 1.1969 0.0000 . 2 . . . A 85 VAL HG11 . 25573 1 629 . 1 1 85 85 VAL HG13 H 1 1.1969 0.0000 . 2 . . . A 85 VAL HG11 . 25573 1 630 . 1 1 85 85 VAL CA C 13 55.9252 0.0000 . 1 . . . A 85 VAL CA . 25573 1 631 . 1 1 85 85 VAL CB C 13 29.1850 0.0000 . 1 . . . A 85 VAL CB . 25573 1 632 . 1 1 85 85 VAL CG1 C 13 18.6100 0.0000 . 2 . . . A 85 VAL CG1 . 25573 1 633 . 1 1 85 85 VAL N N 15 117.1059 0.0000 . 1 . . . A 85 VAL N . 25573 1 634 . 1 1 86 86 THR H H 1 8.2542 0.0000 . 1 . . . A 86 THR H . 25573 1 635 . 1 1 86 86 THR HA H 1 4.1810 0.0000 . 1 . . . A 86 THR HA . 25573 1 636 . 1 1 86 86 THR HB H 1 4.2187 0.0000 . 1 . . . A 86 THR HB . 25573 1 637 . 1 1 86 86 THR HG21 H 1 1.0148 0.0000 . 1 . . . A 86 THR HG21 . 25573 1 638 . 1 1 86 86 THR HG22 H 1 1.0148 0.0000 . 1 . . . A 86 THR HG21 . 25573 1 639 . 1 1 86 86 THR HG23 H 1 1.0148 0.0000 . 1 . . . A 86 THR HG21 . 25573 1 640 . 1 1 86 86 THR CA C 13 59.6268 0.0000 . 1 . . . A 86 THR CA . 25573 1 641 . 1 1 86 86 THR CB C 13 65.8560 0.0000 . 1 . . . A 86 THR CB . 25573 1 642 . 1 1 86 86 THR CG2 C 13 20.0399 0.0000 . 1 . . . A 86 THR CG2 . 25573 1 643 . 1 1 86 86 THR N N 15 116.6734 0.0000 . 1 . . . A 86 THR N . 25573 1 644 . 1 1 87 87 LEU H H 1 7.9135 0.0000 . 1 . . . A 87 LEU H . 25573 1 645 . 1 1 87 87 LEU HA H 1 4.5818 0.0000 . 1 . . . A 87 LEU HA . 25573 1 646 . 1 1 87 87 LEU HB2 H 1 2.1244 0.0000 . 2 . . . A 87 LEU HB2 . 25573 1 647 . 1 1 87 87 LEU HG H 1 1.1310 0.0000 . 1 . . . A 87 LEU HG . 25573 1 648 . 1 1 87 87 LEU HD11 H 1 0.9629 0.0000 . 2 . . . A 87 LEU HD11 . 25573 1 649 . 1 1 87 87 LEU HD12 H 1 0.9629 0.0000 . 2 . . . A 87 LEU HD11 . 25573 1 650 . 1 1 87 87 LEU HD13 H 1 0.9629 0.0000 . 2 . . . A 87 LEU HD11 . 25573 1 651 . 1 1 87 87 LEU HD21 H 1 1.1934 0.0000 . 2 . . . A 87 LEU HD21 . 25573 1 652 . 1 1 87 87 LEU HD22 H 1 1.1934 0.0000 . 2 . . . A 87 LEU HD21 . 25573 1 653 . 1 1 87 87 LEU HD23 H 1 1.1934 0.0000 . 2 . . . A 87 LEU HD21 . 25573 1 654 . 1 1 87 87 LEU CA C 13 56.8557 0.0000 . 1 . . . A 87 LEU CA . 25573 1 655 . 1 1 87 87 LEU CB C 13 31.8250 0.0000 . 1 . . . A 87 LEU CB . 25573 1 656 . 1 1 87 87 LEU CG C 13 19.5514 0.0000 . 1 . . . A 87 LEU CG . 25573 1 657 . 1 1 87 87 LEU CD1 C 13 17.3535 0.0000 . 2 . . . A 87 LEU CD1 . 25573 1 658 . 1 1 87 87 LEU CD2 C 13 18.5487 0.0000 . 2 . . . A 87 LEU CD2 . 25573 1 659 . 1 1 87 87 LEU N N 15 121.4471 0.0000 . 1 . . . A 87 LEU N . 25573 1 660 . 1 1 88 88 LYS H H 1 7.9696 0.0000 . 1 . . . A 88 LYS H . 25573 1 661 . 1 1 88 88 LYS HA H 1 4.1413 0.0000 . 1 . . . A 88 LYS HA . 25573 1 662 . 1 1 88 88 LYS HB2 H 1 1.8541 0.0000 . 2 . . . A 88 LYS HB2 . 25573 1 663 . 1 1 88 88 LYS CA C 13 56.0696 0.0000 . 1 . . . A 88 LYS CA . 25573 1 664 . 1 1 88 88 LYS CB C 13 29.8868 0.0000 . 1 . . . A 88 LYS CB . 25573 1 665 . 1 1 88 88 LYS N N 15 119.5052 0.0000 . 1 . . . A 88 LYS N . 25573 1 666 . 1 1 89 89 VAL H H 1 8.0821 0.0000 . 1 . . . A 89 VAL H . 25573 1 667 . 1 1 89 89 VAL HA H 1 3.8201 0.0000 . 1 . . . A 89 VAL HA . 25573 1 668 . 1 1 89 89 VAL HG11 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 669 . 1 1 89 89 VAL HG12 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 670 . 1 1 89 89 VAL HG13 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 671 . 1 1 89 89 VAL HG21 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 672 . 1 1 89 89 VAL HG22 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 673 . 1 1 89 89 VAL HG23 H 1 1.3839 0.0000 . 1 . . . A 89 VAL QQG . 25573 1 674 . 1 1 89 89 VAL CA C 13 56.9558 0.0000 . 1 . . . A 89 VAL CA . 25573 1 675 . 1 1 89 89 VAL CG1 C 13 16.8099 0.0000 . 2 . . . A 89 VAL CG1 . 25573 1 676 . 1 1 89 89 VAL CG2 C 13 19.7977 0.0000 . 2 . . . A 89 VAL CG2 . 25573 1 677 . 1 1 89 89 VAL N N 15 119.3661 0.0000 . 1 . . . A 89 VAL N . 25573 1 678 . 1 1 90 90 PHE H H 1 8.1036 0.0000 . 1 . . . A 90 PHE H . 25573 1 679 . 1 1 90 90 PHE HA H 1 4.4237 0.0000 . 1 . . . A 90 PHE HA . 25573 1 680 . 1 1 90 90 PHE HB2 H 1 2.9521 0.0000 . 2 . . . A 90 PHE HB2 . 25573 1 681 . 1 1 90 90 PHE HB3 H 1 2.8876 0.0000 . 2 . . . A 90 PHE HB3 . 25573 1 682 . 1 1 90 90 PHE HD2 H 1 6.2437 0.0000 . 3 . . . A 90 PHE HD2 . 25573 1 683 . 1 1 90 90 PHE HZ H 1 7.0411 0.0000 . 1 . . . A 90 PHE HZ . 25573 1 684 . 1 1 90 90 PHE CA C 13 55.1511 0.0000 . 1 . . . A 90 PHE CA . 25573 1 685 . 1 1 90 90 PHE CB C 13 35.6295 0.0000 . 1 . . . A 90 PHE CB . 25573 1 686 . 1 1 90 90 PHE CD2 C 13 128.1618 0.0000 . 2 . . . A 90 PHE CD2 . 25573 1 687 . 1 1 90 90 PHE CZ C 13 131.6461 0.0000 . 1 . . . A 90 PHE CZ . 25573 1 688 . 1 1 90 90 PHE N N 15 119.3661 0.0000 . 1 . . . A 90 PHE N . 25573 1 689 . 1 1 91 91 ALA H H 1 8.1872 0.0000 . 1 . . . A 91 ALA H . 25573 1 690 . 1 1 91 91 ALA HA H 1 4.5158 0.0000 . 1 . . . A 91 ALA HA . 25573 1 691 . 1 1 91 91 ALA HB1 H 1 1.6423 0.0000 . 1 . . . A 91 ALA HB1 . 25573 1 692 . 1 1 91 91 ALA HB2 H 1 1.6423 0.0000 . 1 . . . A 91 ALA HB1 . 25573 1 693 . 1 1 91 91 ALA HB3 H 1 1.6423 0.0000 . 1 . . . A 91 ALA HB1 . 25573 1 694 . 1 1 91 91 ALA CA C 13 54.4118 0.0000 . 1 . . . A 91 ALA CA . 25573 1 695 . 1 1 91 91 ALA CB C 13 15.8900 0.0000 . 1 . . . A 91 ALA CB . 25573 1 696 . 1 1 91 91 ALA N N 15 118.9158 0.0000 . 1 . . . A 91 ALA N . 25573 1 697 . 1 1 92 92 VAL H H 1 8.1961 0.0000 . 1 . . . A 92 VAL H . 25573 1 698 . 1 1 92 92 VAL HA H 1 3.5870 0.0000 . 1 . . . A 92 VAL HA . 25573 1 699 . 1 1 92 92 VAL HB H 1 1.9866 0.0000 . 1 . . . A 92 VAL HB . 25573 1 700 . 1 1 92 92 VAL HG11 H 1 1.2966 0.0000 . 2 . . . A 92 VAL HG11 . 25573 1 701 . 1 1 92 92 VAL HG12 H 1 1.2966 0.0000 . 2 . . . A 92 VAL HG11 . 25573 1 702 . 1 1 92 92 VAL HG13 H 1 1.2966 0.0000 . 2 . . . A 92 VAL HG11 . 25573 1 703 . 1 1 92 92 VAL HG21 H 1 1.2943 0.0000 . 2 . . . A 92 VAL HG21 . 25573 1 704 . 1 1 92 92 VAL HG22 H 1 1.2943 0.0000 . 2 . . . A 92 VAL HG21 . 25573 1 705 . 1 1 92 92 VAL HG23 H 1 1.2943 0.0000 . 2 . . . A 92 VAL HG21 . 25573 1 706 . 1 1 92 92 VAL CA C 13 63.5790 0.0000 . 1 . . . A 92 VAL CA . 25573 1 707 . 1 1 92 92 VAL CB C 13 30.7920 0.0000 . 1 . . . A 92 VAL CB . 25573 1 708 . 1 1 92 92 VAL CG1 C 13 19.5049 0.0000 . 2 . . . A 92 VAL CG1 . 25573 1 709 . 1 1 92 92 VAL CG2 C 13 19.4757 0.0000 . 2 . . . A 92 VAL CG2 . 25573 1 710 . 1 1 92 92 VAL N N 15 113.7410 0.0000 . 1 . . . A 92 VAL N . 25573 1 711 . 1 1 93 93 ALA H H 1 8.5637 0.0000 . 1 . . . A 93 ALA H . 25573 1 712 . 1 1 93 93 ALA HA H 1 4.6936 0.0000 . 1 . . . A 93 ALA HA . 25573 1 713 . 1 1 93 93 ALA HB1 H 1 1.3063 0.0000 . 1 . . . A 93 ALA HB1 . 25573 1 714 . 1 1 93 93 ALA HB2 H 1 1.3063 0.0000 . 1 . . . A 93 ALA HB1 . 25573 1 715 . 1 1 93 93 ALA HB3 H 1 1.3063 0.0000 . 1 . . . A 93 ALA HB1 . 25573 1 716 . 1 1 93 93 ALA CA C 13 50.2811 0.0000 . 1 . . . A 93 ALA CA . 25573 1 717 . 1 1 93 93 ALA CB C 13 16.7147 0.0000 . 1 . . . A 93 ALA CB . 25573 1 718 . 1 1 93 93 ALA N N 15 119.3661 0.0000 . 1 . . . A 93 ALA N . 25573 1 719 . 1 1 94 94 GLY H H 1 6.9398 0.0000 . 1 . . . A 94 GLY H . 25573 1 720 . 1 1 94 94 GLY HA2 H 1 3.7248 0.0000 . 2 . . . A 94 GLY HA2 . 25573 1 721 . 1 1 94 94 GLY HA3 H 1 2.8515 0.0000 . 2 . . . A 94 GLY HA3 . 25573 1 722 . 1 1 94 94 GLY CA C 13 43.9238 0.0000 . 1 . . . A 94 GLY CA . 25573 1 723 . 1 1 94 94 GLY N N 15 104.9584 0.0000 . 1 . . . A 94 GLY N . 25573 1 724 . 1 1 95 95 LEU H H 1 7.7238 0.0000 . 1 . . . A 95 LEU H . 25573 1 725 . 1 1 95 95 LEU HA H 1 4.0051 0.0000 . 1 . . . A 95 LEU HA . 25573 1 726 . 1 1 95 95 LEU HB2 H 1 1.9495 0.0000 . 2 . . . A 95 LEU HB2 . 25573 1 727 . 1 1 95 95 LEU HB3 H 1 1.3709 0.0000 . 2 . . . A 95 LEU HB3 . 25573 1 728 . 1 1 95 95 LEU HG H 1 1.2189 0.0000 . 1 . . . A 95 LEU HG . 25573 1 729 . 1 1 95 95 LEU CA C 13 54.4040 0.0000 . 1 . . . A 95 LEU CA . 25573 1 730 . 1 1 95 95 LEU CB C 13 38.2246 0.0000 . 1 . . . A 95 LEU CB . 25573 1 731 . 1 1 95 95 LEU CG C 13 23.3614 0.0000 . 1 . . . A 95 LEU CG . 25573 1 732 . 1 1 95 95 LEU N N 15 120.6794 0.0000 . 1 . . . A 95 LEU N . 25573 1 733 . 1 1 96 96 LEU H H 1 7.7230 0.0000 . 1 . . . A 96 LEU H . 25573 1 734 . 1 1 96 96 LEU HA H 1 4.2746 0.0000 . 1 . . . A 96 LEU HA . 25573 1 735 . 1 1 96 96 LEU HB2 H 1 2.2848 0.0000 . 2 . . . A 96 LEU HB2 . 25573 1 736 . 1 1 96 96 LEU HB3 H 1 1.4808 0.0000 . 2 . . . A 96 LEU HB3 . 25573 1 737 . 1 1 96 96 LEU HG H 1 1.5286 0.0000 . 1 . . . A 96 LEU HG . 25573 1 738 . 1 1 96 96 LEU HD11 H 1 0.8656 0.0000 . 2 . . . A 96 LEU HD11 . 25573 1 739 . 1 1 96 96 LEU HD12 H 1 0.8656 0.0000 . 2 . . . A 96 LEU HD11 . 25573 1 740 . 1 1 96 96 LEU HD13 H 1 0.8656 0.0000 . 2 . . . A 96 LEU HD11 . 25573 1 741 . 1 1 96 96 LEU HD21 H 1 0.8108 0.0000 . 2 . . . A 96 LEU HD21 . 25573 1 742 . 1 1 96 96 LEU HD22 H 1 0.8108 0.0000 . 2 . . . A 96 LEU HD21 . 25573 1 743 . 1 1 96 96 LEU HD23 H 1 0.8108 0.0000 . 2 . . . A 96 LEU HD21 . 25573 1 744 . 1 1 96 96 LEU CA C 13 52.2699 0.0000 . 1 . . . A 96 LEU CA . 25573 1 745 . 1 1 96 96 LEU CB C 13 38.6858 0.0000 . 1 . . . A 96 LEU CB . 25573 1 746 . 1 1 96 96 LEU CG C 13 24.1872 0.0000 . 1 . . . A 96 LEU CG . 25573 1 747 . 1 1 96 96 LEU CD1 C 13 19.6123 0.0000 . 2 . . . A 96 LEU CD1 . 25573 1 748 . 1 1 96 96 LEU CD2 C 13 23.2752 0.0000 . 2 . . . A 96 LEU CD2 . 25573 1 749 . 1 1 96 96 LEU N N 15 115.2615 0.0000 . 1 . . . A 96 LEU N . 25573 1 750 . 1 1 97 97 ASN H H 1 6.6936 0.0000 . 1 . . . A 97 ASN H . 25573 1 751 . 1 1 97 97 ASN HA H 1 4.2414 0.0000 . 1 . . . A 97 ASN HA . 25573 1 752 . 1 1 97 97 ASN HB2 H 1 3.1446 0.0000 . 2 . . . A 97 ASN HB2 . 25573 1 753 . 1 1 97 97 ASN HB3 H 1 2.2507 0.0000 . 2 . . . A 97 ASN HB3 . 25573 1 754 . 1 1 97 97 ASN CA C 13 51.2002 0.0000 . 1 . . . A 97 ASN CA . 25573 1 755 . 1 1 97 97 ASN CB C 13 34.4448 0.0000 . 1 . . . A 97 ASN CB . 25573 1 756 . 1 1 97 97 ASN N N 15 112.6724 0.0000 . 1 . . . A 97 ASN N . 25573 1 757 . 1 1 98 98 MET H H 1 8.1679 0.0000 . 1 . . . A 98 MET H . 25573 1 758 . 1 1 98 98 MET HA H 1 4.6141 0.0000 . 1 . . . A 98 MET HA . 25573 1 759 . 1 1 98 98 MET HB2 H 1 1.7967 0.0000 . 2 . . . A 98 MET HB2 . 25573 1 760 . 1 1 98 98 MET HB3 H 1 2.0123 0.0000 . 2 . . . A 98 MET HB3 . 25573 1 761 . 1 1 98 98 MET HG2 H 1 2.5018 0.0000 . 2 . . . A 98 MET HG2 . 25573 1 762 . 1 1 98 98 MET CA C 13 51.6847 0.0000 . 1 . . . A 98 MET CA . 25573 1 763 . 1 1 98 98 MET CB C 13 29.8085 0.0000 . 1 . . . A 98 MET CB . 25573 1 764 . 1 1 98 98 MET CG C 13 29.8098 0.0000 . 1 . . . A 98 MET CG . 25573 1 765 . 1 1 98 98 MET N N 15 115.9679 0.0000 . 1 . . . A 98 MET N . 25573 1 766 . 1 1 99 99 THR H H 1 8.5616 0.0000 . 1 . . . A 99 THR H . 25573 1 767 . 1 1 99 99 THR HA H 1 4.1840 0.0000 . 1 . . . A 99 THR HA . 25573 1 768 . 1 1 99 99 THR HB H 1 4.0598 0.0000 . 1 . . . A 99 THR HB . 25573 1 769 . 1 1 99 99 THR HG21 H 1 1.2076 0.0000 . 1 . . . A 99 THR HG21 . 25573 1 770 . 1 1 99 99 THR HG22 H 1 1.2076 0.0000 . 1 . . . A 99 THR HG21 . 25573 1 771 . 1 1 99 99 THR HG23 H 1 1.2076 0.0000 . 1 . . . A 99 THR HG21 . 25573 1 772 . 1 1 99 99 THR CA C 13 59.8134 0.0000 . 1 . . . A 99 THR CA . 25573 1 773 . 1 1 99 99 THR CB C 13 65.4378 0.0000 . 1 . . . A 99 THR CB . 25573 1 774 . 1 1 99 99 THR CG2 C 13 19.1184 0.0000 . 1 . . . A 99 THR CG2 . 25573 1 775 . 1 1 99 99 THR N N 15 118.6834 0.0000 . 1 . . . A 99 THR N . 25573 1 776 . 1 1 100 100 VAL H H 1 8.3915 0.0000 . 1 . . . A 100 VAL H . 25573 1 777 . 1 1 100 100 VAL HA H 1 4.1190 0.0000 . 1 . . . A 100 VAL HA . 25573 1 778 . 1 1 100 100 VAL HG21 H 1 0.9386 0.0000 . 2 . . . A 100 VAL HG21 . 25573 1 779 . 1 1 100 100 VAL HG22 H 1 0.9386 0.0000 . 2 . . . A 100 VAL HG21 . 25573 1 780 . 1 1 100 100 VAL HG23 H 1 0.9386 0.0000 . 2 . . . A 100 VAL HG21 . 25573 1 781 . 1 1 100 100 VAL CA C 13 56.7019 0.0000 . 1 . . . A 100 VAL CA . 25573 1 782 . 1 1 100 100 VAL CG1 C 13 16.9062 0.0000 . 2 . . . A 100 VAL CG1 . 25573 1 783 . 1 1 100 100 VAL CG2 C 13 16.1039 0.0000 . 2 . . . A 100 VAL CG2 . 25573 1 784 . 1 1 101 101 SER H H 1 8.0787 0.0000 . 1 . . . A 101 SER H . 25573 1 785 . 1 1 101 101 SER HA H 1 4.6446 0.0000 . 1 . . . A 101 SER HA . 25573 1 786 . 1 1 101 101 SER HB2 H 1 4.0107 0.0000 . 2 . . . A 101 SER HB2 . 25573 1 787 . 1 1 101 101 SER CA C 13 56.8524 0.0000 . 1 . . . A 101 SER CA . 25573 1 788 . 1 1 101 101 SER CB C 13 61.7389 0.0000 . 1 . . . A 101 SER CB . 25573 1 789 . 1 1 101 101 SER N N 15 121.7359 0.0000 . 1 . . . A 101 SER N . 25573 1 790 . 1 1 102 102 THR H H 1 7.2757 0.0000 . 1 . . . A 102 THR H . 25573 1 791 . 1 1 102 102 THR HA H 1 5.4505 0.0000 . 1 . . . A 102 THR HA . 25573 1 792 . 1 1 102 102 THR HB H 1 4.6470 0.0000 . 1 . . . A 102 THR HB . 25573 1 793 . 1 1 102 102 THR HG21 H 1 1.2973 0.0000 . 1 . . . A 102 THR HG21 . 25573 1 794 . 1 1 102 102 THR HG22 H 1 1.2973 0.0000 . 1 . . . A 102 THR HG21 . 25573 1 795 . 1 1 102 102 THR HG23 H 1 1.2973 0.0000 . 1 . . . A 102 THR HG21 . 25573 1 796 . 1 1 102 102 THR CA C 13 56.5215 0.0000 . 1 . . . A 102 THR CA . 25573 1 797 . 1 1 102 102 THR CB C 13 71.0072 0.0000 . 1 . . . A 102 THR CB . 25573 1 798 . 1 1 102 102 THR CG2 C 13 19.4547 0.0000 . 1 . . . A 102 THR CG2 . 25573 1 799 . 1 1 102 102 THR N N 15 110.1468 0.0000 . 1 . . . A 102 THR N . 25573 1 800 . 1 1 103 103 ALA H H 1 8.4331 0.0000 . 1 . . . A 103 ALA H . 25573 1 801 . 1 1 103 103 ALA HA H 1 3.9537 0.0000 . 1 . . . A 103 ALA HA . 25573 1 802 . 1 1 103 103 ALA HB1 H 1 1.5951 0.0000 . 1 . . . A 103 ALA HB1 . 25573 1 803 . 1 1 103 103 ALA HB2 H 1 1.5951 0.0000 . 1 . . . A 103 ALA HB1 . 25573 1 804 . 1 1 103 103 ALA HB3 H 1 1.5951 0.0000 . 1 . . . A 103 ALA HB1 . 25573 1 805 . 1 1 103 103 ALA CA C 13 52.2777 0.0000 . 1 . . . A 103 ALA CA . 25573 1 806 . 1 1 103 103 ALA CB C 13 15.6845 0.0000 . 1 . . . A 103 ALA CB . 25573 1 807 . 1 1 103 103 ALA N N 15 124.0135 0.0000 . 1 . . . A 103 ALA N . 25573 1 808 . 1 1 104 104 ALA H H 1 8.4740 0.0000 . 1 . . . A 104 ALA H . 25573 1 809 . 1 1 104 104 ALA HA H 1 4.2858 0.0000 . 1 . . . A 104 ALA HA . 25573 1 810 . 1 1 104 104 ALA HB1 H 1 1.6108 0.0000 . 1 . . . A 104 ALA HB1 . 25573 1 811 . 1 1 104 104 ALA HB2 H 1 1.6108 0.0000 . 1 . . . A 104 ALA HB1 . 25573 1 812 . 1 1 104 104 ALA HB3 H 1 1.6108 0.0000 . 1 . . . A 104 ALA HB1 . 25573 1 813 . 1 1 104 104 ALA CA C 13 52.3022 0.0000 . 1 . . . A 104 ALA CA . 25573 1 814 . 1 1 104 104 ALA CB C 13 16.5200 0.0000 . 1 . . . A 104 ALA CB . 25573 1 815 . 1 1 104 104 ALA N N 15 119.6493 0.0000 . 1 . . . A 104 ALA N . 25573 1 816 . 1 1 105 105 ALA H H 1 8.0501 0.0000 . 1 . . . A 105 ALA H . 25573 1 817 . 1 1 105 105 ALA HA H 1 4.2640 0.0000 . 1 . . . A 105 ALA HA . 25573 1 818 . 1 1 105 105 ALA HB1 H 1 1.6277 0.0000 . 1 . . . A 105 ALA HB1 . 25573 1 819 . 1 1 105 105 ALA HB2 H 1 1.6277 0.0000 . 1 . . . A 105 ALA HB1 . 25573 1 820 . 1 1 105 105 ALA HB3 H 1 1.6277 0.0000 . 1 . . . A 105 ALA HB1 . 25573 1 821 . 1 1 105 105 ALA CA C 13 52.1982 0.0000 . 1 . . . A 105 ALA CA . 25573 1 822 . 1 1 105 105 ALA CB C 13 15.7454 0.0000 . 1 . . . A 105 ALA CB . 25573 1 823 . 1 1 105 105 ALA N N 15 120.5871 0.0000 . 1 . . . A 105 ALA N . 25573 1 824 . 1 1 106 106 ALA H H 1 8.0713 0.0000 . 1 . . . A 106 ALA H . 25573 1 825 . 1 1 106 106 ALA HA H 1 3.2667 0.0000 . 1 . . . A 106 ALA HA . 25573 1 826 . 1 1 106 106 ALA HB1 H 1 1.6197 0.0000 . 1 . . . A 106 ALA HB1 . 25573 1 827 . 1 1 106 106 ALA HB2 H 1 1.6197 0.0000 . 1 . . . A 106 ALA HB1 . 25573 1 828 . 1 1 106 106 ALA HB3 H 1 1.6197 0.0000 . 1 . . . A 106 ALA HB1 . 25573 1 829 . 1 1 106 106 ALA CA C 13 51.5106 0.0000 . 1 . . . A 106 ALA CA . 25573 1 830 . 1 1 106 106 ALA CB C 13 16.0477 0.0000 . 1 . . . A 106 ALA CB . 25573 1 831 . 1 1 106 106 ALA N N 15 121.7516 0.0000 . 1 . . . A 106 ALA N . 25573 1 832 . 1 1 107 107 GLU H H 1 8.7110 0.0000 . 1 . . . A 107 GLU H . 25573 1 833 . 1 1 107 107 GLU HA H 1 3.8593 0.0000 . 1 . . . A 107 GLU HA . 25573 1 834 . 1 1 107 107 GLU HB2 H 1 2.2212 0.0000 . 2 . . . A 107 GLU HB2 . 25573 1 835 . 1 1 107 107 GLU HB3 H 1 2.2246 0.0000 . 2 . . . A 107 GLU HB3 . 25573 1 836 . 1 1 107 107 GLU HG2 H 1 2.2418 0.0000 . 2 . . . A 107 GLU HG2 . 25573 1 837 . 1 1 107 107 GLU CA C 13 57.3353 0.0000 . 1 . . . A 107 GLU CA . 25573 1 838 . 1 1 107 107 GLU CB C 13 27.1088 0.0000 . 1 . . . A 107 GLU CB . 25573 1 839 . 1 1 107 107 GLU CG C 13 34.7341 0.0000 . 1 . . . A 107 GLU CG . 25573 1 840 . 1 1 107 107 GLU N N 15 119.1332 0.0000 . 1 . . . A 107 GLU N . 25573 1 841 . 1 1 108 108 ASN H H 1 8.0450 0.0000 . 1 . . . A 108 ASN H . 25573 1 842 . 1 1 108 108 ASN HA H 1 4.6010 0.0000 . 1 . . . A 108 ASN HA . 25573 1 843 . 1 1 108 108 ASN HB2 H 1 2.9550 0.0000 . 2 . . . A 108 ASN HB2 . 25573 1 844 . 1 1 108 108 ASN CA C 13 53.9714 0.0000 . 1 . . . A 108 ASN CA . 25573 1 845 . 1 1 108 108 ASN CB C 13 35.4524 0.0000 . 1 . . . A 108 ASN CB . 25573 1 846 . 1 1 108 108 ASN N N 15 118.3058 0.0000 . 1 . . . A 108 ASN N . 25573 1 847 . 1 1 109 109 MET H H 1 8.4012 0.0000 . 1 . . . A 109 MET H . 25573 1 848 . 1 1 109 109 MET HA H 1 4.3048 0.0000 . 1 . . . A 109 MET HA . 25573 1 849 . 1 1 109 109 MET HB2 H 1 2.1950 0.0000 . 2 . . . A 109 MET HB2 . 25573 1 850 . 1 1 109 109 MET HE1 H 1 0.8554 0.0000 . 1 . . . A 109 MET HE1 . 25573 1 851 . 1 1 109 109 MET HE2 H 1 0.8554 0.0000 . 1 . . . A 109 MET HE1 . 25573 1 852 . 1 1 109 109 MET HE3 H 1 0.8554 0.0000 . 1 . . . A 109 MET HE1 . 25573 1 853 . 1 1 109 109 MET CA C 13 55.6025 0.0000 . 1 . . . A 109 MET CA . 25573 1 854 . 1 1 109 109 MET CB C 13 29.7715 0.0000 . 1 . . . A 109 MET CB . 25573 1 855 . 1 1 109 109 MET CE C 13 14.7233 0.0000 . 1 . . . A 109 MET CE . 25573 1 856 . 1 1 109 109 MET N N 15 120.0379 0.0000 . 1 . . . A 109 MET N . 25573 1 857 . 1 1 110 110 TYR H H 1 8.6514 0.0000 . 1 . . . A 110 TYR H . 25573 1 858 . 1 1 110 110 TYR HA H 1 3.6626 0.0000 . 1 . . . A 110 TYR HA . 25573 1 859 . 1 1 110 110 TYR HB2 H 1 3.4344 0.0482 . 2 . . . A 110 TYR HB2 . 25573 1 860 . 1 1 110 110 TYR HB3 H 1 2.9900 0.0000 . 2 . . . A 110 TYR HB3 . 25573 1 861 . 1 1 110 110 TYR HD2 H 1 6.9685 0.0000 . 3 . . . A 110 TYR HD2 . 25573 1 862 . 1 1 110 110 TYR CA C 13 58.9253 0.0000 . 1 . . . A 110 TYR CA . 25573 1 863 . 1 1 110 110 TYR CB C 13 35.9259 0.0000 . 1 . . . A 110 TYR CB . 25573 1 864 . 1 1 110 110 TYR CD2 C 13 130.8964 0.0000 . 2 . . . A 110 TYR CD2 . 25573 1 865 . 1 1 110 110 TYR CZ C 13 159.0112 0.0000 . 1 . . . A 110 TYR CZ . 25573 1 866 . 1 1 110 110 TYR N N 15 121.6161 0.0000 . 1 . . . A 110 TYR N . 25573 1 867 . 1 1 111 111 SER H H 1 7.3936 0.0000 . 1 . . . A 111 SER H . 25573 1 868 . 1 1 111 111 SER HA H 1 4.5401 0.0000 . 1 . . . A 111 SER HA . 25573 1 869 . 1 1 111 111 SER HB2 H 1 4.0637 0.0000 . 2 . . . A 111 SER HB2 . 25573 1 870 . 1 1 111 111 SER HB3 H 1 3.8865 0.0000 . 2 . . . A 111 SER HB3 . 25573 1 871 . 1 1 111 111 SER CA C 13 58.3951 0.0000 . 1 . . . A 111 SER CA . 25573 1 872 . 1 1 111 111 SER CB C 13 60.6003 0.0000 . 1 . . . A 111 SER CB . 25573 1 873 . 1 1 111 111 SER N N 15 110.6212 0.0000 . 1 . . . A 111 SER N . 25573 1 874 . 1 1 112 112 GLN H H 1 8.7744 0.0000 . 1 . . . A 112 GLN H . 25573 1 875 . 1 1 112 112 GLN HA H 1 4.0586 0.0000 . 1 . . . A 112 GLN HA . 25573 1 876 . 1 1 112 112 GLN HB2 H 1 2.2063 0.0000 . 2 . . . A 112 GLN HB2 . 25573 1 877 . 1 1 112 112 GLN HG2 H 1 2.5194 0.0000 . 2 . . . A 112 GLN HG2 . 25573 1 878 . 1 1 112 112 GLN CA C 13 56.0830 0.0000 . 1 . . . A 112 GLN CA . 25573 1 879 . 1 1 112 112 GLN CB C 13 25.6453 0.0000 . 1 . . . A 112 GLN CB . 25573 1 880 . 1 1 112 112 GLN CG C 13 30.8471 0.0000 . 1 . . . A 112 GLN CG . 25573 1 881 . 1 1 112 112 GLN N N 15 125.6426 0.0000 . 1 . . . A 112 GLN N . 25573 1 882 . 1 1 113 113 MET H H 1 8.0698 0.0000 . 1 . . . A 113 MET H . 25573 1 883 . 1 1 113 113 MET HA H 1 4.2752 0.0000 . 1 . . . A 113 MET HA . 25573 1 884 . 1 1 113 113 MET HB2 H 1 2.0485 0.0000 . 2 . . . A 113 MET HB2 . 25573 1 885 . 1 1 113 113 MET CA C 13 53.2465 0.0000 . 1 . . . A 113 MET CA . 25573 1 886 . 1 1 113 113 MET CB C 13 31.3651 0.0000 . 1 . . . A 113 MET CB . 25573 1 887 . 1 1 113 113 MET N N 15 114.8660 0.0000 . 1 . . . A 113 MET N . 25573 1 888 . 1 1 114 114 GLY H H 1 8.0124 0.0000 . 1 . . . A 114 GLY H . 25573 1 889 . 1 1 114 114 GLY HA2 H 1 3.9878 0.0000 . 2 . . . A 114 GLY HA2 . 25573 1 890 . 1 1 114 114 GLY HA3 H 1 3.9880 0.0000 . 2 . . . A 114 GLY HA3 . 25573 1 891 . 1 1 114 114 GLY CA C 13 42.9597 0.0000 . 1 . . . A 114 GLY CA . 25573 1 892 . 1 1 114 114 GLY N N 15 107.2523 0.0000 . 1 . . . A 114 GLY N . 25573 1 893 . 1 1 115 115 LEU H H 1 7.4465 0.0000 . 1 . . . A 115 LEU H . 25573 1 894 . 1 1 115 115 LEU HA H 1 3.8745 0.0000 . 1 . . . A 115 LEU HA . 25573 1 895 . 1 1 115 115 LEU HB2 H 1 0.4874 0.0000 . 2 . . . A 115 LEU HB2 . 25573 1 896 . 1 1 115 115 LEU HB3 H 1 0.2115 0.0000 . 2 . . . A 115 LEU HB3 . 25573 1 897 . 1 1 115 115 LEU HG H 1 1.2674 0.0000 . 1 . . . A 115 LEU HG . 25573 1 898 . 1 1 115 115 LEU HD11 H 1 0.5898 0.0000 . 2 . . . A 115 LEU HD11 . 25573 1 899 . 1 1 115 115 LEU HD12 H 1 0.5898 0.0000 . 2 . . . A 115 LEU HD11 . 25573 1 900 . 1 1 115 115 LEU HD13 H 1 0.5898 0.0000 . 2 . . . A 115 LEU HD11 . 25573 1 901 . 1 1 115 115 LEU HD21 H 1 0.5364 0.0000 . 2 . . . A 115 LEU HD21 . 25573 1 902 . 1 1 115 115 LEU HD22 H 1 0.5364 0.0000 . 2 . . . A 115 LEU HD21 . 25573 1 903 . 1 1 115 115 LEU HD23 H 1 0.5364 0.0000 . 2 . . . A 115 LEU HD21 . 25573 1 904 . 1 1 115 115 LEU CA C 13 53.2090 0.0000 . 1 . . . A 115 LEU CA . 25573 1 905 . 1 1 115 115 LEU CB C 13 35.4580 0.0000 . 1 . . . A 115 LEU CB . 25573 1 906 . 1 1 115 115 LEU CG C 13 23.3773 0.0000 . 1 . . . A 115 LEU CG . 25573 1 907 . 1 1 115 115 LEU CD1 C 13 20.9998 0.0000 . 2 . . . A 115 LEU CD1 . 25573 1 908 . 1 1 115 115 LEU CD2 C 13 18.5217 0.0000 . 2 . . . A 115 LEU CD2 . 25573 1 909 . 1 1 115 115 LEU N N 15 114.9389 0.0000 . 1 . . . A 115 LEU N . 25573 1 910 . 1 1 116 116 ASP H H 1 8.5179 0.0000 . 1 . . . A 116 ASP H . 25573 1 911 . 1 1 116 116 ASP HA H 1 4.6698 0.0000 . 1 . . . A 116 ASP HA . 25573 1 912 . 1 1 116 116 ASP HB2 H 1 2.7420 0.0000 . 2 . . . A 116 ASP HB2 . 25573 1 913 . 1 1 116 116 ASP CA C 13 52.3031 0.0000 . 1 . . . A 116 ASP CA . 25573 1 914 . 1 1 116 116 ASP CB C 13 37.3193 0.0000 . 1 . . . A 116 ASP CB . 25573 1 915 . 1 1 116 116 ASP N N 15 116.4230 0.0000 . 1 . . . A 116 ASP N . 25573 1 916 . 1 1 117 117 THR H H 1 7.2405 0.0000 . 1 . . . A 117 THR H . 25573 1 917 . 1 1 117 117 THR HA H 1 4.1938 0.0000 . 1 . . . A 117 THR HA . 25573 1 918 . 1 1 117 117 THR HB H 1 3.9907 0.0000 . 1 . . . A 117 THR HB . 25573 1 919 . 1 1 117 117 THR HG21 H 1 1.1558 0.0000 . 1 . . . A 117 THR HG21 . 25573 1 920 . 1 1 117 117 THR HG22 H 1 1.1558 0.0000 . 1 . . . A 117 THR HG21 . 25573 1 921 . 1 1 117 117 THR HG23 H 1 1.1558 0.0000 . 1 . . . A 117 THR HG21 . 25573 1 922 . 1 1 117 117 THR CA C 13 58.9246 0.0000 . 1 . . . A 117 THR CA . 25573 1 923 . 1 1 117 117 THR CB C 13 67.3200 0.0000 . 1 . . . A 117 THR CB . 25573 1 924 . 1 1 117 117 THR CG2 C 13 18.7191 0.0000 . 1 . . . A 117 THR CG2 . 25573 1 925 . 1 1 117 117 THR N N 15 113.5817 0.0000 . 1 . . . A 117 THR N . 25573 1 926 . 1 1 118 118 ARG H H 1 8.7114 0.0000 . 1 . . . A 118 ARG H . 25573 1 927 . 1 1 118 118 ARG HA H 1 4.5655 0.0000 . 1 . . . A 118 ARG HA . 25573 1 928 . 1 1 118 118 ARG CA C 13 52.3430 0.0000 . 1 . . . A 118 ARG CA . 25573 1 929 . 1 1 118 118 ARG CB C 13 33.7076 0.0000 . 1 . . . A 118 ARG CB . 25573 1 930 . 1 1 118 118 ARG N N 15 126.0681 0.0000 . 1 . . . A 118 ARG N . 25573 1 931 . 1 1 119 119 PRO HA H 1 2.0782 0.0000 . 1 . . . A 119 PRO HA . 25573 1 932 . 1 1 119 119 PRO CA C 13 60.0429 0.0000 . 1 . . . A 119 PRO CA . 25573 1 933 . 1 1 120 120 SER H H 1 8.3852 0.0000 . 1 . . . A 120 SER H . 25573 1 934 . 1 1 120 120 SER HA H 1 4.3852 0.0000 . 1 . . . A 120 SER HA . 25573 1 935 . 1 1 120 120 SER HB2 H 1 3.8360 0.0000 . 2 . . . A 120 SER HB2 . 25573 1 936 . 1 1 120 120 SER CA C 13 55.3519 0.0000 . 1 . . . A 120 SER CA . 25573 1 937 . 1 1 120 120 SER CB C 13 61.0372 0.0000 . 1 . . . A 120 SER CB . 25573 1 938 . 1 1 120 120 SER N N 15 116.2506 0.0000 . 1 . . . A 120 SER N . 25573 1 939 . 1 1 121 121 MET H H 1 8.2973 0.0000 . 1 . . . A 121 MET H . 25573 1 940 . 1 1 121 121 MET HA H 1 4.2887 0.0000 . 1 . . . A 121 MET HA . 25573 1 941 . 1 1 121 121 MET HB2 H 1 1.7481 0.0000 . 2 . . . A 121 MET HB2 . 25573 1 942 . 1 1 121 121 MET CA C 13 53.2825 0.0000 . 1 . . . A 121 MET CA . 25573 1 943 . 1 1 121 121 MET CB C 13 30.7549 0.0000 . 1 . . . A 121 MET CB . 25573 1 944 . 1 1 121 121 MET N N 15 123.1709 0.0000 . 1 . . . A 121 MET N . 25573 1 945 . 1 1 122 122 LYS HA H 1 4.2578 0.0000 . 1 . . . A 122 LYS HA . 25573 1 946 . 1 1 122 122 LYS CA C 13 53.6693 0.0000 . 1 . . . A 122 LYS CA . 25573 1 947 . 1 1 123 123 GLU H H 1 8.5052 0.0000 . 1 . . . A 123 GLU H . 25573 1 948 . 1 1 123 123 GLU CA C 13 47.9025 0.0000 . 1 . . . A 123 GLU CA . 25573 1 949 . 1 1 123 123 GLU CB C 13 30.4044 0.0000 . 1 . . . A 123 GLU CB . 25573 1 950 . 1 1 123 123 GLU N N 15 122.1347 0.0000 . 1 . . . A 123 GLU N . 25573 1 951 . 1 1 124 124 ALA H H 1 8.4221 0.0000 . 1 . . . A 124 ALA H . 25573 1 952 . 1 1 124 124 ALA HA H 1 4.3309 0.0000 . 1 . . . A 124 ALA HA . 25573 1 953 . 1 1 124 124 ALA CA C 13 49.8325 0.0000 . 1 . . . A 124 ALA CA . 25573 1 954 . 1 1 124 124 ALA CB C 13 16.6654 0.0000 . 1 . . . A 124 ALA CB . 25573 1 955 . 1 1 124 124 ALA N N 15 125.3401 0.0000 . 1 . . . A 124 ALA N . 25573 1 956 . 1 1 125 125 GLY H H 1 8.4013 0.0000 . 1 . . . A 125 GLY H . 25573 1 957 . 1 1 125 125 GLY HA2 H 1 3.9790 0.0000 . 2 . . . A 125 GLY HA2 . 25573 1 958 . 1 1 125 125 GLY CA C 13 42.7407 0.0000 . 1 . . . A 125 GLY CA . 25573 1 959 . 1 1 125 125 GLY N N 15 108.4260 0.0000 . 1 . . . A 125 GLY N . 25573 1 960 . 1 1 126 126 GLY H H 1 8.5153 0.0000 . 1 . . . A 126 GLY H . 25573 1 961 . 1 1 126 126 GLY HA2 H 1 4.0202 0.0000 . 2 . . . A 126 GLY HA2 . 25573 1 962 . 1 1 126 126 GLY CA C 13 42.2469 0.0000 . 1 . . . A 126 GLY CA . 25573 1 963 . 1 1 126 126 GLY N N 15 109.7924 0.0000 . 1 . . . A 126 GLY N . 25573 1 964 . 1 1 127 127 LYS H H 1 8.2436 0.0000 . 1 . . . A 127 LYS H . 25573 1 965 . 1 1 127 127 LYS HA H 1 4.3211 0.0000 . 1 . . . A 127 LYS HA . 25573 1 966 . 1 1 127 127 LYS HB2 H 1 1.8136 0.0000 . 2 . . . A 127 LYS HB2 . 25573 1 967 . 1 1 127 127 LYS CA C 13 53.5437 0.0000 . 1 . . . A 127 LYS CA . 25573 1 968 . 1 1 127 127 LYS CB C 13 30.3525 0.0000 . 1 . . . A 127 LYS CB . 25573 1 969 . 1 1 127 127 LYS N N 15 120.3664 0.0000 . 1 . . . A 127 LYS N . 25573 1 970 . 1 1 128 128 GLU H H 1 8.5590 0.0000 . 1 . . . A 128 GLU H . 25573 1 971 . 1 1 128 128 GLU CA C 13 56.0441 0.0000 . 1 . . . A 128 GLU CA . 25573 1 972 . 1 1 128 128 GLU N N 15 122.2700 0.0000 . 1 . . . A 128 GLU N . 25573 1 973 . 1 1 129 129 GLU H H 1 8.0270 0.0000 . 1 . . . A 129 GLU H . 25573 1 974 . 1 1 129 129 GLU HB2 H 1 1.8522 0.0000 . 2 . . . A 129 GLU HB2 . 25573 1 975 . 1 1 129 129 GLU CA C 13 56.5358 0.0000 . 1 . . . A 129 GLU CA . 25573 1 976 . 1 1 129 129 GLU CB C 13 30.1892 0.0000 . 1 . . . A 129 GLU CB . 25573 1 977 . 1 1 129 129 GLU N N 15 122.2822 0.0000 . 1 . . . A 129 GLU N . 25573 1 978 . 1 1 130 130 GLY H H 1 10.1896 0.0000 . 1 . . . A 130 GLY H . 25573 1 979 . 1 1 130 130 GLY HA2 H 1 4.0558 0.0000 . 2 . . . A 130 GLY HA2 . 25573 1 980 . 1 1 130 130 GLY CA C 13 41.6613 0.0000 . 1 . . . A 130 GLY CA . 25573 1 981 . 1 1 130 130 GLY N N 15 110.2580 0.0000 . 1 . . . A 130 GLY N . 25573 1 982 . 1 1 132 132 PRO HA H 1 4.3789 0.0000 . 1 . . . A 132 PRO HA . 25573 1 983 . 1 1 132 132 PRO HB2 H 1 2.2768 0.0000 . 2 . . . A 132 PRO HB2 . 25573 1 984 . 1 1 132 132 PRO CA C 13 60.4688 0.0000 . 1 . . . A 132 PRO CA . 25573 1 985 . 1 1 132 132 PRO CB C 13 29.2308 0.0000 . 1 . . . A 132 PRO CB . 25573 1 986 . 1 1 133 133 GLN H H 1 8.4782 0.0000 . 1 . . . A 133 GLN H . 25573 1 987 . 1 1 133 133 GLN HA H 1 4.3195 0.0000 . 1 . . . A 133 GLN HA . 25573 1 988 . 1 1 133 133 GLN CA C 13 53.2495 0.0000 . 1 . . . A 133 GLN CA . 25573 1 989 . 1 1 133 133 GLN CB C 13 29.6555 0.0000 . 1 . . . A 133 GLN CB . 25573 1 990 . 1 1 133 133 GLN N N 15 119.9321 0.0000 . 1 . . . A 133 GLN N . 25573 1 991 . 1 1 134 134 ALA H H 1 8.2629 0.0000 . 1 . . . A 134 ALA H . 25573 1 992 . 1 1 134 134 ALA HA H 1 4.2493 0.0000 . 1 . . . A 134 ALA HA . 25573 1 993 . 1 1 134 134 ALA CA C 13 49.6919 0.0000 . 1 . . . A 134 ALA CA . 25573 1 994 . 1 1 134 134 ALA CB C 13 16.0243 0.0000 . 1 . . . A 134 ALA CB . 25573 1 995 . 1 1 134 134 ALA N N 15 124.8280 0.0000 . 1 . . . A 134 ALA N . 25573 1 996 . 1 1 135 135 TYR H H 1 8.0495 0.0000 . 1 . . . A 135 TYR H . 25573 1 997 . 1 1 135 135 TYR HA H 1 4.4677 0.0000 . 1 . . . A 135 TYR HA . 25573 1 998 . 1 1 135 135 TYR HB2 H 1 2.9108 0.0000 . 2 . . . A 135 TYR HB2 . 25573 1 999 . 1 1 135 135 TYR CA C 13 55.1417 0.0000 . 1 . . . A 135 TYR CA . 25573 1 1000 . 1 1 135 135 TYR CB C 13 36.1030 0.0000 . 1 . . . A 135 TYR CB . 25573 1 1001 . 1 1 135 135 TYR N N 15 119.3661 0.0000 . 1 . . . A 135 TYR N . 25573 1 stop_ save_