data_11424 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11424 _Entry.Title ; Interplay between phosphatidyl-inositol-phosphates and claudins upon binding to the 1st PDZ domain of zonula ocludens 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-05 _Entry.Accession_date 2011-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hidekazu Hiroaki . . . 11424 2 kaori Satomura . . . 11424 3 Natsuko Goda . . . 11424 4 Yoshitaka Umetsu . . . 11424 5 Ryo Taniguchi . . . 11424 6 Takahisa Ikegami . . . 11424 7 Mikio Furuse . . . 11424 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'intercellular adhesion' . 11424 'PDZ Domain' . 11424 'protein protein interaction' . 11424 'tight junction protein 1' . 11424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 11424 '15N chemical shifts' 86 11424 '1H chemical shifts' 594 11424 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-07-01 2011-01-05 update BMRB 'update entry citation' 11424 1 . . 2011-07-01 2011-01-05 original author 'original release' 11424 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RRM 'BMRB Entry Tracking System' 11424 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11424 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21431884 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N resonance assignment of the first PDZ domain of mouse ZO-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2011 _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 Yoshitaka Umetsu . . . 11424 1 2 Natsuko Goda . . . 11424 1 3 Ryo Taniguchi . . . 11424 1 4 Kaori Satomura . . . 11424 1 5 Takahisa Ikegami . . . 11424 1 6 Mikio Furuse . . . 11424 1 7 Hidekazu Hiroaki . . . 11424 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11424 _Assembly.ID 1 _Assembly.Name 'tight junction protein ZO-1' _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 'the first PDZ domain of mouse ZO-1' 1 $entity A . yes native no no . . . 11424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'the first PDZ domain of mouse ZO-1' _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 ; GPLGSDHIWEQHTVTLHRAP GFGFGIAISGGRDNPHFQSG ETSIVISDVLKGGPAEGQLQ ENDRVAMVNGVSMDNVEHAF AVQQLRKSGKNAKITIRRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10817.255 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2H2B . "Crystal Structure Of Zo-1 Pdz1 Bound To A Phage-derived Ligand (wrrttyl)" . . . . . 97.00 107 97.94 97.94 1.26e-60 . . . . 11424 1 2 no PDB 2H2C . "Crystal Structure Of Zo-1 Pdz1 Bound To A Phage-Derived Ligand (Wrrttwv)" . . . . . 97.00 107 97.94 97.94 1.84e-60 . . . . 11424 1 3 no PDB 2H3M . "Crystal Structure Of Zo-1 Pdz1" . . . . . 97.00 97 97.94 97.94 7.98e-61 . . . . 11424 1 4 no PDB 2RRM . "Interplay Between Phosphatidyl-Inositol-Phosphates And Claudins Upon Binding To The 1st Pdz Domain Of Zonula Occludens 1" . . . . . 100.00 100 100.00 100.00 1.06e-65 . . . . 11424 1 5 no PDB 4OEO . "High Resolution Crystal Structure Of The Unliganded Zo-1 Pdz1 Domain" . . . . . 97.00 107 97.94 97.94 7.30e-61 . . . . 11424 1 6 no PDB 4OEP . "Crystal Structure Of The Zo-1 Pdz1 Domain In Complex With The 7-mer Claudin1 C-terminal Tail" . . . . . 97.00 107 97.94 97.94 9.38e-61 . . . . 11424 1 7 no PDB 4YYX . "Crystal Structure Of The Zo-1 Pdz1 Domain In Complex With The 7-mer Claudin2 C-terminal Tail" . . . . . 97.00 107 97.94 97.94 6.84e-61 . . . . 11424 1 8 no DBJ BAA03274 . "ZO-1 [Mus musculus domesticus]" . . . . . 93.00 1745 100.00 100.00 1.87e-52 . . . . 11424 1 9 no DBJ BAF95000 . "tight junction protein ZO-1 [Homo sapiens]" . . . . . 93.00 1761 100.00 100.00 4.13e-55 . . . . 11424 1 10 no DBJ BAG10532 . "tight junction protein ZO-1 [synthetic construct]" . . . . . 93.00 1756 100.00 100.00 4.12e-55 . . . . 11424 1 11 no DBJ BAG65513 . "unnamed protein product [Homo sapiens]" . . . . . 93.00 1748 100.00 100.00 3.16e-55 . . . . 11424 1 12 no EMBL CAE45936 . "hypothetical protein [Homo sapiens]" . . . . . 93.00 1692 100.00 100.00 4.61e-55 . . . . 11424 1 13 no GB AAA02891 . "tight junction (zonula occludens) protein ZO-1 [Homo sapiens]" . . . . . 93.00 1736 100.00 100.00 3.42e-55 . . . . 11424 1 14 no GB AAD11529 . "ZO-1 MDCK [Canis lupus familiaris]" . . . . . 93.00 1769 100.00 100.00 3.52e-55 . . . . 11424 1 15 no GB AAH88825 . "LOC496307 protein, partial [Xenopus laevis]" . . . . . 93.00 199 97.85 97.85 2.46e-58 . . . . 11424 1 16 no GB AAI11713 . "Tight junction protein 1 (zona occludens 1) [Homo sapiens]" . . . . . 93.00 1748 100.00 100.00 3.22e-55 . . . . 11424 1 17 no GB AAI38029 . "Tjp1 protein [Mus musculus]" . . . . . 93.00 1685 100.00 100.00 1.49e-52 . . . . 11424 1 18 no REF NP_001003140 . "tight junction protein ZO-1 [Canis lupus familiaris]" . . . . . 93.00 1769 100.00 100.00 3.52e-55 . . . . 11424 1 19 no REF NP_001099736 . "tight junction protein ZO-1 [Rattus norvegicus]" . . . . . 93.00 1733 100.00 100.00 1.30e-52 . . . . 11424 1 20 no REF NP_001157046 . "tight junction protein ZO-1 isoform 2 [Mus musculus]" . . . . . 93.00 1685 100.00 100.00 1.49e-52 . . . . 11424 1 21 no REF NP_001287954 . "tight junction protein ZO-1 isoform c [Homo sapiens]" . . . . . 93.00 1835 100.00 100.00 3.96e-55 . . . . 11424 1 22 no REF NP_001287955 . "tight junction protein ZO-1 isoform d [Homo sapiens]" . . . . . 93.00 1692 100.00 100.00 4.98e-55 . . . . 11424 1 23 no SP O97758 . "RecName: Full=Tight junction protein ZO-1; AltName: Full=Tight junction protein 1; AltName: Full=Zona occludens protein 1; AltN" . . . . . 93.00 1769 100.00 100.00 3.52e-55 . . . . 11424 1 24 no SP P39447 . "RecName: Full=Tight junction protein ZO-1; AltName: Full=Tight junction protein 1; AltName: Full=Zona occludens protein 1; AltN" . . . . . 93.00 1745 100.00 100.00 1.60e-52 . . . . 11424 1 25 no SP Q07157 . "RecName: Full=Tight junction protein ZO-1; AltName: Full=Tight junction protein 1; AltName: Full=Zona occludens protein 1; AltN" . . . . . 93.00 1748 100.00 100.00 3.22e-55 . . . . 11424 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 -7 GLY . 11424 1 2 -6 PRO . 11424 1 3 -5 LEU . 11424 1 4 -4 GLY . 11424 1 5 -3 SER . 11424 1 6 -2 ASP . 11424 1 7 -1 HIS . 11424 1 8 1 ILE . 11424 1 9 2 TRP . 11424 1 10 3 GLU . 11424 1 11 4 GLN . 11424 1 12 5 HIS . 11424 1 13 6 THR . 11424 1 14 7 VAL . 11424 1 15 8 THR . 11424 1 16 9 LEU . 11424 1 17 10 HIS . 11424 1 18 11 ARG . 11424 1 19 12 ALA . 11424 1 20 13 PRO . 11424 1 21 14 GLY . 11424 1 22 15 PHE . 11424 1 23 16 GLY . 11424 1 24 17 PHE . 11424 1 25 18 GLY . 11424 1 26 19 ILE . 11424 1 27 20 ALA . 11424 1 28 21 ILE . 11424 1 29 22 SER . 11424 1 30 23 GLY . 11424 1 31 24 GLY . 11424 1 32 25 ARG . 11424 1 33 26 ASP . 11424 1 34 27 ASN . 11424 1 35 28 PRO . 11424 1 36 29 HIS . 11424 1 37 30 PHE . 11424 1 38 31 GLN . 11424 1 39 32 SER . 11424 1 40 33 GLY . 11424 1 41 34 GLU . 11424 1 42 35 THR . 11424 1 43 36 SER . 11424 1 44 37 ILE . 11424 1 45 38 VAL . 11424 1 46 39 ILE . 11424 1 47 40 SER . 11424 1 48 41 ASP . 11424 1 49 42 VAL . 11424 1 50 43 LEU . 11424 1 51 44 LYS . 11424 1 52 45 GLY . 11424 1 53 46 GLY . 11424 1 54 47 PRO . 11424 1 55 48 ALA . 11424 1 56 49 GLU . 11424 1 57 50 GLY . 11424 1 58 51 GLN . 11424 1 59 52 LEU . 11424 1 60 53 GLN . 11424 1 61 54 GLU . 11424 1 62 55 ASN . 11424 1 63 56 ASP . 11424 1 64 57 ARG . 11424 1 65 58 VAL . 11424 1 66 59 ALA . 11424 1 67 60 MET . 11424 1 68 61 VAL . 11424 1 69 62 ASN . 11424 1 70 63 GLY . 11424 1 71 64 VAL . 11424 1 72 65 SER . 11424 1 73 66 MET . 11424 1 74 67 ASP . 11424 1 75 68 ASN . 11424 1 76 69 VAL . 11424 1 77 70 GLU . 11424 1 78 71 HIS . 11424 1 79 72 ALA . 11424 1 80 73 PHE . 11424 1 81 74 ALA . 11424 1 82 75 VAL . 11424 1 83 76 GLN . 11424 1 84 77 GLN . 11424 1 85 78 LEU . 11424 1 86 79 ARG . 11424 1 87 80 LYS . 11424 1 88 81 SER . 11424 1 89 82 GLY . 11424 1 90 83 LYS . 11424 1 91 84 ASN . 11424 1 92 85 ALA . 11424 1 93 86 LYS . 11424 1 94 87 ILE . 11424 1 95 88 THR . 11424 1 96 89 ILE . 11424 1 97 90 ARG . 11424 1 98 91 ARG . 11424 1 99 92 LYS . 11424 1 100 93 LYS . 11424 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11424 1 . PRO 2 2 11424 1 . LEU 3 3 11424 1 . GLY 4 4 11424 1 . SER 5 5 11424 1 . ASP 6 6 11424 1 . HIS 7 7 11424 1 . ILE 8 8 11424 1 . TRP 9 9 11424 1 . GLU 10 10 11424 1 . GLN 11 11 11424 1 . HIS 12 12 11424 1 . THR 13 13 11424 1 . VAL 14 14 11424 1 . THR 15 15 11424 1 . LEU 16 16 11424 1 . HIS 17 17 11424 1 . ARG 18 18 11424 1 . ALA 19 19 11424 1 . PRO 20 20 11424 1 . GLY 21 21 11424 1 . PHE 22 22 11424 1 . GLY 23 23 11424 1 . PHE 24 24 11424 1 . GLY 25 25 11424 1 . ILE 26 26 11424 1 . ALA 27 27 11424 1 . ILE 28 28 11424 1 . SER 29 29 11424 1 . GLY 30 30 11424 1 . GLY 31 31 11424 1 . ARG 32 32 11424 1 . ASP 33 33 11424 1 . ASN 34 34 11424 1 . PRO 35 35 11424 1 . HIS 36 36 11424 1 . PHE 37 37 11424 1 . GLN 38 38 11424 1 . SER 39 39 11424 1 . GLY 40 40 11424 1 . GLU 41 41 11424 1 . THR 42 42 11424 1 . SER 43 43 11424 1 . ILE 44 44 11424 1 . VAL 45 45 11424 1 . ILE 46 46 11424 1 . SER 47 47 11424 1 . ASP 48 48 11424 1 . VAL 49 49 11424 1 . LEU 50 50 11424 1 . LYS 51 51 11424 1 . GLY 52 52 11424 1 . GLY 53 53 11424 1 . PRO 54 54 11424 1 . ALA 55 55 11424 1 . GLU 56 56 11424 1 . GLY 57 57 11424 1 . GLN 58 58 11424 1 . LEU 59 59 11424 1 . GLN 60 60 11424 1 . GLU 61 61 11424 1 . ASN 62 62 11424 1 . ASP 63 63 11424 1 . ARG 64 64 11424 1 . VAL 65 65 11424 1 . ALA 66 66 11424 1 . MET 67 67 11424 1 . VAL 68 68 11424 1 . ASN 69 69 11424 1 . GLY 70 70 11424 1 . VAL 71 71 11424 1 . SER 72 72 11424 1 . MET 73 73 11424 1 . ASP 74 74 11424 1 . ASN 75 75 11424 1 . VAL 76 76 11424 1 . GLU 77 77 11424 1 . HIS 78 78 11424 1 . ALA 79 79 11424 1 . PHE 80 80 11424 1 . ALA 81 81 11424 1 . VAL 82 82 11424 1 . GLN 83 83 11424 1 . GLN 84 84 11424 1 . LEU 85 85 11424 1 . ARG 86 86 11424 1 . LYS 87 87 11424 1 . SER 88 88 11424 1 . GLY 89 89 11424 1 . LYS 90 90 11424 1 . ASN 91 91 11424 1 . ALA 92 92 11424 1 . LYS 93 93 11424 1 . ILE 94 94 11424 1 . THR 95 95 11424 1 . ILE 96 96 11424 1 . ARG 97 97 11424 1 . ARG 98 98 11424 1 . LYS 99 99 11424 1 . LYS 100 100 11424 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 11424 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11424 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 11424 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . PRESAT-vector . . . . . . 11424 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11424 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZO-1(PDZ1) '[U-13C; U-15N]' . . 1 $entity . protein 0.7 . . mM . . . . 11424 1 2 MES 'natural abundance' . . . . . buffer 20 . . mM . . . . 11424 1 3 H2O . . . . . . solvent 95 . . % . . . . 11424 1 4 D2O . . . . . . solvent 5 . . % . . . . 11424 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11424 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.9 . pH 11424 1 pressure 1 . atm 11424 1 temperature 298 . K 11424 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11424 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11424 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11424 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11424 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11424 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11424 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11424 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11424 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'predicts angles from chemical shift homology' 11424 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11424 _Software.ID 4 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11424 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11424 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11424 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11424 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11424 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 11424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11424 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 11424 _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 Avance . 600 . . . 11424 1 2 spectrometer_2 Bruker DRX . 600 . . . 11424 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 11424 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11424 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11424 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 11424 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 11424 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11424 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 11424 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 11424 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11424 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11424 1 7 '3D HNCO' 1 $sample_1 isotropic 11424 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 PRO HA H 1 4.417 0.02 . 1 . . . A -6 PRO HA . 11424 1 2 . 1 1 2 2 PRO HB2 H 1 2.253 0.02 . 2 . . . A -6 PRO HB2 . 11424 1 3 . 1 1 2 2 PRO HB3 H 1 2.253 0.02 . 2 . . . A -6 PRO HB3 . 11424 1 4 . 1 1 2 2 PRO HG2 H 1 1.950 0.02 . 2 . . . A -6 PRO HG2 . 11424 1 5 . 1 1 2 2 PRO HG3 H 1 1.950 0.02 . 2 . . . A -6 PRO HG3 . 11424 1 6 . 1 1 2 2 PRO HD2 H 1 3.511 0.02 . 2 . . . A -6 PRO HD2 . 11424 1 7 . 1 1 2 2 PRO HD3 H 1 3.511 0.02 . 2 . . . A -6 PRO HD3 . 11424 1 8 . 1 1 2 2 PRO C C 13 176.966 0.2 . 1 . . . A -6 PRO C . 11424 1 9 . 1 1 2 2 PRO CA C 13 63.151 0.2 . 1 . . . A -6 PRO CA . 11424 1 10 . 1 1 2 2 PRO CB C 13 32.259 0.2 . 1 . . . A -6 PRO CB . 11424 1 11 . 1 1 2 2 PRO CG C 13 27.099 0.2 . 1 . . . A -6 PRO CG . 11424 1 12 . 1 1 2 2 PRO CD C 13 49.685 0.2 . 1 . . . A -6 PRO CD . 11424 1 13 . 1 1 3 3 LEU H H 1 8.526 0.02 . 1 . . . A -5 LEU H . 11424 1 14 . 1 1 3 3 LEU HA H 1 4.309 0.02 . 1 . . . A -5 LEU HA . 11424 1 15 . 1 1 3 3 LEU HB2 H 1 1.613 0.02 . 1 . . . A -5 LEU HB2 . 11424 1 16 . 1 1 3 3 LEU HB3 H 1 1.532 0.02 . 1 . . . A -5 LEU HB3 . 11424 1 17 . 1 1 3 3 LEU HG H 1 1.613 0.02 . 1 . . . A -5 LEU HG . 11424 1 18 . 1 1 3 3 LEU HD11 H 1 0.853 0.02 . 2 . . . A -5 LEU HD11 . 11424 1 19 . 1 1 3 3 LEU HD12 H 1 0.853 0.02 . 2 . . . A -5 LEU HD12 . 11424 1 20 . 1 1 3 3 LEU HD13 H 1 0.853 0.02 . 2 . . . A -5 LEU HD13 . 11424 1 21 . 1 1 3 3 LEU HD21 H 1 0.820 0.02 . 2 . . . A -5 LEU HD21 . 11424 1 22 . 1 1 3 3 LEU HD22 H 1 0.820 0.02 . 2 . . . A -5 LEU HD22 . 11424 1 23 . 1 1 3 3 LEU HD23 H 1 0.820 0.02 . 2 . . . A -5 LEU HD23 . 11424 1 24 . 1 1 3 3 LEU C C 13 177.946 0.2 . 1 . . . A -5 LEU C . 11424 1 25 . 1 1 3 3 LEU CA C 13 55.420 0.2 . 1 . . . A -5 LEU CA . 11424 1 26 . 1 1 3 3 LEU CB C 13 42.301 0.2 . 1 . . . A -5 LEU CB . 11424 1 27 . 1 1 3 3 LEU CG C 13 27.138 0.2 . 1 . . . A -5 LEU CG . 11424 1 28 . 1 1 3 3 LEU CD1 C 13 24.943 0.2 . 1 . . . A -5 LEU CD1 . 11424 1 29 . 1 1 3 3 LEU CD2 C 13 23.506 0.2 . 1 . . . A -5 LEU CD2 . 11424 1 30 . 1 1 3 3 LEU N N 15 122.401 0.2 . 1 . . . A -5 LEU N . 11424 1 31 . 1 1 4 4 GLY H H 1 8.448 0.02 . 1 . . . A -4 GLY H . 11424 1 32 . 1 1 4 4 GLY HA2 H 1 3.923 0.02 . 2 . . . A -4 GLY HA2 . 11424 1 33 . 1 1 4 4 GLY HA3 H 1 3.979 0.02 . 2 . . . A -4 GLY HA3 . 11424 1 34 . 1 1 4 4 GLY C C 13 174.325 0.2 . 1 . . . A -4 GLY C . 11424 1 35 . 1 1 4 4 GLY CA C 13 45.358 0.2 . 1 . . . A -4 GLY CA . 11424 1 36 . 1 1 4 4 GLY N N 15 110.013 0.2 . 1 . . . A -4 GLY N . 11424 1 37 . 1 1 5 5 SER H H 1 8.223 0.02 . 1 . . . A -3 SER H . 11424 1 38 . 1 1 5 5 SER HA H 1 4.415 0.02 . 1 . . . A -3 SER HA . 11424 1 39 . 1 1 5 5 SER HB2 H 1 3.855 0.02 . 2 . . . A -3 SER HB2 . 11424 1 40 . 1 1 5 5 SER HB3 H 1 3.788 0.02 . 2 . . . A -3 SER HB3 . 11424 1 41 . 1 1 5 5 SER C C 13 174.298 0.2 . 1 . . . A -3 SER C . 11424 1 42 . 1 1 5 5 SER CA C 13 58.525 0.2 . 1 . . . A -3 SER CA . 11424 1 43 . 1 1 5 5 SER CB C 13 63.948 0.2 . 1 . . . A -3 SER CB . 11424 1 44 . 1 1 5 5 SER N N 15 115.146 0.2 . 1 . . . A -3 SER N . 11424 1 45 . 1 1 6 6 ASP H H 1 8.436 0.02 . 1 . . . A -2 ASP H . 11424 1 46 . 1 1 6 6 ASP HA H 1 4.534 0.02 . 1 . . . A -2 ASP HA . 11424 1 47 . 1 1 6 6 ASP HB2 H 1 2.599 0.02 . 2 . . . A -2 ASP HB2 . 11424 1 48 . 1 1 6 6 ASP HB3 H 1 2.572 0.02 . 2 . . . A -2 ASP HB3 . 11424 1 49 . 1 1 6 6 ASP C C 13 175.959 0.2 . 1 . . . A -2 ASP C . 11424 1 50 . 1 1 6 6 ASP CA C 13 54.409 0.2 . 1 . . . A -2 ASP CA . 11424 1 51 . 1 1 6 6 ASP CB C 13 41.076 0.2 . 1 . . . A -2 ASP CB . 11424 1 52 . 1 1 6 6 ASP N N 15 121.798 0.2 . 1 . . . A -2 ASP N . 11424 1 53 . 1 1 7 7 HIS H H 1 8.207 0.02 . 1 . . . A -1 HIS H . 11424 1 54 . 1 1 7 7 HIS HA H 1 4.612 0.02 . 1 . . . A -1 HIS HA . 11424 1 55 . 1 1 7 7 HIS HB2 H 1 2.965 0.02 . 2 . . . A -1 HIS HB2 . 11424 1 56 . 1 1 7 7 HIS HB3 H 1 2.965 0.02 . 2 . . . A -1 HIS HB3 . 11424 1 57 . 1 1 7 7 HIS HD2 H 1 8.247 0.02 . 1 . . . A -1 HIS HD2 . 11424 1 58 . 1 1 7 7 HIS C C 13 174.322 0.2 . 1 . . . A -1 HIS C . 11424 1 59 . 1 1 7 7 HIS CA C 13 55.815 0.2 . 1 . . . A -1 HIS CA . 11424 1 60 . 1 1 7 7 HIS CB C 13 30.072 0.2 . 1 . . . A -1 HIS CB . 11424 1 61 . 1 1 7 7 HIS N N 15 117.918 0.2 . 1 . . . A -1 HIS N . 11424 1 62 . 1 1 8 8 ILE H H 1 8.086 0.02 . 1 . . . A 1 ILE H . 11424 1 63 . 1 1 8 8 ILE HA H 1 4.108 0.02 . 1 . . . A 1 ILE HA . 11424 1 64 . 1 1 8 8 ILE HB H 1 1.735 0.02 . 1 . . . A 1 ILE HB . 11424 1 65 . 1 1 8 8 ILE HG12 H 1 1.188 0.02 . 1 . . . A 1 ILE HG12 . 11424 1 66 . 1 1 8 8 ILE HG13 H 1 1.010 0.02 . 1 . . . A 1 ILE HG13 . 11424 1 67 . 1 1 8 8 ILE HG21 H 1 0.595 0.02 . 1 . . . A 1 ILE HG21 . 11424 1 68 . 1 1 8 8 ILE HG22 H 1 0.595 0.02 . 1 . . . A 1 ILE HG22 . 11424 1 69 . 1 1 8 8 ILE HG23 H 1 0.595 0.02 . 1 . . . A 1 ILE HG23 . 11424 1 70 . 1 1 8 8 ILE HD11 H 1 0.733 0.02 . 1 . . . A 1 ILE HD11 . 11424 1 71 . 1 1 8 8 ILE HD12 H 1 0.733 0.02 . 1 . . . A 1 ILE HD12 . 11424 1 72 . 1 1 8 8 ILE HD13 H 1 0.733 0.02 . 1 . . . A 1 ILE HD13 . 11424 1 73 . 1 1 8 8 ILE C C 13 174.966 0.2 . 1 . . . A 1 ILE C . 11424 1 74 . 1 1 8 8 ILE CA C 13 61.317 0.2 . 1 . . . A 1 ILE CA . 11424 1 75 . 1 1 8 8 ILE CB C 13 39.223 0.2 . 1 . . . A 1 ILE CB . 11424 1 76 . 1 1 8 8 ILE CG1 C 13 26.995 0.2 . 1 . . . A 1 ILE CG1 . 11424 1 77 . 1 1 8 8 ILE CG2 C 13 17.543 0.2 . 1 . . . A 1 ILE CG2 . 11424 1 78 . 1 1 8 8 ILE CD1 C 13 12.874 0.2 . 1 . . . A 1 ILE CD1 . 11424 1 79 . 1 1 8 8 ILE N N 15 119.868 0.2 . 1 . . . A 1 ILE N . 11424 1 80 . 1 1 9 9 TRP H H 1 8.245 0.02 . 1 . . . A 2 TRP H . 11424 1 81 . 1 1 9 9 TRP HA H 1 5.001 0.02 . 1 . . . A 2 TRP HA . 11424 1 82 . 1 1 9 9 TRP HB2 H 1 2.999 0.02 . 2 . . . A 2 TRP HB2 . 11424 1 83 . 1 1 9 9 TRP HB3 H 1 2.920 0.02 . 2 . . . A 2 TRP HB3 . 11424 1 84 . 1 1 9 9 TRP HD1 H 1 7.162 0.02 . 1 . . . A 2 TRP HD1 . 11424 1 85 . 1 1 9 9 TRP C C 13 176.141 0.2 . 1 . . . A 2 TRP C . 11424 1 86 . 1 1 9 9 TRP CA C 13 55.819 0.2 . 1 . . . A 2 TRP CA . 11424 1 87 . 1 1 9 9 TRP CB C 13 31.578 0.2 . 1 . . . A 2 TRP CB . 11424 1 88 . 1 1 9 9 TRP CD1 C 13 121.163 0.2 . 1 . . . A 2 TRP CD1 . 11424 1 89 . 1 1 9 9 TRP N N 15 122.050 0.2 . 1 . . . A 2 TRP N . 11424 1 90 . 1 1 10 10 GLU H H 1 9.363 0.02 . 1 . . . A 3 GLU H . 11424 1 91 . 1 1 10 10 GLU HA H 1 4.648 0.02 . 1 . . . A 3 GLU HA . 11424 1 92 . 1 1 10 10 GLU HB2 H 1 1.951 0.02 . 2 . . . A 3 GLU HB2 . 11424 1 93 . 1 1 10 10 GLU HB3 H 1 1.951 0.02 . 2 . . . A 3 GLU HB3 . 11424 1 94 . 1 1 10 10 GLU HG2 H 1 2.177 0.02 . 2 . . . A 3 GLU HG2 . 11424 1 95 . 1 1 10 10 GLU HG3 H 1 2.177 0.02 . 2 . . . A 3 GLU HG3 . 11424 1 96 . 1 1 10 10 GLU C C 13 175.274 0.2 . 1 . . . A 3 GLU C . 11424 1 97 . 1 1 10 10 GLU CA C 13 54.848 0.2 . 1 . . . A 3 GLU CA . 11424 1 98 . 1 1 10 10 GLU CB C 13 33.044 0.2 . 1 . . . A 3 GLU CB . 11424 1 99 . 1 1 10 10 GLU CG C 13 36.315 0.2 . 1 . . . A 3 GLU CG . 11424 1 100 . 1 1 10 10 GLU N N 15 122.189 0.2 . 1 . . . A 3 GLU N . 11424 1 101 . 1 1 11 11 GLN H H 1 8.687 0.02 . 1 . . . A 4 GLN H . 11424 1 102 . 1 1 11 11 GLN HA H 1 5.497 0.02 . 1 . . . A 4 GLN HA . 11424 1 103 . 1 1 11 11 GLN HB2 H 1 1.879 0.02 . 2 . . . A 4 GLN HB2 . 11424 1 104 . 1 1 11 11 GLN HB3 H 1 1.879 0.02 . 2 . . . A 4 GLN HB3 . 11424 1 105 . 1 1 11 11 GLN HG2 H 1 2.222 0.02 . 1 . . . A 4 GLN HG2 . 11424 1 106 . 1 1 11 11 GLN HG3 H 1 2.093 0.02 . 1 . . . A 4 GLN HG3 . 11424 1 107 . 1 1 11 11 GLN C C 13 175.599 0.2 . 1 . . . A 4 GLN C . 11424 1 108 . 1 1 11 11 GLN CA C 13 54.807 0.2 . 1 . . . A 4 GLN CA . 11424 1 109 . 1 1 11 11 GLN CB C 13 31.748 0.2 . 1 . . . A 4 GLN CB . 11424 1 110 . 1 1 11 11 GLN CG C 13 35.022 0.2 . 1 . . . A 4 GLN CG . 11424 1 111 . 1 1 11 11 GLN N N 15 123.454 0.2 . 1 . . . A 4 GLN N . 11424 1 112 . 1 1 12 12 HIS H H 1 8.657 0.02 . 1 . . . A 5 HIS H . 11424 1 113 . 1 1 12 12 HIS HA H 1 4.860 0.02 . 1 . . . A 5 HIS HA . 11424 1 114 . 1 1 12 12 HIS HB2 H 1 2.720 0.02 . 1 . . . A 5 HIS HB2 . 11424 1 115 . 1 1 12 12 HIS HB3 H 1 3.090 0.02 . 1 . . . A 5 HIS HB3 . 11424 1 116 . 1 1 12 12 HIS HD2 H 1 7.028 0.02 . 1 . . . A 5 HIS HD2 . 11424 1 117 . 1 1 12 12 HIS C C 13 173.510 0.2 . 1 . . . A 5 HIS C . 11424 1 118 . 1 1 12 12 HIS CA C 13 55.139 0.2 . 1 . . . A 5 HIS CA . 11424 1 119 . 1 1 12 12 HIS CB C 13 33.194 0.2 . 1 . . . A 5 HIS CB . 11424 1 120 . 1 1 12 12 HIS CD2 C 13 120.039 0.2 . 1 . . . A 5 HIS CD2 . 11424 1 121 . 1 1 12 12 HIS N N 15 120.338 0.2 . 1 . . . A 5 HIS N . 11424 1 122 . 1 1 13 13 THR H H 1 9.039 0.02 . 1 . . . A 6 THR H . 11424 1 123 . 1 1 13 13 THR HA H 1 5.285 0.02 . 1 . . . A 6 THR HA . 11424 1 124 . 1 1 13 13 THR HB H 1 3.881 0.02 . 1 . . . A 6 THR HB . 11424 1 125 . 1 1 13 13 THR HG21 H 1 0.988 0.02 . 1 . . . A 6 THR HG21 . 11424 1 126 . 1 1 13 13 THR HG22 H 1 0.988 0.02 . 1 . . . A 6 THR HG22 . 11424 1 127 . 1 1 13 13 THR HG23 H 1 0.988 0.02 . 1 . . . A 6 THR HG23 . 11424 1 128 . 1 1 13 13 THR C C 13 173.591 0.2 . 1 . . . A 6 THR C . 11424 1 129 . 1 1 13 13 THR CA C 13 62.338 0.2 . 1 . . . A 6 THR CA . 11424 1 130 . 1 1 13 13 THR CB C 13 70.361 0.2 . 1 . . . A 6 THR CB . 11424 1 131 . 1 1 13 13 THR CG2 C 13 21.493 0.2 . 1 . . . A 6 THR CG2 . 11424 1 132 . 1 1 13 13 THR N N 15 119.867 0.2 . 1 . . . A 6 THR N . 11424 1 133 . 1 1 14 14 VAL H H 1 9.112 0.02 . 1 . . . A 7 VAL H . 11424 1 134 . 1 1 14 14 VAL HA H 1 4.571 0.02 . 1 . . . A 7 VAL HA . 11424 1 135 . 1 1 14 14 VAL HB H 1 2.011 0.02 . 1 . . . A 7 VAL HB . 11424 1 136 . 1 1 14 14 VAL HG11 H 1 0.811 0.02 . 2 . . . A 7 VAL HG11 . 11424 1 137 . 1 1 14 14 VAL HG12 H 1 0.811 0.02 . 2 . . . A 7 VAL HG12 . 11424 1 138 . 1 1 14 14 VAL HG13 H 1 0.811 0.02 . 2 . . . A 7 VAL HG13 . 11424 1 139 . 1 1 14 14 VAL HG21 H 1 0.755 0.02 . 2 . . . A 7 VAL HG21 . 11424 1 140 . 1 1 14 14 VAL HG22 H 1 0.755 0.02 . 2 . . . A 7 VAL HG22 . 11424 1 141 . 1 1 14 14 VAL HG23 H 1 0.755 0.02 . 2 . . . A 7 VAL HG23 . 11424 1 142 . 1 1 14 14 VAL C C 13 174.041 0.2 . 1 . . . A 7 VAL C . 11424 1 143 . 1 1 14 14 VAL CA C 13 59.363 0.2 . 1 . . . A 7 VAL CA . 11424 1 144 . 1 1 14 14 VAL CB C 13 35.240 0.2 . 1 . . . A 7 VAL CB . 11424 1 145 . 1 1 14 14 VAL CG1 C 13 21.405 0.2 . 1 . . . A 7 VAL CG1 . 11424 1 146 . 1 1 14 14 VAL CG2 C 13 19.792 0.2 . 1 . . . A 7 VAL CG2 . 11424 1 147 . 1 1 14 14 VAL N N 15 123.923 0.2 . 1 . . . A 7 VAL N . 11424 1 148 . 1 1 15 15 THR H H 1 8.722 0.02 . 1 . . . A 8 THR H . 11424 1 149 . 1 1 15 15 THR HA H 1 5.015 0.02 . 1 . . . A 8 THR HA . 11424 1 150 . 1 1 15 15 THR HB H 1 3.907 0.02 . 1 . . . A 8 THR HB . 11424 1 151 . 1 1 15 15 THR HG21 H 1 0.871 0.02 . 1 . . . A 8 THR HG21 . 11424 1 152 . 1 1 15 15 THR HG22 H 1 0.871 0.02 . 1 . . . A 8 THR HG22 . 11424 1 153 . 1 1 15 15 THR HG23 H 1 0.871 0.02 . 1 . . . A 8 THR HG23 . 11424 1 154 . 1 1 15 15 THR C C 13 173.899 0.2 . 1 . . . A 8 THR C . 11424 1 155 . 1 1 15 15 THR CA C 13 61.730 0.2 . 1 . . . A 8 THR CA . 11424 1 156 . 1 1 15 15 THR CB C 13 69.259 0.2 . 1 . . . A 8 THR CB . 11424 1 157 . 1 1 15 15 THR CG2 C 13 21.219 0.2 . 1 . . . A 8 THR CG2 . 11424 1 158 . 1 1 15 15 THR N N 15 120.464 0.2 . 1 . . . A 8 THR N . 11424 1 159 . 1 1 16 16 LEU H H 1 8.937 0.02 . 1 . . . A 9 LEU H . 11424 1 160 . 1 1 16 16 LEU HA H 1 4.706 0.02 . 1 . . . A 9 LEU HA . 11424 1 161 . 1 1 16 16 LEU HB2 H 1 1.601 0.02 . 1 . . . A 9 LEU HB2 . 11424 1 162 . 1 1 16 16 LEU HB3 H 1 1.450 0.02 . 1 . . . A 9 LEU HB3 . 11424 1 163 . 1 1 16 16 LEU HG H 1 1.480 0.02 . 1 . . . A 9 LEU HG . 11424 1 164 . 1 1 16 16 LEU HD11 H 1 0.732 0.02 . 2 . . . A 9 LEU HD11 . 11424 1 165 . 1 1 16 16 LEU HD12 H 1 0.732 0.02 . 2 . . . A 9 LEU HD12 . 11424 1 166 . 1 1 16 16 LEU HD13 H 1 0.732 0.02 . 2 . . . A 9 LEU HD13 . 11424 1 167 . 1 1 16 16 LEU HD21 H 1 0.732 0.02 . 2 . . . A 9 LEU HD21 . 11424 1 168 . 1 1 16 16 LEU HD22 H 1 0.732 0.02 . 2 . . . A 9 LEU HD22 . 11424 1 169 . 1 1 16 16 LEU HD23 H 1 0.732 0.02 . 2 . . . A 9 LEU HD23 . 11424 1 170 . 1 1 16 16 LEU C C 13 175.558 0.2 . 1 . . . A 9 LEU C . 11424 1 171 . 1 1 16 16 LEU CA C 13 52.556 0.2 . 1 . . . A 9 LEU CA . 11424 1 172 . 1 1 16 16 LEU CB C 13 45.358 0.2 . 1 . . . A 9 LEU CB . 11424 1 173 . 1 1 16 16 LEU CG C 13 26.377 0.2 . 1 . . . A 9 LEU CG . 11424 1 174 . 1 1 16 16 LEU CD1 C 13 22.986 0.2 . 1 . . . A 9 LEU CD1 . 11424 1 175 . 1 1 16 16 LEU CD2 C 13 22.986 0.2 . 1 . . . A 9 LEU CD2 . 11424 1 176 . 1 1 16 16 LEU N N 15 125.174 0.2 . 1 . . . A 9 LEU N . 11424 1 177 . 1 1 17 17 HIS H H 1 8.406 0.02 . 1 . . . A 10 HIS H . 11424 1 178 . 1 1 17 17 HIS HA H 1 5.490 0.02 . 1 . . . A 10 HIS HA . 11424 1 179 . 1 1 17 17 HIS HB2 H 1 3.177 0.02 . 2 . . . A 10 HIS HB2 . 11424 1 180 . 1 1 17 17 HIS HB3 H 1 3.114 0.02 . 2 . . . A 10 HIS HB3 . 11424 1 181 . 1 1 17 17 HIS HD2 H 1 6.938 0.02 . 1 . . . A 10 HIS HD2 . 11424 1 182 . 1 1 17 17 HIS C C 13 173.919 0.2 . 1 . . . A 10 HIS C . 11424 1 183 . 1 1 17 17 HIS CA C 13 53.751 0.2 . 1 . . . A 10 HIS CA . 11424 1 184 . 1 1 17 17 HIS CB C 13 30.639 0.2 . 1 . . . A 10 HIS CB . 11424 1 185 . 1 1 17 17 HIS CD2 C 13 119.906 0.2 . 1 . . . A 10 HIS CD2 . 11424 1 186 . 1 1 17 17 HIS N N 15 120.314 0.2 . 1 . . . A 10 HIS N . 11424 1 187 . 1 1 18 18 ARG H H 1 8.482 0.02 . 1 . . . A 11 ARG H . 11424 1 188 . 1 1 18 18 ARG HA H 1 3.415 0.02 . 1 . . . A 11 ARG HA . 11424 1 189 . 1 1 18 18 ARG HB2 H 1 1.246 0.02 . 2 . . . A 11 ARG HB2 . 11424 1 190 . 1 1 18 18 ARG HB3 H 1 1.246 0.02 . 2 . . . A 11 ARG HB3 . 11424 1 191 . 1 1 18 18 ARG HG2 H 1 0.650 0.02 . 1 . . . A 11 ARG HG2 . 11424 1 192 . 1 1 18 18 ARG HG3 H 1 0.619 0.02 . 1 . . . A 11 ARG HG3 . 11424 1 193 . 1 1 18 18 ARG HD2 H 1 2.855 0.02 . 2 . . . A 11 ARG HD2 . 11424 1 194 . 1 1 18 18 ARG HD3 H 1 2.744 0.02 . 2 . . . A 11 ARG HD3 . 11424 1 195 . 1 1 18 18 ARG C C 13 175.716 0.2 . 1 . . . A 11 ARG C . 11424 1 196 . 1 1 18 18 ARG CA C 13 56.940 0.2 . 1 . . . A 11 ARG CA . 11424 1 197 . 1 1 18 18 ARG CB C 13 31.120 0.2 . 1 . . . A 11 ARG CB . 11424 1 198 . 1 1 18 18 ARG CG C 13 27.821 0.2 . 1 . . . A 11 ARG CG . 11424 1 199 . 1 1 18 18 ARG CD C 13 43.203 0.2 . 1 . . . A 11 ARG CD . 11424 1 200 . 1 1 18 18 ARG N N 15 122.939 0.2 . 1 . . . A 11 ARG N . 11424 1 201 . 1 1 19 19 ALA H H 1 8.415 0.02 . 1 . . . A 12 ALA H . 11424 1 202 . 1 1 19 19 ALA HA H 1 5.079 0.02 . 1 . . . A 12 ALA HA . 11424 1 203 . 1 1 19 19 ALA HB1 H 1 1.483 0.02 . 1 . . . A 12 ALA HB1 . 11424 1 204 . 1 1 19 19 ALA HB2 H 1 1.483 0.02 . 1 . . . A 12 ALA HB2 . 11424 1 205 . 1 1 19 19 ALA HB3 H 1 1.483 0.02 . 1 . . . A 12 ALA HB3 . 11424 1 206 . 1 1 19 19 ALA C C 13 175.447 0.2 . 1 . . . A 12 ALA C . 11424 1 207 . 1 1 19 19 ALA CA C 13 49.077 0.2 . 1 . . . A 12 ALA CA . 11424 1 208 . 1 1 19 19 ALA CB C 13 21.341 0.2 . 1 . . . A 12 ALA CB . 11424 1 209 . 1 1 19 19 ALA N N 15 127.839 0.2 . 1 . . . A 12 ALA N . 11424 1 210 . 1 1 21 21 GLY HA2 H 1 3.376 0.02 . 2 . . . A 14 GLY HA2 . 11424 1 211 . 1 1 21 21 GLY HA3 H 1 4.045 0.02 . 2 . . . A 14 GLY HA3 . 11424 1 212 . 1 1 21 21 GLY C C 13 174.963 0.2 . 1 . . . A 14 GLY C . 11424 1 213 . 1 1 21 21 GLY CA C 13 46.041 0.2 . 1 . . . A 14 GLY CA . 11424 1 214 . 1 1 22 22 PHE H H 1 7.891 0.02 . 1 . . . A 15 PHE H . 11424 1 215 . 1 1 22 22 PHE HA H 1 4.415 0.02 . 1 . . . A 15 PHE HA . 11424 1 216 . 1 1 22 22 PHE HB2 H 1 2.744 0.02 . 2 . . . A 15 PHE HB2 . 11424 1 217 . 1 1 22 22 PHE HB3 H 1 2.556 0.02 . 2 . . . A 15 PHE HB3 . 11424 1 218 . 1 1 22 22 PHE HD1 H 1 6.940 0.02 . 3 . . . A 15 PHE HD1 . 11424 1 219 . 1 1 22 22 PHE HD2 H 1 6.940 0.02 . 3 . . . A 15 PHE HD2 . 11424 1 220 . 1 1 22 22 PHE HE1 H 1 6.940 0.02 . 3 . . . A 15 PHE HE1 . 11424 1 221 . 1 1 22 22 PHE HE2 H 1 6.940 0.02 . 3 . . . A 15 PHE HE2 . 11424 1 222 . 1 1 22 22 PHE C C 13 178.047 0.2 . 1 . . . A 15 PHE C . 11424 1 223 . 1 1 22 22 PHE CA C 13 58.525 0.2 . 1 . . . A 15 PHE CA . 11424 1 224 . 1 1 22 22 PHE CB C 13 43.097 0.2 . 1 . . . A 15 PHE CB . 11424 1 225 . 1 1 22 22 PHE N N 15 117.035 0.2 . 1 . . . A 15 PHE N . 11424 1 226 . 1 1 23 23 GLY H H 1 8.391 0.02 . 1 . . . A 16 GLY H . 11424 1 227 . 1 1 23 23 GLY HA2 H 1 3.429 0.02 . 2 . . . A 16 GLY HA2 . 11424 1 228 . 1 1 23 23 GLY HA3 H 1 4.057 0.02 . 2 . . . A 16 GLY HA3 . 11424 1 229 . 1 1 23 23 GLY C C 13 175.190 0.2 . 1 . . . A 16 GLY C . 11424 1 230 . 1 1 23 23 GLY CA C 13 46.816 0.2 . 1 . . . A 16 GLY CA . 11424 1 231 . 1 1 23 23 GLY N N 15 110.953 0.2 . 1 . . . A 16 GLY N . 11424 1 232 . 1 1 24 24 PHE H H 1 9.123 0.02 . 1 . . . A 17 PHE H . 11424 1 233 . 1 1 24 24 PHE HA H 1 4.571 0.02 . 1 . . . A 17 PHE HA . 11424 1 234 . 1 1 24 24 PHE HB2 H 1 3.278 0.02 . 2 . . . A 17 PHE HB2 . 11424 1 235 . 1 1 24 24 PHE HB3 H 1 2.600 0.02 . 2 . . . A 17 PHE HB3 . 11424 1 236 . 1 1 24 24 PHE HD1 H 1 6.940 0.02 . 3 . . . A 17 PHE HD1 . 11424 1 237 . 1 1 24 24 PHE HD2 H 1 6.940 0.02 . 3 . . . A 17 PHE HD2 . 11424 1 238 . 1 1 24 24 PHE HE1 H 1 6.940 0.02 . 3 . . . A 17 PHE HE1 . 11424 1 239 . 1 1 24 24 PHE HE2 H 1 6.940 0.02 . 3 . . . A 17 PHE HE2 . 11424 1 240 . 1 1 24 24 PHE C C 13 175.309 0.2 . 1 . . . A 17 PHE C . 11424 1 241 . 1 1 24 24 PHE CA C 13 59.363 0.2 . 1 . . . A 17 PHE CA . 11424 1 242 . 1 1 24 24 PHE CB C 13 39.133 0.2 . 1 . . . A 17 PHE CB . 11424 1 243 . 1 1 24 24 PHE N N 15 124.797 0.2 . 1 . . . A 17 PHE N . 11424 1 244 . 1 1 25 25 GLY H H 1 8.354 0.02 . 1 . . . A 18 GLY H . 11424 1 245 . 1 1 25 25 GLY HA2 H 1 4.057 0.02 . 1 . . . A 18 GLY HA2 . 11424 1 246 . 1 1 25 25 GLY HA3 H 1 3.832 0.02 . 1 . . . A 18 GLY HA3 . 11424 1 247 . 1 1 25 25 GLY C C 13 174.605 0.2 . 1 . . . A 18 GLY C . 11424 1 248 . 1 1 25 25 GLY CA C 13 47.016 0.2 . 1 . . . A 18 GLY CA . 11424 1 249 . 1 1 25 25 GLY N N 15 102.239 0.2 . 1 . . . A 18 GLY N . 11424 1 250 . 1 1 26 26 ILE H H 1 7.462 0.02 . 1 . . . A 19 ILE H . 11424 1 251 . 1 1 26 26 ILE HA H 1 5.277 0.02 . 1 . . . A 19 ILE HA . 11424 1 252 . 1 1 26 26 ILE HB H 1 1.730 0.02 . 1 . . . A 19 ILE HB . 11424 1 253 . 1 1 26 26 ILE HG12 H 1 1.710 0.02 . 1 . . . A 19 ILE HG12 . 11424 1 254 . 1 1 26 26 ILE HG13 H 1 1.315 0.02 . 1 . . . A 19 ILE HG13 . 11424 1 255 . 1 1 26 26 ILE HG21 H 1 0.835 0.02 . 1 . . . A 19 ILE HG21 . 11424 1 256 . 1 1 26 26 ILE HG22 H 1 0.835 0.02 . 1 . . . A 19 ILE HG22 . 11424 1 257 . 1 1 26 26 ILE HG23 H 1 0.835 0.02 . 1 . . . A 19 ILE HG23 . 11424 1 258 . 1 1 26 26 ILE HD11 H 1 0.439 0.02 . 1 . . . A 19 ILE HD11 . 11424 1 259 . 1 1 26 26 ILE HD12 H 1 0.439 0.02 . 1 . . . A 19 ILE HD12 . 11424 1 260 . 1 1 26 26 ILE HD13 H 1 0.439 0.02 . 1 . . . A 19 ILE HD13 . 11424 1 261 . 1 1 26 26 ILE C C 13 173.798 0.2 . 1 . . . A 19 ILE C . 11424 1 262 . 1 1 26 26 ILE CA C 13 58.886 0.2 . 1 . . . A 19 ILE CA . 11424 1 263 . 1 1 26 26 ILE CB C 13 43.418 0.2 . 1 . . . A 19 ILE CB . 11424 1 264 . 1 1 26 26 ILE CG1 C 13 25.026 0.2 . 1 . . . A 19 ILE CG1 . 11424 1 265 . 1 1 26 26 ILE CG2 C 13 19.763 0.2 . 1 . . . A 19 ILE CG2 . 11424 1 266 . 1 1 26 26 ILE CD1 C 13 12.767 0.2 . 1 . . . A 19 ILE CD1 . 11424 1 267 . 1 1 26 26 ILE N N 15 110.999 0.2 . 1 . . . A 19 ILE N . 11424 1 268 . 1 1 27 27 ALA H H 1 8.440 0.02 . 1 . . . A 20 ALA H . 11424 1 269 . 1 1 27 27 ALA HA H 1 4.785 0.02 . 1 . . . A 20 ALA HA . 11424 1 270 . 1 1 27 27 ALA HB1 H 1 1.367 0.02 . 1 . . . A 20 ALA HB1 . 11424 1 271 . 1 1 27 27 ALA HB2 H 1 1.367 0.02 . 1 . . . A 20 ALA HB2 . 11424 1 272 . 1 1 27 27 ALA HB3 H 1 1.367 0.02 . 1 . . . A 20 ALA HB3 . 11424 1 273 . 1 1 27 27 ALA C C 13 176.476 0.2 . 1 . . . A 20 ALA C . 11424 1 274 . 1 1 27 27 ALA CA C 13 50.807 0.2 . 1 . . . A 20 ALA CA . 11424 1 275 . 1 1 27 27 ALA CB C 13 22.488 0.2 . 1 . . . A 20 ALA CB . 11424 1 276 . 1 1 27 27 ALA N N 15 124.451 0.2 . 1 . . . A 20 ALA N . 11424 1 277 . 1 1 28 28 ILE H H 1 8.514 0.02 . 1 . . . A 21 ILE H . 11424 1 278 . 1 1 28 28 ILE HA H 1 5.454 0.02 . 1 . . . A 21 ILE HA . 11424 1 279 . 1 1 28 28 ILE HB H 1 1.724 0.02 . 1 . . . A 21 ILE HB . 11424 1 280 . 1 1 28 28 ILE HG12 H 1 1.315 0.02 . 2 . . . A 21 ILE HG12 . 11424 1 281 . 1 1 28 28 ILE HG13 H 1 0.900 0.02 . 2 . . . A 21 ILE HG13 . 11424 1 282 . 1 1 28 28 ILE HG21 H 1 0.638 0.02 . 1 . . . A 21 ILE HG21 . 11424 1 283 . 1 1 28 28 ILE HG22 H 1 0.638 0.02 . 1 . . . A 21 ILE HG22 . 11424 1 284 . 1 1 28 28 ILE HG23 H 1 0.638 0.02 . 1 . . . A 21 ILE HG23 . 11424 1 285 . 1 1 28 28 ILE HD11 H 1 0.459 0.02 . 1 . . . A 21 ILE HD11 . 11424 1 286 . 1 1 28 28 ILE HD12 H 1 0.459 0.02 . 1 . . . A 21 ILE HD12 . 11424 1 287 . 1 1 28 28 ILE HD13 H 1 0.459 0.02 . 1 . . . A 21 ILE HD13 . 11424 1 288 . 1 1 28 28 ILE C C 13 176.155 0.2 . 1 . . . A 21 ILE C . 11424 1 289 . 1 1 28 28 ILE CA C 13 58.417 0.2 . 1 . . . A 21 ILE CA . 11424 1 290 . 1 1 28 28 ILE CB C 13 42.097 0.2 . 1 . . . A 21 ILE CB . 11424 1 291 . 1 1 28 28 ILE CG1 C 13 25.135 0.2 . 1 . . . A 21 ILE CG1 . 11424 1 292 . 1 1 28 28 ILE CG2 C 13 18.411 0.2 . 1 . . . A 21 ILE CG2 . 11424 1 293 . 1 1 28 28 ILE CD1 C 13 14.225 0.2 . 1 . . . A 21 ILE CD1 . 11424 1 294 . 1 1 28 28 ILE N N 15 113.385 0.2 . 1 . . . A 21 ILE N . 11424 1 295 . 1 1 29 29 SER H H 1 9.308 0.02 . 1 . . . A 22 SER H . 11424 1 296 . 1 1 29 29 SER HA H 1 4.866 0.02 . 1 . . . A 22 SER HA . 11424 1 297 . 1 1 29 29 SER HB2 H 1 3.587 0.02 . 2 . . . A 22 SER HB2 . 11424 1 298 . 1 1 29 29 SER HB3 H 1 3.474 0.02 . 2 . . . A 22 SER HB3 . 11424 1 299 . 1 1 29 29 SER C C 13 173.228 0.2 . 1 . . . A 22 SER C . 11424 1 300 . 1 1 29 29 SER CA C 13 56.444 0.2 . 1 . . . A 22 SER CA . 11424 1 301 . 1 1 29 29 SER CB C 13 65.920 0.2 . 1 . . . A 22 SER CB . 11424 1 302 . 1 1 29 29 SER N N 15 119.905 0.2 . 1 . . . A 22 SER N . 11424 1 303 . 1 1 30 30 GLY H H 1 8.716 0.02 . 1 . . . A 23 GLY H . 11424 1 304 . 1 1 30 30 GLY HA2 H 1 4.100 0.02 . 2 . . . A 23 GLY HA2 . 11424 1 305 . 1 1 30 30 GLY HA3 H 1 4.909 0.02 . 2 . . . A 23 GLY HA3 . 11424 1 306 . 1 1 30 30 GLY C C 13 174.099 0.2 . 1 . . . A 23 GLY C . 11424 1 307 . 1 1 31 31 GLY H H 1 6.497 0.02 . 1 . . . A 24 GLY H . 11424 1 308 . 1 1 31 31 GLY HA2 H 1 4.027 0.02 . 1 . . . A 24 GLY HA2 . 11424 1 309 . 1 1 31 31 GLY HA3 H 1 4.686 0.02 . 1 . . . A 24 GLY HA3 . 11424 1 310 . 1 1 31 31 GLY C C 13 176.024 0.2 . 1 . . . A 24 GLY C . 11424 1 311 . 1 1 31 31 GLY CA C 13 44.193 0.2 . 1 . . . A 24 GLY CA . 11424 1 312 . 1 1 31 31 GLY N N 15 106.321 0.2 . 1 . . . A 24 GLY N . 11424 1 313 . 1 1 32 32 ARG H H 1 8.781 0.02 . 1 . . . A 25 ARG H . 11424 1 314 . 1 1 32 32 ARG HA H 1 3.952 0.02 . 1 . . . A 25 ARG HA . 11424 1 315 . 1 1 32 32 ARG HB2 H 1 1.767 0.02 . 1 . . . A 25 ARG HB2 . 11424 1 316 . 1 1 32 32 ARG HB3 H 1 1.424 0.02 . 1 . . . A 25 ARG HB3 . 11424 1 317 . 1 1 32 32 ARG HG2 H 1 1.274 0.02 . 2 . . . A 25 ARG HG2 . 11424 1 318 . 1 1 32 32 ARG HG3 H 1 1.274 0.02 . 2 . . . A 25 ARG HG3 . 11424 1 319 . 1 1 32 32 ARG HD2 H 1 2.967 0.02 . 2 . . . A 25 ARG HD2 . 11424 1 320 . 1 1 32 32 ARG HD3 H 1 2.967 0.02 . 2 . . . A 25 ARG HD3 . 11424 1 321 . 1 1 32 32 ARG C C 13 175.698 0.2 . 1 . . . A 25 ARG C . 11424 1 322 . 1 1 32 32 ARG CA C 13 58.489 0.2 . 1 . . . A 25 ARG CA . 11424 1 323 . 1 1 32 32 ARG CB C 13 30.078 0.2 . 1 . . . A 25 ARG CB . 11424 1 324 . 1 1 32 32 ARG CG C 13 26.355 0.2 . 1 . . . A 25 ARG CG . 11424 1 325 . 1 1 32 32 ARG CD C 13 43.554 0.2 . 1 . . . A 25 ARG CD . 11424 1 326 . 1 1 32 32 ARG N N 15 118.337 0.2 . 1 . . . A 25 ARG N . 11424 1 327 . 1 1 33 33 ASP H H 1 9.929 0.02 . 1 . . . A 26 ASP H . 11424 1 328 . 1 1 33 33 ASP HA H 1 4.492 0.02 . 1 . . . A 26 ASP HA . 11424 1 329 . 1 1 33 33 ASP HB2 H 1 2.817 0.02 . 2 . . . A 26 ASP HB2 . 11424 1 330 . 1 1 33 33 ASP HB3 H 1 2.732 0.02 . 2 . . . A 26 ASP HB3 . 11424 1 331 . 1 1 33 33 ASP C C 13 175.701 0.2 . 1 . . . A 26 ASP C . 11424 1 332 . 1 1 33 33 ASP CA C 13 52.811 0.2 . 1 . . . A 26 ASP CA . 11424 1 333 . 1 1 33 33 ASP CB C 13 39.234 0.2 . 1 . . . A 26 ASP CB . 11424 1 334 . 1 1 33 33 ASP N N 15 113.829 0.2 . 1 . . . A 26 ASP N . 11424 1 335 . 1 1 34 34 ASN H H 1 7.302 0.02 . 1 . . . A 27 ASN H . 11424 1 336 . 1 1 34 34 ASN HA H 1 4.364 0.02 . 1 . . . A 27 ASN HA . 11424 1 337 . 1 1 34 34 ASN HB2 H 1 2.390 0.02 . 2 . . . A 27 ASN HB2 . 11424 1 338 . 1 1 34 34 ASN HB3 H 1 2.390 0.02 . 2 . . . A 27 ASN HB3 . 11424 1 339 . 1 1 34 34 ASN C C 13 170.148 0.2 . 1 . . . A 27 ASN C . 11424 1 340 . 1 1 34 34 ASN CA C 13 51.319 0.2 . 1 . . . A 27 ASN CA . 11424 1 341 . 1 1 34 34 ASN CB C 13 39.248 0.2 . 1 . . . A 27 ASN CB . 11424 1 342 . 1 1 34 34 ASN N N 15 117.856 0.2 . 1 . . . A 27 ASN N . 11424 1 343 . 1 1 39 39 SER HA H 1 4.459 0.02 . 1 . . . A 32 SER HA . 11424 1 344 . 1 1 39 39 SER HB2 H 1 3.475 0.02 . 2 . . . A 32 SER HB2 . 11424 1 345 . 1 1 39 39 SER HB3 H 1 3.475 0.02 . 2 . . . A 32 SER HB3 . 11424 1 346 . 1 1 39 39 SER C C 13 175.969 0.2 . 1 . . . A 32 SER C . 11424 1 347 . 1 1 39 39 SER CA C 13 58.656 0.2 . 1 . . . A 32 SER CA . 11424 1 348 . 1 1 39 39 SER CB C 13 63.644 0.2 . 1 . . . A 32 SER CB . 11424 1 349 . 1 1 40 40 GLY H H 1 8.194 0.02 . 1 . . . A 33 GLY H . 11424 1 350 . 1 1 40 40 GLY HA2 H 1 3.603 0.02 . 2 . . . A 33 GLY HA2 . 11424 1 351 . 1 1 40 40 GLY HA3 H 1 4.287 0.02 . 2 . . . A 33 GLY HA3 . 11424 1 352 . 1 1 40 40 GLY C C 13 173.539 0.2 . 1 . . . A 33 GLY C . 11424 1 353 . 1 1 40 40 GLY CA C 13 45.245 0.2 . 1 . . . A 33 GLY CA . 11424 1 354 . 1 1 40 40 GLY N N 15 110.327 0.2 . 1 . . . A 33 GLY N . 11424 1 355 . 1 1 41 41 GLU H H 1 7.873 0.02 . 1 . . . A 34 GLU H . 11424 1 356 . 1 1 41 41 GLU HA H 1 4.240 0.02 . 1 . . . A 34 GLU HA . 11424 1 357 . 1 1 41 41 GLU HB2 H 1 2.039 0.02 . 1 . . . A 34 GLU HB2 . 11424 1 358 . 1 1 41 41 GLU HB3 H 1 1.902 0.02 . 1 . . . A 34 GLU HB3 . 11424 1 359 . 1 1 41 41 GLU HG2 H 1 2.481 0.02 . 2 . . . A 34 GLU HG2 . 11424 1 360 . 1 1 41 41 GLU HG3 H 1 2.177 0.02 . 2 . . . A 34 GLU HG3 . 11424 1 361 . 1 1 41 41 GLU C C 13 178.690 0.2 . 1 . . . A 34 GLU C . 11424 1 362 . 1 1 41 41 GLU CA C 13 56.666 0.2 . 1 . . . A 34 GLU CA . 11424 1 363 . 1 1 41 41 GLU CB C 13 29.244 0.2 . 1 . . . A 34 GLU CB . 11424 1 364 . 1 1 41 41 GLU CG C 13 36.124 0.2 . 1 . . . A 34 GLU CG . 11424 1 365 . 1 1 41 41 GLU N N 15 121.472 0.2 . 1 . . . A 34 GLU N . 11424 1 366 . 1 1 42 42 THR H H 1 8.880 0.02 . 1 . . . A 35 THR H . 11424 1 367 . 1 1 42 42 THR HA H 1 4.103 0.02 . 1 . . . A 35 THR HA . 11424 1 368 . 1 1 42 42 THR HB H 1 4.331 0.02 . 1 . . . A 35 THR HB . 11424 1 369 . 1 1 42 42 THR HG21 H 1 1.367 0.02 . 1 . . . A 35 THR HG21 . 11424 1 370 . 1 1 42 42 THR HG22 H 1 1.367 0.02 . 1 . . . A 35 THR HG22 . 11424 1 371 . 1 1 42 42 THR HG23 H 1 1.367 0.02 . 1 . . . A 35 THR HG23 . 11424 1 372 . 1 1 42 42 THR C C 13 175.190 0.2 . 1 . . . A 35 THR C . 11424 1 373 . 1 1 42 42 THR CA C 13 62.109 0.2 . 1 . . . A 35 THR CA . 11424 1 374 . 1 1 42 42 THR CB C 13 70.142 0.2 . 1 . . . A 35 THR CB . 11424 1 375 . 1 1 42 42 THR CG2 C 13 22.565 0.2 . 1 . . . A 35 THR CG2 . 11424 1 376 . 1 1 42 42 THR N N 15 116.863 0.2 . 1 . . . A 35 THR N . 11424 1 377 . 1 1 43 43 SER H H 1 7.307 0.02 . 1 . . . A 36 SER H . 11424 1 378 . 1 1 43 43 SER HA H 1 4.415 0.02 . 1 . . . A 36 SER HA . 11424 1 379 . 1 1 43 43 SER HB2 H 1 3.855 0.02 . 2 . . . A 36 SER HB2 . 11424 1 380 . 1 1 43 43 SER HB3 H 1 3.788 0.02 . 2 . . . A 36 SER HB3 . 11424 1 381 . 1 1 43 43 SER C C 13 174.114 0.2 . 1 . . . A 36 SER C . 11424 1 382 . 1 1 43 43 SER CA C 13 58.525 0.2 . 1 . . . A 36 SER CA . 11424 1 383 . 1 1 43 43 SER CB C 13 63.948 0.2 . 1 . . . A 36 SER CB . 11424 1 384 . 1 1 43 43 SER N N 15 115.714 0.2 . 1 . . . A 36 SER N . 11424 1 385 . 1 1 44 44 ILE H H 1 9.331 0.02 . 1 . . . A 37 ILE H . 11424 1 386 . 1 1 44 44 ILE HA H 1 4.703 0.02 . 1 . . . A 37 ILE HA . 11424 1 387 . 1 1 44 44 ILE HB H 1 2.093 0.02 . 1 . . . A 37 ILE HB . 11424 1 388 . 1 1 44 44 ILE HG12 H 1 1.188 0.02 . 2 . . . A 37 ILE HG12 . 11424 1 389 . 1 1 44 44 ILE HG13 H 1 1.188 0.02 . 2 . . . A 37 ILE HG13 . 11424 1 390 . 1 1 44 44 ILE HG21 H 1 0.740 0.02 . 1 . . . A 37 ILE HG21 . 11424 1 391 . 1 1 44 44 ILE HG22 H 1 0.740 0.02 . 1 . . . A 37 ILE HG22 . 11424 1 392 . 1 1 44 44 ILE HG23 H 1 0.740 0.02 . 1 . . . A 37 ILE HG23 . 11424 1 393 . 1 1 44 44 ILE HD11 H 1 0.604 0.02 . 1 . . . A 37 ILE HD11 . 11424 1 394 . 1 1 44 44 ILE HD12 H 1 0.604 0.02 . 1 . . . A 37 ILE HD12 . 11424 1 395 . 1 1 44 44 ILE HD13 H 1 0.604 0.02 . 1 . . . A 37 ILE HD13 . 11424 1 396 . 1 1 44 44 ILE C C 13 176.125 0.2 . 1 . . . A 37 ILE C . 11424 1 397 . 1 1 44 44 ILE CA C 13 58.302 0.2 . 1 . . . A 37 ILE CA . 11424 1 398 . 1 1 44 44 ILE CB C 13 35.013 0.2 . 1 . . . A 37 ILE CB . 11424 1 399 . 1 1 44 44 ILE CG1 C 13 26.957 0.2 . 1 . . . A 37 ILE CG1 . 11424 1 400 . 1 1 44 44 ILE CG2 C 13 17.747 0.2 . 1 . . . A 37 ILE CG2 . 11424 1 401 . 1 1 44 44 ILE CD1 C 13 8.074 0.2 . 1 . . . A 37 ILE CD1 . 11424 1 402 . 1 1 44 44 ILE N N 15 126.762 0.2 . 1 . . . A 37 ILE N . 11424 1 403 . 1 1 45 45 VAL H H 1 8.705 0.02 . 1 . . . A 38 VAL H . 11424 1 404 . 1 1 45 45 VAL HA H 1 5.136 0.02 . 1 . . . A 38 VAL HA . 11424 1 405 . 1 1 45 45 VAL HB H 1 1.663 0.02 . 1 . . . A 38 VAL HB . 11424 1 406 . 1 1 45 45 VAL HG11 H 1 0.687 0.02 . 2 . . . A 38 VAL HG11 . 11424 1 407 . 1 1 45 45 VAL HG12 H 1 0.687 0.02 . 2 . . . A 38 VAL HG12 . 11424 1 408 . 1 1 45 45 VAL HG13 H 1 0.687 0.02 . 2 . . . A 38 VAL HG13 . 11424 1 409 . 1 1 45 45 VAL HG21 H 1 0.606 0.02 . 2 . . . A 38 VAL HG21 . 11424 1 410 . 1 1 45 45 VAL HG22 H 1 0.606 0.02 . 2 . . . A 38 VAL HG22 . 11424 1 411 . 1 1 45 45 VAL HG23 H 1 0.606 0.02 . 2 . . . A 38 VAL HG23 . 11424 1 412 . 1 1 45 45 VAL C C 13 175.211 0.2 . 1 . . . A 38 VAL C . 11424 1 413 . 1 1 45 45 VAL CA C 13 59.081 0.2 . 1 . . . A 38 VAL CA . 11424 1 414 . 1 1 45 45 VAL CB C 13 36.252 0.2 . 1 . . . A 38 VAL CB . 11424 1 415 . 1 1 45 45 VAL CG1 C 13 21.363 0.2 . 1 . . . A 38 VAL CG1 . 11424 1 416 . 1 1 45 45 VAL CG2 C 13 20.790 0.2 . 1 . . . A 38 VAL CG2 . 11424 1 417 . 1 1 45 45 VAL N N 15 124.921 0.2 . 1 . . . A 38 VAL N . 11424 1 418 . 1 1 46 46 ILE H H 1 8.613 0.02 . 1 . . . A 39 ILE H . 11424 1 419 . 1 1 46 46 ILE HA H 1 4.392 0.02 . 1 . . . A 39 ILE HA . 11424 1 420 . 1 1 46 46 ILE HB H 1 2.222 0.02 . 1 . . . A 39 ILE HB . 11424 1 421 . 1 1 46 46 ILE HG12 H 1 1.349 0.02 . 2 . . . A 39 ILE HG12 . 11424 1 422 . 1 1 46 46 ILE HG13 H 1 1.349 0.02 . 2 . . . A 39 ILE HG13 . 11424 1 423 . 1 1 46 46 ILE HG21 H 1 0.638 0.02 . 1 . . . A 39 ILE HG21 . 11424 1 424 . 1 1 46 46 ILE HG22 H 1 0.638 0.02 . 1 . . . A 39 ILE HG22 . 11424 1 425 . 1 1 46 46 ILE HG23 H 1 0.638 0.02 . 1 . . . A 39 ILE HG23 . 11424 1 426 . 1 1 46 46 ILE HD11 H 1 0.616 0.02 . 1 . . . A 39 ILE HD11 . 11424 1 427 . 1 1 46 46 ILE HD12 H 1 0.616 0.02 . 1 . . . A 39 ILE HD12 . 11424 1 428 . 1 1 46 46 ILE HD13 H 1 0.616 0.02 . 1 . . . A 39 ILE HD13 . 11424 1 429 . 1 1 46 46 ILE C C 13 175.033 0.2 . 1 . . . A 39 ILE C . 11424 1 430 . 1 1 46 46 ILE CA C 13 59.573 0.2 . 1 . . . A 39 ILE CA . 11424 1 431 . 1 1 46 46 ILE CB C 13 35.031 0.2 . 1 . . . A 39 ILE CB . 11424 1 432 . 1 1 46 46 ILE CG1 C 13 20.500 0.2 . 1 . . . A 39 ILE CG1 . 11424 1 433 . 1 1 46 46 ILE CG2 C 13 18.411 0.2 . 1 . . . A 39 ILE CG2 . 11424 1 434 . 1 1 46 46 ILE CD1 C 13 12.180 0.2 . 1 . . . A 39 ILE CD1 . 11424 1 435 . 1 1 46 46 ILE N N 15 123.054 0.2 . 1 . . . A 39 ILE N . 11424 1 436 . 1 1 47 47 SER H H 1 9.044 0.02 . 1 . . . A 40 SER H . 11424 1 437 . 1 1 47 47 SER HA H 1 4.626 0.02 . 1 . . . A 40 SER HA . 11424 1 438 . 1 1 47 47 SER HB2 H 1 3.929 0.02 . 2 . . . A 40 SER HB2 . 11424 1 439 . 1 1 47 47 SER HB3 H 1 3.929 0.02 . 2 . . . A 40 SER HB3 . 11424 1 440 . 1 1 47 47 SER C C 13 174.243 0.2 . 1 . . . A 40 SER C . 11424 1 441 . 1 1 47 47 SER CA C 13 57.957 0.2 . 1 . . . A 40 SER CA . 11424 1 442 . 1 1 47 47 SER CB C 13 64.495 0.2 . 1 . . . A 40 SER CB . 11424 1 443 . 1 1 47 47 SER N N 15 125.350 0.2 . 1 . . . A 40 SER N . 11424 1 444 . 1 1 48 48 ASP H H 1 7.381 0.02 . 1 . . . A 41 ASP H . 11424 1 445 . 1 1 48 48 ASP HA H 1 4.761 0.02 . 1 . . . A 41 ASP HA . 11424 1 446 . 1 1 48 48 ASP HB2 H 1 2.311 0.02 . 1 . . . A 41 ASP HB2 . 11424 1 447 . 1 1 48 48 ASP HB3 H 1 2.592 0.02 . 1 . . . A 41 ASP HB3 . 11424 1 448 . 1 1 48 48 ASP C C 13 174.109 0.2 . 1 . . . A 41 ASP C . 11424 1 449 . 1 1 48 48 ASP CA C 13 55.125 0.2 . 1 . . . A 41 ASP CA . 11424 1 450 . 1 1 48 48 ASP CB C 13 44.495 0.2 . 1 . . . A 41 ASP CB . 11424 1 451 . 1 1 48 48 ASP N N 15 119.138 0.2 . 1 . . . A 41 ASP N . 11424 1 452 . 1 1 49 49 VAL H H 1 8.345 0.02 . 1 . . . A 42 VAL H . 11424 1 453 . 1 1 49 49 VAL HA H 1 4.220 0.02 . 1 . . . A 42 VAL HA . 11424 1 454 . 1 1 49 49 VAL HB H 1 1.874 0.02 . 1 . . . A 42 VAL HB . 11424 1 455 . 1 1 49 49 VAL HG11 H 1 0.719 0.02 . 2 . . . A 42 VAL HG11 . 11424 1 456 . 1 1 49 49 VAL HG12 H 1 0.719 0.02 . 2 . . . A 42 VAL HG12 . 11424 1 457 . 1 1 49 49 VAL HG13 H 1 0.719 0.02 . 2 . . . A 42 VAL HG13 . 11424 1 458 . 1 1 49 49 VAL HG21 H 1 0.568 0.02 . 2 . . . A 42 VAL HG21 . 11424 1 459 . 1 1 49 49 VAL HG22 H 1 0.568 0.02 . 2 . . . A 42 VAL HG22 . 11424 1 460 . 1 1 49 49 VAL HG23 H 1 0.568 0.02 . 2 . . . A 42 VAL HG23 . 11424 1 461 . 1 1 49 49 VAL C C 13 175.216 0.2 . 1 . . . A 42 VAL C . 11424 1 462 . 1 1 49 49 VAL CA C 13 62.067 0.2 . 1 . . . A 42 VAL CA . 11424 1 463 . 1 1 49 49 VAL CB C 13 35.079 0.2 . 1 . . . A 42 VAL CB . 11424 1 464 . 1 1 49 49 VAL CG1 C 13 21.277 0.2 . 1 . . . A 42 VAL CG1 . 11424 1 465 . 1 1 49 49 VAL CG2 C 13 21.098 0.2 . 1 . . . A 42 VAL CG2 . 11424 1 466 . 1 1 49 49 VAL N N 15 124.753 0.2 . 1 . . . A 42 VAL N . 11424 1 467 . 1 1 50 50 LEU H H 1 7.733 0.02 . 1 . . . A 43 LEU H . 11424 1 468 . 1 1 50 50 LEU HA H 1 4.164 0.02 . 1 . . . A 43 LEU HA . 11424 1 469 . 1 1 50 50 LEU HB2 H 1 1.444 0.02 . 1 . . . A 43 LEU HB2 . 11424 1 470 . 1 1 50 50 LEU HB3 H 1 1.639 0.02 . 1 . . . A 43 LEU HB3 . 11424 1 471 . 1 1 50 50 LEU HG H 1 1.536 0.02 . 1 . . . A 43 LEU HG . 11424 1 472 . 1 1 50 50 LEU HD11 H 1 0.917 0.02 . 1 . . . A 43 LEU HD11 . 11424 1 473 . 1 1 50 50 LEU HD12 H 1 0.917 0.02 . 1 . . . A 43 LEU HD12 . 11424 1 474 . 1 1 50 50 LEU HD13 H 1 0.917 0.02 . 1 . . . A 43 LEU HD13 . 11424 1 475 . 1 1 50 50 LEU HD21 H 1 0.844 0.02 . 1 . . . A 43 LEU HD21 . 11424 1 476 . 1 1 50 50 LEU HD22 H 1 0.844 0.02 . 1 . . . A 43 LEU HD22 . 11424 1 477 . 1 1 50 50 LEU HD23 H 1 0.844 0.02 . 1 . . . A 43 LEU HD23 . 11424 1 478 . 1 1 50 50 LEU C C 13 178.066 0.2 . 1 . . . A 43 LEU C . 11424 1 479 . 1 1 50 50 LEU CA C 13 56.292 0.2 . 1 . . . A 43 LEU CA . 11424 1 480 . 1 1 50 50 LEU CB C 13 41.526 0.2 . 1 . . . A 43 LEU CB . 11424 1 481 . 1 1 50 50 LEU CG C 13 29.289 0.2 . 1 . . . A 43 LEU CG . 11424 1 482 . 1 1 50 50 LEU CD1 C 13 24.282 0.2 . 1 . . . A 43 LEU CD1 . 11424 1 483 . 1 1 50 50 LEU CD2 C 13 24.922 0.2 . 1 . . . A 43 LEU CD2 . 11424 1 484 . 1 1 50 50 LEU N N 15 126.909 0.2 . 1 . . . A 43 LEU N . 11424 1 485 . 1 1 51 51 LYS H H 1 8.966 0.02 . 1 . . . A 44 LYS H . 11424 1 486 . 1 1 51 51 LYS HA H 1 3.990 0.02 . 1 . . . A 44 LYS HA . 11424 1 487 . 1 1 51 51 LYS HB2 H 1 1.769 0.02 . 2 . . . A 44 LYS HB2 . 11424 1 488 . 1 1 51 51 LYS HB3 H 1 1.769 0.02 . 2 . . . A 44 LYS HB3 . 11424 1 489 . 1 1 51 51 LYS HG2 H 1 1.427 0.02 . 2 . . . A 44 LYS HG2 . 11424 1 490 . 1 1 51 51 LYS HG3 H 1 1.427 0.02 . 2 . . . A 44 LYS HG3 . 11424 1 491 . 1 1 51 51 LYS HD2 H 1 1.711 0.02 . 2 . . . A 44 LYS HD2 . 11424 1 492 . 1 1 51 51 LYS HD3 H 1 1.711 0.02 . 2 . . . A 44 LYS HD3 . 11424 1 493 . 1 1 51 51 LYS HE2 H 1 3.019 0.02 . 2 . . . A 44 LYS HE2 . 11424 1 494 . 1 1 51 51 LYS HE3 H 1 3.019 0.02 . 2 . . . A 44 LYS HE3 . 11424 1 495 . 1 1 51 51 LYS C C 13 177.622 0.2 . 1 . . . A 44 LYS C . 11424 1 496 . 1 1 51 51 LYS CA C 13 58.010 0.2 . 1 . . . A 44 LYS CA . 11424 1 497 . 1 1 51 51 LYS CB C 13 31.853 0.2 . 1 . . . A 44 LYS CB . 11424 1 498 . 1 1 51 51 LYS CG C 13 24.952 0.2 . 1 . . . A 44 LYS CG . 11424 1 499 . 1 1 51 51 LYS CD C 13 28.993 0.2 . 1 . . . A 44 LYS CD . 11424 1 500 . 1 1 51 51 LYS CE C 13 42.174 0.2 . 1 . . . A 44 LYS CE . 11424 1 501 . 1 1 51 51 LYS N N 15 128.547 0.2 . 1 . . . A 44 LYS N . 11424 1 502 . 1 1 52 52 GLY H H 1 9.212 0.02 . 1 . . . A 45 GLY H . 11424 1 503 . 1 1 52 52 GLY HA2 H 1 3.580 0.02 . 2 . . . A 45 GLY HA2 . 11424 1 504 . 1 1 52 52 GLY HA3 H 1 4.100 0.02 . 2 . . . A 45 GLY HA3 . 11424 1 505 . 1 1 52 52 GLY C C 13 173.997 0.2 . 1 . . . A 45 GLY C . 11424 1 506 . 1 1 52 52 GLY CA C 13 45.121 0.2 . 1 . . . A 45 GLY CA . 11424 1 507 . 1 1 52 52 GLY N N 15 114.464 0.2 . 1 . . . A 45 GLY N . 11424 1 508 . 1 1 53 53 GLY H H 1 7.494 0.02 . 1 . . . A 46 GLY H . 11424 1 509 . 1 1 53 53 GLY C C 13 173.591 0.2 . 1 . . . A 46 GLY C . 11424 1 510 . 1 1 53 53 GLY CA C 13 44.590 0.2 . 1 . . . A 46 GLY CA . 11424 1 511 . 1 1 53 53 GLY N N 15 105.595 0.2 . 1 . . . A 46 GLY N . 11424 1 512 . 1 1 54 54 PRO HA H 1 4.305 0.02 . 1 . . . A 47 PRO HA . 11424 1 513 . 1 1 54 54 PRO HB2 H 1 2.481 0.02 . 2 . . . A 47 PRO HB2 . 11424 1 514 . 1 1 54 54 PRO HB3 H 1 2.481 0.02 . 2 . . . A 47 PRO HB3 . 11424 1 515 . 1 1 54 54 PRO HG2 H 1 2.169 0.02 . 1 . . . A 47 PRO HG2 . 11424 1 516 . 1 1 54 54 PRO HG3 H 1 1.969 0.02 . 1 . . . A 47 PRO HG3 . 11424 1 517 . 1 1 54 54 PRO HD2 H 1 3.228 0.02 . 1 . . . A 47 PRO HD2 . 11424 1 518 . 1 1 54 54 PRO HD3 H 1 2.919 0.02 . 1 . . . A 47 PRO HD3 . 11424 1 519 . 1 1 54 54 PRO C C 13 176.434 0.2 . 1 . . . A 47 PRO C . 11424 1 520 . 1 1 54 54 PRO CA C 13 64.509 0.2 . 1 . . . A 47 PRO CA . 11424 1 521 . 1 1 54 54 PRO CB C 13 32.992 0.2 . 1 . . . A 47 PRO CB . 11424 1 522 . 1 1 54 54 PRO CG C 13 27.738 0.2 . 1 . . . A 47 PRO CG . 11424 1 523 . 1 1 54 54 PRO CD C 13 50.005 0.2 . 1 . . . A 47 PRO CD . 11424 1 524 . 1 1 55 55 ALA H H 1 7.973 0.02 . 1 . . . A 48 ALA H . 11424 1 525 . 1 1 55 55 ALA HA H 1 4.364 0.02 . 1 . . . A 48 ALA HA . 11424 1 526 . 1 1 55 55 ALA HB1 H 1 1.399 0.02 . 1 . . . A 48 ALA HB1 . 11424 1 527 . 1 1 55 55 ALA HB2 H 1 1.399 0.02 . 1 . . . A 48 ALA HB2 . 11424 1 528 . 1 1 55 55 ALA HB3 H 1 1.399 0.02 . 1 . . . A 48 ALA HB3 . 11424 1 529 . 1 1 55 55 ALA C C 13 176.906 0.2 . 1 . . . A 48 ALA C . 11424 1 530 . 1 1 55 55 ALA CA C 13 51.319 0.2 . 1 . . . A 48 ALA CA . 11424 1 531 . 1 1 55 55 ALA CB C 13 21.172 0.2 . 1 . . . A 48 ALA CB . 11424 1 532 . 1 1 55 55 ALA N N 15 118.075 0.2 . 1 . . . A 48 ALA N . 11424 1 533 . 1 1 56 56 GLU H H 1 7.110 0.02 . 1 . . . A 49 GLU H . 11424 1 534 . 1 1 56 56 GLU HA H 1 3.912 0.02 . 1 . . . A 49 GLU HA . 11424 1 535 . 1 1 56 56 GLU HB2 H 1 1.902 0.02 . 1 . . . A 49 GLU HB2 . 11424 1 536 . 1 1 56 56 GLU HB3 H 1 2.039 0.02 . 1 . . . A 49 GLU HB3 . 11424 1 537 . 1 1 56 56 GLU HG2 H 1 2.177 0.02 . 2 . . . A 49 GLU HG2 . 11424 1 538 . 1 1 56 56 GLU HG3 H 1 2.177 0.02 . 2 . . . A 49 GLU HG3 . 11424 1 539 . 1 1 56 56 GLU C C 13 177.430 0.2 . 1 . . . A 49 GLU C . 11424 1 540 . 1 1 56 56 GLU CA C 13 58.785 0.2 . 1 . . . A 49 GLU CA . 11424 1 541 . 1 1 56 56 GLU CB C 13 29.244 0.2 . 1 . . . A 49 GLU CB . 11424 1 542 . 1 1 56 56 GLU CG C 13 36.315 0.2 . 1 . . . A 49 GLU CG . 11424 1 543 . 1 1 56 56 GLU N N 15 122.635 0.2 . 1 . . . A 49 GLU N . 11424 1 544 . 1 1 57 57 GLY H H 1 9.497 0.02 . 1 . . . A 50 GLY H . 11424 1 545 . 1 1 57 57 GLY HA2 H 1 4.287 0.02 . 1 . . . A 50 GLY HA2 . 11424 1 546 . 1 1 57 57 GLY HA3 H 1 3.673 0.02 . 1 . . . A 50 GLY HA3 . 11424 1 547 . 1 1 57 57 GLY C C 13 173.906 0.2 . 1 . . . A 50 GLY C . 11424 1 548 . 1 1 57 57 GLY CA C 13 45.455 0.2 . 1 . . . A 50 GLY CA . 11424 1 549 . 1 1 57 57 GLY N N 15 117.157 0.2 . 1 . . . A 50 GLY N . 11424 1 550 . 1 1 58 58 GLN H H 1 8.051 0.02 . 1 . . . A 51 GLN H . 11424 1 551 . 1 1 58 58 GLN HA H 1 4.500 0.02 . 1 . . . A 51 GLN HA . 11424 1 552 . 1 1 58 58 GLN HB2 H 1 2.265 0.02 . 1 . . . A 51 GLN HB2 . 11424 1 553 . 1 1 58 58 GLN HB3 H 1 2.048 0.02 . 1 . . . A 51 GLN HB3 . 11424 1 554 . 1 1 58 58 GLN HG2 H 1 1.807 0.02 . 2 . . . A 51 GLN HG2 . 11424 1 555 . 1 1 58 58 GLN HG3 H 1 1.807 0.02 . 2 . . . A 51 GLN HG3 . 11424 1 556 . 1 1 58 58 GLN C C 13 175.395 0.2 . 1 . . . A 51 GLN C . 11424 1 557 . 1 1 58 58 GLN CA C 13 56.775 0.2 . 1 . . . A 51 GLN CA . 11424 1 558 . 1 1 58 58 GLN CB C 13 33.841 0.2 . 1 . . . A 51 GLN CB . 11424 1 559 . 1 1 58 58 GLN CG C 13 33.148 0.2 . 1 . . . A 51 GLN CG . 11424 1 560 . 1 1 58 58 GLN N N 15 116.439 0.2 . 1 . . . A 51 GLN N . 11424 1 561 . 1 1 59 59 LEU H H 1 7.648 0.02 . 1 . . . A 52 LEU H . 11424 1 562 . 1 1 59 59 LEU HA H 1 4.459 0.02 . 1 . . . A 52 LEU HA . 11424 1 563 . 1 1 59 59 LEU HB2 H 1 1.450 0.02 . 2 . . . A 52 LEU HB2 . 11424 1 564 . 1 1 59 59 LEU HB3 H 1 1.450 0.02 . 2 . . . A 52 LEU HB3 . 11424 1 565 . 1 1 59 59 LEU HG H 1 1.409 0.02 . 1 . . . A 52 LEU HG . 11424 1 566 . 1 1 59 59 LEU HD11 H 1 0.808 0.02 . 2 . . . A 52 LEU HD11 . 11424 1 567 . 1 1 59 59 LEU HD12 H 1 0.808 0.02 . 2 . . . A 52 LEU HD12 . 11424 1 568 . 1 1 59 59 LEU HD13 H 1 0.808 0.02 . 2 . . . A 52 LEU HD13 . 11424 1 569 . 1 1 59 59 LEU HD21 H 1 0.900 0.02 . 2 . . . A 52 LEU HD21 . 11424 1 570 . 1 1 59 59 LEU HD22 H 1 0.900 0.02 . 2 . . . A 52 LEU HD22 . 11424 1 571 . 1 1 59 59 LEU HD23 H 1 0.900 0.02 . 2 . . . A 52 LEU HD23 . 11424 1 572 . 1 1 59 59 LEU C C 13 173.610 0.2 . 1 . . . A 52 LEU C . 11424 1 573 . 1 1 59 59 LEU CA C 13 52.549 0.2 . 1 . . . A 52 LEU CA . 11424 1 574 . 1 1 59 59 LEU CB C 13 45.347 0.2 . 1 . . . A 52 LEU CB . 11424 1 575 . 1 1 59 59 LEU CG C 13 27.171 0.2 . 1 . . . A 52 LEU CG . 11424 1 576 . 1 1 59 59 LEU CD1 C 13 26.828 0.2 . 1 . . . A 52 LEU CD1 . 11424 1 577 . 1 1 59 59 LEU CD2 C 13 25.132 0.2 . 1 . . . A 52 LEU CD2 . 11424 1 578 . 1 1 59 59 LEU N N 15 116.402 0.2 . 1 . . . A 52 LEU N . 11424 1 579 . 1 1 60 60 GLN H H 1 8.774 0.02 . 1 . . . A 53 GLN H . 11424 1 580 . 1 1 60 60 GLN HA H 1 4.534 0.02 . 1 . . . A 53 GLN HA . 11424 1 581 . 1 1 60 60 GLN HB2 H 1 1.777 0.02 . 2 . . . A 53 GLN HB2 . 11424 1 582 . 1 1 60 60 GLN HB3 H 1 1.777 0.02 . 2 . . . A 53 GLN HB3 . 11424 1 583 . 1 1 60 60 GLN HG2 H 1 2.048 0.02 . 1 . . . A 53 GLN HG2 . 11424 1 584 . 1 1 60 60 GLN HG3 H 1 2.265 0.02 . 1 . . . A 53 GLN HG3 . 11424 1 585 . 1 1 60 60 GLN C C 13 174.571 0.2 . 1 . . . A 53 GLN C . 11424 1 586 . 1 1 60 60 GLN CA C 13 54.409 0.2 . 1 . . . A 53 GLN CA . 11424 1 587 . 1 1 60 60 GLN CB C 13 32.497 0.2 . 1 . . . A 53 GLN CB . 11424 1 588 . 1 1 60 60 GLN CG C 13 33.841 0.2 . 1 . . . A 53 GLN CG . 11424 1 589 . 1 1 60 60 GLN N N 15 118.215 0.2 . 1 . . . A 53 GLN N . 11424 1 590 . 1 1 61 61 GLU H H 1 8.846 0.02 . 1 . . . A 54 GLU H . 11424 1 591 . 1 1 61 61 GLU HA H 1 3.667 0.02 . 1 . . . A 54 GLU HA . 11424 1 592 . 1 1 61 61 GLU HB2 H 1 1.835 0.02 . 2 . . . A 54 GLU HB2 . 11424 1 593 . 1 1 61 61 GLU HB3 H 1 1.835 0.02 . 2 . . . A 54 GLU HB3 . 11424 1 594 . 1 1 61 61 GLU HG2 H 1 2.177 0.02 . 2 . . . A 54 GLU HG2 . 11424 1 595 . 1 1 61 61 GLU HG3 H 1 2.177 0.02 . 2 . . . A 54 GLU HG3 . 11424 1 596 . 1 1 61 61 GLU C C 13 178.241 0.2 . 1 . . . A 54 GLU C . 11424 1 597 . 1 1 61 61 GLU CA C 13 58.367 0.2 . 1 . . . A 54 GLU CA . 11424 1 598 . 1 1 61 61 GLU CB C 13 29.210 0.2 . 1 . . . A 54 GLU CB . 11424 1 599 . 1 1 61 61 GLU CG C 13 36.315 0.2 . 1 . . . A 54 GLU CG . 11424 1 600 . 1 1 61 61 GLU N N 15 120.881 0.2 . 1 . . . A 54 GLU N . 11424 1 601 . 1 1 62 62 ASN H H 1 9.377 0.02 . 1 . . . A 55 ASN H . 11424 1 602 . 1 1 62 62 ASN HA H 1 4.211 0.02 . 1 . . . A 55 ASN HA . 11424 1 603 . 1 1 62 62 ASN HB2 H 1 3.462 0.02 . 1 . . . A 55 ASN HB2 . 11424 1 604 . 1 1 62 62 ASN HB3 H 1 3.000 0.02 . 1 . . . A 55 ASN HB3 . 11424 1 605 . 1 1 62 62 ASN C C 13 175.774 0.2 . 1 . . . A 55 ASN C . 11424 1 606 . 1 1 62 62 ASN CA C 13 56.176 0.2 . 1 . . . A 55 ASN CA . 11424 1 607 . 1 1 62 62 ASN CB C 13 37.160 0.2 . 1 . . . A 55 ASN CB . 11424 1 608 . 1 1 62 62 ASN N N 15 116.271 0.2 . 1 . . . A 55 ASN N . 11424 1 609 . 1 1 63 63 ASP H H 1 8.193 0.02 . 1 . . . A 56 ASP H . 11424 1 610 . 1 1 63 63 ASP HA H 1 4.809 0.02 . 1 . . . A 56 ASP HA . 11424 1 611 . 1 1 63 63 ASP HB2 H 1 2.300 0.02 . 1 . . . A 56 ASP HB2 . 11424 1 612 . 1 1 63 63 ASP HB3 H 1 2.796 0.02 . 1 . . . A 56 ASP HB3 . 11424 1 613 . 1 1 63 63 ASP C C 13 176.099 0.2 . 1 . . . A 56 ASP C . 11424 1 614 . 1 1 63 63 ASP CA C 13 56.572 0.2 . 1 . . . A 56 ASP CA . 11424 1 615 . 1 1 63 63 ASP CB C 13 41.146 0.2 . 1 . . . A 56 ASP CB . 11424 1 616 . 1 1 63 63 ASP N N 15 123.852 0.2 . 1 . . . A 56 ASP N . 11424 1 617 . 1 1 64 64 ARG H H 1 9.007 0.02 . 1 . . . A 57 ARG H . 11424 1 618 . 1 1 64 64 ARG HA H 1 4.842 0.02 . 1 . . . A 57 ARG HA . 11424 1 619 . 1 1 64 64 ARG HB2 H 1 1.769 0.02 . 2 . . . A 57 ARG HB2 . 11424 1 620 . 1 1 64 64 ARG HB3 H 1 1.769 0.02 . 2 . . . A 57 ARG HB3 . 11424 1 621 . 1 1 64 64 ARG HG2 H 1 1.836 0.02 . 2 . . . A 57 ARG HG2 . 11424 1 622 . 1 1 64 64 ARG HG3 H 1 1.836 0.02 . 2 . . . A 57 ARG HG3 . 11424 1 623 . 1 1 64 64 ARG HD2 H 1 3.140 0.02 . 2 . . . A 57 ARG HD2 . 11424 1 624 . 1 1 64 64 ARG HD3 H 1 3.140 0.02 . 2 . . . A 57 ARG HD3 . 11424 1 625 . 1 1 64 64 ARG C C 13 176.294 0.2 . 1 . . . A 57 ARG C . 11424 1 626 . 1 1 64 64 ARG CA C 13 55.443 0.2 . 1 . . . A 57 ARG CA . 11424 1 627 . 1 1 64 64 ARG CB C 13 31.853 0.2 . 1 . . . A 57 ARG CB . 11424 1 628 . 1 1 64 64 ARG CG C 13 29.223 0.2 . 1 . . . A 57 ARG CG . 11424 1 629 . 1 1 64 64 ARG CD C 13 43.610 0.2 . 1 . . . A 57 ARG CD . 11424 1 630 . 1 1 64 64 ARG N N 15 122.989 0.2 . 1 . . . A 57 ARG N . 11424 1 631 . 1 1 65 65 VAL H H 1 9.013 0.02 . 1 . . . A 58 VAL H . 11424 1 632 . 1 1 65 65 VAL HA H 1 3.839 0.02 . 1 . . . A 58 VAL HA . 11424 1 633 . 1 1 65 65 VAL HB H 1 1.769 0.02 . 1 . . . A 58 VAL HB . 11424 1 634 . 1 1 65 65 VAL HG11 H 1 0.644 0.02 . 1 . . . A 58 VAL HG11 . 11424 1 635 . 1 1 65 65 VAL HG12 H 1 0.644 0.02 . 1 . . . A 58 VAL HG12 . 11424 1 636 . 1 1 65 65 VAL HG13 H 1 0.644 0.02 . 1 . . . A 58 VAL HG13 . 11424 1 637 . 1 1 65 65 VAL HG21 H 1 0.578 0.02 . 1 . . . A 58 VAL HG21 . 11424 1 638 . 1 1 65 65 VAL HG22 H 1 0.578 0.02 . 1 . . . A 58 VAL HG22 . 11424 1 639 . 1 1 65 65 VAL HG23 H 1 0.578 0.02 . 1 . . . A 58 VAL HG23 . 11424 1 640 . 1 1 65 65 VAL C C 13 173.692 0.2 . 1 . . . A 58 VAL C . 11424 1 641 . 1 1 65 65 VAL CA C 13 62.901 0.2 . 1 . . . A 58 VAL CA . 11424 1 642 . 1 1 65 65 VAL CB C 13 31.853 0.2 . 1 . . . A 58 VAL CB . 11424 1 643 . 1 1 65 65 VAL CG1 C 13 21.422 0.2 . 1 . . . A 58 VAL CG1 . 11424 1 644 . 1 1 65 65 VAL CG2 C 13 22.249 0.2 . 1 . . . A 58 VAL CG2 . 11424 1 645 . 1 1 65 65 VAL N N 15 123.053 0.2 . 1 . . . A 58 VAL N . 11424 1 646 . 1 1 66 66 ALA H H 1 9.120 0.02 . 1 . . . A 59 ALA H . 11424 1 647 . 1 1 66 66 ALA HA H 1 4.376 0.02 . 1 . . . A 59 ALA HA . 11424 1 648 . 1 1 66 66 ALA HB1 H 1 1.122 0.02 . 1 . . . A 59 ALA HB1 . 11424 1 649 . 1 1 66 66 ALA HB2 H 1 1.122 0.02 . 1 . . . A 59 ALA HB2 . 11424 1 650 . 1 1 66 66 ALA HB3 H 1 1.122 0.02 . 1 . . . A 59 ALA HB3 . 11424 1 651 . 1 1 66 66 ALA C C 13 179.274 0.2 . 1 . . . A 59 ALA C . 11424 1 652 . 1 1 66 66 ALA CA C 13 53.344 0.2 . 1 . . . A 59 ALA CA . 11424 1 653 . 1 1 66 66 ALA CB C 13 20.274 0.2 . 1 . . . A 59 ALA CB . 11424 1 654 . 1 1 66 66 ALA N N 15 131.013 0.2 . 1 . . . A 59 ALA N . 11424 1 655 . 1 1 67 67 MET H H 1 7.819 0.02 . 1 . . . A 60 MET H . 11424 1 656 . 1 1 67 67 MET HA H 1 5.132 0.02 . 1 . . . A 60 MET HA . 11424 1 657 . 1 1 67 67 MET HB2 H 1 1.653 0.02 . 1 . . . A 60 MET HB2 . 11424 1 658 . 1 1 67 67 MET HB3 H 1 1.881 0.02 . 1 . . . A 60 MET HB3 . 11424 1 659 . 1 1 67 67 MET HG2 H 1 2.252 0.02 . 1 . . . A 60 MET HG2 . 11424 1 660 . 1 1 67 67 MET HG3 H 1 2.149 0.02 . 1 . . . A 60 MET HG3 . 11424 1 661 . 1 1 67 67 MET C C 13 174.413 0.2 . 1 . . . A 60 MET C . 11424 1 662 . 1 1 67 67 MET CA C 13 55.316 0.2 . 1 . . . A 60 MET CA . 11424 1 663 . 1 1 67 67 MET CB C 13 38.855 0.2 . 1 . . . A 60 MET CB . 11424 1 664 . 1 1 67 67 MET CG C 13 32.055 0.2 . 1 . . . A 60 MET CG . 11424 1 665 . 1 1 67 67 MET N N 15 116.136 0.2 . 1 . . . A 60 MET N . 11424 1 666 . 1 1 68 68 VAL H H 1 8.270 0.02 . 1 . . . A 61 VAL H . 11424 1 667 . 1 1 68 68 VAL HA H 1 4.386 0.02 . 1 . . . A 61 VAL HA . 11424 1 668 . 1 1 68 68 VAL HB H 1 1.660 0.02 . 1 . . . A 61 VAL HB . 11424 1 669 . 1 1 68 68 VAL HG11 H 1 0.687 0.02 . 2 . . . A 61 VAL HG11 . 11424 1 670 . 1 1 68 68 VAL HG12 H 1 0.687 0.02 . 2 . . . A 61 VAL HG12 . 11424 1 671 . 1 1 68 68 VAL HG13 H 1 0.687 0.02 . 2 . . . A 61 VAL HG13 . 11424 1 672 . 1 1 68 68 VAL HG21 H 1 0.533 0.02 . 2 . . . A 61 VAL HG21 . 11424 1 673 . 1 1 68 68 VAL HG22 H 1 0.533 0.02 . 2 . . . A 61 VAL HG22 . 11424 1 674 . 1 1 68 68 VAL HG23 H 1 0.533 0.02 . 2 . . . A 61 VAL HG23 . 11424 1 675 . 1 1 68 68 VAL C C 13 175.435 0.2 . 1 . . . A 61 VAL C . 11424 1 676 . 1 1 68 68 VAL CA C 13 61.656 0.2 . 1 . . . A 61 VAL CA . 11424 1 677 . 1 1 68 68 VAL CB C 13 34.591 0.2 . 1 . . . A 61 VAL CB . 11424 1 678 . 1 1 68 68 VAL CG1 C 13 21.363 0.2 . 1 . . . A 61 VAL CG1 . 11424 1 679 . 1 1 68 68 VAL CG2 C 13 20.649 0.2 . 1 . . . A 61 VAL CG2 . 11424 1 680 . 1 1 68 68 VAL N N 15 120.584 0.2 . 1 . . . A 61 VAL N . 11424 1 681 . 1 1 69 69 ASN H H 1 9.771 0.02 . 1 . . . A 62 ASN H . 11424 1 682 . 1 1 69 69 ASN HA H 1 4.384 0.02 . 1 . . . A 62 ASN HA . 11424 1 683 . 1 1 69 69 ASN HB2 H 1 3.000 0.02 . 1 . . . A 62 ASN HB2 . 11424 1 684 . 1 1 69 69 ASN HB3 H 1 2.843 0.02 . 1 . . . A 62 ASN HB3 . 11424 1 685 . 1 1 69 69 ASN C C 13 174.913 0.2 . 1 . . . A 62 ASN C . 11424 1 686 . 1 1 69 69 ASN CA C 13 54.497 0.2 . 1 . . . A 62 ASN CA . 11424 1 687 . 1 1 69 69 ASN CB C 13 37.235 0.2 . 1 . . . A 62 ASN CB . 11424 1 688 . 1 1 69 69 ASN N N 15 126.533 0.2 . 1 . . . A 62 ASN N . 11424 1 689 . 1 1 70 70 GLY H H 1 8.437 0.02 . 1 . . . A 63 GLY H . 11424 1 690 . 1 1 70 70 GLY HA2 H 1 4.045 0.02 . 1 . . . A 63 GLY HA2 . 11424 1 691 . 1 1 70 70 GLY HA3 H 1 3.737 0.02 . 1 . . . A 63 GLY HA3 . 11424 1 692 . 1 1 70 70 GLY C C 13 173.440 0.2 . 1 . . . A 63 GLY C . 11424 1 693 . 1 1 70 70 GLY CA C 13 45.864 0.2 . 1 . . . A 63 GLY CA . 11424 1 694 . 1 1 70 70 GLY N N 15 102.139 0.2 . 1 . . . A 63 GLY N . 11424 1 695 . 1 1 71 71 VAL H H 1 7.886 0.02 . 1 . . . A 64 VAL H . 11424 1 696 . 1 1 71 71 VAL HA H 1 4.108 0.02 . 1 . . . A 64 VAL HA . 11424 1 697 . 1 1 71 71 VAL HB H 1 2.039 0.02 . 1 . . . A 64 VAL HB . 11424 1 698 . 1 1 71 71 VAL HG11 H 1 1.070 0.02 . 2 . . . A 64 VAL HG11 . 11424 1 699 . 1 1 71 71 VAL HG12 H 1 1.070 0.02 . 2 . . . A 64 VAL HG12 . 11424 1 700 . 1 1 71 71 VAL HG13 H 1 1.070 0.02 . 2 . . . A 64 VAL HG13 . 11424 1 701 . 1 1 71 71 VAL HG21 H 1 0.890 0.02 . 2 . . . A 64 VAL HG21 . 11424 1 702 . 1 1 71 71 VAL HG22 H 1 0.890 0.02 . 2 . . . A 64 VAL HG22 . 11424 1 703 . 1 1 71 71 VAL HG23 H 1 0.890 0.02 . 2 . . . A 64 VAL HG23 . 11424 1 704 . 1 1 71 71 VAL C C 13 175.712 0.2 . 1 . . . A 64 VAL C . 11424 1 705 . 1 1 71 71 VAL CA C 13 61.317 0.2 . 1 . . . A 64 VAL CA . 11424 1 706 . 1 1 71 71 VAL CB C 13 32.930 0.2 . 1 . . . A 64 VAL CB . 11424 1 707 . 1 1 71 71 VAL CG1 C 13 21.303 0.2 . 1 . . . A 64 VAL CG1 . 11424 1 708 . 1 1 71 71 VAL CG2 C 13 21.303 0.2 . 1 . . . A 64 VAL CG2 . 11424 1 709 . 1 1 71 71 VAL N N 15 122.719 0.2 . 1 . . . A 64 VAL N . 11424 1 710 . 1 1 72 72 SER H H 1 8.871 0.02 . 1 . . . A 65 SER H . 11424 1 711 . 1 1 72 72 SER HA H 1 4.408 0.02 . 1 . . . A 65 SER HA . 11424 1 712 . 1 1 72 72 SER HB2 H 1 4.009 0.02 . 2 . . . A 65 SER HB2 . 11424 1 713 . 1 1 72 72 SER HB3 H 1 3.851 0.02 . 2 . . . A 65 SER HB3 . 11424 1 714 . 1 1 72 72 SER C C 13 175.499 0.2 . 1 . . . A 65 SER C . 11424 1 715 . 1 1 72 72 SER CA C 13 59.332 0.2 . 1 . . . A 65 SER CA . 11424 1 716 . 1 1 72 72 SER CB C 13 63.873 0.2 . 1 . . . A 65 SER CB . 11424 1 717 . 1 1 72 72 SER N N 15 121.710 0.2 . 1 . . . A 65 SER N . 11424 1 718 . 1 1 73 73 MET H H 1 7.702 0.02 . 1 . . . A 66 MET H . 11424 1 719 . 1 1 73 73 MET HA H 1 5.056 0.02 . 1 . . . A 66 MET HA . 11424 1 720 . 1 1 73 73 MET HB2 H 1 2.177 0.02 . 1 . . . A 66 MET HB2 . 11424 1 721 . 1 1 73 73 MET HB3 H 1 1.807 0.02 . 1 . . . A 66 MET HB3 . 11424 1 722 . 1 1 73 73 MET HG2 H 1 2.591 0.02 . 2 . . . A 66 MET HG2 . 11424 1 723 . 1 1 73 73 MET HG3 H 1 2.591 0.02 . 2 . . . A 66 MET HG3 . 11424 1 724 . 1 1 73 73 MET C C 13 176.243 0.2 . 1 . . . A 66 MET C . 11424 1 725 . 1 1 73 73 MET CA C 13 52.701 0.2 . 1 . . . A 66 MET CA . 11424 1 726 . 1 1 73 73 MET CB C 13 33.043 0.2 . 1 . . . A 66 MET CB . 11424 1 727 . 1 1 73 73 MET CG C 13 32.908 0.2 . 1 . . . A 66 MET CG . 11424 1 728 . 1 1 73 73 MET N N 15 122.698 0.2 . 1 . . . A 66 MET N . 11424 1 729 . 1 1 74 74 ASP H H 1 7.979 0.02 . 1 . . . A 67 ASP H . 11424 1 730 . 1 1 74 74 ASP HA H 1 4.459 0.02 . 1 . . . A 67 ASP HA . 11424 1 731 . 1 1 74 74 ASP HB2 H 1 2.518 0.02 . 2 . . . A 67 ASP HB2 . 11424 1 732 . 1 1 74 74 ASP HB3 H 1 2.462 0.02 . 2 . . . A 67 ASP HB3 . 11424 1 733 . 1 1 74 74 ASP C C 13 174.957 0.2 . 1 . . . A 67 ASP C . 11424 1 734 . 1 1 74 74 ASP CA C 13 55.343 0.2 . 1 . . . A 67 ASP CA . 11424 1 735 . 1 1 74 74 ASP CB C 13 41.060 0.2 . 1 . . . A 67 ASP CB . 11424 1 736 . 1 1 74 74 ASP N N 15 123.435 0.2 . 1 . . . A 67 ASP N . 11424 1 737 . 1 1 75 75 ASN H H 1 9.249 0.02 . 1 . . . A 68 ASN H . 11424 1 738 . 1 1 75 75 ASN HA H 1 4.176 0.02 . 1 . . . A 68 ASN HA . 11424 1 739 . 1 1 75 75 ASN HB2 H 1 3.056 0.02 . 2 . . . A 68 ASN HB2 . 11424 1 740 . 1 1 75 75 ASN HB3 H 1 2.379 0.02 . 2 . . . A 68 ASN HB3 . 11424 1 741 . 1 1 75 75 ASN C C 13 174.464 0.2 . 1 . . . A 68 ASN C . 11424 1 742 . 1 1 75 75 ASN CA C 13 54.012 0.2 . 1 . . . A 68 ASN CA . 11424 1 743 . 1 1 75 75 ASN CB C 13 37.955 0.2 . 1 . . . A 68 ASN CB . 11424 1 744 . 1 1 75 75 ASN N N 15 125.759 0.2 . 1 . . . A 68 ASN N . 11424 1 745 . 1 1 76 76 VAL H H 1 8.491 0.02 . 1 . . . A 69 VAL H . 11424 1 746 . 1 1 76 76 VAL HA H 1 4.571 0.02 . 1 . . . A 69 VAL HA . 11424 1 747 . 1 1 76 76 VAL HB H 1 2.222 0.02 . 1 . . . A 69 VAL HB . 11424 1 748 . 1 1 76 76 VAL HG11 H 1 0.748 0.02 . 1 . . . A 69 VAL HG11 . 11424 1 749 . 1 1 76 76 VAL HG12 H 1 0.748 0.02 . 1 . . . A 69 VAL HG12 . 11424 1 750 . 1 1 76 76 VAL HG13 H 1 0.748 0.02 . 1 . . . A 69 VAL HG13 . 11424 1 751 . 1 1 76 76 VAL HG21 H 1 0.989 0.02 . 1 . . . A 69 VAL HG21 . 11424 1 752 . 1 1 76 76 VAL HG22 H 1 0.989 0.02 . 1 . . . A 69 VAL HG22 . 11424 1 753 . 1 1 76 76 VAL HG23 H 1 0.989 0.02 . 1 . . . A 69 VAL HG23 . 11424 1 754 . 1 1 76 76 VAL C C 13 176.526 0.2 . 1 . . . A 69 VAL C . 11424 1 755 . 1 1 76 76 VAL CA C 13 59.363 0.2 . 1 . . . A 69 VAL CA . 11424 1 756 . 1 1 76 76 VAL CB C 13 35.031 0.2 . 1 . . . A 69 VAL CB . 11424 1 757 . 1 1 76 76 VAL CG1 C 13 19.792 0.2 . 1 . . . A 69 VAL CG1 . 11424 1 758 . 1 1 76 76 VAL CG2 C 13 17.831 0.2 . 1 . . . A 69 VAL CG2 . 11424 1 759 . 1 1 76 76 VAL N N 15 111.818 0.2 . 1 . . . A 69 VAL N . 11424 1 760 . 1 1 77 77 GLU H H 1 8.705 0.02 . 1 . . . A 70 GLU H . 11424 1 761 . 1 1 77 77 GLU HA H 1 4.386 0.02 . 1 . . . A 70 GLU HA . 11424 1 762 . 1 1 77 77 GLU HB2 H 1 2.267 0.02 . 2 . . . A 70 GLU HB2 . 11424 1 763 . 1 1 77 77 GLU HB3 H 1 2.267 0.02 . 2 . . . A 70 GLU HB3 . 11424 1 764 . 1 1 77 77 GLU HG2 H 1 2.161 0.02 . 2 . . . A 70 GLU HG2 . 11424 1 765 . 1 1 77 77 GLU HG3 H 1 2.161 0.02 . 2 . . . A 70 GLU HG3 . 11424 1 766 . 1 1 77 77 GLU C C 13 177.841 0.2 . 1 . . . A 70 GLU C . 11424 1 767 . 1 1 77 77 GLU CA C 13 56.485 0.2 . 1 . . . A 70 GLU CA . 11424 1 768 . 1 1 77 77 GLU CB C 13 30.632 0.2 . 1 . . . A 70 GLU CB . 11424 1 769 . 1 1 77 77 GLU CG C 13 37.847 0.2 . 1 . . . A 70 GLU CG . 11424 1 770 . 1 1 77 77 GLU N N 15 120.009 0.2 . 1 . . . A 70 GLU N . 11424 1 771 . 1 1 78 78 HIS H H 1 10.591 0.02 . 1 . . . A 71 HIS H . 11424 1 772 . 1 1 78 78 HIS HA H 1 3.920 0.02 . 1 . . . A 71 HIS HA . 11424 1 773 . 1 1 78 78 HIS HB2 H 1 3.186 0.02 . 2 . . . A 71 HIS HB2 . 11424 1 774 . 1 1 78 78 HIS HB3 H 1 3.186 0.02 . 2 . . . A 71 HIS HB3 . 11424 1 775 . 1 1 78 78 HIS HD2 H 1 6.578 0.02 . 1 . . . A 71 HIS HD2 . 11424 1 776 . 1 1 78 78 HIS C C 13 177.469 0.2 . 1 . . . A 71 HIS C . 11424 1 777 . 1 1 78 78 HIS CA C 13 62.249 0.2 . 1 . . . A 71 HIS CA . 11424 1 778 . 1 1 78 78 HIS CB C 13 29.638 0.2 . 1 . . . A 71 HIS CB . 11424 1 779 . 1 1 78 78 HIS CD2 C 13 117.893 0.2 . 1 . . . A 71 HIS CD2 . 11424 1 780 . 1 1 78 78 HIS N N 15 126.122 0.2 . 1 . . . A 71 HIS N . 11424 1 781 . 1 1 79 79 ALA H H 1 9.673 0.02 . 1 . . . A 72 ALA H . 11424 1 782 . 1 1 79 79 ALA HA H 1 3.974 0.02 . 1 . . . A 72 ALA HA . 11424 1 783 . 1 1 79 79 ALA HB1 H 1 1.464 0.02 . 1 . . . A 72 ALA HB1 . 11424 1 784 . 1 1 79 79 ALA HB2 H 1 1.464 0.02 . 1 . . . A 72 ALA HB2 . 11424 1 785 . 1 1 79 79 ALA HB3 H 1 1.464 0.02 . 1 . . . A 72 ALA HB3 . 11424 1 786 . 1 1 79 79 ALA C C 13 180.015 0.2 . 1 . . . A 72 ALA C . 11424 1 787 . 1 1 79 79 ALA CA C 13 54.907 0.2 . 1 . . . A 72 ALA CA . 11424 1 788 . 1 1 79 79 ALA CB C 13 18.527 0.2 . 1 . . . A 72 ALA CB . 11424 1 789 . 1 1 79 79 ALA N N 15 117.058 0.2 . 1 . . . A 72 ALA N . 11424 1 790 . 1 1 80 80 PHE H H 1 7.366 0.02 . 1 . . . A 73 PHE H . 11424 1 791 . 1 1 80 80 PHE HA H 1 4.218 0.02 . 1 . . . A 73 PHE HA . 11424 1 792 . 1 1 80 80 PHE HB2 H 1 3.325 0.02 . 2 . . . A 73 PHE HB2 . 11424 1 793 . 1 1 80 80 PHE HB3 H 1 3.325 0.02 . 2 . . . A 73 PHE HB3 . 11424 1 794 . 1 1 80 80 PHE HD1 H 1 7.285 0.02 . 3 . . . A 73 PHE HD1 . 11424 1 795 . 1 1 80 80 PHE HD2 H 1 7.285 0.02 . 3 . . . A 73 PHE HD2 . 11424 1 796 . 1 1 80 80 PHE HE1 H 1 7.285 0.02 . 3 . . . A 73 PHE HE1 . 11424 1 797 . 1 1 80 80 PHE HE2 H 1 7.285 0.02 . 3 . . . A 73 PHE HE2 . 11424 1 798 . 1 1 80 80 PHE C C 13 177.619 0.2 . 1 . . . A 73 PHE C . 11424 1 799 . 1 1 80 80 PHE CA C 13 61.207 0.2 . 1 . . . A 73 PHE CA . 11424 1 800 . 1 1 80 80 PHE CB C 13 39.634 0.2 . 1 . . . A 73 PHE CB . 11424 1 801 . 1 1 80 80 PHE N N 15 118.673 0.2 . 1 . . . A 73 PHE N . 11424 1 802 . 1 1 81 81 ALA H H 1 7.319 0.02 . 1 . . . A 74 ALA H . 11424 1 803 . 1 1 81 81 ALA HA H 1 3.734 0.02 . 1 . . . A 74 ALA HA . 11424 1 804 . 1 1 81 81 ALA HB1 H 1 1.339 0.02 . 1 . . . A 74 ALA HB1 . 11424 1 805 . 1 1 81 81 ALA HB2 H 1 1.339 0.02 . 1 . . . A 74 ALA HB2 . 11424 1 806 . 1 1 81 81 ALA HB3 H 1 1.339 0.02 . 1 . . . A 74 ALA HB3 . 11424 1 807 . 1 1 81 81 ALA C C 13 178.844 0.2 . 1 . . . A 74 ALA C . 11424 1 808 . 1 1 81 81 ALA CA C 13 55.575 0.2 . 1 . . . A 74 ALA CA . 11424 1 809 . 1 1 81 81 ALA CB C 13 19.597 0.2 . 1 . . . A 74 ALA CB . 11424 1 810 . 1 1 81 81 ALA N N 15 122.314 0.2 . 1 . . . A 74 ALA N . 11424 1 811 . 1 1 82 82 VAL H H 1 7.752 0.02 . 1 . . . A 75 VAL H . 11424 1 812 . 1 1 82 82 VAL HA H 1 3.287 0.02 . 1 . . . A 75 VAL HA . 11424 1 813 . 1 1 82 82 VAL HB H 1 1.948 0.02 . 1 . . . A 75 VAL HB . 11424 1 814 . 1 1 82 82 VAL HG11 H 1 0.871 0.02 . 2 . . . A 75 VAL HG11 . 11424 1 815 . 1 1 82 82 VAL HG12 H 1 0.871 0.02 . 2 . . . A 75 VAL HG12 . 11424 1 816 . 1 1 82 82 VAL HG13 H 1 0.871 0.02 . 2 . . . A 75 VAL HG13 . 11424 1 817 . 1 1 82 82 VAL HG21 H 1 0.732 0.02 . 2 . . . A 75 VAL HG21 . 11424 1 818 . 1 1 82 82 VAL HG22 H 1 0.732 0.02 . 2 . . . A 75 VAL HG22 . 11424 1 819 . 1 1 82 82 VAL HG23 H 1 0.732 0.02 . 2 . . . A 75 VAL HG23 . 11424 1 820 . 1 1 82 82 VAL C C 13 179.036 0.2 . 1 . . . A 75 VAL C . 11424 1 821 . 1 1 82 82 VAL CA C 13 66.872 0.2 . 1 . . . A 75 VAL CA . 11424 1 822 . 1 1 82 82 VAL CB C 13 32.416 0.2 . 1 . . . A 75 VAL CB . 11424 1 823 . 1 1 82 82 VAL CG1 C 13 21.205 0.2 . 1 . . . A 75 VAL CG1 . 11424 1 824 . 1 1 82 82 VAL CG2 C 13 22.855 0.2 . 1 . . . A 75 VAL CG2 . 11424 1 825 . 1 1 82 82 VAL N N 15 116.094 0.2 . 1 . . . A 75 VAL N . 11424 1 826 . 1 1 83 83 GLN H H 1 7.774 0.02 . 1 . . . A 76 GLN H . 11424 1 827 . 1 1 83 83 GLN HA H 1 3.619 0.02 . 1 . . . A 76 GLN HA . 11424 1 828 . 1 1 83 83 GLN HB2 H 1 1.571 0.02 . 1 . . . A 76 GLN HB2 . 11424 1 829 . 1 1 83 83 GLN HB3 H 1 1.608 0.02 . 1 . . . A 76 GLN HB3 . 11424 1 830 . 1 1 83 83 GLN HG2 H 1 1.951 0.02 . 2 . . . A 76 GLN HG2 . 11424 1 831 . 1 1 83 83 GLN HG3 H 1 1.951 0.02 . 2 . . . A 76 GLN HG3 . 11424 1 832 . 1 1 83 83 GLN C C 13 178.975 0.2 . 1 . . . A 76 GLN C . 11424 1 833 . 1 1 83 83 GLN CA C 13 57.758 0.2 . 1 . . . A 76 GLN CA . 11424 1 834 . 1 1 83 83 GLN CB C 13 33.390 0.2 . 1 . . . A 76 GLN CB . 11424 1 835 . 1 1 83 83 GLN CG C 13 33.044 0.2 . 1 . . . A 76 GLN CG . 11424 1 836 . 1 1 83 83 GLN N N 15 117.173 0.2 . 1 . . . A 76 GLN N . 11424 1 837 . 1 1 85 85 LEU H H 1 7.525 0.02 . 1 . . . A 78 LEU H . 11424 1 838 . 1 1 85 85 LEU HA H 1 3.848 0.02 . 1 . . . A 78 LEU HA . 11424 1 839 . 1 1 85 85 LEU HB2 H 1 1.639 0.02 . 2 . . . A 78 LEU HB2 . 11424 1 840 . 1 1 85 85 LEU HB3 H 1 1.639 0.02 . 2 . . . A 78 LEU HB3 . 11424 1 841 . 1 1 85 85 LEU HG H 1 1.546 0.02 . 1 . . . A 78 LEU HG . 11424 1 842 . 1 1 85 85 LEU HD11 H 1 0.613 0.02 . 1 . . . A 78 LEU HD11 . 11424 1 843 . 1 1 85 85 LEU HD12 H 1 0.613 0.02 . 1 . . . A 78 LEU HD12 . 11424 1 844 . 1 1 85 85 LEU HD13 H 1 0.613 0.02 . 1 . . . A 78 LEU HD13 . 11424 1 845 . 1 1 85 85 LEU HD21 H 1 0.509 0.02 . 1 . . . A 78 LEU HD21 . 11424 1 846 . 1 1 85 85 LEU HD22 H 1 0.509 0.02 . 1 . . . A 78 LEU HD22 . 11424 1 847 . 1 1 85 85 LEU HD23 H 1 0.509 0.02 . 1 . . . A 78 LEU HD23 . 11424 1 848 . 1 1 85 85 LEU C C 13 179.031 0.2 . 1 . . . A 78 LEU C . 11424 1 849 . 1 1 85 85 LEU CA C 13 58.155 0.2 . 1 . . . A 78 LEU CA . 11424 1 850 . 1 1 85 85 LEU CB C 13 41.567 0.2 . 1 . . . A 78 LEU CB . 11424 1 851 . 1 1 85 85 LEU CG C 13 27.140 0.2 . 1 . . . A 78 LEU CG . 11424 1 852 . 1 1 85 85 LEU CD1 C 13 24.917 0.2 . 1 . . . A 78 LEU CD1 . 11424 1 853 . 1 1 85 85 LEU CD2 C 13 23.609 0.2 . 1 . . . A 78 LEU CD2 . 11424 1 854 . 1 1 85 85 LEU N N 15 118.735 0.2 . 1 . . . A 78 LEU N . 11424 1 855 . 1 1 86 86 ARG H H 1 8.133 0.02 . 1 . . . A 79 ARG H . 11424 1 856 . 1 1 86 86 ARG HA H 1 4.082 0.02 . 1 . . . A 79 ARG HA . 11424 1 857 . 1 1 86 86 ARG HB2 H 1 1.877 0.02 . 2 . . . A 79 ARG HB2 . 11424 1 858 . 1 1 86 86 ARG HB3 H 1 1.877 0.02 . 2 . . . A 79 ARG HB3 . 11424 1 859 . 1 1 86 86 ARG HG2 H 1 1.613 0.02 . 2 . . . A 79 ARG HG2 . 11424 1 860 . 1 1 86 86 ARG HG3 H 1 1.613 0.02 . 2 . . . A 79 ARG HG3 . 11424 1 861 . 1 1 86 86 ARG HD2 H 1 3.140 0.02 . 2 . . . A 79 ARG HD2 . 11424 1 862 . 1 1 86 86 ARG HD3 H 1 3.140 0.02 . 2 . . . A 79 ARG HD3 . 11424 1 863 . 1 1 86 86 ARG C C 13 178.174 0.2 . 1 . . . A 79 ARG C . 11424 1 864 . 1 1 86 86 ARG CA C 13 59.391 0.2 . 1 . . . A 79 ARG CA . 11424 1 865 . 1 1 86 86 ARG CB C 13 30.363 0.2 . 1 . . . A 79 ARG CB . 11424 1 866 . 1 1 86 86 ARG CG C 13 27.138 0.2 . 1 . . . A 79 ARG CG . 11424 1 867 . 1 1 86 86 ARG CD C 13 43.610 0.2 . 1 . . . A 79 ARG CD . 11424 1 868 . 1 1 86 86 ARG N N 15 119.451 0.2 . 1 . . . A 79 ARG N . 11424 1 869 . 1 1 87 87 LYS H H 1 7.787 0.02 . 1 . . . A 80 LYS H . 11424 1 870 . 1 1 87 87 LYS HA H 1 4.240 0.02 . 1 . . . A 80 LYS HA . 11424 1 871 . 1 1 87 87 LYS HB2 H 1 1.802 0.02 . 2 . . . A 80 LYS HB2 . 11424 1 872 . 1 1 87 87 LYS HB3 H 1 1.802 0.02 . 2 . . . A 80 LYS HB3 . 11424 1 873 . 1 1 87 87 LYS HG2 H 1 1.427 0.02 . 2 . . . A 80 LYS HG2 . 11424 1 874 . 1 1 87 87 LYS HG3 H 1 1.427 0.02 . 2 . . . A 80 LYS HG3 . 11424 1 875 . 1 1 87 87 LYS HD2 H 1 1.536 0.02 . 2 . . . A 80 LYS HD2 . 11424 1 876 . 1 1 87 87 LYS HD3 H 1 1.536 0.02 . 2 . . . A 80 LYS HD3 . 11424 1 877 . 1 1 87 87 LYS HE2 H 1 2.878 0.02 . 2 . . . A 80 LYS HE2 . 11424 1 878 . 1 1 87 87 LYS HE3 H 1 2.878 0.02 . 2 . . . A 80 LYS HE3 . 11424 1 879 . 1 1 87 87 LYS C C 13 176.521 0.2 . 1 . . . A 80 LYS C . 11424 1 880 . 1 1 87 87 LYS CA C 13 56.666 0.2 . 1 . . . A 80 LYS CA . 11424 1 881 . 1 1 87 87 LYS CB C 13 32.329 0.2 . 1 . . . A 80 LYS CB . 11424 1 882 . 1 1 87 87 LYS CG C 13 24.952 0.2 . 1 . . . A 80 LYS CG . 11424 1 883 . 1 1 87 87 LYS CD C 13 29.289 0.2 . 1 . . . A 80 LYS CD . 11424 1 884 . 1 1 87 87 LYS CE C 13 41.923 0.2 . 1 . . . A 80 LYS CE . 11424 1 885 . 1 1 87 87 LYS N N 15 115.450 0.2 . 1 . . . A 80 LYS N . 11424 1 886 . 1 1 88 88 SER H H 1 7.174 0.02 . 1 . . . A 81 SER H . 11424 1 887 . 1 1 88 88 SER HA H 1 4.125 0.02 . 1 . . . A 81 SER HA . 11424 1 888 . 1 1 88 88 SER HB2 H 1 4.013 0.02 . 1 . . . A 81 SER HB2 . 11424 1 889 . 1 1 88 88 SER HB3 H 1 3.938 0.02 . 1 . . . A 81 SER HB3 . 11424 1 890 . 1 1 88 88 SER C C 13 175.129 0.2 . 1 . . . A 81 SER C . 11424 1 891 . 1 1 88 88 SER CA C 13 60.092 0.2 . 1 . . . A 81 SER CA . 11424 1 892 . 1 1 88 88 SER CB C 13 64.019 0.2 . 1 . . . A 81 SER CB . 11424 1 893 . 1 1 88 88 SER N N 15 114.382 0.2 . 1 . . . A 81 SER N . 11424 1 894 . 1 1 89 89 GLY H H 1 8.451 0.02 . 1 . . . A 82 GLY H . 11424 1 895 . 1 1 89 89 GLY HA2 H 1 4.006 0.02 . 2 . . . A 82 GLY HA2 . 11424 1 896 . 1 1 89 89 GLY HA3 H 1 4.006 0.02 . 2 . . . A 82 GLY HA3 . 11424 1 897 . 1 1 89 89 GLY C C 13 174.200 0.2 . 1 . . . A 82 GLY C . 11424 1 898 . 1 1 89 89 GLY CA C 13 45.365 0.2 . 1 . . . A 82 GLY CA . 11424 1 899 . 1 1 89 89 GLY N N 15 111.314 0.2 . 1 . . . A 82 GLY N . 11424 1 900 . 1 1 90 90 LYS H H 1 8.598 0.02 . 1 . . . A 83 LYS H . 11424 1 901 . 1 1 90 90 LYS HA H 1 3.912 0.02 . 1 . . . A 83 LYS HA . 11424 1 902 . 1 1 90 90 LYS HB2 H 1 1.807 0.02 . 2 . . . A 83 LYS HB2 . 11424 1 903 . 1 1 90 90 LYS HB3 H 1 1.807 0.02 . 2 . . . A 83 LYS HB3 . 11424 1 904 . 1 1 90 90 LYS HG2 H 1 1.427 0.02 . 2 . . . A 83 LYS HG2 . 11424 1 905 . 1 1 90 90 LYS HG3 H 1 1.427 0.02 . 2 . . . A 83 LYS HG3 . 11424 1 906 . 1 1 90 90 LYS HD2 H 1 1.670 0.02 . 2 . . . A 83 LYS HD2 . 11424 1 907 . 1 1 90 90 LYS HD3 H 1 1.670 0.02 . 2 . . . A 83 LYS HD3 . 11424 1 908 . 1 1 90 90 LYS HE2 H 1 2.964 0.02 . 2 . . . A 83 LYS HE2 . 11424 1 909 . 1 1 90 90 LYS HE3 H 1 2.964 0.02 . 2 . . . A 83 LYS HE3 . 11424 1 910 . 1 1 90 90 LYS C C 13 175.596 0.2 . 1 . . . A 83 LYS C . 11424 1 911 . 1 1 90 90 LYS CA C 13 58.785 0.2 . 1 . . . A 83 LYS CA . 11424 1 912 . 1 1 90 90 LYS CB C 13 33.148 0.2 . 1 . . . A 83 LYS CB . 11424 1 913 . 1 1 90 90 LYS CG C 13 24.952 0.2 . 1 . . . A 83 LYS CG . 11424 1 914 . 1 1 90 90 LYS CD C 13 29.425 0.2 . 1 . . . A 83 LYS CD . 11424 1 915 . 1 1 90 90 LYS CE C 13 42.152 0.2 . 1 . . . A 83 LYS CE . 11424 1 916 . 1 1 90 90 LYS N N 15 121.017 0.2 . 1 . . . A 83 LYS N . 11424 1 917 . 1 1 91 91 ASN H H 1 7.897 0.02 . 1 . . . A 84 ASN H . 11424 1 918 . 1 1 91 91 ASN HA H 1 5.796 0.02 . 1 . . . A 84 ASN HA . 11424 1 919 . 1 1 91 91 ASN HB2 H 1 2.550 0.02 . 2 . . . A 84 ASN HB2 . 11424 1 920 . 1 1 91 91 ASN HB3 H 1 2.388 0.02 . 2 . . . A 84 ASN HB3 . 11424 1 921 . 1 1 91 91 ASN C C 13 173.541 0.2 . 1 . . . A 84 ASN C . 11424 1 922 . 1 1 91 91 ASN CA C 13 51.481 0.2 . 1 . . . A 84 ASN CA . 11424 1 923 . 1 1 91 91 ASN CB C 13 41.757 0.2 . 1 . . . A 84 ASN CB . 11424 1 924 . 1 1 91 91 ASN N N 15 113.608 0.2 . 1 . . . A 84 ASN N . 11424 1 925 . 1 1 92 92 ALA H H 1 8.635 0.02 . 1 . . . A 85 ALA H . 11424 1 926 . 1 1 92 92 ALA HA H 1 4.687 0.02 . 1 . . . A 85 ALA HA . 11424 1 927 . 1 1 92 92 ALA HB1 H 1 0.457 0.02 . 1 . . . A 85 ALA HB1 . 11424 1 928 . 1 1 92 92 ALA HB2 H 1 0.457 0.02 . 1 . . . A 85 ALA HB2 . 11424 1 929 . 1 1 92 92 ALA HB3 H 1 0.457 0.02 . 1 . . . A 85 ALA HB3 . 11424 1 930 . 1 1 92 92 ALA C C 13 175.070 0.2 . 1 . . . A 85 ALA C . 11424 1 931 . 1 1 92 92 ALA CA C 13 50.939 0.2 . 1 . . . A 85 ALA CA . 11424 1 932 . 1 1 92 92 ALA CB C 13 20.662 0.2 . 1 . . . A 85 ALA CB . 11424 1 933 . 1 1 92 92 ALA N N 15 122.562 0.2 . 1 . . . A 85 ALA N . 11424 1 934 . 1 1 93 93 LYS H H 1 8.456 0.02 . 1 . . . A 86 LYS H . 11424 1 935 . 1 1 93 93 LYS HA H 1 4.938 0.02 . 1 . . . A 86 LYS HA . 11424 1 936 . 1 1 93 93 LYS HB2 H 1 1.571 0.02 . 1 . . . A 86 LYS HB2 . 11424 1 937 . 1 1 93 93 LYS HB3 H 1 1.608 0.02 . 1 . . . A 86 LYS HB3 . 11424 1 938 . 1 1 93 93 LYS HG2 H 1 1.231 0.02 . 1 . . . A 86 LYS HG2 . 11424 1 939 . 1 1 93 93 LYS HG3 H 1 1.150 0.02 . 1 . . . A 86 LYS HG3 . 11424 1 940 . 1 1 93 93 LYS HD2 H 1 1.536 0.02 . 2 . . . A 86 LYS HD2 . 11424 1 941 . 1 1 93 93 LYS HD3 H 1 1.536 0.02 . 2 . . . A 86 LYS HD3 . 11424 1 942 . 1 1 93 93 LYS HE2 H 1 2.799 0.02 . 2 . . . A 86 LYS HE2 . 11424 1 943 . 1 1 93 93 LYS HE3 H 1 2.799 0.02 . 2 . . . A 86 LYS HE3 . 11424 1 944 . 1 1 93 93 LYS C C 13 175.865 0.2 . 1 . . . A 86 LYS C . 11424 1 945 . 1 1 93 93 LYS CA C 13 55.189 0.2 . 1 . . . A 86 LYS CA . 11424 1 946 . 1 1 93 93 LYS CB C 13 33.390 0.2 . 1 . . . A 86 LYS CB . 11424 1 947 . 1 1 93 93 LYS CG C 13 25.059 0.2 . 1 . . . A 86 LYS CG . 11424 1 948 . 1 1 93 93 LYS CD C 13 29.289 0.2 . 1 . . . A 86 LYS CD . 11424 1 949 . 1 1 93 93 LYS CE C 13 41.979 0.2 . 1 . . . A 86 LYS CE . 11424 1 950 . 1 1 93 93 LYS N N 15 123.705 0.2 . 1 . . . A 86 LYS N . 11424 1 951 . 1 1 94 94 ILE H H 1 9.373 0.02 . 1 . . . A 87 ILE H . 11424 1 952 . 1 1 94 94 ILE HA H 1 4.726 0.02 . 1 . . . A 87 ILE HA . 11424 1 953 . 1 1 94 94 ILE HB H 1 1.620 0.02 . 1 . . . A 87 ILE HB . 11424 1 954 . 1 1 94 94 ILE HG12 H 1 1.270 0.02 . 2 . . . A 87 ILE HG12 . 11424 1 955 . 1 1 94 94 ILE HG13 H 1 1.270 0.02 . 2 . . . A 87 ILE HG13 . 11424 1 956 . 1 1 94 94 ILE HG21 H 1 0.740 0.02 . 1 . . . A 87 ILE HG21 . 11424 1 957 . 1 1 94 94 ILE HG22 H 1 0.740 0.02 . 1 . . . A 87 ILE HG22 . 11424 1 958 . 1 1 94 94 ILE HG23 H 1 0.740 0.02 . 1 . . . A 87 ILE HG23 . 11424 1 959 . 1 1 94 94 ILE HD11 H 1 0.387 0.02 . 1 . . . A 87 ILE HD11 . 11424 1 960 . 1 1 94 94 ILE HD12 H 1 0.387 0.02 . 1 . . . A 87 ILE HD12 . 11424 1 961 . 1 1 94 94 ILE HD13 H 1 0.387 0.02 . 1 . . . A 87 ILE HD13 . 11424 1 962 . 1 1 94 94 ILE C C 13 174.244 0.2 . 1 . . . A 87 ILE C . 11424 1 963 . 1 1 94 94 ILE CA C 13 59.831 0.2 . 1 . . . A 87 ILE CA . 11424 1 964 . 1 1 94 94 ILE CB C 13 40.830 0.2 . 1 . . . A 87 ILE CB . 11424 1 965 . 1 1 94 94 ILE CG1 C 13 27.333 0.2 . 1 . . . A 87 ILE CG1 . 11424 1 966 . 1 1 94 94 ILE CG2 C 13 17.747 0.2 . 1 . . . A 87 ILE CG2 . 11424 1 967 . 1 1 94 94 ILE CD1 C 13 13.001 0.2 . 1 . . . A 87 ILE CD1 . 11424 1 968 . 1 1 94 94 ILE N N 15 129.428 0.2 . 1 . . . A 87 ILE N . 11424 1 969 . 1 1 95 95 THR H H 1 8.622 0.02 . 1 . . . A 88 THR H . 11424 1 970 . 1 1 95 95 THR HA H 1 5.325 0.02 . 1 . . . A 88 THR HA . 11424 1 971 . 1 1 95 95 THR HB H 1 3.701 0.02 . 1 . . . A 88 THR HB . 11424 1 972 . 1 1 95 95 THR HG21 H 1 1.105 0.02 . 1 . . . A 88 THR HG21 . 11424 1 973 . 1 1 95 95 THR HG22 H 1 1.105 0.02 . 1 . . . A 88 THR HG22 . 11424 1 974 . 1 1 95 95 THR HG23 H 1 1.105 0.02 . 1 . . . A 88 THR HG23 . 11424 1 975 . 1 1 95 95 THR C C 13 174.577 0.2 . 1 . . . A 88 THR C . 11424 1 976 . 1 1 95 95 THR CA C 13 61.881 0.2 . 1 . . . A 88 THR CA . 11424 1 977 . 1 1 95 95 THR CB C 13 70.073 0.2 . 1 . . . A 88 THR CB . 11424 1 978 . 1 1 95 95 THR CG2 C 13 21.644 0.2 . 1 . . . A 88 THR CG2 . 11424 1 979 . 1 1 95 95 THR N N 15 124.570 0.2 . 1 . . . A 88 THR N . 11424 1 980 . 1 1 96 96 ILE H H 1 9.564 0.02 . 1 . . . A 89 ILE H . 11424 1 981 . 1 1 96 96 ILE HA H 1 5.569 0.02 . 1 . . . A 89 ILE HA . 11424 1 982 . 1 1 96 96 ILE HB H 1 1.987 0.02 . 1 . . . A 89 ILE HB . 11424 1 983 . 1 1 96 96 ILE HG12 H 1 1.209 0.02 . 1 . . . A 89 ILE HG12 . 11424 1 984 . 1 1 96 96 ILE HG13 H 1 1.461 0.02 . 1 . . . A 89 ILE HG13 . 11424 1 985 . 1 1 96 96 ILE HG21 H 1 0.807 0.02 . 1 . . . A 89 ILE HG21 . 11424 1 986 . 1 1 96 96 ILE HG22 H 1 0.807 0.02 . 1 . . . A 89 ILE HG22 . 11424 1 987 . 1 1 96 96 ILE HG23 H 1 0.807 0.02 . 1 . . . A 89 ILE HG23 . 11424 1 988 . 1 1 96 96 ILE HD11 H 1 0.807 0.02 . 1 . . . A 89 ILE HD11 . 11424 1 989 . 1 1 96 96 ILE HD12 H 1 0.807 0.02 . 1 . . . A 89 ILE HD12 . 11424 1 990 . 1 1 96 96 ILE HD13 H 1 0.807 0.02 . 1 . . . A 89 ILE HD13 . 11424 1 991 . 1 1 96 96 ILE C C 13 175.181 0.2 . 1 . . . A 89 ILE C . 11424 1 992 . 1 1 96 96 ILE CA C 13 57.110 0.2 . 1 . . . A 89 ILE CA . 11424 1 993 . 1 1 96 96 ILE CB C 13 43.479 0.2 . 1 . . . A 89 ILE CB . 11424 1 994 . 1 1 96 96 ILE CG1 C 13 26.365 0.2 . 1 . . . A 89 ILE CG1 . 11424 1 995 . 1 1 96 96 ILE CG2 C 13 22.352 0.2 . 1 . . . A 89 ILE CG2 . 11424 1 996 . 1 1 96 96 ILE CD1 C 13 16.875 0.2 . 1 . . . A 89 ILE CD1 . 11424 1 997 . 1 1 96 96 ILE N N 15 121.244 0.2 . 1 . . . A 89 ILE N . 11424 1 998 . 1 1 97 97 ARG H H 1 9.229 0.02 . 1 . . . A 90 ARG H . 11424 1 999 . 1 1 97 97 ARG HA H 1 5.297 0.02 . 1 . . . A 90 ARG HA . 11424 1 1000 . 1 1 97 97 ARG HB2 H 1 1.620 0.02 . 2 . . . A 90 ARG HB2 . 11424 1 1001 . 1 1 97 97 ARG HB3 H 1 1.428 0.02 . 2 . . . A 90 ARG HB3 . 11424 1 1002 . 1 1 97 97 ARG HG2 H 1 1.345 0.02 . 2 . . . A 90 ARG HG2 . 11424 1 1003 . 1 1 97 97 ARG HG3 H 1 1.345 0.02 . 2 . . . A 90 ARG HG3 . 11424 1 1004 . 1 1 97 97 ARG HD2 H 1 2.744 0.02 . 1 . . . A 90 ARG HD2 . 11424 1 1005 . 1 1 97 97 ARG HD3 H 1 2.556 0.02 . 1 . . . A 90 ARG HD3 . 11424 1 1006 . 1 1 97 97 ARG C C 13 174.324 0.2 . 1 . . . A 90 ARG C . 11424 1 1007 . 1 1 97 97 ARG CA C 13 54.947 0.2 . 1 . . . A 90 ARG CA . 11424 1 1008 . 1 1 97 97 ARG CB C 13 33.409 0.2 . 1 . . . A 90 ARG CB . 11424 1 1009 . 1 1 97 97 ARG CG C 13 28.296 0.2 . 1 . . . A 90 ARG CG . 11424 1 1010 . 1 1 97 97 ARG CD C 13 43.097 0.2 . 1 . . . A 90 ARG CD . 11424 1 1011 . 1 1 98 98 ARG H H 1 9.322 0.02 . 1 . . . A 91 ARG H . 11424 1 1012 . 1 1 98 98 ARG HA H 1 5.037 0.02 . 1 . . . A 91 ARG HA . 11424 1 1013 . 1 1 98 98 ARG HB2 H 1 1.804 0.02 . 1 . . . A 91 ARG HB2 . 11424 1 1014 . 1 1 98 98 ARG HB3 H 1 1.748 0.02 . 1 . . . A 91 ARG HB3 . 11424 1 1015 . 1 1 98 98 ARG HG2 H 1 1.530 0.02 . 2 . . . A 91 ARG HG2 . 11424 1 1016 . 1 1 98 98 ARG HG3 H 1 1.530 0.02 . 2 . . . A 91 ARG HG3 . 11424 1 1017 . 1 1 98 98 ARG HD2 H 1 3.140 0.02 . 1 . . . A 91 ARG HD2 . 11424 1 1018 . 1 1 98 98 ARG HD3 H 1 2.855 0.02 . 1 . . . A 91 ARG HD3 . 11424 1 1019 . 1 1 98 98 ARG C C 13 174.513 0.2 . 1 . . . A 91 ARG C . 11424 1 1020 . 1 1 98 98 ARG CA C 13 54.660 0.2 . 1 . . . A 91 ARG CA . 11424 1 1021 . 1 1 98 98 ARG CB C 13 35.277 0.2 . 1 . . . A 91 ARG CB . 11424 1 1022 . 1 1 98 98 ARG CG C 13 24.801 0.2 . 1 . . . A 91 ARG CG . 11424 1 1023 . 1 1 98 98 ARG CD C 13 43.434 0.2 . 1 . . . A 91 ARG CD . 11424 1 1024 . 1 1 98 98 ARG N N 15 125.492 0.2 . 1 . . . A 91 ARG N . 11424 1 1025 . 1 1 99 99 LYS H H 1 8.640 0.02 . 1 . . . A 92 LYS H . 11424 1 1026 . 1 1 99 99 LYS HA H 1 3.854 0.02 . 1 . . . A 92 LYS HA . 11424 1 1027 . 1 1 99 99 LYS HB2 H 1 1.248 0.02 . 2 . . . A 92 LYS HB2 . 11424 1 1028 . 1 1 99 99 LYS HB3 H 1 1.248 0.02 . 2 . . . A 92 LYS HB3 . 11424 1 1029 . 1 1 99 99 LYS HG2 H 1 0.509 0.02 . 1 . . . A 92 LYS HG2 . 11424 1 1030 . 1 1 99 99 LYS HG3 H 1 0.735 0.02 . 1 . . . A 92 LYS HG3 . 11424 1 1031 . 1 1 99 99 LYS HD2 H 1 1.113 0.02 . 2 . . . A 92 LYS HD2 . 11424 1 1032 . 1 1 99 99 LYS HD3 H 1 1.025 0.02 . 2 . . . A 92 LYS HD3 . 11424 1 1033 . 1 1 99 99 LYS HE2 H 1 2.516 0.02 . 2 . . . A 92 LYS HE2 . 11424 1 1034 . 1 1 99 99 LYS HE3 H 1 2.477 0.02 . 2 . . . A 92 LYS HE3 . 11424 1 1035 . 1 1 99 99 LYS C C 13 175.800 0.2 . 1 . . . A 92 LYS C . 11424 1 1036 . 1 1 99 99 LYS CA C 13 56.785 0.2 . 1 . . . A 92 LYS CA . 11424 1 1037 . 1 1 99 99 LYS CB C 13 32.469 0.2 . 1 . . . A 92 LYS CB . 11424 1 1038 . 1 1 99 99 LYS CG C 13 24.328 0.2 . 1 . . . A 92 LYS CG . 11424 1 1039 . 1 1 99 99 LYS CD C 13 28.989 0.2 . 1 . . . A 92 LYS CD . 11424 1 1040 . 1 1 99 99 LYS CE C 13 41.745 0.2 . 1 . . . A 92 LYS CE . 11424 1 1041 . 1 1 100 100 LYS H H 1 8.208 0.02 . 1 . . . A 93 LYS H . 11424 1 1042 . 1 1 100 100 LYS HA H 1 4.131 0.02 . 1 . . . A 93 LYS HA . 11424 1 1043 . 1 1 100 100 LYS HB2 H 1 2.177 0.02 . 2 . . . A 93 LYS HB2 . 11424 1 1044 . 1 1 100 100 LYS HB3 H 1 2.039 0.02 . 2 . . . A 93 LYS HB3 . 11424 1 1045 . 1 1 100 100 LYS C C 13 181.464 0.2 . 1 . . . A 93 LYS C . 11424 1 1046 . 1 1 100 100 LYS CA C 13 57.794 0.2 . 1 . . . A 93 LYS CA . 11424 1 1047 . 1 1 100 100 LYS CB C 13 32.933 0.2 . 1 . . . A 93 LYS CB . 11424 1 1048 . 1 1 100 100 LYS N N 15 131.484 0.2 . 1 . . . A 93 LYS N . 11424 1 stop_ save_