data_18824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18824 _Entry.Title ; Structural characterization of the extended PDZ1 domain from NHERF1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-06 _Entry.Accession_date 2012-11-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Shibani Bhattacharya . . . 18824 2 Jeong Ju . H. . 18824 3 David Cowburn . . . 18824 4 Zimei Bu . . . 18824 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18824 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PDZ domain' . 18824 Protein/Peptide . 18824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 18824 '15N chemical shifts' 119 18824 '1H chemical shifts' 823 18824 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 . . 2013-07-09 2013-11-06 update BMRB 'update entry citation' 18824 1 . . 2013-04-22 2013-11-06 original author 'original release' 18824 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18825 'C-terminal CFTR peptide and extended PDZ1 domain from NHERF1' 18824 BMRB 18826 'C-terminal CFTR peptide and extended PDZ2 domain from NHERF1' 18824 PDB 2M0T 'BMRB Entry Tracking System' 18824 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23583913 _Citation.Full_citation . _Citation.Title 'Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 14 _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 2509 _Citation.Page_last 2528 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shibani Bhattacharya . . . 18824 1 2 'Jeong Ho' Ju . . . 18824 1 3 Natalia Orlova . . . 18824 1 4 'Jahan Ali' Khajeh . . . 18824 1 5 David Cowburn . . . 18824 1 6 Zimei Bu . . . 18824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18824 _Assembly.ID 1 _Assembly.Name 'extended PDZ1 domain from NHERF1' _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 'extended PDZ1 domain from NHERF1' 1 $PDZ1 A . yes native no no . . . 18824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ1 _Entity.Sf_category entity _Entity.Sf_framecode PDZ1 _Entity.Entry_ID 18824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDZ1 _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 ; GIDPFTMLPRLCCLEKGPNG YGFHLHGEKGKLGQYIRLVE PGSPAEKAGLLAGDRLVEVN GENVEKETHQQVVSRIRAAL NAVRLLVVDPETDEQLQKLG VQVREELLRAQEAPGQA ; _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12822.731 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18825 . PDZ1 . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18824 1 2 no PDB 1G9O . "First Pdz Domain Of The Human Na+H+ EXCHANGER REGULATORY Factor" . . . . . 76.92 91 100.00 100.00 1.89e-56 . . . . 18824 1 3 no PDB 2M0T . "Structural Characterization Of The Extended Pdz1 Domain From Nherf1" . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18824 1 4 no PDB 2M0U . "Complex Structure Of C-terminal Cftr Peptide And Extended Pdz1 Domain From Nherf1" . . . . . 100.00 117 100.00 100.00 1.46e-76 . . . . 18824 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 4 GLY . 18824 1 2 5 ILE . 18824 1 3 6 ASP . 18824 1 4 7 PRO . 18824 1 5 8 PHE . 18824 1 6 9 THR . 18824 1 7 10 MET . 18824 1 8 11 LEU . 18824 1 9 12 PRO . 18824 1 10 13 ARG . 18824 1 11 14 LEU . 18824 1 12 15 CYS . 18824 1 13 16 CYS . 18824 1 14 17 LEU . 18824 1 15 18 GLU . 18824 1 16 19 LYS . 18824 1 17 20 GLY . 18824 1 18 21 PRO . 18824 1 19 22 ASN . 18824 1 20 23 GLY . 18824 1 21 24 TYR . 18824 1 22 25 GLY . 18824 1 23 26 PHE . 18824 1 24 27 HIS . 18824 1 25 28 LEU . 18824 1 26 29 HIS . 18824 1 27 30 GLY . 18824 1 28 31 GLU . 18824 1 29 32 LYS . 18824 1 30 33 GLY . 18824 1 31 34 LYS . 18824 1 32 35 LEU . 18824 1 33 36 GLY . 18824 1 34 37 GLN . 18824 1 35 38 TYR . 18824 1 36 39 ILE . 18824 1 37 40 ARG . 18824 1 38 41 LEU . 18824 1 39 42 VAL . 18824 1 40 43 GLU . 18824 1 41 44 PRO . 18824 1 42 45 GLY . 18824 1 43 46 SER . 18824 1 44 47 PRO . 18824 1 45 48 ALA . 18824 1 46 49 GLU . 18824 1 47 50 LYS . 18824 1 48 51 ALA . 18824 1 49 52 GLY . 18824 1 50 53 LEU . 18824 1 51 54 LEU . 18824 1 52 55 ALA . 18824 1 53 56 GLY . 18824 1 54 57 ASP . 18824 1 55 58 ARG . 18824 1 56 59 LEU . 18824 1 57 60 VAL . 18824 1 58 61 GLU . 18824 1 59 62 VAL . 18824 1 60 63 ASN . 18824 1 61 64 GLY . 18824 1 62 65 GLU . 18824 1 63 66 ASN . 18824 1 64 67 VAL . 18824 1 65 68 GLU . 18824 1 66 69 LYS . 18824 1 67 70 GLU . 18824 1 68 71 THR . 18824 1 69 72 HIS . 18824 1 70 73 GLN . 18824 1 71 74 GLN . 18824 1 72 75 VAL . 18824 1 73 76 VAL . 18824 1 74 77 SER . 18824 1 75 78 ARG . 18824 1 76 79 ILE . 18824 1 77 80 ARG . 18824 1 78 81 ALA . 18824 1 79 82 ALA . 18824 1 80 83 LEU . 18824 1 81 84 ASN . 18824 1 82 85 ALA . 18824 1 83 86 VAL . 18824 1 84 87 ARG . 18824 1 85 88 LEU . 18824 1 86 89 LEU . 18824 1 87 90 VAL . 18824 1 88 91 VAL . 18824 1 89 92 ASP . 18824 1 90 93 PRO . 18824 1 91 94 GLU . 18824 1 92 95 THR . 18824 1 93 96 ASP . 18824 1 94 97 GLU . 18824 1 95 98 GLN . 18824 1 96 99 LEU . 18824 1 97 100 GLN . 18824 1 98 101 LYS . 18824 1 99 102 LEU . 18824 1 100 103 GLY . 18824 1 101 104 VAL . 18824 1 102 105 GLN . 18824 1 103 106 VAL . 18824 1 104 107 ARG . 18824 1 105 108 GLU . 18824 1 106 109 GLU . 18824 1 107 110 LEU . 18824 1 108 111 LEU . 18824 1 109 112 ARG . 18824 1 110 113 ALA . 18824 1 111 114 GLN . 18824 1 112 115 GLU . 18824 1 113 116 ALA . 18824 1 114 117 PRO . 18824 1 115 118 GLY . 18824 1 116 119 GLN . 18824 1 117 120 ALA . 18824 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 18824 1 . ILE 2 2 18824 1 . ASP 3 3 18824 1 . PRO 4 4 18824 1 . PHE 5 5 18824 1 . THR 6 6 18824 1 . MET 7 7 18824 1 . LEU 8 8 18824 1 . PRO 9 9 18824 1 . ARG 10 10 18824 1 . LEU 11 11 18824 1 . CYS 12 12 18824 1 . CYS 13 13 18824 1 . LEU 14 14 18824 1 . GLU 15 15 18824 1 . LYS 16 16 18824 1 . GLY 17 17 18824 1 . PRO 18 18 18824 1 . ASN 19 19 18824 1 . GLY 20 20 18824 1 . TYR 21 21 18824 1 . GLY 22 22 18824 1 . PHE 23 23 18824 1 . HIS 24 24 18824 1 . LEU 25 25 18824 1 . HIS 26 26 18824 1 . GLY 27 27 18824 1 . GLU 28 28 18824 1 . LYS 29 29 18824 1 . GLY 30 30 18824 1 . LYS 31 31 18824 1 . LEU 32 32 18824 1 . GLY 33 33 18824 1 . GLN 34 34 18824 1 . TYR 35 35 18824 1 . ILE 36 36 18824 1 . ARG 37 37 18824 1 . LEU 38 38 18824 1 . VAL 39 39 18824 1 . GLU 40 40 18824 1 . PRO 41 41 18824 1 . GLY 42 42 18824 1 . SER 43 43 18824 1 . PRO 44 44 18824 1 . ALA 45 45 18824 1 . GLU 46 46 18824 1 . LYS 47 47 18824 1 . ALA 48 48 18824 1 . GLY 49 49 18824 1 . LEU 50 50 18824 1 . LEU 51 51 18824 1 . ALA 52 52 18824 1 . GLY 53 53 18824 1 . ASP 54 54 18824 1 . ARG 55 55 18824 1 . LEU 56 56 18824 1 . VAL 57 57 18824 1 . GLU 58 58 18824 1 . VAL 59 59 18824 1 . ASN 60 60 18824 1 . GLY 61 61 18824 1 . GLU 62 62 18824 1 . ASN 63 63 18824 1 . VAL 64 64 18824 1 . GLU 65 65 18824 1 . LYS 66 66 18824 1 . GLU 67 67 18824 1 . THR 68 68 18824 1 . HIS 69 69 18824 1 . GLN 70 70 18824 1 . GLN 71 71 18824 1 . VAL 72 72 18824 1 . VAL 73 73 18824 1 . SER 74 74 18824 1 . ARG 75 75 18824 1 . ILE 76 76 18824 1 . ARG 77 77 18824 1 . ALA 78 78 18824 1 . ALA 79 79 18824 1 . LEU 80 80 18824 1 . ASN 81 81 18824 1 . ALA 82 82 18824 1 . VAL 83 83 18824 1 . ARG 84 84 18824 1 . LEU 85 85 18824 1 . LEU 86 86 18824 1 . VAL 87 87 18824 1 . VAL 88 88 18824 1 . ASP 89 89 18824 1 . PRO 90 90 18824 1 . GLU 91 91 18824 1 . THR 92 92 18824 1 . ASP 93 93 18824 1 . GLU 94 94 18824 1 . GLN 95 95 18824 1 . LEU 96 96 18824 1 . GLN 97 97 18824 1 . LYS 98 98 18824 1 . LEU 99 99 18824 1 . GLY 100 100 18824 1 . VAL 101 101 18824 1 . GLN 102 102 18824 1 . VAL 103 103 18824 1 . ARG 104 104 18824 1 . GLU 105 105 18824 1 . GLU 106 106 18824 1 . LEU 107 107 18824 1 . LEU 108 108 18824 1 . ARG 109 109 18824 1 . ALA 110 110 18824 1 . GLN 111 111 18824 1 . GLU 112 112 18824 1 . ALA 113 113 18824 1 . PRO 114 114 18824 1 . GLY 115 115 18824 1 . GLN 116 116 18824 1 . ALA 117 117 18824 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 18824 _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 $PDZ1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18824 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 18824 _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 $PDZ1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta 2 (DE3)' . . . . . . . . . . . . . . . pET151/D-TOPO . . . . . . 18824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18824 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PDZ1 '[U-99% 13C; U-99% 15N]' . . 1 $PDZ1 . . 400 . . uM . . . . 18824 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18824 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18824 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 18824 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 18824 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18824 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18824 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 18824 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18824 1 pH 7.5 . pH 18824 1 pressure 1 . atm 18824 1 temperature 288 . K 18824 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18824 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18824 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18824 1 processing 18824 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18824 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18824 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18824 2 'peak picking' 18824 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18824 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18824 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18824 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18824 _Software.ID 4 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18824 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18824 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18824 _Software.ID 5 _Software.Name TALOS _Software.Version 1.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18824 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18824 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 18824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18824 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18824 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 18824 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18824 _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 . 900 . . . 18824 1 2 spectrometer_2 Bruker Avance . 800 . . . 18824 1 3 spectrometer_3 Bruker Avance . 700 . . . 18824 1 4 spectrometer_4 Bruker Avance . 600 . . . 18824 1 5 spectrometer_5 Bruker Avance . 500 . . . 18824 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 18824 _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 . . . . . . . . . . . . . . . . 18824 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18824 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18824 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18824 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18824 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18824 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18824 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18824 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18824 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18824 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18824 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18824 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18824 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 18824 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 18824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18824 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18824 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18824 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 18824 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18824 1 2 '3D HNCACB' . . . 18824 1 11 '3D H(CCO)NH' . . . 18824 1 14 '3D HCCH-TOCSY' . . . 18824 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.722 0.05 . 2 . . . A 4 GLY HA2 . 18824 1 2 . 1 1 1 1 GLY HA3 H 1 3.721 0.05 . 2 . . . A 4 GLY HA3 . 18824 1 3 . 1 1 1 1 GLY C C 13 169.725 0.50 . 1 . . . A 4 GLY C . 18824 1 4 . 1 1 1 1 GLY CA C 13 42.968 0.50 . 1 . . . A 4 GLY CA . 18824 1 5 . 1 1 2 2 ILE H H 1 8.370 0.05 . 1 . . . A 5 ILE H . 18824 1 6 . 1 1 2 2 ILE HA H 1 4.058 0.05 . 1 . . . A 5 ILE HA . 18824 1 7 . 1 1 2 2 ILE HB H 1 1.663 0.05 . 1 . . . A 5 ILE HB . 18824 1 8 . 1 1 2 2 ILE HG12 H 1 1.026 0.05 . 2 . . . A 5 ILE HG12 . 18824 1 9 . 1 1 2 2 ILE HG13 H 1 1.304 0.05 . 2 . . . A 5 ILE HG13 . 18824 1 10 . 1 1 2 2 ILE HG21 H 1 0.740 0.05 . 1 . . . A 5 ILE HG21 . 18824 1 11 . 1 1 2 2 ILE HG22 H 1 0.740 0.05 . 1 . . . A 5 ILE HG22 . 18824 1 12 . 1 1 2 2 ILE HG23 H 1 0.740 0.05 . 1 . . . A 5 ILE HG23 . 18824 1 13 . 1 1 2 2 ILE HD11 H 1 0.717 0.05 . 1 . . . A 5 ILE HD11 . 18824 1 14 . 1 1 2 2 ILE HD12 H 1 0.717 0.05 . 1 . . . A 5 ILE HD12 . 18824 1 15 . 1 1 2 2 ILE HD13 H 1 0.717 0.05 . 1 . . . A 5 ILE HD13 . 18824 1 16 . 1 1 2 2 ILE C C 13 175.649 0.50 . 1 . . . A 5 ILE C . 18824 1 17 . 1 1 2 2 ILE CA C 13 60.596 0.50 . 1 . . . A 5 ILE CA . 18824 1 18 . 1 1 2 2 ILE CB C 13 38.674 0.50 . 1 . . . A 5 ILE CB . 18824 1 19 . 1 1 2 2 ILE CG1 C 13 26.754 0.50 . 1 . . . A 5 ILE CG1 . 18824 1 20 . 1 1 2 2 ILE CG2 C 13 17.094 0.50 . 1 . . . A 5 ILE CG2 . 18824 1 21 . 1 1 2 2 ILE CD1 C 13 12.884 0.50 . 1 . . . A 5 ILE CD1 . 18824 1 22 . 1 1 2 2 ILE N N 15 119.691 0.10 . 1 . . . A 5 ILE N . 18824 1 23 . 1 1 3 3 ASP H H 1 8.373 0.05 . 1 . . . A 6 ASP H . 18824 1 24 . 1 1 3 3 ASP HA H 1 4.690 0.05 . 1 . . . A 6 ASP HA . 18824 1 25 . 1 1 3 3 ASP HB2 H 1 2.396 0.05 . 2 . . . A 6 ASP HB2 . 18824 1 26 . 1 1 3 3 ASP HB3 H 1 2.563 0.05 . 2 . . . A 6 ASP HB3 . 18824 1 27 . 1 1 3 3 ASP CA C 13 52.261 0.50 . 1 . . . A 6 ASP CA . 18824 1 28 . 1 1 3 3 ASP CB C 13 40.555 0.50 . 1 . . . A 6 ASP CB . 18824 1 29 . 1 1 3 3 ASP N N 15 126.564 0.10 . 1 . . . A 6 ASP N . 18824 1 30 . 1 1 4 4 PRO HA H 1 4.160 0.05 . 1 . . . A 7 PRO HA . 18824 1 31 . 1 1 4 4 PRO HB2 H 1 1.538 0.05 . 2 . . . A 7 PRO HB2 . 18824 1 32 . 1 1 4 4 PRO HB3 H 1 2.000 0.05 . 2 . . . A 7 PRO HB3 . 18824 1 33 . 1 1 4 4 PRO HG2 H 1 1.658 0.05 . 2 . . . A 7 PRO HG2 . 18824 1 34 . 1 1 4 4 PRO HG3 H 1 1.792 0.05 . 2 . . . A 7 PRO HG3 . 18824 1 35 . 1 1 4 4 PRO HD2 H 1 3.582 0.05 . 2 . . . A 7 PRO HD2 . 18824 1 36 . 1 1 4 4 PRO HD3 H 1 3.710 0.05 . 2 . . . A 7 PRO HD3 . 18824 1 37 . 1 1 4 4 PRO C C 13 176.417 0.50 . 1 . . . A 7 PRO C . 18824 1 38 . 1 1 4 4 PRO CA C 13 63.051 0.50 . 1 . . . A 7 PRO CA . 18824 1 39 . 1 1 4 4 PRO CB C 13 31.680 0.50 . 1 . . . A 7 PRO CB . 18824 1 40 . 1 1 4 4 PRO CG C 13 26.790 0.50 . 1 . . . A 7 PRO CG . 18824 1 41 . 1 1 4 4 PRO CD C 13 50.515 0.50 . 1 . . . A 7 PRO CD . 18824 1 42 . 1 1 5 5 PHE H H 1 7.974 0.05 . 1 . . . A 8 PHE H . 18824 1 43 . 1 1 5 5 PHE HA H 1 4.544 0.05 . 1 . . . A 8 PHE HA . 18824 1 44 . 1 1 5 5 PHE HB2 H 1 2.953 0.05 . 2 . . . A 8 PHE HB2 . 18824 1 45 . 1 1 5 5 PHE HB3 H 1 3.111 0.05 . 2 . . . A 8 PHE HB3 . 18824 1 46 . 1 1 5 5 PHE HD1 H 1 7.170 0.05 . 3 . . . A 8 PHE HD1 . 18824 1 47 . 1 1 5 5 PHE HD2 H 1 7.170 0.05 . 3 . . . A 8 PHE HD2 . 18824 1 48 . 1 1 5 5 PHE HE1 H 1 7.175 0.05 . 3 . . . A 8 PHE HE1 . 18824 1 49 . 1 1 5 5 PHE HE2 H 1 7.175 0.05 . 3 . . . A 8 PHE HE2 . 18824 1 50 . 1 1 5 5 PHE HZ H 1 7.155 0.05 . 1 . . . A 8 PHE HZ . 18824 1 51 . 1 1 5 5 PHE CA C 13 57.253 0.50 . 1 . . . A 8 PHE CA . 18824 1 52 . 1 1 5 5 PHE CB C 13 38.444 0.50 . 1 . . . A 8 PHE CB . 18824 1 53 . 1 1 5 5 PHE CD1 C 13 131.820 0.50 . 3 . . . A 8 PHE CD1 . 18824 1 54 . 1 1 5 5 PHE CD2 C 13 131.820 0.50 . 3 . . . A 8 PHE CD2 . 18824 1 55 . 1 1 5 5 PHE CE1 C 13 131.413 0.50 . 3 . . . A 8 PHE CE1 . 18824 1 56 . 1 1 5 5 PHE CE2 C 13 131.413 0.50 . 3 . . . A 8 PHE CE2 . 18824 1 57 . 1 1 5 5 PHE CZ C 13 129.376 0.50 . 1 . . . A 8 PHE CZ . 18824 1 58 . 1 1 5 5 PHE N N 15 117.858 0.10 . 1 . . . A 8 PHE N . 18824 1 59 . 1 1 6 6 THR H H 1 7.927 0.05 . 1 . . . A 9 THR H . 18824 1 60 . 1 1 6 6 THR HA H 1 4.338 0.05 . 1 . . . A 9 THR HA . 18824 1 61 . 1 1 6 6 THR HB H 1 4.181 0.05 . 1 . . . A 9 THR HB . 18824 1 62 . 1 1 6 6 THR HG21 H 1 1.074 0.05 . 1 . . . A 9 THR HG21 . 18824 1 63 . 1 1 6 6 THR HG22 H 1 1.074 0.05 . 1 . . . A 9 THR HG22 . 18824 1 64 . 1 1 6 6 THR HG23 H 1 1.074 0.05 . 1 . . . A 9 THR HG23 . 18824 1 65 . 1 1 6 6 THR C C 13 175.888 0.50 . 1 . . . A 9 THR C . 18824 1 66 . 1 1 6 6 THR CA C 13 60.827 0.50 . 1 . . . A 9 THR CA . 18824 1 67 . 1 1 6 6 THR CB C 13 69.387 0.50 . 1 . . . A 9 THR CB . 18824 1 68 . 1 1 6 6 THR CG2 C 13 21.824 0.50 . 1 . . . A 9 THR CG2 . 18824 1 69 . 1 1 6 6 THR N N 15 112.459 0.10 . 1 . . . A 9 THR N . 18824 1 70 . 1 1 7 7 MET H H 1 7.648 0.05 . 1 . . . A 10 MET H . 18824 1 71 . 1 1 7 7 MET HA H 1 4.310 0.05 . 1 . . . A 10 MET HA . 18824 1 72 . 1 1 7 7 MET C C 13 174.386 0.50 . 1 . . . A 10 MET C . 18824 1 73 . 1 1 7 7 MET CA C 13 52.415 0.50 . 1 . . . A 10 MET CA . 18824 1 74 . 1 1 7 7 MET N N 15 121.338 0.10 . 1 . . . A 10 MET N . 18824 1 75 . 1 1 8 8 LEU HA H 1 4.690 0.05 . 1 . . . A 11 LEU HA . 18824 1 76 . 1 1 8 8 LEU HB2 H 1 1.441 0.05 . 2 . . . A 11 LEU HB2 . 18824 1 77 . 1 1 8 8 LEU HB3 H 1 1.518 0.05 . 2 . . . A 11 LEU HB3 . 18824 1 78 . 1 1 8 8 LEU HG H 1 1.585 0.05 . 1 . . . A 11 LEU HG . 18824 1 79 . 1 1 8 8 LEU HD11 H 1 0.800 0.05 . 2 . . . A 11 LEU HD11 . 18824 1 80 . 1 1 8 8 LEU HD12 H 1 0.800 0.05 . 2 . . . A 11 LEU HD12 . 18824 1 81 . 1 1 8 8 LEU HD13 H 1 0.800 0.05 . 2 . . . A 11 LEU HD13 . 18824 1 82 . 1 1 8 8 LEU HD21 H 1 0.811 0.05 . 2 . . . A 11 LEU HD21 . 18824 1 83 . 1 1 8 8 LEU HD22 H 1 0.811 0.05 . 2 . . . A 11 LEU HD22 . 18824 1 84 . 1 1 8 8 LEU HD23 H 1 0.811 0.05 . 2 . . . A 11 LEU HD23 . 18824 1 85 . 1 1 8 8 LEU CA C 13 52.606 0.50 . 1 . . . A 11 LEU CA . 18824 1 86 . 1 1 8 8 LEU CB C 13 44.079 0.50 . 1 . . . A 11 LEU CB . 18824 1 87 . 1 1 8 8 LEU CG C 13 26.781 0.50 . 1 . . . A 11 LEU CG . 18824 1 88 . 1 1 8 8 LEU CD1 C 13 23.176 0.50 . 2 . . . A 11 LEU CD1 . 18824 1 89 . 1 1 8 8 LEU CD2 C 13 25.286 0.50 . 2 . . . A 11 LEU CD2 . 18824 1 90 . 1 1 9 9 PRO HA H 1 4.617 0.05 . 1 . . . A 12 PRO HA . 18824 1 91 . 1 1 9 9 PRO HB2 H 1 1.585 0.05 . 2 . . . A 12 PRO HB2 . 18824 1 92 . 1 1 9 9 PRO HB3 H 1 1.810 0.05 . 2 . . . A 12 PRO HB3 . 18824 1 93 . 1 1 9 9 PRO HG2 H 1 1.556 0.05 . 2 . . . A 12 PRO HG2 . 18824 1 94 . 1 1 9 9 PRO HG3 H 1 1.717 0.05 . 2 . . . A 12 PRO HG3 . 18824 1 95 . 1 1 9 9 PRO HD2 H 1 3.391 0.05 . 2 . . . A 12 PRO HD2 . 18824 1 96 . 1 1 9 9 PRO HD3 H 1 3.499 0.05 . 2 . . . A 12 PRO HD3 . 18824 1 97 . 1 1 9 9 PRO CA C 13 62.265 0.50 . 1 . . . A 12 PRO CA . 18824 1 98 . 1 1 9 9 PRO CB C 13 31.826 0.50 . 1 . . . A 12 PRO CB . 18824 1 99 . 1 1 9 9 PRO CG C 13 27.198 0.50 . 1 . . . A 12 PRO CG . 18824 1 100 . 1 1 9 9 PRO CD C 13 50.041 0.50 . 1 . . . A 12 PRO CD . 18824 1 101 . 1 1 10 10 ARG H H 1 8.484 0.05 . 1 . . . A 13 ARG H . 18824 1 102 . 1 1 10 10 ARG HA H 1 4.384 0.05 . 1 . . . A 13 ARG HA . 18824 1 103 . 1 1 10 10 ARG HB2 H 1 1.553 0.05 . 2 . . . A 13 ARG HB2 . 18824 1 104 . 1 1 10 10 ARG HB3 H 1 1.151 0.05 . 2 . . . A 13 ARG HB3 . 18824 1 105 . 1 1 10 10 ARG HG2 H 1 1.225 0.05 . 2 . . . A 13 ARG HG2 . 18824 1 106 . 1 1 10 10 ARG HG3 H 1 1.225 0.05 . 2 . . . A 13 ARG HG3 . 18824 1 107 . 1 1 10 10 ARG HD2 H 1 2.636 0.05 . 2 . . . A 13 ARG HD2 . 18824 1 108 . 1 1 10 10 ARG HD3 H 1 2.999 0.05 . 2 . . . A 13 ARG HD3 . 18824 1 109 . 1 1 10 10 ARG C C 13 173.498 0.50 . 1 . . . A 13 ARG C . 18824 1 110 . 1 1 10 10 ARG CA C 13 54.675 0.50 . 1 . . . A 13 ARG CA . 18824 1 111 . 1 1 10 10 ARG CB C 13 32.565 0.50 . 1 . . . A 13 ARG CB . 18824 1 112 . 1 1 10 10 ARG CG C 13 28.347 0.50 . 1 . . . A 13 ARG CG . 18824 1 113 . 1 1 10 10 ARG N N 15 118.005 0.10 . 1 . . . A 13 ARG N . 18824 1 114 . 1 1 11 11 LEU H H 1 8.520 0.05 . 1 . . . A 14 LEU H . 18824 1 115 . 1 1 11 11 LEU HA H 1 4.868 0.05 . 1 . . . A 14 LEU HA . 18824 1 116 . 1 1 11 11 LEU HB2 H 1 1.698 0.05 . 2 . . . A 14 LEU HB2 . 18824 1 117 . 1 1 11 11 LEU HB3 H 1 0.962 0.05 . 2 . . . A 14 LEU HB3 . 18824 1 118 . 1 1 11 11 LEU HG H 1 1.136 0.05 . 1 . . . A 14 LEU HG . 18824 1 119 . 1 1 11 11 LEU HD11 H 1 0.544 0.05 . 2 . . . A 14 LEU HD11 . 18824 1 120 . 1 1 11 11 LEU HD12 H 1 0.544 0.05 . 2 . . . A 14 LEU HD12 . 18824 1 121 . 1 1 11 11 LEU HD13 H 1 0.544 0.05 . 2 . . . A 14 LEU HD13 . 18824 1 122 . 1 1 11 11 LEU HD21 H 1 0.613 0.05 . 2 . . . A 14 LEU HD21 . 18824 1 123 . 1 1 11 11 LEU HD22 H 1 0.613 0.05 . 2 . . . A 14 LEU HD22 . 18824 1 124 . 1 1 11 11 LEU HD23 H 1 0.613 0.05 . 2 . . . A 14 LEU HD23 . 18824 1 125 . 1 1 11 11 LEU C C 13 176.144 0.50 . 1 . . . A 14 LEU C . 18824 1 126 . 1 1 11 11 LEU CA C 13 53.047 0.50 . 1 . . . A 14 LEU CA . 18824 1 127 . 1 1 11 11 LEU CB C 13 42.957 0.50 . 1 . . . A 14 LEU CB . 18824 1 128 . 1 1 11 11 LEU CG C 13 27.254 0.50 . 1 . . . A 14 LEU CG . 18824 1 129 . 1 1 11 11 LEU CD1 C 13 23.206 0.50 . 2 . . . A 14 LEU CD1 . 18824 1 130 . 1 1 11 11 LEU CD2 C 13 25.409 0.50 . 2 . . . A 14 LEU CD2 . 18824 1 131 . 1 1 11 11 LEU N N 15 124.897 0.10 . 1 . . . A 14 LEU N . 18824 1 132 . 1 1 12 12 CYS H H 1 9.247 0.05 . 1 . . . A 15 CYS H . 18824 1 133 . 1 1 12 12 CYS HA H 1 4.591 0.05 . 1 . . . A 15 CYS HA . 18824 1 134 . 1 1 12 12 CYS HB2 H 1 2.319 0.05 . 2 . . . A 15 CYS HB2 . 18824 1 135 . 1 1 12 12 CYS HB3 H 1 2.319 0.05 . 2 . . . A 15 CYS HB3 . 18824 1 136 . 1 1 12 12 CYS C C 13 173.408 0.50 . 1 . . . A 15 CYS C . 18824 1 137 . 1 1 12 12 CYS CA C 13 57.454 0.50 . 1 . . . A 15 CYS CA . 18824 1 138 . 1 1 12 12 CYS CB C 13 29.325 0.50 . 1 . . . A 15 CYS CB . 18824 1 139 . 1 1 12 12 CYS N N 15 127.167 0.10 . 1 . . . A 15 CYS N . 18824 1 140 . 1 1 13 13 CYS H H 1 9.049 0.05 . 1 . . . A 16 CYS H . 18824 1 141 . 1 1 13 13 CYS HA H 1 4.736 0.05 . 1 . . . A 16 CYS HA . 18824 1 142 . 1 1 13 13 CYS HB2 H 1 2.769 0.05 . 2 . . . A 16 CYS HB2 . 18824 1 143 . 1 1 13 13 CYS HB3 H 1 2.769 0.05 . 2 . . . A 16 CYS HB3 . 18824 1 144 . 1 1 13 13 CYS C C 13 172.784 0.50 . 1 . . . A 16 CYS C . 18824 1 145 . 1 1 13 13 CYS CA C 13 58.040 0.50 . 1 . . . A 16 CYS CA . 18824 1 146 . 1 1 13 13 CYS CB C 13 27.242 0.50 . 1 . . . A 16 CYS CB . 18824 1 147 . 1 1 13 13 CYS N N 15 125.133 0.10 . 1 . . . A 16 CYS N . 18824 1 148 . 1 1 14 14 LEU H H 1 8.750 0.05 . 1 . . . A 17 LEU H . 18824 1 149 . 1 1 14 14 LEU HA H 1 4.652 0.05 . 1 . . . A 17 LEU HA . 18824 1 150 . 1 1 14 14 LEU HB2 H 1 1.441 0.05 . 2 . . . A 17 LEU HB2 . 18824 1 151 . 1 1 14 14 LEU HB3 H 1 1.518 0.05 . 2 . . . A 17 LEU HB3 . 18824 1 152 . 1 1 14 14 LEU HG H 1 1.456 0.05 . 1 . . . A 17 LEU HG . 18824 1 153 . 1 1 14 14 LEU HD11 H 1 0.502 0.05 . 2 . . . A 17 LEU HD11 . 18824 1 154 . 1 1 14 14 LEU HD12 H 1 0.502 0.05 . 2 . . . A 17 LEU HD12 . 18824 1 155 . 1 1 14 14 LEU HD13 H 1 0.502 0.05 . 2 . . . A 17 LEU HD13 . 18824 1 156 . 1 1 14 14 LEU HD21 H 1 0.586 0.05 . 2 . . . A 17 LEU HD21 . 18824 1 157 . 1 1 14 14 LEU HD22 H 1 0.586 0.05 . 2 . . . A 17 LEU HD22 . 18824 1 158 . 1 1 14 14 LEU HD23 H 1 0.586 0.05 . 2 . . . A 17 LEU HD23 . 18824 1 159 . 1 1 14 14 LEU C C 13 175.672 0.50 . 1 . . . A 17 LEU C . 18824 1 160 . 1 1 14 14 LEU CA C 13 55.224 0.50 . 1 . . . A 17 LEU CA . 18824 1 161 . 1 1 14 14 LEU CB C 13 44.042 0.50 . 1 . . . A 17 LEU CB . 18824 1 162 . 1 1 14 14 LEU CG C 13 28.733 0.50 . 1 . . . A 17 LEU CG . 18824 1 163 . 1 1 14 14 LEU CD1 C 13 25.733 0.50 . 2 . . . A 17 LEU CD1 . 18824 1 164 . 1 1 14 14 LEU CD2 C 13 27.152 0.50 . 2 . . . A 17 LEU CD2 . 18824 1 165 . 1 1 14 14 LEU N N 15 124.624 0.10 . 1 . . . A 17 LEU N . 18824 1 166 . 1 1 15 15 GLU H H 1 8.304 0.05 . 1 . . . A 18 GLU H . 18824 1 167 . 1 1 15 15 GLU HA H 1 4.760 0.05 . 1 . . . A 18 GLU HA . 18824 1 168 . 1 1 15 15 GLU HB2 H 1 1.809 0.05 . 2 . . . A 18 GLU HB2 . 18824 1 169 . 1 1 15 15 GLU HB3 H 1 1.963 0.05 . 2 . . . A 18 GLU HB3 . 18824 1 170 . 1 1 15 15 GLU HG2 H 1 2.206 0.05 . 2 . . . A 18 GLU HG2 . 18824 1 171 . 1 1 15 15 GLU HG3 H 1 2.139 0.05 . 2 . . . A 18 GLU HG3 . 18824 1 172 . 1 1 15 15 GLU C C 13 175.548 0.50 . 1 . . . A 18 GLU C . 18824 1 173 . 1 1 15 15 GLU CA C 13 54.861 0.50 . 1 . . . A 18 GLU CA . 18824 1 174 . 1 1 15 15 GLU CB C 13 31.312 0.50 . 1 . . . A 18 GLU CB . 18824 1 175 . 1 1 15 15 GLU CG C 13 36.134 0.50 . 1 . . . A 18 GLU CG . 18824 1 176 . 1 1 15 15 GLU N N 15 121.610 0.10 . 1 . . . A 18 GLU N . 18824 1 177 . 1 1 16 16 LYS H H 1 8.131 0.05 . 1 . . . A 19 LYS H . 18824 1 178 . 1 1 16 16 LYS HA H 1 3.110 0.05 . 1 . . . A 19 LYS HA . 18824 1 179 . 1 1 16 16 LYS HB2 H 1 1.175 0.05 . 2 . . . A 19 LYS HB2 . 18824 1 180 . 1 1 16 16 LYS HB3 H 1 1.427 0.05 . 2 . . . A 19 LYS HB3 . 18824 1 181 . 1 1 16 16 LYS HG2 H 1 0.171 0.05 . 2 . . . A 19 LYS HG2 . 18824 1 182 . 1 1 16 16 LYS HG3 H 1 1.092 0.05 . 2 . . . A 19 LYS HG3 . 18824 1 183 . 1 1 16 16 LYS HD2 H 1 1.320 0.05 . 2 . . . A 19 LYS HD2 . 18824 1 184 . 1 1 16 16 LYS HD3 H 1 1.320 0.05 . 2 . . . A 19 LYS HD3 . 18824 1 185 . 1 1 16 16 LYS HE2 H 1 2.637 0.05 . 2 . . . A 19 LYS HE2 . 18824 1 186 . 1 1 16 16 LYS HE3 H 1 2.637 0.05 . 2 . . . A 19 LYS HE3 . 18824 1 187 . 1 1 16 16 LYS C C 13 176.635 0.50 . 1 . . . A 19 LYS C . 18824 1 188 . 1 1 16 16 LYS CA C 13 58.488 0.50 . 1 . . . A 19 LYS CA . 18824 1 189 . 1 1 16 16 LYS CB C 13 32.325 0.50 . 1 . . . A 19 LYS CB . 18824 1 190 . 1 1 16 16 LYS CG C 13 24.704 0.50 . 1 . . . A 19 LYS CG . 18824 1 191 . 1 1 16 16 LYS CD C 13 28.790 0.50 . 1 . . . A 19 LYS CD . 18824 1 192 . 1 1 16 16 LYS CE C 13 41.479 0.50 . 1 . . . A 19 LYS CE . 18824 1 193 . 1 1 16 16 LYS N N 15 123.922 0.10 . 1 . . . A 19 LYS N . 18824 1 194 . 1 1 17 17 GLY H H 1 6.955 0.05 . 1 . . . A 20 GLY H . 18824 1 195 . 1 1 17 17 GLY HA2 H 1 3.829 0.05 . 2 . . . A 20 GLY HA2 . 18824 1 196 . 1 1 17 17 GLY HA3 H 1 4.504 0.05 . 2 . . . A 20 GLY HA3 . 18824 1 197 . 1 1 17 17 GLY CA C 13 44.045 0.50 . 1 . . . A 20 GLY CA . 18824 1 198 . 1 1 17 17 GLY N N 15 112.282 0.10 . 1 . . . A 20 GLY N . 18824 1 199 . 1 1 18 18 PRO HA H 1 4.177 0.05 . 1 . . . A 21 PRO HA . 18824 1 200 . 1 1 18 18 PRO HB2 H 1 1.754 0.05 . 2 . . . A 21 PRO HB2 . 18824 1 201 . 1 1 18 18 PRO HB3 H 1 2.224 0.05 . 2 . . . A 21 PRO HB3 . 18824 1 202 . 1 1 18 18 PRO HG2 H 1 1.907 0.05 . 2 . . . A 21 PRO HG2 . 18824 1 203 . 1 1 18 18 PRO HG3 H 1 1.908 0.05 . 2 . . . A 21 PRO HG3 . 18824 1 204 . 1 1 18 18 PRO HD2 H 1 3.507 0.05 . 2 . . . A 21 PRO HD2 . 18824 1 205 . 1 1 18 18 PRO HD3 H 1 3.620 0.05 . 2 . . . A 21 PRO HD3 . 18824 1 206 . 1 1 18 18 PRO C C 13 177.081 0.50 . 1 . . . A 21 PRO C . 18824 1 207 . 1 1 18 18 PRO CA C 13 64.322 0.50 . 1 . . . A 21 PRO CA . 18824 1 208 . 1 1 18 18 PRO CB C 13 31.581 0.50 . 1 . . . A 21 PRO CB . 18824 1 209 . 1 1 18 18 PRO CG C 13 26.756 0.50 . 1 . . . A 21 PRO CG . 18824 1 210 . 1 1 18 18 PRO CD C 13 49.167 0.50 . 1 . . . A 21 PRO CD . 18824 1 211 . 1 1 19 19 ASN H H 1 8.462 0.05 . 1 . . . A 22 ASN H . 18824 1 212 . 1 1 19 19 ASN HA H 1 4.919 0.05 . 1 . . . A 22 ASN HA . 18824 1 213 . 1 1 19 19 ASN HB2 H 1 2.434 0.05 . 2 . . . A 22 ASN HB2 . 18824 1 214 . 1 1 19 19 ASN HB3 H 1 2.879 0.05 . 2 . . . A 22 ASN HB3 . 18824 1 215 . 1 1 19 19 ASN HD21 H 1 6.845 0.05 . 2 . . . A 22 ASN HD21 . 18824 1 216 . 1 1 19 19 ASN HD22 H 1 7.560 0.05 . 2 . . . A 22 ASN HD22 . 18824 1 217 . 1 1 19 19 ASN C C 13 175.102 0.50 . 1 . . . A 22 ASN C . 18824 1 218 . 1 1 19 19 ASN CA C 13 51.618 0.50 . 1 . . . A 22 ASN CA . 18824 1 219 . 1 1 19 19 ASN CB C 13 38.930 0.50 . 1 . . . A 22 ASN CB . 18824 1 220 . 1 1 19 19 ASN N N 15 114.637 0.10 . 1 . . . A 22 ASN N . 18824 1 221 . 1 1 19 19 ASN ND2 N 15 113.833 0.10 . 1 . . . A 22 ASN ND2 . 18824 1 222 . 1 1 20 20 GLY H H 1 7.499 0.05 . 1 . . . A 23 GLY H . 18824 1 223 . 1 1 20 20 GLY HA2 H 1 3.149 0.05 . 2 . . . A 23 GLY HA2 . 18824 1 224 . 1 1 20 20 GLY HA3 H 1 4.293 0.05 . 2 . . . A 23 GLY HA3 . 18824 1 225 . 1 1 20 20 GLY C C 13 174.932 0.50 . 1 . . . A 23 GLY C . 18824 1 226 . 1 1 20 20 GLY CA C 13 44.426 0.50 . 1 . . . A 23 GLY CA . 18824 1 227 . 1 1 20 20 GLY N N 15 107.193 0.10 . 1 . . . A 23 GLY N . 18824 1 228 . 1 1 21 21 TYR H H 1 8.894 0.05 . 1 . . . A 24 TYR H . 18824 1 229 . 1 1 21 21 TYR HA H 1 4.309 0.05 . 1 . . . A 24 TYR HA . 18824 1 230 . 1 1 21 21 TYR HB2 H 1 2.542 0.05 . 2 . . . A 24 TYR HB2 . 18824 1 231 . 1 1 21 21 TYR HB3 H 1 3.027 0.05 . 2 . . . A 24 TYR HB3 . 18824 1 232 . 1 1 21 21 TYR HD1 H 1 6.804 0.05 . 3 . . . A 24 TYR HD1 . 18824 1 233 . 1 1 21 21 TYR HD2 H 1 6.804 0.05 . 3 . . . A 24 TYR HD2 . 18824 1 234 . 1 1 21 21 TYR HE1 H 1 6.522 0.05 . 3 . . . A 24 TYR HE1 . 18824 1 235 . 1 1 21 21 TYR HE2 H 1 6.522 0.05 . 3 . . . A 24 TYR HE2 . 18824 1 236 . 1 1 21 21 TYR C C 13 177.188 0.50 . 1 . . . A 24 TYR C . 18824 1 237 . 1 1 21 21 TYR CA C 13 60.745 0.50 . 1 . . . A 24 TYR CA . 18824 1 238 . 1 1 21 21 TYR CB C 13 40.447 0.50 . 1 . . . A 24 TYR CB . 18824 1 239 . 1 1 21 21 TYR CD1 C 13 132.265 0.50 . 3 . . . A 24 TYR CD1 . 18824 1 240 . 1 1 21 21 TYR CD2 C 13 132.265 0.50 . 3 . . . A 24 TYR CD2 . 18824 1 241 . 1 1 21 21 TYR CE1 C 13 118.030 0.50 . 3 . . . A 24 TYR CE1 . 18824 1 242 . 1 1 21 21 TYR CE2 C 13 118.030 0.50 . 3 . . . A 24 TYR CE2 . 18824 1 243 . 1 1 21 21 TYR N N 15 119.910 0.10 . 1 . . . A 24 TYR N . 18824 1 244 . 1 1 22 22 GLY H H 1 8.394 0.05 . 1 . . . A 25 GLY H . 18824 1 245 . 1 1 22 22 GLY HA2 H 1 3.635 0.05 . 2 . . . A 25 GLY HA2 . 18824 1 246 . 1 1 22 22 GLY HA3 H 1 4.352 0.05 . 2 . . . A 25 GLY HA3 . 18824 1 247 . 1 1 22 22 GLY C C 13 173.020 0.50 . 1 . . . A 25 GLY C . 18824 1 248 . 1 1 22 22 GLY CA C 13 45.521 0.50 . 1 . . . A 25 GLY CA . 18824 1 249 . 1 1 22 22 GLY N N 15 104.016 0.10 . 1 . . . A 25 GLY N . 18824 1 250 . 1 1 23 23 PHE H H 1 6.711 0.05 . 1 . . . A 26 PHE H . 18824 1 251 . 1 1 23 23 PHE HA H 1 5.639 0.05 . 1 . . . A 26 PHE HA . 18824 1 252 . 1 1 23 23 PHE HB2 H 1 2.526 0.05 . 2 . . . A 26 PHE HB2 . 18824 1 253 . 1 1 23 23 PHE HB3 H 1 2.880 0.05 . 2 . . . A 26 PHE HB3 . 18824 1 254 . 1 1 23 23 PHE HD1 H 1 6.628 0.05 . 3 . . . A 26 PHE HD1 . 18824 1 255 . 1 1 23 23 PHE HD2 H 1 6.628 0.05 . 3 . . . A 26 PHE HD2 . 18824 1 256 . 1 1 23 23 PHE HE1 H 1 6.654 0.05 . 3 . . . A 26 PHE HE1 . 18824 1 257 . 1 1 23 23 PHE HE2 H 1 6.654 0.05 . 3 . . . A 26 PHE HE2 . 18824 1 258 . 1 1 23 23 PHE HZ H 1 6.744 0.05 . 1 . . . A 26 PHE HZ . 18824 1 259 . 1 1 23 23 PHE C C 13 172.250 0.50 . 1 . . . A 26 PHE C . 18824 1 260 . 1 1 23 23 PHE CA C 13 54.106 0.50 . 1 . . . A 26 PHE CA . 18824 1 261 . 1 1 23 23 PHE CB C 13 41.690 0.50 . 1 . . . A 26 PHE CB . 18824 1 262 . 1 1 23 23 PHE CD2 C 13 131.407 0.50 . 3 . . . A 26 PHE CD2 . 18824 1 263 . 1 1 23 23 PHE CE1 C 13 130.231 0.50 . 3 . . . A 26 PHE CE1 . 18824 1 264 . 1 1 23 23 PHE CE2 C 13 130.231 0.50 . 3 . . . A 26 PHE CE2 . 18824 1 265 . 1 1 23 23 PHE CZ C 13 129.244 0.50 . 1 . . . A 26 PHE CZ . 18824 1 266 . 1 1 23 23 PHE N N 15 110.891 0.10 . 1 . . . A 26 PHE N . 18824 1 267 . 1 1 24 24 HIS H H 1 7.964 0.05 . 1 . . . A 27 HIS H . 18824 1 268 . 1 1 24 24 HIS HA H 1 4.784 0.05 . 1 . . . A 27 HIS HA . 18824 1 269 . 1 1 24 24 HIS HB2 H 1 3.304 0.05 . 2 . . . A 27 HIS HB2 . 18824 1 270 . 1 1 24 24 HIS HB3 H 1 2.656 0.05 . 2 . . . A 27 HIS HB3 . 18824 1 271 . 1 1 24 24 HIS HD2 H 1 6.671 0.05 . 1 . . . A 27 HIS HD2 . 18824 1 272 . 1 1 24 24 HIS C C 13 174.659 0.50 . 1 . . . A 27 HIS C . 18824 1 273 . 1 1 24 24 HIS CA C 13 54.557 0.50 . 1 . . . A 27 HIS CA . 18824 1 274 . 1 1 24 24 HIS CB C 13 32.844 0.50 . 1 . . . A 27 HIS CB . 18824 1 275 . 1 1 24 24 HIS CD2 C 13 118.498 0.50 . 1 . . . A 27 HIS CD2 . 18824 1 276 . 1 1 24 24 HIS N N 15 118.261 0.10 . 1 . . . A 27 HIS N . 18824 1 277 . 1 1 25 25 LEU H H 1 9.554 0.05 . 1 . . . A 28 LEU H . 18824 1 278 . 1 1 25 25 LEU HA H 1 5.485 0.05 . 1 . . . A 28 LEU HA . 18824 1 279 . 1 1 25 25 LEU HB2 H 1 1.741 0.05 . 2 . . . A 28 LEU HB2 . 18824 1 280 . 1 1 25 25 LEU HB3 H 1 1.855 0.05 . 2 . . . A 28 LEU HB3 . 18824 1 281 . 1 1 25 25 LEU HG H 1 1.669 0.05 . 1 . . . A 28 LEU HG . 18824 1 282 . 1 1 25 25 LEU HD11 H 1 0.701 0.05 . 2 . . . A 28 LEU HD11 . 18824 1 283 . 1 1 25 25 LEU HD12 H 1 0.701 0.05 . 2 . . . A 28 LEU HD12 . 18824 1 284 . 1 1 25 25 LEU HD13 H 1 0.701 0.05 . 2 . . . A 28 LEU HD13 . 18824 1 285 . 1 1 25 25 LEU HD21 H 1 0.678 0.05 . 2 . . . A 28 LEU HD21 . 18824 1 286 . 1 1 25 25 LEU HD22 H 1 0.678 0.05 . 2 . . . A 28 LEU HD22 . 18824 1 287 . 1 1 25 25 LEU HD23 H 1 0.678 0.05 . 2 . . . A 28 LEU HD23 . 18824 1 288 . 1 1 25 25 LEU C C 13 176.849 0.50 . 1 . . . A 28 LEU C . 18824 1 289 . 1 1 25 25 LEU CA C 13 53.663 0.50 . 1 . . . A 28 LEU CA . 18824 1 290 . 1 1 25 25 LEU CB C 13 45.031 0.50 . 1 . . . A 28 LEU CB . 18824 1 291 . 1 1 25 25 LEU CG C 13 26.735 0.50 . 1 . . . A 28 LEU CG . 18824 1 292 . 1 1 25 25 LEU CD1 C 13 24.705 0.50 . 2 . . . A 28 LEU CD1 . 18824 1 293 . 1 1 25 25 LEU CD2 C 13 26.249 0.50 . 2 . . . A 28 LEU CD2 . 18824 1 294 . 1 1 25 25 LEU N N 15 125.694 0.10 . 1 . . . A 28 LEU N . 18824 1 295 . 1 1 26 26 HIS H H 1 9.625 0.05 . 1 . . . A 29 HIS H . 18824 1 296 . 1 1 26 26 HIS HA H 1 4.761 0.05 . 1 . . . A 29 HIS HA . 18824 1 297 . 1 1 26 26 HIS HB2 H 1 3.180 0.05 . 2 . . . A 29 HIS HB2 . 18824 1 298 . 1 1 26 26 HIS HB3 H 1 3.268 0.05 . 2 . . . A 29 HIS HB3 . 18824 1 299 . 1 1 26 26 HIS HD2 H 1 7.161 0.05 . 1 . . . A 29 HIS HD2 . 18824 1 300 . 1 1 26 26 HIS C C 13 173.447 0.50 . 1 . . . A 29 HIS C . 18824 1 301 . 1 1 26 26 HIS CA C 13 55.791 0.50 . 1 . . . A 29 HIS CA . 18824 1 302 . 1 1 26 26 HIS CB C 13 32.836 0.50 . 1 . . . A 29 HIS CB . 18824 1 303 . 1 1 26 26 HIS CD2 C 13 119.408 0.50 . 1 . . . A 29 HIS CD2 . 18824 1 304 . 1 1 26 26 HIS N N 15 119.263 0.10 . 1 . . . A 29 HIS N . 18824 1 305 . 1 1 27 27 GLY H H 1 8.403 0.05 . 1 . . . A 30 GLY H . 18824 1 306 . 1 1 27 27 GLY HA2 H 1 4.593 0.05 . 2 . . . A 30 GLY HA2 . 18824 1 307 . 1 1 27 27 GLY HA3 H 1 3.699 0.05 . 2 . . . A 30 GLY HA3 . 18824 1 308 . 1 1 27 27 GLY C C 13 172.917 0.50 . 1 . . . A 30 GLY C . 18824 1 309 . 1 1 27 27 GLY CA C 13 43.983 0.50 . 1 . . . A 30 GLY CA . 18824 1 310 . 1 1 27 27 GLY N N 15 110.254 0.10 . 1 . . . A 30 GLY N . 18824 1 311 . 1 1 28 28 GLU H H 1 9.060 0.05 . 1 . . . A 31 GLU H . 18824 1 312 . 1 1 28 28 GLU HA H 1 4.283 0.05 . 1 . . . A 31 GLU HA . 18824 1 313 . 1 1 28 28 GLU HB2 H 1 1.062 0.05 . 2 . . . A 31 GLU HB2 . 18824 1 314 . 1 1 28 28 GLU HB3 H 1 1.502 0.05 . 2 . . . A 31 GLU HB3 . 18824 1 315 . 1 1 28 28 GLU HG2 H 1 1.517 0.05 . 2 . . . A 31 GLU HG2 . 18824 1 316 . 1 1 28 28 GLU HG3 H 1 1.642 0.05 . 2 . . . A 31 GLU HG3 . 18824 1 317 . 1 1 28 28 GLU C C 13 175.939 0.50 . 1 . . . A 31 GLU C . 18824 1 318 . 1 1 28 28 GLU CA C 13 54.431 0.50 . 1 . . . A 31 GLU CA . 18824 1 319 . 1 1 28 28 GLU CB C 13 32.343 0.50 . 1 . . . A 31 GLU CB . 18824 1 320 . 1 1 28 28 GLU CG C 13 34.824 0.50 . 1 . . . A 31 GLU CG . 18824 1 321 . 1 1 28 28 GLU N N 15 119.753 0.10 . 1 . . . A 31 GLU N . 18824 1 322 . 1 1 29 29 LYS H H 1 8.424 0.05 . 1 . . . A 32 LYS H . 18824 1 323 . 1 1 29 29 LYS HA H 1 3.914 0.05 . 1 . . . A 32 LYS HA . 18824 1 324 . 1 1 29 29 LYS HB2 H 1 1.645 0.05 . 2 . . . A 32 LYS HB2 . 18824 1 325 . 1 1 29 29 LYS HB3 H 1 1.645 0.05 . 2 . . . A 32 LYS HB3 . 18824 1 326 . 1 1 29 29 LYS HG2 H 1 1.348 0.05 . 2 . . . A 32 LYS HG2 . 18824 1 327 . 1 1 29 29 LYS HG3 H 1 1.249 0.05 . 2 . . . A 32 LYS HG3 . 18824 1 328 . 1 1 29 29 LYS HD3 H 1 1.567 0.05 . 2 . . . A 32 LYS HD3 . 18824 1 329 . 1 1 29 29 LYS HE2 H 1 2.842 0.05 . 2 . . . A 32 LYS HE2 . 18824 1 330 . 1 1 29 29 LYS HE3 H 1 2.842 0.05 . 2 . . . A 32 LYS HE3 . 18824 1 331 . 1 1 29 29 LYS C C 13 177.776 0.50 . 1 . . . A 32 LYS C . 18824 1 332 . 1 1 29 29 LYS CA C 13 57.714 0.50 . 1 . . . A 32 LYS CA . 18824 1 333 . 1 1 29 29 LYS CB C 13 31.831 0.50 . 1 . . . A 32 LYS CB . 18824 1 334 . 1 1 29 29 LYS CG C 13 24.285 0.50 . 1 . . . A 32 LYS CG . 18824 1 335 . 1 1 29 29 LYS CD C 13 28.816 0.50 . 1 . . . A 32 LYS CD . 18824 1 336 . 1 1 29 29 LYS CE C 13 41.934 0.50 . 1 . . . A 32 LYS CE . 18824 1 337 . 1 1 29 29 LYS N N 15 124.046 0.10 . 1 . . . A 32 LYS N . 18824 1 338 . 1 1 30 30 GLY H H 1 8.856 0.05 . 1 . . . A 33 GLY H . 18824 1 339 . 1 1 30 30 GLY HA2 H 1 3.635 0.05 . 2 . . . A 33 GLY HA2 . 18824 1 340 . 1 1 30 30 GLY HA3 H 1 3.979 0.05 . 2 . . . A 33 GLY HA3 . 18824 1 341 . 1 1 30 30 GLY C C 13 173.408 0.50 . 1 . . . A 33 GLY C . 18824 1 342 . 1 1 30 30 GLY CA C 13 45.033 0.50 . 1 . . . A 33 GLY CA . 18824 1 343 . 1 1 30 30 GLY N N 15 113.177 0.10 . 1 . . . A 33 GLY N . 18824 1 344 . 1 1 31 31 LYS H H 1 7.790 0.05 . 1 . . . A 34 LYS H . 18824 1 345 . 1 1 31 31 LYS HA H 1 4.640 0.05 . 1 . . . A 34 LYS HA . 18824 1 346 . 1 1 31 31 LYS HB2 H 1 1.532 0.05 . 2 . . . A 34 LYS HB2 . 18824 1 347 . 1 1 31 31 LYS HB3 H 1 1.922 0.05 . 2 . . . A 34 LYS HB3 . 18824 1 348 . 1 1 31 31 LYS HG2 H 1 1.124 0.05 . 2 . . . A 34 LYS HG2 . 18824 1 349 . 1 1 31 31 LYS HG3 H 1 1.252 0.05 . 2 . . . A 34 LYS HG3 . 18824 1 350 . 1 1 31 31 LYS HD2 H 1 1.459 0.05 . 2 . . . A 34 LYS HD2 . 18824 1 351 . 1 1 31 31 LYS HD3 H 1 1.459 0.05 . 2 . . . A 34 LYS HD3 . 18824 1 352 . 1 1 31 31 LYS HE2 H 1 2.728 0.05 . 2 . . . A 34 LYS HE2 . 18824 1 353 . 1 1 31 31 LYS HE3 H 1 2.728 0.05 . 2 . . . A 34 LYS HE3 . 18824 1 354 . 1 1 31 31 LYS C C 13 176.528 0.50 . 1 . . . A 34 LYS C . 18824 1 355 . 1 1 31 31 LYS CA C 13 54.557 0.50 . 1 . . . A 34 LYS CA . 18824 1 356 . 1 1 31 31 LYS CB C 13 34.863 0.50 . 1 . . . A 34 LYS CB . 18824 1 357 . 1 1 31 31 LYS CG C 13 24.228 0.50 . 1 . . . A 34 LYS CG . 18824 1 358 . 1 1 31 31 LYS CD C 13 28.288 0.50 . 1 . . . A 34 LYS CD . 18824 1 359 . 1 1 31 31 LYS CE C 13 41.969 0.50 . 1 . . . A 34 LYS CE . 18824 1 360 . 1 1 31 31 LYS N N 15 118.719 0.10 . 1 . . . A 34 LYS N . 18824 1 361 . 1 1 32 32 LEU H H 1 8.759 0.05 . 1 . . . A 35 LEU H . 18824 1 362 . 1 1 32 32 LEU HA H 1 4.485 0.05 . 1 . . . A 35 LEU HA . 18824 1 363 . 1 1 32 32 LEU HB2 H 1 1.503 0.05 . 2 . . . A 35 LEU HB2 . 18824 1 364 . 1 1 32 32 LEU HB3 H 1 1.606 0.05 . 2 . . . A 35 LEU HB3 . 18824 1 365 . 1 1 32 32 LEU HG H 1 1.572 0.05 . 1 . . . A 35 LEU HG . 18824 1 366 . 1 1 32 32 LEU HD11 H 1 0.747 0.05 . 2 . . . A 35 LEU HD11 . 18824 1 367 . 1 1 32 32 LEU HD12 H 1 0.747 0.05 . 2 . . . A 35 LEU HD12 . 18824 1 368 . 1 1 32 32 LEU HD13 H 1 0.747 0.05 . 2 . . . A 35 LEU HD13 . 18824 1 369 . 1 1 32 32 LEU HD21 H 1 0.812 0.05 . 2 . . . A 35 LEU HD21 . 18824 1 370 . 1 1 32 32 LEU HD22 H 1 0.812 0.05 . 2 . . . A 35 LEU HD22 . 18824 1 371 . 1 1 32 32 LEU HD23 H 1 0.812 0.05 . 2 . . . A 35 LEU HD23 . 18824 1 372 . 1 1 32 32 LEU C C 13 177.646 0.50 . 1 . . . A 35 LEU C . 18824 1 373 . 1 1 32 32 LEU CA C 13 54.662 0.50 . 1 . . . A 35 LEU CA . 18824 1 374 . 1 1 32 32 LEU CB C 13 42.676 0.50 . 1 . . . A 35 LEU CB . 18824 1 375 . 1 1 32 32 LEU CG C 13 26.757 0.50 . 1 . . . A 35 LEU CG . 18824 1 376 . 1 1 32 32 LEU CD1 C 13 23.207 0.50 . 2 . . . A 35 LEU CD1 . 18824 1 377 . 1 1 32 32 LEU CD2 C 13 24.660 0.50 . 2 . . . A 35 LEU CD2 . 18824 1 378 . 1 1 32 32 LEU N N 15 124.084 0.10 . 1 . . . A 35 LEU N . 18824 1 379 . 1 1 33 33 GLY H H 1 8.533 0.05 . 1 . . . A 36 GLY H . 18824 1 380 . 1 1 33 33 GLY HA2 H 1 3.911 0.05 . 2 . . . A 36 GLY HA2 . 18824 1 381 . 1 1 33 33 GLY HA3 H 1 4.229 0.05 . 2 . . . A 36 GLY HA3 . 18824 1 382 . 1 1 33 33 GLY C C 13 173.070 0.50 . 1 . . . A 36 GLY C . 18824 1 383 . 1 1 33 33 GLY CA C 13 44.526 0.50 . 1 . . . A 36 GLY CA . 18824 1 384 . 1 1 33 33 GLY N N 15 110.962 0.10 . 1 . . . A 36 GLY N . 18824 1 385 . 1 1 34 34 GLN H H 1 8.885 0.05 . 1 . . . A 37 GLN H . 18824 1 386 . 1 1 34 34 GLN HA H 1 4.489 0.05 . 1 . . . A 37 GLN HA . 18824 1 387 . 1 1 34 34 GLN HB2 H 1 1.759 0.05 . 2 . . . A 37 GLN HB2 . 18824 1 388 . 1 1 34 34 GLN HB3 H 1 1.959 0.05 . 2 . . . A 37 GLN HB3 . 18824 1 389 . 1 1 34 34 GLN HG2 H 1 1.758 0.05 . 2 . . . A 37 GLN HG2 . 18824 1 390 . 1 1 34 34 GLN HG3 H 1 2.342 0.05 . 2 . . . A 37 GLN HG3 . 18824 1 391 . 1 1 34 34 GLN HE21 H 1 6.851 0.05 . 2 . . . A 37 GLN HE21 . 18824 1 392 . 1 1 34 34 GLN HE22 H 1 8.099 0.05 . 2 . . . A 37 GLN HE22 . 18824 1 393 . 1 1 34 34 GLN C C 13 173.925 0.50 . 1 . . . A 37 GLN C . 18824 1 394 . 1 1 34 34 GLN CA C 13 53.806 0.50 . 1 . . . A 37 GLN CA . 18824 1 395 . 1 1 34 34 GLN CB C 13 31.843 0.50 . 1 . . . A 37 GLN CB . 18824 1 396 . 1 1 34 34 GLN CG C 13 34.116 0.50 . 1 . . . A 37 GLN CG . 18824 1 397 . 1 1 34 34 GLN N N 15 117.136 0.10 . 1 . . . A 37 GLN N . 18824 1 398 . 1 1 34 34 GLN NE2 N 15 117.592 0.10 . 1 . . . A 37 GLN NE2 . 18824 1 399 . 1 1 35 35 TYR H H 1 8.719 0.05 . 1 . . . A 38 TYR H . 18824 1 400 . 1 1 35 35 TYR HA H 1 5.195 0.05 . 1 . . . A 38 TYR HA . 18824 1 401 . 1 1 35 35 TYR HB2 H 1 2.624 0.05 . 2 . . . A 38 TYR HB2 . 18824 1 402 . 1 1 35 35 TYR HB3 H 1 2.615 0.05 . 2 . . . A 38 TYR HB3 . 18824 1 403 . 1 1 35 35 TYR HD1 H 1 6.878 0.05 . 3 . . . A 38 TYR HD1 . 18824 1 404 . 1 1 35 35 TYR HD2 H 1 6.878 0.05 . 3 . . . A 38 TYR HD2 . 18824 1 405 . 1 1 35 35 TYR HE1 H 1 6.555 0.05 . 3 . . . A 38 TYR HE1 . 18824 1 406 . 1 1 35 35 TYR HE2 H 1 6.555 0.05 . 3 . . . A 38 TYR HE2 . 18824 1 407 . 1 1 35 35 TYR C C 13 176.110 0.50 . 1 . . . A 38 TYR C . 18824 1 408 . 1 1 35 35 TYR CA C 13 55.230 0.50 . 1 . . . A 38 TYR CA . 18824 1 409 . 1 1 35 35 TYR CB C 13 41.982 0.50 . 1 . . . A 38 TYR CB . 18824 1 410 . 1 1 35 35 TYR CD1 C 13 133.249 0.50 . 3 . . . A 38 TYR CD1 . 18824 1 411 . 1 1 35 35 TYR CD2 C 13 133.249 0.50 . 3 . . . A 38 TYR CD2 . 18824 1 412 . 1 1 35 35 TYR CE1 C 13 117.911 0.50 . 3 . . . A 38 TYR CE1 . 18824 1 413 . 1 1 35 35 TYR CE2 C 13 117.911 0.50 . 3 . . . A 38 TYR CE2 . 18824 1 414 . 1 1 35 35 TYR N N 15 119.053 0.10 . 1 . . . A 38 TYR N . 18824 1 415 . 1 1 36 36 ILE H H 1 9.208 0.05 . 1 . . . A 39 ILE H . 18824 1 416 . 1 1 36 36 ILE HA H 1 4.250 0.05 . 1 . . . A 39 ILE HA . 18824 1 417 . 1 1 36 36 ILE HB H 1 2.239 0.05 . 1 . . . A 39 ILE HB . 18824 1 418 . 1 1 36 36 ILE HG12 H 1 1.139 0.05 . 2 . . . A 39 ILE HG12 . 18824 1 419 . 1 1 36 36 ILE HG13 H 1 1.237 0.05 . 2 . . . A 39 ILE HG13 . 18824 1 420 . 1 1 36 36 ILE HG21 H 1 0.613 0.05 . 1 . . . A 39 ILE HG21 . 18824 1 421 . 1 1 36 36 ILE HG22 H 1 0.613 0.05 . 1 . . . A 39 ILE HG22 . 18824 1 422 . 1 1 36 36 ILE HG23 H 1 0.613 0.05 . 1 . . . A 39 ILE HG23 . 18824 1 423 . 1 1 36 36 ILE HD11 H 1 0.398 0.05 . 1 . . . A 39 ILE HD11 . 18824 1 424 . 1 1 36 36 ILE HD12 H 1 0.398 0.05 . 1 . . . A 39 ILE HD12 . 18824 1 425 . 1 1 36 36 ILE HD13 H 1 0.398 0.05 . 1 . . . A 39 ILE HD13 . 18824 1 426 . 1 1 36 36 ILE C C 13 175.797 0.50 . 1 . . . A 39 ILE C . 18824 1 427 . 1 1 36 36 ILE CA C 13 60.231 0.50 . 1 . . . A 39 ILE CA . 18824 1 428 . 1 1 36 36 ILE CB C 13 35.394 0.50 . 1 . . . A 39 ILE CB . 18824 1 429 . 1 1 36 36 ILE CG1 C 13 27.750 0.50 . 1 . . . A 39 ILE CG1 . 18824 1 430 . 1 1 36 36 ILE CG2 C 13 19.157 0.50 . 1 . . . A 39 ILE CG2 . 18824 1 431 . 1 1 36 36 ILE CD1 C 13 12.034 0.50 . 1 . . . A 39 ILE CD1 . 18824 1 432 . 1 1 36 36 ILE N N 15 120.624 0.10 . 1 . . . A 39 ILE N . 18824 1 433 . 1 1 37 37 ARG H H 1 9.240 0.05 . 1 . . . A 40 ARG H . 18824 1 434 . 1 1 37 37 ARG HA H 1 4.087 0.05 . 1 . . . A 40 ARG HA . 18824 1 435 . 1 1 37 37 ARG HB2 H 1 1.182 0.05 . 2 . . . A 40 ARG HB2 . 18824 1 436 . 1 1 37 37 ARG HB3 H 1 1.311 0.05 . 2 . . . A 40 ARG HB3 . 18824 1 437 . 1 1 37 37 ARG HG2 H 1 1.119 0.05 . 2 . . . A 40 ARG HG2 . 18824 1 438 . 1 1 37 37 ARG HG3 H 1 1.286 0.05 . 2 . . . A 40 ARG HG3 . 18824 1 439 . 1 1 37 37 ARG HD2 H 1 2.702 0.05 . 2 . . . A 40 ARG HD2 . 18824 1 440 . 1 1 37 37 ARG HD3 H 1 2.974 0.05 . 2 . . . A 40 ARG HD3 . 18824 1 441 . 1 1 37 37 ARG HE H 1 7.426 0.05 . 1 . . . A 40 ARG HE . 18824 1 442 . 1 1 37 37 ARG HH11 H 1 6.299 0.05 . 2 . . . A 40 ARG HH11 . 18824 1 443 . 1 1 37 37 ARG HH12 H 1 6.299 0.05 . 2 . . . A 40 ARG HH12 . 18824 1 444 . 1 1 37 37 ARG HH21 H 1 6.591 0.05 . 2 . . . A 40 ARG HH21 . 18824 1 445 . 1 1 37 37 ARG HH22 H 1 6.591 0.05 . 2 . . . A 40 ARG HH22 . 18824 1 446 . 1 1 37 37 ARG C C 13 174.846 0.50 . 1 . . . A 40 ARG C . 18824 1 447 . 1 1 37 37 ARG CA C 13 56.610 0.50 . 1 . . . A 40 ARG CA . 18824 1 448 . 1 1 37 37 ARG CB C 13 31.315 0.50 . 1 . . . A 40 ARG CB . 18824 1 449 . 1 1 37 37 ARG CG C 13 26.755 0.50 . 1 . . . A 40 ARG CG . 18824 1 450 . 1 1 37 37 ARG CD C 13 42.458 0.50 . 1 . . . A 40 ARG CD . 18824 1 451 . 1 1 37 37 ARG N N 15 130.372 0.10 . 1 . . . A 40 ARG N . 18824 1 452 . 1 1 37 37 ARG NE N 15 82.019 0.10 . 1 . . . A 40 ARG NE . 18824 1 453 . 1 1 38 38 LEU H H 1 7.130 0.05 . 1 . . . A 41 LEU H . 18824 1 454 . 1 1 38 38 LEU HA H 1 4.358 0.05 . 1 . . . A 41 LEU HA . 18824 1 455 . 1 1 38 38 LEU HB2 H 1 1.253 0.05 . 2 . . . A 41 LEU HB2 . 18824 1 456 . 1 1 38 38 LEU HB3 H 1 1.424 0.05 . 2 . . . A 41 LEU HB3 . 18824 1 457 . 1 1 38 38 LEU HG H 1 1.248 0.05 . 1 . . . A 41 LEU HG . 18824 1 458 . 1 1 38 38 LEU HD11 H 1 0.577 0.05 . 2 . . . A 41 LEU HD11 . 18824 1 459 . 1 1 38 38 LEU HD12 H 1 0.577 0.05 . 2 . . . A 41 LEU HD12 . 18824 1 460 . 1 1 38 38 LEU HD13 H 1 0.577 0.05 . 2 . . . A 41 LEU HD13 . 18824 1 461 . 1 1 38 38 LEU HD21 H 1 0.748 0.05 . 2 . . . A 41 LEU HD21 . 18824 1 462 . 1 1 38 38 LEU HD22 H 1 0.748 0.05 . 2 . . . A 41 LEU HD22 . 18824 1 463 . 1 1 38 38 LEU HD23 H 1 0.748 0.05 . 2 . . . A 41 LEU HD23 . 18824 1 464 . 1 1 38 38 LEU C C 13 173.658 0.50 . 1 . . . A 41 LEU C . 18824 1 465 . 1 1 38 38 LEU CA C 13 54.685 0.50 . 1 . . . A 41 LEU CA . 18824 1 466 . 1 1 38 38 LEU CB C 13 45.215 0.50 . 1 . . . A 41 LEU CB . 18824 1 467 . 1 1 38 38 LEU CG C 13 27.225 0.50 . 1 . . . A 41 LEU CG . 18824 1 468 . 1 1 38 38 LEU CD1 C 13 24.965 0.50 . 2 . . . A 41 LEU CD1 . 18824 1 469 . 1 1 38 38 LEU CD2 C 13 23.694 0.50 . 2 . . . A 41 LEU CD2 . 18824 1 470 . 1 1 38 38 LEU N N 15 116.642 0.10 . 1 . . . A 41 LEU N . 18824 1 471 . 1 1 39 39 VAL H H 1 8.731 0.05 . 1 . . . A 42 VAL H . 18824 1 472 . 1 1 39 39 VAL HA H 1 4.355 0.05 . 1 . . . A 42 VAL HA . 18824 1 473 . 1 1 39 39 VAL HB H 1 1.805 0.05 . 1 . . . A 42 VAL HB . 18824 1 474 . 1 1 39 39 VAL HG11 H 1 0.525 0.05 . 2 . . . A 42 VAL HG11 . 18824 1 475 . 1 1 39 39 VAL HG12 H 1 0.525 0.05 . 2 . . . A 42 VAL HG12 . 18824 1 476 . 1 1 39 39 VAL HG13 H 1 0.525 0.05 . 2 . . . A 42 VAL HG13 . 18824 1 477 . 1 1 39 39 VAL HG21 H 1 0.628 0.05 . 2 . . . A 42 VAL HG21 . 18824 1 478 . 1 1 39 39 VAL HG22 H 1 0.628 0.05 . 2 . . . A 42 VAL HG22 . 18824 1 479 . 1 1 39 39 VAL HG23 H 1 0.628 0.05 . 2 . . . A 42 VAL HG23 . 18824 1 480 . 1 1 39 39 VAL C C 13 175.548 0.50 . 1 . . . A 42 VAL C . 18824 1 481 . 1 1 39 39 VAL CA C 13 61.253 0.50 . 1 . . . A 42 VAL CA . 18824 1 482 . 1 1 39 39 VAL CB C 13 33.223 0.50 . 1 . . . A 42 VAL CB . 18824 1 483 . 1 1 39 39 VAL CG1 C 13 21.622 0.50 . 2 . . . A 42 VAL CG1 . 18824 1 484 . 1 1 39 39 VAL CG2 C 13 20.675 0.50 . 2 . . . A 42 VAL CG2 . 18824 1 485 . 1 1 39 39 VAL N N 15 125.934 0.10 . 1 . . . A 42 VAL N . 18824 1 486 . 1 1 40 40 GLU H H 1 9.102 0.05 . 1 . . . A 43 GLU H . 18824 1 487 . 1 1 40 40 GLU HA H 1 4.321 0.05 . 1 . . . A 43 GLU HA . 18824 1 488 . 1 1 40 40 GLU HB2 H 1 1.772 0.05 . 2 . . . A 43 GLU HB2 . 18824 1 489 . 1 1 40 40 GLU HB3 H 1 1.987 0.05 . 2 . . . A 43 GLU HB3 . 18824 1 490 . 1 1 40 40 GLU HG2 H 1 2.250 0.05 . 2 . . . A 43 GLU HG2 . 18824 1 491 . 1 1 40 40 GLU HG3 H 1 2.220 0.05 . 2 . . . A 43 GLU HG3 . 18824 1 492 . 1 1 40 40 GLU CA C 13 54.660 0.50 . 1 . . . A 43 GLU CA . 18824 1 493 . 1 1 40 40 GLU CB C 13 28.729 0.50 . 1 . . . A 43 GLU CB . 18824 1 494 . 1 1 40 40 GLU CG C 13 36.104 0.50 . 1 . . . A 43 GLU CG . 18824 1 495 . 1 1 40 40 GLU N N 15 128.285 0.10 . 1 . . . A 43 GLU N . 18824 1 496 . 1 1 41 41 PRO HA H 1 4.440 0.05 . 1 . . . A 44 PRO HA . 18824 1 497 . 1 1 41 41 PRO HB2 H 1 1.829 0.05 . 2 . . . A 44 PRO HB2 . 18824 1 498 . 1 1 41 41 PRO HB3 H 1 2.285 0.05 . 2 . . . A 44 PRO HB3 . 18824 1 499 . 1 1 41 41 PRO HG2 H 1 1.959 0.05 . 2 . . . A 44 PRO HG2 . 18824 1 500 . 1 1 41 41 PRO HG3 H 1 2.074 0.05 . 2 . . . A 44 PRO HG3 . 18824 1 501 . 1 1 41 41 PRO HD2 H 1 3.942 0.05 . 2 . . . A 44 PRO HD2 . 18824 1 502 . 1 1 41 41 PRO HD3 H 1 3.652 0.05 . 2 . . . A 44 PRO HD3 . 18824 1 503 . 1 1 41 41 PRO C C 13 178.222 0.50 . 1 . . . A 44 PRO C . 18824 1 504 . 1 1 41 41 PRO CA C 13 63.298 0.50 . 1 . . . A 44 PRO CA . 18824 1 505 . 1 1 41 41 PRO CB C 13 31.388 0.50 . 1 . . . A 44 PRO CB . 18824 1 506 . 1 1 41 41 PRO CG C 13 27.271 0.50 . 1 . . . A 44 PRO CG . 18824 1 507 . 1 1 41 41 PRO CD C 13 50.625 0.50 . 1 . . . A 44 PRO CD . 18824 1 508 . 1 1 42 42 GLY H H 1 9.416 0.05 . 1 . . . A 45 GLY H . 18824 1 509 . 1 1 42 42 GLY HA2 H 1 3.658 0.05 . 2 . . . A 45 GLY HA2 . 18824 1 510 . 1 1 42 42 GLY HA3 H 1 4.007 0.05 . 2 . . . A 45 GLY HA3 . 18824 1 511 . 1 1 42 42 GLY C C 13 173.515 0.50 . 1 . . . A 45 GLY C . 18824 1 512 . 1 1 42 42 GLY CA C 13 45.525 0.50 . 1 . . . A 45 GLY CA . 18824 1 513 . 1 1 42 42 GLY N N 15 113.166 0.10 . 1 . . . A 45 GLY N . 18824 1 514 . 1 1 43 43 SER H H 1 7.422 0.05 . 1 . . . A 46 SER H . 18824 1 515 . 1 1 43 43 SER HA H 1 4.670 0.05 . 1 . . . A 46 SER HA . 18824 1 516 . 1 1 43 43 SER HB2 H 1 3.807 0.05 . 2 . . . A 46 SER HB2 . 18824 1 517 . 1 1 43 43 SER HB3 H 1 4.355 0.05 . 2 . . . A 46 SER HB3 . 18824 1 518 . 1 1 43 43 SER HG H 1 6.480 0.05 . 1 . . . A 46 SER HG . 18824 1 519 . 1 1 43 43 SER CA C 13 57.103 0.50 . 1 . . . A 46 SER CA . 18824 1 520 . 1 1 43 43 SER CB C 13 64.458 0.50 . 1 . . . A 46 SER CB . 18824 1 521 . 1 1 43 43 SER N N 15 114.219 0.10 . 1 . . . A 46 SER N . 18824 1 522 . 1 1 44 44 PRO HA H 1 4.287 0.05 . 1 . . . A 47 PRO HA . 18824 1 523 . 1 1 44 44 PRO HB2 H 1 2.155 0.05 . 2 . . . A 47 PRO HB2 . 18824 1 524 . 1 1 44 44 PRO HB3 H 1 2.875 0.05 . 2 . . . A 47 PRO HB3 . 18824 1 525 . 1 1 44 44 PRO HG2 H 1 2.098 0.05 . 2 . . . A 47 PRO HG2 . 18824 1 526 . 1 1 44 44 PRO HG3 H 1 2.373 0.05 . 2 . . . A 47 PRO HG3 . 18824 1 527 . 1 1 44 44 PRO HD2 H 1 3.627 0.05 . 2 . . . A 47 PRO HD2 . 18824 1 528 . 1 1 44 44 PRO HD3 H 1 3.930 0.05 . 2 . . . A 47 PRO HD3 . 18824 1 529 . 1 1 44 44 PRO C C 13 179.487 0.50 . 1 . . . A 47 PRO C . 18824 1 530 . 1 1 44 44 PRO CA C 13 65.337 0.50 . 1 . . . A 47 PRO CA . 18824 1 531 . 1 1 44 44 PRO CB C 13 32.339 0.50 . 1 . . . A 47 PRO CB . 18824 1 532 . 1 1 44 44 PRO CG C 13 28.720 0.50 . 1 . . . A 47 PRO CG . 18824 1 533 . 1 1 44 44 PRO CD C 13 50.599 0.50 . 1 . . . A 47 PRO CD . 18824 1 534 . 1 1 45 45 ALA H H 1 7.855 0.05 . 1 . . . A 48 ALA H . 18824 1 535 . 1 1 45 45 ALA HA H 1 3.808 0.05 . 1 . . . A 48 ALA HA . 18824 1 536 . 1 1 45 45 ALA HB1 H 1 1.441 0.05 . 1 . . . A 48 ALA HB1 . 18824 1 537 . 1 1 45 45 ALA HB2 H 1 1.441 0.05 . 1 . . . A 48 ALA HB2 . 18824 1 538 . 1 1 45 45 ALA HB3 H 1 1.441 0.05 . 1 . . . A 48 ALA HB3 . 18824 1 539 . 1 1 45 45 ALA C C 13 177.063 0.50 . 1 . . . A 48 ALA C . 18824 1 540 . 1 1 45 45 ALA CA C 13 55.110 0.50 . 1 . . . A 48 ALA CA . 18824 1 541 . 1 1 45 45 ALA CB C 13 20.174 0.50 . 1 . . . A 48 ALA CB . 18824 1 542 . 1 1 45 45 ALA N N 15 116.941 0.10 . 1 . . . A 48 ALA N . 18824 1 543 . 1 1 46 46 GLU H H 1 7.732 0.05 . 1 . . . A 49 GLU H . 18824 1 544 . 1 1 46 46 GLU HA H 1 3.854 0.05 . 1 . . . A 49 GLU HA . 18824 1 545 . 1 1 46 46 GLU HB2 H 1 2.216 0.05 . 2 . . . A 49 GLU HB2 . 18824 1 546 . 1 1 46 46 GLU HB3 H 1 2.007 0.05 . 2 . . . A 49 GLU HB3 . 18824 1 547 . 1 1 46 46 GLU HG2 H 1 2.057 0.05 . 2 . . . A 49 GLU HG2 . 18824 1 548 . 1 1 46 46 GLU HG3 H 1 2.171 0.05 . 2 . . . A 49 GLU HG3 . 18824 1 549 . 1 1 46 46 GLU C C 13 181.038 0.50 . 1 . . . A 49 GLU C . 18824 1 550 . 1 1 46 46 GLU CA C 13 59.181 0.50 . 1 . . . A 49 GLU CA . 18824 1 551 . 1 1 46 46 GLU CB C 13 29.670 0.50 . 1 . . . A 49 GLU CB . 18824 1 552 . 1 1 46 46 GLU CG C 13 36.895 0.50 . 1 . . . A 49 GLU CG . 18824 1 553 . 1 1 46 46 GLU N N 15 120.064 0.10 . 1 . . . A 49 GLU N . 18824 1 554 . 1 1 47 47 LYS H H 1 8.156 0.05 . 1 . . . A 50 LYS H . 18824 1 555 . 1 1 47 47 LYS HA H 1 3.924 0.05 . 1 . . . A 50 LYS HA . 18824 1 556 . 1 1 47 47 LYS HB2 H 1 1.829 0.05 . 2 . . . A 50 LYS HB2 . 18824 1 557 . 1 1 47 47 LYS HG2 H 1 1.387 0.05 . 2 . . . A 50 LYS HG2 . 18824 1 558 . 1 1 47 47 LYS HG3 H 1 1.455 0.05 . 2 . . . A 50 LYS HG3 . 18824 1 559 . 1 1 47 47 LYS HD2 H 1 1.568 0.05 . 2 . . . A 50 LYS HD2 . 18824 1 560 . 1 1 47 47 LYS HD3 H 1 1.568 0.05 . 2 . . . A 50 LYS HD3 . 18824 1 561 . 1 1 47 47 LYS HE2 H 1 2.838 0.05 . 2 . . . A 50 LYS HE2 . 18824 1 562 . 1 1 47 47 LYS HE3 H 1 2.838 0.05 . 2 . . . A 50 LYS HE3 . 18824 1 563 . 1 1 47 47 LYS C C 13 177.580 0.50 . 1 . . . A 50 LYS C . 18824 1 564 . 1 1 47 47 LYS CA C 13 58.780 0.50 . 1 . . . A 50 LYS CA . 18824 1 565 . 1 1 47 47 LYS CB C 13 31.804 0.50 . 1 . . . A 50 LYS CB . 18824 1 566 . 1 1 47 47 LYS CG C 13 25.181 0.50 . 1 . . . A 50 LYS CG . 18824 1 567 . 1 1 47 47 LYS CD C 13 28.812 0.50 . 1 . . . A 50 LYS CD . 18824 1 568 . 1 1 47 47 LYS CE C 13 41.965 0.50 . 1 . . . A 50 LYS CE . 18824 1 569 . 1 1 47 47 LYS N N 15 120.570 0.10 . 1 . . . A 50 LYS N . 18824 1 570 . 1 1 48 48 ALA H H 1 7.730 0.05 . 1 . . . A 51 ALA H . 18824 1 571 . 1 1 48 48 ALA HA H 1 4.308 0.05 . 1 . . . A 51 ALA HA . 18824 1 572 . 1 1 48 48 ALA HB1 H 1 1.312 0.05 . 1 . . . A 51 ALA HB1 . 18824 1 573 . 1 1 48 48 ALA HB2 H 1 1.312 0.05 . 1 . . . A 51 ALA HB2 . 18824 1 574 . 1 1 48 48 ALA HB3 H 1 1.312 0.05 . 1 . . . A 51 ALA HB3 . 18824 1 575 . 1 1 48 48 ALA C C 13 177.509 0.50 . 1 . . . A 51 ALA C . 18824 1 576 . 1 1 48 48 ALA CA C 13 52.118 0.50 . 1 . . . A 51 ALA CA . 18824 1 577 . 1 1 48 48 ALA CB C 13 20.195 0.50 . 1 . . . A 51 ALA CB . 18824 1 578 . 1 1 48 48 ALA N N 15 117.482 0.10 . 1 . . . A 51 ALA N . 18824 1 579 . 1 1 49 49 GLY H H 1 7.513 0.05 . 1 . . . A 52 GLY H . 18824 1 580 . 1 1 49 49 GLY HA2 H 1 3.659 0.05 . 2 . . . A 52 GLY HA2 . 18824 1 581 . 1 1 49 49 GLY HA3 H 1 4.141 0.05 . 2 . . . A 52 GLY HA3 . 18824 1 582 . 1 1 49 49 GLY C C 13 174.888 0.50 . 1 . . . A 52 GLY C . 18824 1 583 . 1 1 49 49 GLY CA C 13 45.023 0.50 . 1 . . . A 52 GLY CA . 18824 1 584 . 1 1 49 49 GLY N N 15 103.549 0.10 . 1 . . . A 52 GLY N . 18824 1 585 . 1 1 50 50 LEU H H 1 7.420 0.05 . 1 . . . A 53 LEU H . 18824 1 586 . 1 1 50 50 LEU HA H 1 3.856 0.05 . 1 . . . A 53 LEU HA . 18824 1 587 . 1 1 50 50 LEU HB2 H 1 0.994 0.05 . 2 . . . A 53 LEU HB2 . 18824 1 588 . 1 1 50 50 LEU HB3 H 1 1.282 0.05 . 2 . . . A 53 LEU HB3 . 18824 1 589 . 1 1 50 50 LEU HG H 1 1.357 0.05 . 1 . . . A 53 LEU HG . 18824 1 590 . 1 1 50 50 LEU HD11 H 1 0.371 0.05 . 2 . . . A 53 LEU HD11 . 18824 1 591 . 1 1 50 50 LEU HD12 H 1 0.371 0.05 . 2 . . . A 53 LEU HD12 . 18824 1 592 . 1 1 50 50 LEU HD13 H 1 0.371 0.05 . 2 . . . A 53 LEU HD13 . 18824 1 593 . 1 1 50 50 LEU HD21 H 1 0.424 0.05 . 2 . . . A 53 LEU HD21 . 18824 1 594 . 1 1 50 50 LEU HD22 H 1 0.424 0.05 . 2 . . . A 53 LEU HD22 . 18824 1 595 . 1 1 50 50 LEU HD23 H 1 0.424 0.05 . 2 . . . A 53 LEU HD23 . 18824 1 596 . 1 1 50 50 LEU C C 13 174.692 0.50 . 1 . . . A 53 LEU C . 18824 1 597 . 1 1 50 50 LEU CA C 13 55.190 0.50 . 1 . . . A 53 LEU CA . 18824 1 598 . 1 1 50 50 LEU CB C 13 42.994 0.50 . 1 . . . A 53 LEU CB . 18824 1 599 . 1 1 50 50 LEU CG C 13 26.689 0.50 . 1 . . . A 53 LEU CG . 18824 1 600 . 1 1 50 50 LEU CD1 C 13 25.732 0.50 . 2 . . . A 53 LEU CD1 . 18824 1 601 . 1 1 50 50 LEU CD2 C 13 25.145 0.50 . 2 . . . A 53 LEU CD2 . 18824 1 602 . 1 1 50 50 LEU N N 15 120.806 0.10 . 1 . . . A 53 LEU N . 18824 1 603 . 1 1 51 51 LEU H H 1 8.546 0.05 . 1 . . . A 54 LEU H . 18824 1 604 . 1 1 51 51 LEU HA H 1 4.505 0.05 . 1 . . . A 54 LEU HA . 18824 1 605 . 1 1 51 51 LEU HB2 H 1 1.173 0.05 . 2 . . . A 54 LEU HB2 . 18824 1 606 . 1 1 51 51 LEU HB3 H 1 1.645 0.05 . 2 . . . A 54 LEU HB3 . 18824 1 607 . 1 1 51 51 LEU HG H 1 1.393 0.05 . 1 . . . A 54 LEU HG . 18824 1 608 . 1 1 51 51 LEU HD11 H 1 0.735 0.05 . 2 . . . A 54 LEU HD11 . 18824 1 609 . 1 1 51 51 LEU HD12 H 1 0.735 0.05 . 2 . . . A 54 LEU HD12 . 18824 1 610 . 1 1 51 51 LEU HD13 H 1 0.735 0.05 . 2 . . . A 54 LEU HD13 . 18824 1 611 . 1 1 51 51 LEU HD21 H 1 0.793 0.05 . 2 . . . A 54 LEU HD21 . 18824 1 612 . 1 1 51 51 LEU HD22 H 1 0.793 0.05 . 2 . . . A 54 LEU HD22 . 18824 1 613 . 1 1 51 51 LEU HD23 H 1 0.793 0.05 . 2 . . . A 54 LEU HD23 . 18824 1 614 . 1 1 51 51 LEU C C 13 176.350 0.50 . 1 . . . A 54 LEU C . 18824 1 615 . 1 1 51 51 LEU CA C 13 52.981 0.50 . 1 . . . A 54 LEU CA . 18824 1 616 . 1 1 51 51 LEU CB C 13 45.564 0.50 . 1 . . . A 54 LEU CB . 18824 1 617 . 1 1 51 51 LEU CG C 13 25.704 0.50 . 1 . . . A 54 LEU CG . 18824 1 618 . 1 1 51 51 LEU CD1 C 13 23.153 0.50 . 2 . . . A 54 LEU CD1 . 18824 1 619 . 1 1 51 51 LEU CD2 C 13 25.192 0.50 . 2 . . . A 54 LEU CD2 . 18824 1 620 . 1 1 51 51 LEU N N 15 122.726 0.10 . 1 . . . A 54 LEU N . 18824 1 621 . 1 1 52 52 ALA H H 1 8.551 0.05 . 1 . . . A 55 ALA H . 18824 1 622 . 1 1 52 52 ALA HA H 1 3.731 0.05 . 1 . . . A 55 ALA HA . 18824 1 623 . 1 1 52 52 ALA HB1 H 1 1.228 0.05 . 1 . . . A 55 ALA HB1 . 18824 1 624 . 1 1 52 52 ALA HB2 H 1 1.228 0.05 . 1 . . . A 55 ALA HB2 . 18824 1 625 . 1 1 52 52 ALA HB3 H 1 1.228 0.05 . 1 . . . A 55 ALA HB3 . 18824 1 626 . 1 1 52 52 ALA C C 13 179.077 0.50 . 1 . . . A 55 ALA C . 18824 1 627 . 1 1 52 52 ALA CA C 13 53.000 0.50 . 1 . . . A 55 ALA CA . 18824 1 628 . 1 1 52 52 ALA CB C 13 17.068 0.50 . 1 . . . A 55 ALA CB . 18824 1 629 . 1 1 52 52 ALA N N 15 122.735 0.10 . 1 . . . A 55 ALA N . 18824 1 630 . 1 1 53 53 GLY H H 1 9.450 0.05 . 1 . . . A 56 GLY H . 18824 1 631 . 1 1 53 53 GLY HA2 H 1 3.667 0.05 . 2 . . . A 56 GLY HA2 . 18824 1 632 . 1 1 53 53 GLY HA3 H 1 4.352 0.05 . 2 . . . A 56 GLY HA3 . 18824 1 633 . 1 1 53 53 GLY C C 13 174.638 0.50 . 1 . . . A 56 GLY C . 18824 1 634 . 1 1 53 53 GLY CA C 13 44.481 0.50 . 1 . . . A 56 GLY CA . 18824 1 635 . 1 1 53 53 GLY N N 15 112.553 0.10 . 1 . . . A 56 GLY N . 18824 1 636 . 1 1 54 54 ASP H H 1 7.948 0.05 . 1 . . . A 57 ASP H . 18824 1 637 . 1 1 54 54 ASP HA H 1 4.547 0.05 . 1 . . . A 57 ASP HA . 18824 1 638 . 1 1 54 54 ASP HB2 H 1 2.629 0.05 . 2 . . . A 57 ASP HB2 . 18824 1 639 . 1 1 54 54 ASP HB3 H 1 1.967 0.05 . 2 . . . A 57 ASP HB3 . 18824 1 640 . 1 1 54 54 ASP C C 13 174.539 0.50 . 1 . . . A 57 ASP C . 18824 1 641 . 1 1 54 54 ASP CA C 13 55.157 0.50 . 1 . . . A 57 ASP CA . 18824 1 642 . 1 1 54 54 ASP CB C 13 41.484 0.50 . 1 . . . A 57 ASP CB . 18824 1 643 . 1 1 54 54 ASP N N 15 121.912 0.10 . 1 . . . A 57 ASP N . 18824 1 644 . 1 1 55 55 ARG H H 1 8.570 0.05 . 1 . . . A 58 ARG H . 18824 1 645 . 1 1 55 55 ARG HA H 1 3.981 0.05 . 1 . . . A 58 ARG HA . 18824 1 646 . 1 1 55 55 ARG HB2 H 1 1.375 0.05 . 2 . . . A 58 ARG HB2 . 18824 1 647 . 1 1 55 55 ARG HB3 H 1 1.571 0.05 . 2 . . . A 58 ARG HB3 . 18824 1 648 . 1 1 55 55 ARG HG2 H 1 0.340 0.05 . 2 . . . A 58 ARG HG2 . 18824 1 649 . 1 1 55 55 ARG HG3 H 1 0.928 0.05 . 2 . . . A 58 ARG HG3 . 18824 1 650 . 1 1 55 55 ARG HD2 H 1 2.875 0.05 . 2 . . . A 58 ARG HD2 . 18824 1 651 . 1 1 55 55 ARG HD3 H 1 3.304 0.05 . 2 . . . A 58 ARG HD3 . 18824 1 652 . 1 1 55 55 ARG C C 13 175.512 0.50 . 1 . . . A 58 ARG C . 18824 1 653 . 1 1 55 55 ARG CA C 13 55.169 0.50 . 1 . . . A 58 ARG CA . 18824 1 654 . 1 1 55 55 ARG CB C 13 32.435 0.50 . 1 . . . A 58 ARG CB . 18824 1 655 . 1 1 55 55 ARG CG C 13 27.755 0.50 . 1 . . . A 58 ARG CG . 18824 1 656 . 1 1 55 55 ARG CD C 13 42.988 0.50 . 1 . . . A 58 ARG CD . 18824 1 657 . 1 1 55 55 ARG N N 15 122.512 0.10 . 1 . . . A 58 ARG N . 18824 1 658 . 1 1 56 56 LEU H H 1 7.917 0.05 . 1 . . . A 59 LEU H . 18824 1 659 . 1 1 56 56 LEU HA H 1 4.059 0.05 . 1 . . . A 59 LEU HA . 18824 1 660 . 1 1 56 56 LEU HB2 H 1 0.833 0.05 . 2 . . . A 59 LEU HB2 . 18824 1 661 . 1 1 56 56 LEU HB3 H 1 1.380 0.05 . 2 . . . A 59 LEU HB3 . 18824 1 662 . 1 1 56 56 LEU HG H 1 1.039 0.05 . 1 . . . A 59 LEU HG . 18824 1 663 . 1 1 56 56 LEU HD11 H 1 0.533 0.05 . 2 . . . A 59 LEU HD11 . 18824 1 664 . 1 1 56 56 LEU HD12 H 1 0.533 0.05 . 2 . . . A 59 LEU HD12 . 18824 1 665 . 1 1 56 56 LEU HD13 H 1 0.533 0.05 . 2 . . . A 59 LEU HD13 . 18824 1 666 . 1 1 56 56 LEU HD21 H 1 0.457 0.05 . 2 . . . A 59 LEU HD21 . 18824 1 667 . 1 1 56 56 LEU HD22 H 1 0.457 0.05 . 2 . . . A 59 LEU HD22 . 18824 1 668 . 1 1 56 56 LEU HD23 H 1 0.457 0.05 . 2 . . . A 59 LEU HD23 . 18824 1 669 . 1 1 56 56 LEU C C 13 174.420 0.50 . 1 . . . A 59 LEU C . 18824 1 670 . 1 1 56 56 LEU CA C 13 55.179 0.50 . 1 . . . A 59 LEU CA . 18824 1 671 . 1 1 56 56 LEU CB C 13 42.475 0.50 . 1 . . . A 59 LEU CB . 18824 1 672 . 1 1 56 56 LEU CG C 13 27.755 0.50 . 1 . . . A 59 LEU CG . 18824 1 673 . 1 1 56 56 LEU CD1 C 13 24.709 0.50 . 2 . . . A 59 LEU CD1 . 18824 1 674 . 1 1 56 56 LEU CD2 C 13 26.724 0.50 . 2 . . . A 59 LEU CD2 . 18824 1 675 . 1 1 56 56 LEU N N 15 126.506 0.10 . 1 . . . A 59 LEU N . 18824 1 676 . 1 1 57 57 VAL H H 1 8.781 0.05 . 1 . . . A 60 VAL H . 18824 1 677 . 1 1 57 57 VAL HA H 1 3.910 0.05 . 1 . . . A 60 VAL HA . 18824 1 678 . 1 1 57 57 VAL HB H 1 1.398 0.05 . 1 . . . A 60 VAL HB . 18824 1 679 . 1 1 57 57 VAL HG11 H 1 0.589 0.05 . 2 . . . A 60 VAL HG11 . 18824 1 680 . 1 1 57 57 VAL HG12 H 1 0.589 0.05 . 2 . . . A 60 VAL HG12 . 18824 1 681 . 1 1 57 57 VAL HG13 H 1 0.589 0.05 . 2 . . . A 60 VAL HG13 . 18824 1 682 . 1 1 57 57 VAL HG21 H 1 0.747 0.05 . 2 . . . A 60 VAL HG21 . 18824 1 683 . 1 1 57 57 VAL HG22 H 1 0.747 0.05 . 2 . . . A 60 VAL HG22 . 18824 1 684 . 1 1 57 57 VAL HG23 H 1 0.747 0.05 . 2 . . . A 60 VAL HG23 . 18824 1 685 . 1 1 57 57 VAL CA C 13 63.788 0.50 . 1 . . . A 60 VAL CA . 18824 1 686 . 1 1 57 57 VAL CB C 13 32.805 0.50 . 1 . . . A 60 VAL CB . 18824 1 687 . 1 1 57 57 VAL CG1 C 13 20.639 0.50 . 2 . . . A 60 VAL CG1 . 18824 1 688 . 1 1 57 57 VAL CG2 C 13 20.900 0.50 . 2 . . . A 60 VAL CG2 . 18824 1 689 . 1 1 57 57 VAL N N 15 124.914 0.10 . 1 . . . A 60 VAL N . 18824 1 690 . 1 1 58 58 GLU H H 1 7.332 0.05 . 1 . . . A 61 GLU H . 18824 1 691 . 1 1 58 58 GLU HA H 1 5.212 0.05 . 1 . . . A 61 GLU HA . 18824 1 692 . 1 1 58 58 GLU HB2 H 1 1.334 0.05 . 2 . . . A 61 GLU HB2 . 18824 1 693 . 1 1 58 58 GLU HB3 H 1 1.722 0.05 . 2 . . . A 61 GLU HB3 . 18824 1 694 . 1 1 58 58 GLU HG2 H 1 2.000 0.05 . 2 . . . A 61 GLU HG2 . 18824 1 695 . 1 1 58 58 GLU HG3 H 1 1.757 0.05 . 2 . . . A 61 GLU HG3 . 18824 1 696 . 1 1 58 58 GLU C C 13 175.717 0.50 . 1 . . . A 61 GLU C . 18824 1 697 . 1 1 58 58 GLU CA C 13 54.186 0.50 . 1 . . . A 61 GLU CA . 18824 1 698 . 1 1 58 58 GLU CB C 13 34.458 0.50 . 1 . . . A 61 GLU CB . 18824 1 699 . 1 1 58 58 GLU CG C 13 35.354 0.50 . 1 . . . A 61 GLU CG . 18824 1 700 . 1 1 58 58 GLU N N 15 112.868 0.10 . 1 . . . A 61 GLU N . 18824 1 701 . 1 1 59 59 VAL H H 1 8.342 0.05 . 1 . . . A 62 VAL H . 18824 1 702 . 1 1 59 59 VAL HA H 1 4.322 0.05 . 1 . . . A 62 VAL HA . 18824 1 703 . 1 1 59 59 VAL HB H 1 1.627 0.05 . 1 . . . A 62 VAL HB . 18824 1 704 . 1 1 59 59 VAL HG11 H 1 0.512 0.05 . 2 . . . A 62 VAL HG11 . 18824 1 705 . 1 1 59 59 VAL HG12 H 1 0.512 0.05 . 2 . . . A 62 VAL HG12 . 18824 1 706 . 1 1 59 59 VAL HG13 H 1 0.512 0.05 . 2 . . . A 62 VAL HG13 . 18824 1 707 . 1 1 59 59 VAL HG21 H 1 0.652 0.05 . 2 . . . A 62 VAL HG21 . 18824 1 708 . 1 1 59 59 VAL HG22 H 1 0.652 0.05 . 2 . . . A 62 VAL HG22 . 18824 1 709 . 1 1 59 59 VAL HG23 H 1 0.652 0.05 . 2 . . . A 62 VAL HG23 . 18824 1 710 . 1 1 59 59 VAL C C 13 175.495 0.50 . 1 . . . A 62 VAL C . 18824 1 711 . 1 1 59 59 VAL CA C 13 60.750 0.50 . 1 . . . A 62 VAL CA . 18824 1 712 . 1 1 59 59 VAL CB C 13 33.376 0.50 . 1 . . . A 62 VAL CB . 18824 1 713 . 1 1 59 59 VAL CG1 C 13 20.632 0.50 . 2 . . . A 62 VAL CG1 . 18824 1 714 . 1 1 59 59 VAL CG2 C 13 21.628 0.50 . 2 . . . A 62 VAL CG2 . 18824 1 715 . 1 1 59 59 VAL N N 15 118.357 0.10 . 1 . . . A 62 VAL N . 18824 1 716 . 1 1 60 60 ASN H H 1 9.830 0.05 . 1 . . . A 63 ASN H . 18824 1 717 . 1 1 60 60 ASN HA H 1 4.179 0.05 . 1 . . . A 63 ASN HA . 18824 1 718 . 1 1 60 60 ASN HB2 H 1 2.697 0.05 . 2 . . . A 63 ASN HB2 . 18824 1 719 . 1 1 60 60 ASN HB3 H 1 3.071 0.05 . 2 . . . A 63 ASN HB3 . 18824 1 720 . 1 1 60 60 ASN HD21 H 1 6.567 0.05 . 2 . . . A 63 ASN HD21 . 18824 1 721 . 1 1 60 60 ASN HD22 H 1 7.754 0.05 . 2 . . . A 63 ASN HD22 . 18824 1 722 . 1 1 60 60 ASN C C 13 175.051 0.50 . 1 . . . A 63 ASN C . 18824 1 723 . 1 1 60 60 ASN CA C 13 53.644 0.50 . 1 . . . A 63 ASN CA . 18824 1 724 . 1 1 60 60 ASN CB C 13 36.328 0.50 . 1 . . . A 63 ASN CB . 18824 1 725 . 1 1 60 60 ASN N N 15 129.063 0.10 . 1 . . . A 63 ASN N . 18824 1 726 . 1 1 60 60 ASN ND2 N 15 110.185 0.10 . 1 . . . A 63 ASN ND2 . 18824 1 727 . 1 1 61 61 GLY H H 1 9.222 0.05 . 1 . . . A 64 GLY H . 18824 1 728 . 1 1 61 61 GLY HA2 H 1 3.629 0.05 . 2 . . . A 64 GLY HA2 . 18824 1 729 . 1 1 61 61 GLY HA3 H 1 3.889 0.05 . 2 . . . A 64 GLY HA3 . 18824 1 730 . 1 1 61 61 GLY C C 13 173.276 0.50 . 1 . . . A 64 GLY C . 18824 1 731 . 1 1 61 61 GLY CA C 13 45.043 0.50 . 1 . . . A 64 GLY CA . 18824 1 732 . 1 1 61 61 GLY N N 15 103.346 0.10 . 1 . . . A 64 GLY N . 18824 1 733 . 1 1 62 62 GLU H H 1 7.553 0.05 . 1 . . . A 65 GLU H . 18824 1 734 . 1 1 62 62 GLU HA H 1 4.489 0.05 . 1 . . . A 65 GLU HA . 18824 1 735 . 1 1 62 62 GLU HB2 H 1 1.778 0.05 . 2 . . . A 65 GLU HB2 . 18824 1 736 . 1 1 62 62 GLU HB3 H 1 1.778 0.05 . 2 . . . A 65 GLU HB3 . 18824 1 737 . 1 1 62 62 GLU HG2 H 1 2.020 0.05 . 2 . . . A 65 GLU HG2 . 18824 1 738 . 1 1 62 62 GLU HG3 H 1 2.149 0.05 . 2 . . . A 65 GLU HG3 . 18824 1 739 . 1 1 62 62 GLU C C 13 174.745 0.50 . 1 . . . A 65 GLU C . 18824 1 740 . 1 1 62 62 GLU CA C 13 53.691 0.50 . 1 . . . A 65 GLU CA . 18824 1 741 . 1 1 62 62 GLU CB C 13 30.802 0.50 . 1 . . . A 65 GLU CB . 18824 1 742 . 1 1 62 62 GLU CG C 13 35.877 0.50 . 1 . . . A 65 GLU CG . 18824 1 743 . 1 1 62 62 GLU N N 15 119.230 0.10 . 1 . . . A 65 GLU N . 18824 1 744 . 1 1 63 63 ASN H H 1 8.865 0.05 . 1 . . . A 66 ASN H . 18824 1 745 . 1 1 63 63 ASN HA H 1 4.688 0.05 . 1 . . . A 66 ASN HA . 18824 1 746 . 1 1 63 63 ASN HB2 H 1 2.610 0.05 . 2 . . . A 66 ASN HB2 . 18824 1 747 . 1 1 63 63 ASN HB3 H 1 2.610 0.05 . 2 . . . A 66 ASN HB3 . 18824 1 748 . 1 1 63 63 ASN HD21 H 1 8.541 0.05 . 2 . . . A 66 ASN HD21 . 18824 1 749 . 1 1 63 63 ASN HD22 H 1 8.685 0.05 . 2 . . . A 66 ASN HD22 . 18824 1 750 . 1 1 63 63 ASN C C 13 176.144 0.50 . 1 . . . A 66 ASN C . 18824 1 751 . 1 1 63 63 ASN CA C 13 55.224 0.50 . 1 . . . A 66 ASN CA . 18824 1 752 . 1 1 63 63 ASN CB C 13 39.589 0.50 . 1 . . . A 66 ASN CB . 18824 1 753 . 1 1 63 63 ASN N N 15 123.478 0.10 . 1 . . . A 66 ASN N . 18824 1 754 . 1 1 63 63 ASN ND2 N 15 120.323 0.10 . 1 . . . A 66 ASN ND2 . 18824 1 755 . 1 1 64 64 VAL H H 1 8.210 0.05 . 1 . . . A 67 VAL H . 18824 1 756 . 1 1 64 64 VAL HA H 1 4.503 0.05 . 1 . . . A 67 VAL HA . 18824 1 757 . 1 1 64 64 VAL HB H 1 2.476 0.05 . 1 . . . A 67 VAL HB . 18824 1 758 . 1 1 64 64 VAL HG11 H 1 0.226 0.05 . 2 . . . A 67 VAL HG11 . 18824 1 759 . 1 1 64 64 VAL HG12 H 1 0.226 0.05 . 2 . . . A 67 VAL HG12 . 18824 1 760 . 1 1 64 64 VAL HG13 H 1 0.226 0.05 . 2 . . . A 67 VAL HG13 . 18824 1 761 . 1 1 64 64 VAL HG21 H 1 0.644 0.05 . 2 . . . A 67 VAL HG21 . 18824 1 762 . 1 1 64 64 VAL HG22 H 1 0.644 0.05 . 2 . . . A 67 VAL HG22 . 18824 1 763 . 1 1 64 64 VAL HG23 H 1 0.644 0.05 . 2 . . . A 67 VAL HG23 . 18824 1 764 . 1 1 64 64 VAL C C 13 177.475 0.50 . 1 . . . A 67 VAL C . 18824 1 765 . 1 1 64 64 VAL CA C 13 59.756 0.50 . 1 . . . A 67 VAL CA . 18824 1 766 . 1 1 64 64 VAL CB C 13 31.321 0.50 . 1 . . . A 67 VAL CB . 18824 1 767 . 1 1 64 64 VAL CG1 C 13 18.115 0.50 . 2 . . . A 67 VAL CG1 . 18824 1 768 . 1 1 64 64 VAL CG2 C 13 20.341 0.50 . 2 . . . A 67 VAL CG2 . 18824 1 769 . 1 1 64 64 VAL N N 15 117.695 0.10 . 1 . . . A 67 VAL N . 18824 1 770 . 1 1 65 65 GLU H H 1 8.427 0.05 . 1 . . . A 68 GLU H . 18824 1 771 . 1 1 65 65 GLU HA H 1 3.921 0.05 . 1 . . . A 68 GLU HA . 18824 1 772 . 1 1 65 65 GLU HB2 H 1 2.015 0.05 . 2 . . . A 68 GLU HB2 . 18824 1 773 . 1 1 65 65 GLU HB3 H 1 2.183 0.05 . 2 . . . A 68 GLU HB3 . 18824 1 774 . 1 1 65 65 GLU HG2 H 1 2.673 0.05 . 2 . . . A 68 GLU HG2 . 18824 1 775 . 1 1 65 65 GLU HG3 H 1 2.086 0.05 . 2 . . . A 68 GLU HG3 . 18824 1 776 . 1 1 65 65 GLU C C 13 177.348 0.50 . 1 . . . A 68 GLU C . 18824 1 777 . 1 1 65 65 GLU CA C 13 59.762 0.50 . 1 . . . A 68 GLU CA . 18824 1 778 . 1 1 65 65 GLU CB C 13 31.210 0.50 . 1 . . . A 68 GLU CB . 18824 1 779 . 1 1 65 65 GLU CG C 13 39.685 0.50 . 1 . . . A 68 GLU CG . 18824 1 780 . 1 1 65 65 GLU N N 15 122.899 0.10 . 1 . . . A 68 GLU N . 18824 1 781 . 1 1 66 66 LYS H H 1 8.576 0.05 . 1 . . . A 69 LYS H . 18824 1 782 . 1 1 66 66 LYS HA H 1 4.414 0.05 . 1 . . . A 69 LYS HA . 18824 1 783 . 1 1 66 66 LYS HB2 H 1 1.502 0.05 . 2 . . . A 69 LYS HB2 . 18824 1 784 . 1 1 66 66 LYS HB3 H 1 1.972 0.05 . 2 . . . A 69 LYS HB3 . 18824 1 785 . 1 1 66 66 LYS HG2 H 1 1.201 0.05 . 2 . . . A 69 LYS HG2 . 18824 1 786 . 1 1 66 66 LYS HG3 H 1 1.293 0.05 . 2 . . . A 69 LYS HG3 . 18824 1 787 . 1 1 66 66 LYS HD2 H 1 1.545 0.05 . 2 . . . A 69 LYS HD2 . 18824 1 788 . 1 1 66 66 LYS HE2 H 1 2.807 0.05 . 2 . . . A 69 LYS HE2 . 18824 1 789 . 1 1 66 66 LYS C C 13 176.510 0.50 . 1 . . . A 69 LYS C . 18824 1 790 . 1 1 66 66 LYS CA C 13 54.675 0.50 . 1 . . . A 69 LYS CA . 18824 1 791 . 1 1 66 66 LYS CB C 13 31.762 0.50 . 1 . . . A 69 LYS CB . 18824 1 792 . 1 1 66 66 LYS CG C 13 24.710 0.50 . 1 . . . A 69 LYS CG . 18824 1 793 . 1 1 66 66 LYS CD C 13 28.757 0.50 . 1 . . . A 69 LYS CD . 18824 1 794 . 1 1 66 66 LYS N N 15 113.848 0.10 . 1 . . . A 69 LYS N . 18824 1 795 . 1 1 67 67 GLU H H 1 6.994 0.05 . 1 . . . A 70 GLU H . 18824 1 796 . 1 1 67 67 GLU HA H 1 4.361 0.05 . 1 . . . A 70 GLU HA . 18824 1 797 . 1 1 67 67 GLU HB2 H 1 1.685 0.05 . 2 . . . A 70 GLU HB2 . 18824 1 798 . 1 1 67 67 GLU HB3 H 1 2.070 0.05 . 2 . . . A 70 GLU HB3 . 18824 1 799 . 1 1 67 67 GLU HG2 H 1 1.963 0.05 . 2 . . . A 70 GLU HG2 . 18824 1 800 . 1 1 67 67 GLU HG3 H 1 2.275 0.05 . 2 . . . A 70 GLU HG3 . 18824 1 801 . 1 1 67 67 GLU C C 13 176.831 0.50 . 1 . . . A 70 GLU C . 18824 1 802 . 1 1 67 67 GLU CA C 13 56.329 0.50 . 1 . . . A 70 GLU CA . 18824 1 803 . 1 1 67 67 GLU CB C 13 31.293 0.50 . 1 . . . A 70 GLU CB . 18824 1 804 . 1 1 67 67 GLU CG C 13 37.405 0.50 . 1 . . . A 70 GLU CG . 18824 1 805 . 1 1 67 67 GLU N N 15 119.980 0.10 . 1 . . . A 70 GLU N . 18824 1 806 . 1 1 68 68 THR H H 1 8.675 0.05 . 1 . . . A 71 THR H . 18824 1 807 . 1 1 68 68 THR HA H 1 4.270 0.05 . 1 . . . A 71 THR HA . 18824 1 808 . 1 1 68 68 THR HB H 1 4.688 0.05 . 1 . . . A 71 THR HB . 18824 1 809 . 1 1 68 68 THR HG1 H 1 5.510 0.05 . 1 . . . A 71 THR HG1 . 18824 1 810 . 1 1 68 68 THR HG21 H 1 1.250 0.05 . 1 . . . A 71 THR HG21 . 18824 1 811 . 1 1 68 68 THR HG22 H 1 1.250 0.05 . 1 . . . A 71 THR HG22 . 18824 1 812 . 1 1 68 68 THR HG23 H 1 1.250 0.05 . 1 . . . A 71 THR HG23 . 18824 1 813 . 1 1 68 68 THR C C 13 174.812 0.50 . 1 . . . A 71 THR C . 18824 1 814 . 1 1 68 68 THR CA C 13 60.267 0.50 . 1 . . . A 71 THR CA . 18824 1 815 . 1 1 68 68 THR CB C 13 71.497 0.50 . 1 . . . A 71 THR CB . 18824 1 816 . 1 1 68 68 THR CG2 C 13 21.406 0.50 . 1 . . . A 71 THR CG2 . 18824 1 817 . 1 1 68 68 THR N N 15 110.696 0.10 . 1 . . . A 71 THR N . 18824 1 818 . 1 1 69 69 HIS H H 1 9.171 0.05 . 1 . . . A 72 HIS H . 18824 1 819 . 1 1 69 69 HIS HA H 1 3.584 0.05 . 1 . . . A 72 HIS HA . 18824 1 820 . 1 1 69 69 HIS HB2 H 1 3.166 0.05 . 2 . . . A 72 HIS HB2 . 18824 1 821 . 1 1 69 69 HIS HB3 H 1 3.313 0.05 . 2 . . . A 72 HIS HB3 . 18824 1 822 . 1 1 69 69 HIS HD2 H 1 7.173 0.05 . 1 . . . A 72 HIS HD2 . 18824 1 823 . 1 1 69 69 HIS HE1 H 1 8.513 0.05 . 1 . . . A 72 HIS HE1 . 18824 1 824 . 1 1 69 69 HIS C C 13 175.802 0.50 . 1 . . . A 72 HIS C . 18824 1 825 . 1 1 69 69 HIS CA C 13 60.717 0.50 . 1 . . . A 72 HIS CA . 18824 1 826 . 1 1 69 69 HIS CB C 13 28.284 0.50 . 1 . . . A 72 HIS CB . 18824 1 827 . 1 1 69 69 HIS CD2 C 13 121.154 0.50 . 1 . . . A 72 HIS CD2 . 18824 1 828 . 1 1 69 69 HIS CE1 C 13 136.813 0.50 . 1 . . . A 72 HIS CE1 . 18824 1 829 . 1 1 69 69 HIS N N 15 118.876 0.10 . 1 . . . A 72 HIS N . 18824 1 830 . 1 1 70 70 GLN H H 1 8.666 0.05 . 1 . . . A 73 GLN H . 18824 1 831 . 1 1 70 70 GLN HA H 1 3.769 0.05 . 1 . . . A 73 GLN HA . 18824 1 832 . 1 1 70 70 GLN HB2 H 1 1.886 0.05 . 2 . . . A 73 GLN HB2 . 18824 1 833 . 1 1 70 70 GLN HB3 H 1 2.045 0.05 . 2 . . . A 73 GLN HB3 . 18824 1 834 . 1 1 70 70 GLN HG2 H 1 2.401 0.05 . 2 . . . A 73 GLN HG2 . 18824 1 835 . 1 1 70 70 GLN HG3 H 1 2.385 0.05 . 2 . . . A 73 GLN HG3 . 18824 1 836 . 1 1 70 70 GLN HE21 H 1 6.707 0.05 . 2 . . . A 73 GLN HE21 . 18824 1 837 . 1 1 70 70 GLN HE22 H 1 7.240 0.05 . 2 . . . A 73 GLN HE22 . 18824 1 838 . 1 1 70 70 GLN C C 13 179.060 0.50 . 1 . . . A 73 GLN C . 18824 1 839 . 1 1 70 70 GLN CA C 13 58.743 0.50 . 1 . . . A 73 GLN CA . 18824 1 840 . 1 1 70 70 GLN CB C 13 27.793 0.50 . 1 . . . A 73 GLN CB . 18824 1 841 . 1 1 70 70 GLN CG C 13 33.627 0.50 . 1 . . . A 73 GLN CG . 18824 1 842 . 1 1 70 70 GLN N N 15 115.563 0.10 . 1 . . . A 73 GLN N . 18824 1 843 . 1 1 70 70 GLN NE2 N 15 112.241 0.10 . 1 . . . A 73 GLN NE2 . 18824 1 844 . 1 1 71 71 GLN H H 1 7.614 0.05 . 1 . . . A 74 GLN H . 18824 1 845 . 1 1 71 71 GLN HA H 1 3.837 0.05 . 1 . . . A 74 GLN HA . 18824 1 846 . 1 1 71 71 GLN HB2 H 1 1.912 0.05 . 2 . . . A 74 GLN HB2 . 18824 1 847 . 1 1 71 71 GLN HB3 H 1 2.299 0.05 . 2 . . . A 74 GLN HB3 . 18824 1 848 . 1 1 71 71 GLN HG2 H 1 2.256 0.05 . 2 . . . A 74 GLN HG2 . 18824 1 849 . 1 1 71 71 GLN HG3 H 1 2.306 0.05 . 2 . . . A 74 GLN HG3 . 18824 1 850 . 1 1 71 71 GLN HE21 H 1 6.703 0.05 . 2 . . . A 74 GLN HE21 . 18824 1 851 . 1 1 71 71 GLN HE22 H 1 7.370 0.05 . 2 . . . A 74 GLN HE22 . 18824 1 852 . 1 1 71 71 GLN C C 13 179.309 0.50 . 1 . . . A 74 GLN C . 18824 1 853 . 1 1 71 71 GLN CA C 13 58.723 0.50 . 1 . . . A 74 GLN CA . 18824 1 854 . 1 1 71 71 GLN CB C 13 28.754 0.50 . 1 . . . A 74 GLN CB . 18824 1 855 . 1 1 71 71 GLN CG C 13 34.869 0.50 . 1 . . . A 74 GLN CG . 18824 1 856 . 1 1 71 71 GLN N N 15 119.687 0.10 . 1 . . . A 74 GLN N . 18824 1 857 . 1 1 71 71 GLN NE2 N 15 111.407 0.10 . 1 . . . A 74 GLN NE2 . 18824 1 858 . 1 1 72 72 VAL H H 1 8.289 0.05 . 1 . . . A 75 VAL H . 18824 1 859 . 1 1 72 72 VAL HA H 1 3.324 0.05 . 1 . . . A 75 VAL HA . 18824 1 860 . 1 1 72 72 VAL HB H 1 1.769 0.05 . 1 . . . A 75 VAL HB . 18824 1 861 . 1 1 72 72 VAL HG11 H 1 0.612 0.05 . 2 . . . A 75 VAL HG11 . 18824 1 862 . 1 1 72 72 VAL HG12 H 1 0.612 0.05 . 2 . . . A 75 VAL HG12 . 18824 1 863 . 1 1 72 72 VAL HG13 H 1 0.612 0.05 . 2 . . . A 75 VAL HG13 . 18824 1 864 . 1 1 72 72 VAL HG21 H 1 0.906 0.05 . 2 . . . A 75 VAL HG21 . 18824 1 865 . 1 1 72 72 VAL HG22 H 1 0.906 0.05 . 2 . . . A 75 VAL HG22 . 18824 1 866 . 1 1 72 72 VAL HG23 H 1 0.906 0.05 . 2 . . . A 75 VAL HG23 . 18824 1 867 . 1 1 72 72 VAL C C 13 178.031 0.50 . 1 . . . A 75 VAL C . 18824 1 868 . 1 1 72 72 VAL CA C 13 67.423 0.50 . 1 . . . A 75 VAL CA . 18824 1 869 . 1 1 72 72 VAL CB C 13 31.069 0.50 . 1 . . . A 75 VAL CB . 18824 1 870 . 1 1 72 72 VAL CG1 C 13 23.184 0.50 . 2 . . . A 75 VAL CG1 . 18824 1 871 . 1 1 72 72 VAL CG2 C 13 23.676 0.50 . 2 . . . A 75 VAL CG2 . 18824 1 872 . 1 1 72 72 VAL N N 15 120.633 0.10 . 1 . . . A 75 VAL N . 18824 1 873 . 1 1 73 73 VAL H H 1 8.364 0.05 . 1 . . . A 76 VAL H . 18824 1 874 . 1 1 73 73 VAL HA H 1 3.328 0.05 . 1 . . . A 76 VAL HA . 18824 1 875 . 1 1 73 73 VAL HB H 1 1.772 0.05 . 1 . . . A 76 VAL HB . 18824 1 876 . 1 1 73 73 VAL HG11 H 1 0.492 0.05 . 2 . . . A 76 VAL HG11 . 18824 1 877 . 1 1 73 73 VAL HG12 H 1 0.492 0.05 . 2 . . . A 76 VAL HG12 . 18824 1 878 . 1 1 73 73 VAL HG13 H 1 0.492 0.05 . 2 . . . A 76 VAL HG13 . 18824 1 879 . 1 1 73 73 VAL HG21 H 1 0.701 0.05 . 2 . . . A 76 VAL HG21 . 18824 1 880 . 1 1 73 73 VAL HG22 H 1 0.701 0.05 . 2 . . . A 76 VAL HG22 . 18824 1 881 . 1 1 73 73 VAL HG23 H 1 0.701 0.05 . 2 . . . A 76 VAL HG23 . 18824 1 882 . 1 1 73 73 VAL C C 13 178.739 0.50 . 1 . . . A 76 VAL C . 18824 1 883 . 1 1 73 73 VAL CA C 13 66.859 0.50 . 1 . . . A 76 VAL CA . 18824 1 884 . 1 1 73 73 VAL CB C 13 30.847 0.50 . 1 . . . A 76 VAL CB . 18824 1 885 . 1 1 73 73 VAL CG1 C 13 22.137 0.50 . 2 . . . A 76 VAL CG1 . 18824 1 886 . 1 1 73 73 VAL CG2 C 13 20.727 0.50 . 2 . . . A 76 VAL CG2 . 18824 1 887 . 1 1 73 73 VAL N N 15 118.966 0.10 . 1 . . . A 76 VAL N . 18824 1 888 . 1 1 74 74 SER H H 1 7.871 0.05 . 1 . . . A 77 SER H . 18824 1 889 . 1 1 74 74 SER HA H 1 3.994 0.05 . 1 . . . A 77 SER HA . 18824 1 890 . 1 1 74 74 SER HB2 H 1 3.803 0.05 . 2 . . . A 77 SER HB2 . 18824 1 891 . 1 1 74 74 SER HB3 H 1 3.885 0.05 . 2 . . . A 77 SER HB3 . 18824 1 892 . 1 1 74 74 SER C C 13 176.849 0.50 . 1 . . . A 77 SER C . 18824 1 893 . 1 1 74 74 SER CA C 13 62.162 0.50 . 1 . . . A 77 SER CA . 18824 1 894 . 1 1 74 74 SER CB C 13 62.232 0.50 . 1 . . . A 77 SER CB . 18824 1 895 . 1 1 74 74 SER N N 15 115.158 0.10 . 1 . . . A 77 SER N . 18824 1 896 . 1 1 75 75 ARG H H 1 7.469 0.05 . 1 . . . A 78 ARG H . 18824 1 897 . 1 1 75 75 ARG HA H 1 3.922 0.05 . 1 . . . A 78 ARG HA . 18824 1 898 . 1 1 75 75 ARG HB2 H 1 1.594 0.05 . 2 . . . A 78 ARG HB2 . 18824 1 899 . 1 1 75 75 ARG HB3 H 1 1.883 0.05 . 2 . . . A 78 ARG HB3 . 18824 1 900 . 1 1 75 75 ARG HG2 H 1 1.471 0.05 . 2 . . . A 78 ARG HG2 . 18824 1 901 . 1 1 75 75 ARG HG3 H 1 1.752 0.05 . 2 . . . A 78 ARG HG3 . 18824 1 902 . 1 1 75 75 ARG HD2 H 1 2.606 0.05 . 2 . . . A 78 ARG HD2 . 18824 1 903 . 1 1 75 75 ARG HD3 H 1 2.860 0.05 . 2 . . . A 78 ARG HD3 . 18824 1 904 . 1 1 75 75 ARG HE H 1 9.519 0.05 . 1 . . . A 78 ARG HE . 18824 1 905 . 1 1 75 75 ARG HH11 H 1 6.664 0.05 . 2 . . . A 78 ARG HH11 . 18824 1 906 . 1 1 75 75 ARG HH21 H 1 6.727 0.05 . 2 . . . A 78 ARG HH21 . 18824 1 907 . 1 1 75 75 ARG C C 13 179.309 0.50 . 1 . . . A 78 ARG C . 18824 1 908 . 1 1 75 75 ARG CA C 13 58.749 0.50 . 1 . . . A 78 ARG CA . 18824 1 909 . 1 1 75 75 ARG CB C 13 30.279 0.50 . 1 . . . A 78 ARG CB . 18824 1 910 . 1 1 75 75 ARG CG C 13 27.713 0.50 . 1 . . . A 78 ARG CG . 18824 1 911 . 1 1 75 75 ARG CD C 13 43.497 0.50 . 1 . . . A 78 ARG CD . 18824 1 912 . 1 1 75 75 ARG N N 15 121.310 0.10 . 1 . . . A 78 ARG N . 18824 1 913 . 1 1 75 75 ARG NE N 15 85.296 0.10 . 1 . . . A 78 ARG NE . 18824 1 914 . 1 1 76 76 ILE H H 1 7.759 0.05 . 1 . . . A 79 ILE H . 18824 1 915 . 1 1 76 76 ILE HA H 1 3.403 0.05 . 1 . . . A 79 ILE HA . 18824 1 916 . 1 1 76 76 ILE HB H 1 1.898 0.05 . 1 . . . A 79 ILE HB . 18824 1 917 . 1 1 76 76 ILE HG12 H 1 1.617 0.05 . 2 . . . A 79 ILE HG12 . 18824 1 918 . 1 1 76 76 ILE HG13 H 1 0.952 0.05 . 2 . . . A 79 ILE HG13 . 18824 1 919 . 1 1 76 76 ILE HG21 H 1 0.826 0.05 . 1 . . . A 79 ILE HG21 . 18824 1 920 . 1 1 76 76 ILE HG22 H 1 0.826 0.05 . 1 . . . A 79 ILE HG22 . 18824 1 921 . 1 1 76 76 ILE HG23 H 1 0.826 0.05 . 1 . . . A 79 ILE HG23 . 18824 1 922 . 1 1 76 76 ILE HD11 H 1 0.670 0.05 . 1 . . . A 79 ILE HD11 . 18824 1 923 . 1 1 76 76 ILE HD12 H 1 0.670 0.05 . 1 . . . A 79 ILE HD12 . 18824 1 924 . 1 1 76 76 ILE HD13 H 1 0.670 0.05 . 1 . . . A 79 ILE HD13 . 18824 1 925 . 1 1 76 76 ILE C C 13 178.364 0.50 . 1 . . . A 79 ILE C . 18824 1 926 . 1 1 76 76 ILE CA C 13 64.290 0.50 . 1 . . . A 79 ILE CA . 18824 1 927 . 1 1 76 76 ILE CB C 13 37.224 0.50 . 1 . . . A 79 ILE CB . 18824 1 928 . 1 1 76 76 ILE CG1 C 13 29.265 0.50 . 1 . . . A 79 ILE CG1 . 18824 1 929 . 1 1 76 76 ILE CG2 C 13 17.586 0.50 . 1 . . . A 79 ILE CG2 . 18824 1 930 . 1 1 76 76 ILE CD1 C 13 13.243 0.50 . 1 . . . A 79 ILE CD1 . 18824 1 931 . 1 1 76 76 ILE N N 15 119.383 0.10 . 1 . . . A 79 ILE N . 18824 1 932 . 1 1 77 77 ARG H H 1 8.407 0.05 . 1 . . . A 80 ARG H . 18824 1 933 . 1 1 77 77 ARG HA H 1 3.978 0.05 . 1 . . . A 80 ARG HA . 18824 1 934 . 1 1 77 77 ARG HB2 H 1 1.734 0.05 . 2 . . . A 80 ARG HB2 . 18824 1 935 . 1 1 77 77 ARG HB3 H 1 1.805 0.05 . 2 . . . A 80 ARG HB3 . 18824 1 936 . 1 1 77 77 ARG HG2 H 1 1.715 0.05 . 2 . . . A 80 ARG HG2 . 18824 1 937 . 1 1 77 77 ARG HG3 H 1 1.559 0.05 . 2 . . . A 80 ARG HG3 . 18824 1 938 . 1 1 77 77 ARG HD2 H 1 3.030 0.05 . 2 . . . A 80 ARG HD2 . 18824 1 939 . 1 1 77 77 ARG HD3 H 1 3.030 0.05 . 2 . . . A 80 ARG HD3 . 18824 1 940 . 1 1 77 77 ARG HE H 1 7.141 0.05 . 1 . . . A 80 ARG HE . 18824 1 941 . 1 1 77 77 ARG HH11 H 1 6.383 0.05 . 2 . . . A 80 ARG HH11 . 18824 1 942 . 1 1 77 77 ARG HH12 H 1 6.383 0.05 . 2 . . . A 80 ARG HH12 . 18824 1 943 . 1 1 77 77 ARG HH21 H 1 6.745 0.05 . 2 . . . A 80 ARG HH21 . 18824 1 944 . 1 1 77 77 ARG HH22 H 1 6.745 0.05 . 2 . . . A 80 ARG HH22 . 18824 1 945 . 1 1 77 77 ARG C C 13 177.544 0.50 . 1 . . . A 80 ARG C . 18824 1 946 . 1 1 77 77 ARG CA C 13 58.730 0.50 . 1 . . . A 80 ARG CA . 18824 1 947 . 1 1 77 77 ARG CB C 13 29.828 0.50 . 1 . . . A 80 ARG CB . 18824 1 948 . 1 1 77 77 ARG CG C 13 27.354 0.50 . 1 . . . A 80 ARG CG . 18824 1 949 . 1 1 77 77 ARG CD C 13 42.983 0.50 . 1 . . . A 80 ARG CD . 18824 1 950 . 1 1 77 77 ARG N N 15 119.497 0.10 . 1 . . . A 80 ARG N . 18824 1 951 . 1 1 77 77 ARG NE N 15 84.607 0.10 . 1 . . . A 80 ARG NE . 18824 1 952 . 1 1 78 78 ALA H H 1 7.392 0.05 . 1 . . . A 81 ALA H . 18824 1 953 . 1 1 78 78 ALA HA H 1 4.061 0.05 . 1 . . . A 81 ALA HA . 18824 1 954 . 1 1 78 78 ALA HB1 H 1 1.367 0.05 . 1 . . . A 81 ALA HB1 . 18824 1 955 . 1 1 78 78 ALA HB2 H 1 1.367 0.05 . 1 . . . A 81 ALA HB2 . 18824 1 956 . 1 1 78 78 ALA HB3 H 1 1.367 0.05 . 1 . . . A 81 ALA HB3 . 18824 1 957 . 1 1 78 78 ALA C C 13 177.473 0.50 . 1 . . . A 81 ALA C . 18824 1 958 . 1 1 78 78 ALA CA C 13 52.806 0.50 . 1 . . . A 81 ALA CA . 18824 1 959 . 1 1 78 78 ALA CB C 13 18.604 0.50 . 1 . . . A 81 ALA CB . 18824 1 960 . 1 1 78 78 ALA N N 15 118.814 0.10 . 1 . . . A 81 ALA N . 18824 1 961 . 1 1 79 79 ALA H H 1 7.182 0.05 . 1 . . . A 82 ALA H . 18824 1 962 . 1 1 79 79 ALA HA H 1 4.310 0.05 . 1 . . . A 82 ALA HA . 18824 1 963 . 1 1 79 79 ALA HB1 H 1 1.451 0.05 . 1 . . . A 82 ALA HB1 . 18824 1 964 . 1 1 79 79 ALA HB2 H 1 1.451 0.05 . 1 . . . A 82 ALA HB2 . 18824 1 965 . 1 1 79 79 ALA HB3 H 1 1.451 0.05 . 1 . . . A 82 ALA HB3 . 18824 1 966 . 1 1 79 79 ALA C C 13 177.384 0.50 . 1 . . . A 82 ALA C . 18824 1 967 . 1 1 79 79 ALA CA C 13 51.604 0.50 . 1 . . . A 82 ALA CA . 18824 1 968 . 1 1 79 79 ALA CB C 13 17.591 0.50 . 1 . . . A 82 ALA CB . 18824 1 969 . 1 1 79 79 ALA N N 15 121.771 0.10 . 1 . . . A 82 ALA N . 18824 1 970 . 1 1 80 80 LEU H H 1 8.171 0.05 . 1 . . . A 83 LEU H . 18824 1 971 . 1 1 80 80 LEU HA H 1 3.991 0.05 . 1 . . . A 83 LEU HA . 18824 1 972 . 1 1 80 80 LEU HB2 H 1 1.418 0.05 . 2 . . . A 83 LEU HB2 . 18824 1 973 . 1 1 80 80 LEU HB3 H 1 1.700 0.05 . 2 . . . A 83 LEU HB3 . 18824 1 974 . 1 1 80 80 LEU HG H 1 1.572 0.05 . 1 . . . A 83 LEU HG . 18824 1 975 . 1 1 80 80 LEU HD11 H 1 0.776 0.05 . 2 . . . A 83 LEU HD11 . 18824 1 976 . 1 1 80 80 LEU HD12 H 1 0.776 0.05 . 2 . . . A 83 LEU HD12 . 18824 1 977 . 1 1 80 80 LEU HD13 H 1 0.776 0.05 . 2 . . . A 83 LEU HD13 . 18824 1 978 . 1 1 80 80 LEU HD21 H 1 0.833 0.05 . 2 . . . A 83 LEU HD21 . 18824 1 979 . 1 1 80 80 LEU HD22 H 1 0.833 0.05 . 2 . . . A 83 LEU HD22 . 18824 1 980 . 1 1 80 80 LEU HD23 H 1 0.833 0.05 . 2 . . . A 83 LEU HD23 . 18824 1 981 . 1 1 80 80 LEU C C 13 177.366 0.50 . 1 . . . A 83 LEU C . 18824 1 982 . 1 1 80 80 LEU CA C 13 56.977 0.50 . 1 . . . A 83 LEU CA . 18824 1 983 . 1 1 80 80 LEU CB C 13 40.986 0.50 . 1 . . . A 83 LEU CB . 18824 1 984 . 1 1 80 80 LEU CG C 13 26.293 0.50 . 1 . . . A 83 LEU CG . 18824 1 985 . 1 1 80 80 LEU CD1 C 13 22.672 0.50 . 2 . . . A 83 LEU CD1 . 18824 1 986 . 1 1 80 80 LEU CD2 C 13 24.693 0.50 . 2 . . . A 83 LEU CD2 . 18824 1 987 . 1 1 80 80 LEU N N 15 122.357 0.10 . 1 . . . A 83 LEU N . 18824 1 988 . 1 1 81 81 ASN H H 1 8.565 0.05 . 1 . . . A 84 ASN H . 18824 1 989 . 1 1 81 81 ASN HA H 1 4.618 0.05 . 1 . . . A 84 ASN HA . 18824 1 990 . 1 1 81 81 ASN HB2 H 1 2.731 0.05 . 2 . . . A 84 ASN HB2 . 18824 1 991 . 1 1 81 81 ASN HB3 H 1 2.814 0.05 . 2 . . . A 84 ASN HB3 . 18824 1 992 . 1 1 81 81 ASN HD21 H 1 6.907 0.05 . 2 . . . A 84 ASN HD21 . 18824 1 993 . 1 1 81 81 ASN HD22 H 1 7.584 0.05 . 2 . . . A 84 ASN HD22 . 18824 1 994 . 1 1 81 81 ASN C C 13 173.651 0.50 . 1 . . . A 84 ASN C . 18824 1 995 . 1 1 81 81 ASN CA C 13 54.194 0.50 . 1 . . . A 84 ASN CA . 18824 1 996 . 1 1 81 81 ASN CB C 13 39.903 0.50 . 1 . . . A 84 ASN CB . 18824 1 997 . 1 1 81 81 ASN N N 15 114.897 0.10 . 1 . . . A 84 ASN N . 18824 1 998 . 1 1 81 81 ASN ND2 N 15 113.830 0.10 . 1 . . . A 84 ASN ND2 . 18824 1 999 . 1 1 82 82 ALA H H 1 7.808 0.05 . 1 . . . A 85 ALA H . 18824 1 1000 . 1 1 82 82 ALA HA H 1 5.071 0.05 . 1 . . . A 85 ALA HA . 18824 1 1001 . 1 1 82 82 ALA HB1 H 1 1.276 0.05 . 1 . . . A 85 ALA HB1 . 18824 1 1002 . 1 1 82 82 ALA HB2 H 1 1.276 0.05 . 1 . . . A 85 ALA HB2 . 18824 1 1003 . 1 1 82 82 ALA HB3 H 1 1.276 0.05 . 1 . . . A 85 ALA HB3 . 18824 1 1004 . 1 1 82 82 ALA C C 13 175.751 0.50 . 1 . . . A 85 ALA C . 18824 1 1005 . 1 1 82 82 ALA CA C 13 52.110 0.50 . 1 . . . A 85 ALA CA . 18824 1 1006 . 1 1 82 82 ALA CB C 13 21.156 0.50 . 1 . . . A 85 ALA CB . 18824 1 1007 . 1 1 82 82 ALA N N 15 124.026 0.10 . 1 . . . A 85 ALA N . 18824 1 1008 . 1 1 83 83 VAL H H 1 8.432 0.05 . 1 . . . A 86 VAL H . 18824 1 1009 . 1 1 83 83 VAL HA H 1 4.592 0.05 . 1 . . . A 86 VAL HA . 18824 1 1010 . 1 1 83 83 VAL HB H 1 1.730 0.05 . 1 . . . A 86 VAL HB . 18824 1 1011 . 1 1 83 83 VAL HG11 H 1 0.266 0.05 . 2 . . . A 86 VAL HG11 . 18824 1 1012 . 1 1 83 83 VAL HG12 H 1 0.266 0.05 . 2 . . . A 86 VAL HG12 . 18824 1 1013 . 1 1 83 83 VAL HG13 H 1 0.266 0.05 . 2 . . . A 86 VAL HG13 . 18824 1 1014 . 1 1 83 83 VAL HG21 H 1 0.621 0.05 . 2 . . . A 86 VAL HG21 . 18824 1 1015 . 1 1 83 83 VAL HG22 H 1 0.621 0.05 . 2 . . . A 86 VAL HG22 . 18824 1 1016 . 1 1 83 83 VAL HG23 H 1 0.621 0.05 . 2 . . . A 86 VAL HG23 . 18824 1 1017 . 1 1 83 83 VAL C C 13 171.876 0.50 . 1 . . . A 86 VAL C . 18824 1 1018 . 1 1 83 83 VAL CA C 13 59.748 0.50 . 1 . . . A 86 VAL CA . 18824 1 1019 . 1 1 83 83 VAL CB C 13 34.893 0.50 . 1 . . . A 86 VAL CB . 18824 1 1020 . 1 1 83 83 VAL CG1 C 13 19.625 0.50 . 2 . . . A 86 VAL CG1 . 18824 1 1021 . 1 1 83 83 VAL CG2 C 13 21.665 0.50 . 2 . . . A 86 VAL CG2 . 18824 1 1022 . 1 1 83 83 VAL N N 15 116.130 0.10 . 1 . . . A 86 VAL N . 18824 1 1023 . 1 1 84 84 ARG H H 1 8.255 0.05 . 1 . . . A 87 ARG H . 18824 1 1024 . 1 1 84 84 ARG HA H 1 4.998 0.05 . 1 . . . A 87 ARG HA . 18824 1 1025 . 1 1 84 84 ARG HB2 H 1 1.480 0.05 . 2 . . . A 87 ARG HB2 . 18824 1 1026 . 1 1 84 84 ARG HB3 H 1 1.678 0.05 . 2 . . . A 87 ARG HB3 . 18824 1 1027 . 1 1 84 84 ARG HG2 H 1 1.450 0.05 . 2 . . . A 87 ARG HG2 . 18824 1 1028 . 1 1 84 84 ARG HG3 H 1 1.521 0.05 . 2 . . . A 87 ARG HG3 . 18824 1 1029 . 1 1 84 84 ARG HD2 H 1 2.989 0.05 . 2 . . . A 87 ARG HD2 . 18824 1 1030 . 1 1 84 84 ARG HD3 H 1 3.052 0.05 . 2 . . . A 87 ARG HD3 . 18824 1 1031 . 1 1 84 84 ARG C C 13 175.316 0.50 . 1 . . . A 87 ARG C . 18824 1 1032 . 1 1 84 84 ARG CA C 13 53.991 0.50 . 1 . . . A 87 ARG CA . 18824 1 1033 . 1 1 84 84 ARG CB C 13 31.805 0.50 . 1 . . . A 87 ARG CB . 18824 1 1034 . 1 1 84 84 ARG CG C 13 26.743 0.50 . 1 . . . A 87 ARG CG . 18824 1 1035 . 1 1 84 84 ARG CD C 13 43.388 0.50 . 1 . . . A 87 ARG CD . 18824 1 1036 . 1 1 84 84 ARG N N 15 124.913 0.10 . 1 . . . A 87 ARG N . 18824 1 1037 . 1 1 85 85 LEU H H 1 9.041 0.05 . 1 . . . A 88 LEU H . 18824 1 1038 . 1 1 85 85 LEU HA H 1 4.950 0.05 . 1 . . . A 88 LEU HA . 18824 1 1039 . 1 1 85 85 LEU HB2 H 1 0.863 0.05 . 2 . . . A 88 LEU HB2 . 18824 1 1040 . 1 1 85 85 LEU HB3 H 1 1.381 0.05 . 2 . . . A 88 LEU HB3 . 18824 1 1041 . 1 1 85 85 LEU HG H 1 1.251 0.05 . 1 . . . A 88 LEU HG . 18824 1 1042 . 1 1 85 85 LEU HD11 H 1 0.531 0.05 . 2 . . . A 88 LEU HD11 . 18824 1 1043 . 1 1 85 85 LEU HD12 H 1 0.531 0.05 . 2 . . . A 88 LEU HD12 . 18824 1 1044 . 1 1 85 85 LEU HD13 H 1 0.531 0.05 . 2 . . . A 88 LEU HD13 . 18824 1 1045 . 1 1 85 85 LEU HD21 H 1 0.097 0.05 . 2 . . . A 88 LEU HD21 . 18824 1 1046 . 1 1 85 85 LEU HD22 H 1 0.097 0.05 . 2 . . . A 88 LEU HD22 . 18824 1 1047 . 1 1 85 85 LEU HD23 H 1 0.097 0.05 . 2 . . . A 88 LEU HD23 . 18824 1 1048 . 1 1 85 85 LEU C C 13 173.836 0.50 . 1 . . . A 88 LEU C . 18824 1 1049 . 1 1 85 85 LEU CA C 13 52.381 0.50 . 1 . . . A 88 LEU CA . 18824 1 1050 . 1 1 85 85 LEU CB C 13 43.952 0.50 . 1 . . . A 88 LEU CB . 18824 1 1051 . 1 1 85 85 LEU CG C 13 26.223 0.50 . 1 . . . A 88 LEU CG . 18824 1 1052 . 1 1 85 85 LEU CD1 C 13 24.191 0.50 . 2 . . . A 88 LEU CD1 . 18824 1 1053 . 1 1 85 85 LEU CD2 C 13 26.286 0.50 . 2 . . . A 88 LEU CD2 . 18824 1 1054 . 1 1 85 85 LEU N N 15 125.141 0.10 . 1 . . . A 88 LEU N . 18824 1 1055 . 1 1 86 86 LEU H H 1 8.484 0.05 . 1 . . . A 89 LEU H . 18824 1 1056 . 1 1 86 86 LEU HA H 1 5.177 0.05 . 1 . . . A 89 LEU HA . 18824 1 1057 . 1 1 86 86 LEU HB2 H 1 1.463 0.05 . 2 . . . A 89 LEU HB2 . 18824 1 1058 . 1 1 86 86 LEU HB3 H 1 1.551 0.05 . 2 . . . A 89 LEU HB3 . 18824 1 1059 . 1 1 86 86 LEU HG H 1 0.965 0.05 . 1 . . . A 89 LEU HG . 18824 1 1060 . 1 1 86 86 LEU HD11 H 1 0.561 0.05 . 2 . . . A 89 LEU HD11 . 18824 1 1061 . 1 1 86 86 LEU HD12 H 1 0.561 0.05 . 2 . . . A 89 LEU HD12 . 18824 1 1062 . 1 1 86 86 LEU HD13 H 1 0.561 0.05 . 2 . . . A 89 LEU HD13 . 18824 1 1063 . 1 1 86 86 LEU HD21 H 1 0.429 0.05 . 2 . . . A 89 LEU HD21 . 18824 1 1064 . 1 1 86 86 LEU HD22 H 1 0.429 0.05 . 2 . . . A 89 LEU HD22 . 18824 1 1065 . 1 1 86 86 LEU HD23 H 1 0.429 0.05 . 2 . . . A 89 LEU HD23 . 18824 1 1066 . 1 1 86 86 LEU C C 13 175.726 0.50 . 1 . . . A 89 LEU C . 18824 1 1067 . 1 1 86 86 LEU CA C 13 53.709 0.50 . 1 . . . A 89 LEU CA . 18824 1 1068 . 1 1 86 86 LEU CB C 13 43.514 0.50 . 1 . . . A 89 LEU CB . 18824 1 1069 . 1 1 86 86 LEU CG C 13 27.245 0.50 . 1 . . . A 89 LEU CG . 18824 1 1070 . 1 1 86 86 LEU CD1 C 13 23.531 0.50 . 2 . . . A 89 LEU CD1 . 18824 1 1071 . 1 1 86 86 LEU CD2 C 13 25.687 0.50 . 2 . . . A 89 LEU CD2 . 18824 1 1072 . 1 1 86 86 LEU N N 15 126.927 0.10 . 1 . . . A 89 LEU N . 18824 1 1073 . 1 1 87 87 VAL H H 1 9.001 0.05 . 1 . . . A 90 VAL H . 18824 1 1074 . 1 1 87 87 VAL HA H 1 5.438 0.05 . 1 . . . A 90 VAL HA . 18824 1 1075 . 1 1 87 87 VAL HB H 1 1.703 0.05 . 1 . . . A 90 VAL HB . 18824 1 1076 . 1 1 87 87 VAL HG11 H 1 0.453 0.05 . 2 . . . A 90 VAL HG11 . 18824 1 1077 . 1 1 87 87 VAL HG12 H 1 0.453 0.05 . 2 . . . A 90 VAL HG12 . 18824 1 1078 . 1 1 87 87 VAL HG13 H 1 0.453 0.05 . 2 . . . A 90 VAL HG13 . 18824 1 1079 . 1 1 87 87 VAL HG21 H 1 0.615 0.05 . 2 . . . A 90 VAL HG21 . 18824 1 1080 . 1 1 87 87 VAL HG22 H 1 0.615 0.05 . 2 . . . A 90 VAL HG22 . 18824 1 1081 . 1 1 87 87 VAL HG23 H 1 0.615 0.05 . 2 . . . A 90 VAL HG23 . 18824 1 1082 . 1 1 87 87 VAL C C 13 174.157 0.50 . 1 . . . A 90 VAL C . 18824 1 1083 . 1 1 87 87 VAL CA C 13 57.971 0.50 . 1 . . . A 90 VAL CA . 18824 1 1084 . 1 1 87 87 VAL CB C 13 36.856 0.50 . 1 . . . A 90 VAL CB . 18824 1 1085 . 1 1 87 87 VAL CG1 C 13 21.124 0.50 . 2 . . . A 90 VAL CG1 . 18824 1 1086 . 1 1 87 87 VAL CG2 C 13 17.523 0.50 . 2 . . . A 90 VAL CG2 . 18824 1 1087 . 1 1 87 87 VAL N N 15 119.770 0.10 . 1 . . . A 90 VAL N . 18824 1 1088 . 1 1 88 88 VAL H H 1 8.011 0.05 . 1 . . . A 91 VAL H . 18824 1 1089 . 1 1 88 88 VAL HA H 1 4.709 0.05 . 1 . . . A 91 VAL HA . 18824 1 1090 . 1 1 88 88 VAL HB H 1 1.688 0.05 . 1 . . . A 91 VAL HB . 18824 1 1091 . 1 1 88 88 VAL HG11 H 1 0.731 0.05 . 2 . . . A 91 VAL HG11 . 18824 1 1092 . 1 1 88 88 VAL HG12 H 1 0.731 0.05 . 2 . . . A 91 VAL HG12 . 18824 1 1093 . 1 1 88 88 VAL HG13 H 1 0.731 0.05 . 2 . . . A 91 VAL HG13 . 18824 1 1094 . 1 1 88 88 VAL HG21 H 1 0.800 0.05 . 2 . . . A 91 VAL HG21 . 18824 1 1095 . 1 1 88 88 VAL HG22 H 1 0.800 0.05 . 2 . . . A 91 VAL HG22 . 18824 1 1096 . 1 1 88 88 VAL HG23 H 1 0.800 0.05 . 2 . . . A 91 VAL HG23 . 18824 1 1097 . 1 1 88 88 VAL C C 13 173.993 0.50 . 1 . . . A 91 VAL C . 18824 1 1098 . 1 1 88 88 VAL CA C 13 58.983 0.50 . 1 . . . A 91 VAL CA . 18824 1 1099 . 1 1 88 88 VAL CB C 13 35.466 0.50 . 1 . . . A 91 VAL CB . 18824 1 1100 . 1 1 88 88 VAL CG1 C 13 20.619 0.50 . 2 . . . A 91 VAL CG1 . 18824 1 1101 . 1 1 88 88 VAL CG2 C 13 20.094 0.50 . 2 . . . A 91 VAL CG2 . 18824 1 1102 . 1 1 88 88 VAL N N 15 112.698 0.10 . 1 . . . A 91 VAL N . 18824 1 1103 . 1 1 89 89 ASP H H 1 7.878 0.05 . 1 . . . A 92 ASP H . 18824 1 1104 . 1 1 89 89 ASP HA H 1 5.006 0.05 . 1 . . . A 92 ASP HA . 18824 1 1105 . 1 1 89 89 ASP HB2 H 1 2.440 0.05 . 2 . . . A 92 ASP HB2 . 18824 1 1106 . 1 1 89 89 ASP HB3 H 1 2.930 0.05 . 2 . . . A 92 ASP HB3 . 18824 1 1107 . 1 1 89 89 ASP CA C 13 53.078 0.50 . 1 . . . A 92 ASP CA . 18824 1 1108 . 1 1 89 89 ASP CB C 13 39.764 0.50 . 1 . . . A 92 ASP CB . 18824 1 1109 . 1 1 89 89 ASP N N 15 127.066 0.10 . 1 . . . A 92 ASP N . 18824 1 1110 . 1 1 90 90 PRO HA H 1 4.403 0.05 . 1 . . . A 93 PRO HA . 18824 1 1111 . 1 1 90 90 PRO HB2 H 1 2.368 0.05 . 2 . . . A 93 PRO HB2 . 18824 1 1112 . 1 1 90 90 PRO HB3 H 1 1.925 0.05 . 2 . . . A 93 PRO HB3 . 18824 1 1113 . 1 1 90 90 PRO HG3 H 1 2.045 0.05 . 2 . . . A 93 PRO HG3 . 18824 1 1114 . 1 1 90 90 PRO HD2 H 1 3.777 0.05 . 2 . . . A 93 PRO HD2 . 18824 1 1115 . 1 1 90 90 PRO HD3 H 1 3.822 0.05 . 2 . . . A 93 PRO HD3 . 18824 1 1116 . 1 1 90 90 PRO CA C 13 65.864 0.50 . 1 . . . A 93 PRO CA . 18824 1 1117 . 1 1 90 90 PRO CB C 13 32.221 0.50 . 1 . . . A 93 PRO CB . 18824 1 1118 . 1 1 90 90 PRO CG C 13 27.662 0.50 . 1 . . . A 93 PRO CG . 18824 1 1119 . 1 1 90 90 PRO CD C 13 50.614 0.50 . 1 . . . A 93 PRO CD . 18824 1 1120 . 1 1 91 91 GLU H H 1 8.156 0.05 . 1 . . . A 94 GLU H . 18824 1 1121 . 1 1 91 91 GLU HA H 1 4.050 0.05 . 1 . . . A 94 GLU HA . 18824 1 1122 . 1 1 91 91 GLU HB2 H 1 1.977 0.05 . 2 . . . A 94 GLU HB2 . 18824 1 1123 . 1 1 91 91 GLU HG2 H 1 2.183 0.05 . 2 . . . A 94 GLU HG2 . 18824 1 1124 . 1 1 91 91 GLU C C 13 179.182 0.50 . 1 . . . A 94 GLU C . 18824 1 1125 . 1 1 91 91 GLU CA C 13 59.218 0.50 . 1 . . . A 94 GLU CA . 18824 1 1126 . 1 1 91 91 GLU CB C 13 28.950 0.50 . 1 . . . A 94 GLU CB . 18824 1 1127 . 1 1 91 91 GLU CG C 13 36.144 0.50 . 1 . . . A 94 GLU CG . 18824 1 1128 . 1 1 91 91 GLU N N 15 119.504 0.10 . 1 . . . A 94 GLU N . 18824 1 1129 . 1 1 92 92 THR H H 1 8.315 0.05 . 1 . . . A 95 THR H . 18824 1 1130 . 1 1 92 92 THR HA H 1 3.751 0.05 . 1 . . . A 95 THR HA . 18824 1 1131 . 1 1 92 92 THR HB H 1 3.750 0.05 . 1 . . . A 95 THR HB . 18824 1 1132 . 1 1 92 92 THR HG21 H 1 0.827 0.05 . 1 . . . A 95 THR HG21 . 18824 1 1133 . 1 1 92 92 THR HG22 H 1 0.827 0.05 . 1 . . . A 95 THR HG22 . 18824 1 1134 . 1 1 92 92 THR HG23 H 1 0.827 0.05 . 1 . . . A 95 THR HG23 . 18824 1 1135 . 1 1 92 92 THR C C 13 175.888 0.50 . 1 . . . A 95 THR C . 18824 1 1136 . 1 1 92 92 THR CA C 13 65.764 0.50 . 1 . . . A 95 THR CA . 18824 1 1137 . 1 1 92 92 THR CB C 13 67.338 0.50 . 1 . . . A 95 THR CB . 18824 1 1138 . 1 1 92 92 THR CG2 C 13 21.656 0.50 . 1 . . . A 95 THR CG2 . 18824 1 1139 . 1 1 92 92 THR N N 15 120.651 0.10 . 1 . . . A 95 THR N . 18824 1 1140 . 1 1 93 93 ASP H H 1 8.381 0.05 . 1 . . . A 96 ASP H . 18824 1 1141 . 1 1 93 93 ASP HA H 1 4.233 0.05 . 1 . . . A 96 ASP HA . 18824 1 1142 . 1 1 93 93 ASP HB2 H 1 2.704 0.05 . 2 . . . A 96 ASP HB2 . 18824 1 1143 . 1 1 93 93 ASP HB3 H 1 2.704 0.05 . 2 . . . A 96 ASP HB3 . 18824 1 1144 . 1 1 93 93 ASP C C 13 178.275 0.50 . 1 . . . A 96 ASP C . 18824 1 1145 . 1 1 93 93 ASP CA C 13 56.221 0.50 . 1 . . . A 96 ASP CA . 18824 1 1146 . 1 1 93 93 ASP CB C 13 41.038 0.50 . 1 . . . A 96 ASP CB . 18824 1 1147 . 1 1 93 93 ASP N N 15 120.554 0.10 . 1 . . . A 96 ASP N . 18824 1 1148 . 1 1 94 94 GLU H H 1 7.727 0.05 . 1 . . . A 97 GLU H . 18824 1 1149 . 1 1 94 94 GLU HA H 1 3.865 0.05 . 1 . . . A 97 GLU HA . 18824 1 1150 . 1 1 94 94 GLU HB2 H 1 1.996 0.05 . 2 . . . A 97 GLU HB2 . 18824 1 1151 . 1 1 94 94 GLU HB3 H 1 1.996 0.05 . 2 . . . A 97 GLU HB3 . 18824 1 1152 . 1 1 94 94 GLU HG2 H 1 2.146 0.05 . 2 . . . A 97 GLU HG2 . 18824 1 1153 . 1 1 94 94 GLU HG3 H 1 2.278 0.05 . 2 . . . A 97 GLU HG3 . 18824 1 1154 . 1 1 94 94 GLU C C 13 178.790 0.50 . 1 . . . A 97 GLU C . 18824 1 1155 . 1 1 94 94 GLU CA C 13 59.209 0.50 . 1 . . . A 97 GLU CA . 18824 1 1156 . 1 1 94 94 GLU CB C 13 29.046 0.50 . 1 . . . A 97 GLU CB . 18824 1 1157 . 1 1 94 94 GLU CG C 13 35.625 0.50 . 1 . . . A 97 GLU CG . 18824 1 1158 . 1 1 94 94 GLU N N 15 117.457 0.10 . 1 . . . A 97 GLU N . 18824 1 1159 . 1 1 95 95 GLN H H 1 7.733 0.05 . 1 . . . A 98 GLN H . 18824 1 1160 . 1 1 95 95 GLN HA H 1 3.974 0.05 . 1 . . . A 98 GLN HA . 18824 1 1161 . 1 1 95 95 GLN HB3 H 1 2.072 0.05 . 2 . . . A 98 GLN HB3 . 18824 1 1162 . 1 1 95 95 GLN HG2 H 1 2.335 0.05 . 2 . . . A 98 GLN HG2 . 18824 1 1163 . 1 1 95 95 GLN HE21 H 1 6.814 0.05 . 2 . . . A 98 GLN HE21 . 18824 1 1164 . 1 1 95 95 GLN HE22 H 1 7.316 0.05 . 2 . . . A 98 GLN HE22 . 18824 1 1165 . 1 1 95 95 GLN C C 13 178.756 0.50 . 1 . . . A 98 GLN C . 18824 1 1166 . 1 1 95 95 GLN CA C 13 58.240 0.50 . 1 . . . A 98 GLN CA . 18824 1 1167 . 1 1 95 95 GLN CB C 13 27.932 0.50 . 1 . . . A 98 GLN CB . 18824 1 1168 . 1 1 95 95 GLN CG C 13 33.328 0.50 . 1 . . . A 98 GLN CG . 18824 1 1169 . 1 1 95 95 GLN N N 15 118.704 0.10 . 1 . . . A 98 GLN N . 18824 1 1170 . 1 1 95 95 GLN NE2 N 15 111.857 0.10 . 1 . . . A 98 GLN NE2 . 18824 1 1171 . 1 1 96 96 LEU H H 1 8.494 0.05 . 1 . . . A 99 LEU H . 18824 1 1172 . 1 1 96 96 LEU HA H 1 3.914 0.05 . 1 . . . A 99 LEU HA . 18824 1 1173 . 1 1 96 96 LEU HB2 H 1 1.433 0.05 . 2 . . . A 99 LEU HB2 . 18824 1 1174 . 1 1 96 96 LEU HB3 H 1 1.802 0.05 . 2 . . . A 99 LEU HB3 . 18824 1 1175 . 1 1 96 96 LEU HG H 1 1.759 0.05 . 1 . . . A 99 LEU HG . 18824 1 1176 . 1 1 96 96 LEU HD11 H 1 0.623 0.05 . 2 . . . A 99 LEU HD11 . 18824 1 1177 . 1 1 96 96 LEU HD12 H 1 0.623 0.05 . 2 . . . A 99 LEU HD12 . 18824 1 1178 . 1 1 96 96 LEU HD13 H 1 0.623 0.05 . 2 . . . A 99 LEU HD13 . 18824 1 1179 . 1 1 96 96 LEU HD21 H 1 0.643 0.05 . 2 . . . A 99 LEU HD21 . 18824 1 1180 . 1 1 96 96 LEU HD22 H 1 0.643 0.05 . 2 . . . A 99 LEU HD22 . 18824 1 1181 . 1 1 96 96 LEU HD23 H 1 0.643 0.05 . 2 . . . A 99 LEU HD23 . 18824 1 1182 . 1 1 96 96 LEU CA C 13 57.719 0.50 . 1 . . . A 99 LEU CA . 18824 1 1183 . 1 1 96 96 LEU CB C 13 39.883 0.50 . 1 . . . A 99 LEU CB . 18824 1 1184 . 1 1 96 96 LEU CG C 13 26.237 0.50 . 1 . . . A 99 LEU CG . 18824 1 1185 . 1 1 96 96 LEU CD1 C 13 26.237 0.50 . 2 . . . A 99 LEU CD1 . 18824 1 1186 . 1 1 96 96 LEU CD2 C 13 21.709 0.50 . 2 . . . A 99 LEU CD2 . 18824 1 1187 . 1 1 96 96 LEU N N 15 119.242 0.10 . 1 . . . A 99 LEU N . 18824 1 1188 . 1 1 97 97 GLN H H 1 8.202 0.05 . 1 . . . A 100 GLN H . 18824 1 1189 . 1 1 97 97 GLN HA H 1 3.964 0.05 . 1 . . . A 100 GLN HA . 18824 1 1190 . 1 1 97 97 GLN HB2 H 1 2.034 0.05 . 2 . . . A 100 GLN HB2 . 18824 1 1191 . 1 1 97 97 GLN HB3 H 1 2.033 0.05 . 2 . . . A 100 GLN HB3 . 18824 1 1192 . 1 1 97 97 GLN HG2 H 1 2.303 0.05 . 2 . . . A 100 GLN HG2 . 18824 1 1193 . 1 1 97 97 GLN HG3 H 1 2.402 0.05 . 2 . . . A 100 GLN HG3 . 18824 1 1194 . 1 1 97 97 GLN HE21 H 1 6.863 0.05 . 2 . . . A 100 GLN HE21 . 18824 1 1195 . 1 1 97 97 GLN HE22 H 1 7.517 0.05 . 2 . . . A 100 GLN HE22 . 18824 1 1196 . 1 1 97 97 GLN CA C 13 58.634 0.50 . 1 . . . A 100 GLN CA . 18824 1 1197 . 1 1 97 97 GLN CB C 13 27.718 0.50 . 1 . . . A 100 GLN CB . 18824 1 1198 . 1 1 97 97 GLN CG C 13 33.809 0.50 . 1 . . . A 100 GLN CG . 18824 1 1199 . 1 1 97 97 GLN N N 15 118.689 0.10 . 1 . . . A 100 GLN N . 18824 1 1200 . 1 1 97 97 GLN NE2 N 15 112.586 0.10 . 1 . . . A 100 GLN NE2 . 18824 1 1201 . 1 1 98 98 LYS H H 1 7.783 0.05 . 1 . . . A 101 LYS H . 18824 1 1202 . 1 1 98 98 LYS HA H 1 3.934 0.05 . 1 . . . A 101 LYS HA . 18824 1 1203 . 1 1 98 98 LYS HB2 H 1 1.833 0.05 . 2 . . . A 101 LYS HB2 . 18824 1 1204 . 1 1 98 98 LYS HB3 H 1 1.833 0.05 . 2 . . . A 101 LYS HB3 . 18824 1 1205 . 1 1 98 98 LYS HG2 H 1 1.350 0.05 . 2 . . . A 101 LYS HG2 . 18824 1 1206 . 1 1 98 98 LYS HG3 H 1 1.528 0.05 . 2 . . . A 101 LYS HG3 . 18824 1 1207 . 1 1 98 98 LYS HE2 H 1 2.824 0.05 . 2 . . . A 101 LYS HE2 . 18824 1 1208 . 1 1 98 98 LYS CA C 13 58.742 0.50 . 1 . . . A 101 LYS CA . 18824 1 1209 . 1 1 98 98 LYS CB C 13 31.861 0.50 . 1 . . . A 101 LYS CB . 18824 1 1210 . 1 1 98 98 LYS CG C 13 25.108 0.50 . 1 . . . A 101 LYS CG . 18824 1 1211 . 1 1 98 98 LYS CD C 13 29.174 0.50 . 1 . . . A 101 LYS CD . 18824 1 1212 . 1 1 98 98 LYS CE C 13 41.965 0.50 . 1 . . . A 101 LYS CE . 18824 1 1213 . 1 1 98 98 LYS N N 15 120.369 0.10 . 1 . . . A 101 LYS N . 18824 1 1214 . 1 1 99 99 LEU H H 1 7.512 0.05 . 1 . . . A 102 LEU H . 18824 1 1215 . 1 1 99 99 LEU HA H 1 4.157 0.05 . 1 . . . A 102 LEU HA . 18824 1 1216 . 1 1 99 99 LEU HB2 H 1 1.511 0.05 . 2 . . . A 102 LEU HB2 . 18824 1 1217 . 1 1 99 99 LEU HB3 H 1 1.698 0.05 . 2 . . . A 102 LEU HB3 . 18824 1 1218 . 1 1 99 99 LEU HG H 1 1.712 0.05 . 1 . . . A 102 LEU HG . 18824 1 1219 . 1 1 99 99 LEU HD11 H 1 0.779 0.05 . 2 . . . A 102 LEU HD11 . 18824 1 1220 . 1 1 99 99 LEU HD12 H 1 0.779 0.05 . 2 . . . A 102 LEU HD12 . 18824 1 1221 . 1 1 99 99 LEU HD13 H 1 0.779 0.05 . 2 . . . A 102 LEU HD13 . 18824 1 1222 . 1 1 99 99 LEU HD21 H 1 0.759 0.05 . 2 . . . A 102 LEU HD21 . 18824 1 1223 . 1 1 99 99 LEU HD22 H 1 0.759 0.05 . 2 . . . A 102 LEU HD22 . 18824 1 1224 . 1 1 99 99 LEU HD23 H 1 0.759 0.05 . 2 . . . A 102 LEU HD23 . 18824 1 1225 . 1 1 99 99 LEU C C 13 177.526 0.50 . 1 . . . A 102 LEU C . 18824 1 1226 . 1 1 99 99 LEU CA C 13 55.174 0.50 . 1 . . . A 102 LEU CA . 18824 1 1227 . 1 1 99 99 LEU CB C 13 42.966 0.50 . 1 . . . A 102 LEU CB . 18824 1 1228 . 1 1 99 99 LEU CG C 13 26.294 0.50 . 1 . . . A 102 LEU CG . 18824 1 1229 . 1 1 99 99 LEU CD1 C 13 25.185 0.50 . 2 . . . A 102 LEU CD1 . 18824 1 1230 . 1 1 99 99 LEU CD2 C 13 22.159 0.50 . 2 . . . A 102 LEU CD2 . 18824 1 1231 . 1 1 99 99 LEU N N 15 117.862 0.10 . 1 . . . A 102 LEU N . 18824 1 1232 . 1 1 100 100 GLY H H 1 7.851 0.05 . 1 . . . A 103 GLY H . 18824 1 1233 . 1 1 100 100 GLY HA2 H 1 3.756 0.05 . 2 . . . A 103 GLY HA2 . 18824 1 1234 . 1 1 100 100 GLY HA3 H 1 3.855 0.05 . 2 . . . A 103 GLY HA3 . 18824 1 1235 . 1 1 100 100 GLY C C 13 174.353 0.50 . 1 . . . A 103 GLY C . 18824 1 1236 . 1 1 100 100 GLY CA C 13 45.565 0.50 . 1 . . . A 103 GLY CA . 18824 1 1237 . 1 1 100 100 GLY N N 15 108.863 0.10 . 1 . . . A 103 GLY N . 18824 1 1238 . 1 1 101 101 VAL H H 1 7.726 0.05 . 1 . . . A 104 VAL H . 18824 1 1239 . 1 1 101 101 VAL HA H 1 3.852 0.05 . 1 . . . A 104 VAL HA . 18824 1 1240 . 1 1 101 101 VAL HB H 1 1.793 0.05 . 1 . . . A 104 VAL HB . 18824 1 1241 . 1 1 101 101 VAL HG11 H 1 0.752 0.05 . 2 . . . A 104 VAL HG11 . 18824 1 1242 . 1 1 101 101 VAL HG12 H 1 0.752 0.05 . 2 . . . A 104 VAL HG12 . 18824 1 1243 . 1 1 101 101 VAL HG13 H 1 0.752 0.05 . 2 . . . A 104 VAL HG13 . 18824 1 1244 . 1 1 101 101 VAL HG21 H 1 0.735 0.05 . 2 . . . A 104 VAL HG21 . 18824 1 1245 . 1 1 101 101 VAL HG22 H 1 0.735 0.05 . 2 . . . A 104 VAL HG22 . 18824 1 1246 . 1 1 101 101 VAL HG23 H 1 0.735 0.05 . 2 . . . A 104 VAL HG23 . 18824 1 1247 . 1 1 101 101 VAL CA C 13 61.751 0.50 . 1 . . . A 104 VAL CA . 18824 1 1248 . 1 1 101 101 VAL CB C 13 32.824 0.50 . 1 . . . A 104 VAL CB . 18824 1 1249 . 1 1 101 101 VAL CG1 C 13 21.015 0.50 . 2 . . . A 104 VAL CG1 . 18824 1 1250 . 1 1 101 101 VAL CG2 C 13 21.228 0.50 . 2 . . . A 104 VAL CG2 . 18824 1 1251 . 1 1 101 101 VAL N N 15 120.506 0.10 . 1 . . . A 104 VAL N . 18824 1 1252 . 1 1 102 102 GLN H H 1 8.245 0.05 . 1 . . . A 105 GLN H . 18824 1 1253 . 1 1 102 102 GLN HA H 1 4.107 0.05 . 1 . . . A 105 GLN HA . 18824 1 1254 . 1 1 102 102 GLN HB2 H 1 1.862 0.05 . 2 . . . A 105 GLN HB2 . 18824 1 1255 . 1 1 102 102 GLN HB3 H 1 1.862 0.05 . 2 . . . A 105 GLN HB3 . 18824 1 1256 . 1 1 102 102 GLN HG2 H 1 2.186 0.05 . 2 . . . A 105 GLN HG2 . 18824 1 1257 . 1 1 102 102 GLN HE21 H 1 7.012 0.05 . 2 . . . A 105 GLN HE21 . 18824 1 1258 . 1 1 102 102 GLN HE22 H 1 7.487 0.05 . 2 . . . A 105 GLN HE22 . 18824 1 1259 . 1 1 102 102 GLN CA C 13 55.170 0.50 . 1 . . . A 105 GLN CA . 18824 1 1260 . 1 1 102 102 GLN CB C 13 28.783 0.50 . 1 . . . A 105 GLN CB . 18824 1 1261 . 1 1 102 102 GLN CG C 13 33.487 0.50 . 1 . . . A 105 GLN CG . 18824 1 1262 . 1 1 102 102 GLN N N 15 124.776 0.10 . 1 . . . A 105 GLN N . 18824 1 1263 . 1 1 102 102 GLN NE2 N 15 113.596 0.10 . 1 . . . A 105 GLN NE2 . 18824 1 1264 . 1 1 103 103 VAL H H 1 8.504 0.05 . 1 . . . A 106 VAL H . 18824 1 1265 . 1 1 103 103 VAL HA H 1 3.461 0.05 . 1 . . . A 106 VAL HA . 18824 1 1266 . 1 1 103 103 VAL HB H 1 1.935 0.05 . 1 . . . A 106 VAL HB . 18824 1 1267 . 1 1 103 103 VAL HG11 H 1 0.594 0.05 . 2 . . . A 106 VAL HG11 . 18824 1 1268 . 1 1 103 103 VAL HG12 H 1 0.594 0.05 . 2 . . . A 106 VAL HG12 . 18824 1 1269 . 1 1 103 103 VAL HG13 H 1 0.594 0.05 . 2 . . . A 106 VAL HG13 . 18824 1 1270 . 1 1 103 103 VAL HG21 H 1 0.825 0.05 . 2 . . . A 106 VAL HG21 . 18824 1 1271 . 1 1 103 103 VAL HG22 H 1 0.825 0.05 . 2 . . . A 106 VAL HG22 . 18824 1 1272 . 1 1 103 103 VAL HG23 H 1 0.825 0.05 . 2 . . . A 106 VAL HG23 . 18824 1 1273 . 1 1 103 103 VAL C C 13 179.182 0.50 . 1 . . . A 106 VAL C . 18824 1 1274 . 1 1 103 103 VAL CA C 13 64.553 0.50 . 1 . . . A 106 VAL CA . 18824 1 1275 . 1 1 103 103 VAL CB C 13 30.309 0.50 . 1 . . . A 106 VAL CB . 18824 1 1276 . 1 1 103 103 VAL CG1 C 13 21.691 0.50 . 2 . . . A 106 VAL CG1 . 18824 1 1277 . 1 1 103 103 VAL CG2 C 13 21.672 0.50 . 2 . . . A 106 VAL CG2 . 18824 1 1278 . 1 1 104 104 ARG HA H 1 4.240 0.05 . 1 . . . A 107 ARG HA . 18824 1 1279 . 1 1 105 105 GLU H H 1 8.690 0.05 . 1 . . . A 108 GLU H . 18824 1 1280 . 1 1 105 105 GLU HA H 1 3.619 0.05 . 1 . . . A 108 GLU HA . 18824 1 1281 . 1 1 105 105 GLU HB2 H 1 1.862 0.05 . 2 . . . A 108 GLU HB2 . 18824 1 1282 . 1 1 105 105 GLU HB3 H 1 2.070 0.05 . 2 . . . A 108 GLU HB3 . 18824 1 1283 . 1 1 105 105 GLU HG2 H 1 2.129 0.05 . 2 . . . A 108 GLU HG2 . 18824 1 1284 . 1 1 105 105 GLU HG3 H 1 2.129 0.05 . 2 . . . A 108 GLU HG3 . 18824 1 1285 . 1 1 105 105 GLU CA C 13 59.746 0.50 . 1 . . . A 108 GLU CA . 18824 1 1286 . 1 1 105 105 GLU CB C 13 29.234 0.50 . 1 . . . A 108 GLU CB . 18824 1 1287 . 1 1 105 105 GLU CG C 13 36.867 0.50 . 1 . . . A 108 GLU CG . 18824 1 1288 . 1 1 107 107 LEU HA H 1 4.042 0.05 . 1 . . . A 110 LEU HA . 18824 1 1289 . 1 1 107 107 LEU HB2 H 1 1.493 0.05 . 2 . . . A 110 LEU HB2 . 18824 1 1290 . 1 1 107 107 LEU HB3 H 1 1.585 0.05 . 2 . . . A 110 LEU HB3 . 18824 1 1291 . 1 1 107 107 LEU HG H 1 1.631 0.05 . 1 . . . A 110 LEU HG . 18824 1 1292 . 1 1 107 107 LEU HD11 H 1 0.742 0.05 . 2 . . . A 110 LEU HD11 . 18824 1 1293 . 1 1 107 107 LEU HD12 H 1 0.742 0.05 . 2 . . . A 110 LEU HD12 . 18824 1 1294 . 1 1 107 107 LEU HD13 H 1 0.742 0.05 . 2 . . . A 110 LEU HD13 . 18824 1 1295 . 1 1 107 107 LEU HD21 H 1 0.871 0.05 . 2 . . . A 110 LEU HD21 . 18824 1 1296 . 1 1 107 107 LEU HD22 H 1 0.871 0.05 . 2 . . . A 110 LEU HD22 . 18824 1 1297 . 1 1 107 107 LEU HD23 H 1 0.871 0.05 . 2 . . . A 110 LEU HD23 . 18824 1 1298 . 1 1 107 107 LEU CA C 13 56.360 0.50 . 1 . . . A 110 LEU CA . 18824 1 1299 . 1 1 107 107 LEU CB C 13 42.120 0.50 . 1 . . . A 110 LEU CB . 18824 1 1300 . 1 1 107 107 LEU CG C 13 26.741 0.50 . 1 . . . A 110 LEU CG . 18824 1 1301 . 1 1 107 107 LEU CD1 C 13 22.989 0.50 . 2 . . . A 110 LEU CD1 . 18824 1 1302 . 1 1 107 107 LEU CD2 C 13 25.691 0.50 . 2 . . . A 110 LEU CD2 . 18824 1 1303 . 1 1 108 108 LEU H H 1 7.791 0.05 . 1 . . . A 111 LEU H . 18824 1 1304 . 1 1 108 108 LEU HA H 1 4.083 0.05 . 1 . . . A 111 LEU HA . 18824 1 1305 . 1 1 108 108 LEU HB2 H 1 1.518 0.05 . 2 . . . A 111 LEU HB2 . 18824 1 1306 . 1 1 108 108 LEU HB3 H 1 1.697 0.05 . 2 . . . A 111 LEU HB3 . 18824 1 1307 . 1 1 108 108 LEU HG H 1 1.507 0.05 . 1 . . . A 111 LEU HG . 18824 1 1308 . 1 1 108 108 LEU HD11 H 1 0.734 0.05 . 2 . . . A 111 LEU HD11 . 18824 1 1309 . 1 1 108 108 LEU HD12 H 1 0.734 0.05 . 2 . . . A 111 LEU HD12 . 18824 1 1310 . 1 1 108 108 LEU HD13 H 1 0.734 0.05 . 2 . . . A 111 LEU HD13 . 18824 1 1311 . 1 1 108 108 LEU HD21 H 1 0.741 0.05 . 2 . . . A 111 LEU HD21 . 18824 1 1312 . 1 1 108 108 LEU HD22 H 1 0.741 0.05 . 2 . . . A 111 LEU HD22 . 18824 1 1313 . 1 1 108 108 LEU HD23 H 1 0.741 0.05 . 2 . . . A 111 LEU HD23 . 18824 1 1314 . 1 1 108 108 LEU C C 13 177.598 0.50 . 1 . . . A 111 LEU C . 18824 1 1315 . 1 1 108 108 LEU CA C 13 55.628 0.50 . 1 . . . A 111 LEU CA . 18824 1 1316 . 1 1 108 108 LEU CB C 13 40.977 0.50 . 1 . . . A 111 LEU CB . 18824 1 1317 . 1 1 108 108 LEU CG C 13 27.245 0.50 . 1 . . . A 111 LEU CG . 18824 1 1318 . 1 1 108 108 LEU CD1 C 13 23.191 0.50 . 2 . . . A 111 LEU CD1 . 18824 1 1319 . 1 1 108 108 LEU CD2 C 13 25.238 0.50 . 2 . . . A 111 LEU CD2 . 18824 1 1320 . 1 1 108 108 LEU N N 15 116.974 0.10 . 1 . . . A 111 LEU N . 18824 1 1321 . 1 1 109 109 ARG H H 1 7.528 0.05 . 1 . . . A 112 ARG H . 18824 1 1322 . 1 1 109 109 ARG HA H 1 4.152 0.05 . 1 . . . A 112 ARG HA . 18824 1 1323 . 1 1 109 109 ARG HB2 H 1 1.661 0.05 . 2 . . . A 112 ARG HB2 . 18824 1 1324 . 1 1 109 109 ARG HB3 H 1 1.757 0.05 . 2 . . . A 112 ARG HB3 . 18824 1 1325 . 1 1 109 109 ARG HG2 H 1 1.512 0.05 . 2 . . . A 112 ARG HG2 . 18824 1 1326 . 1 1 109 109 ARG HG3 H 1 1.512 0.05 . 2 . . . A 112 ARG HG3 . 18824 1 1327 . 1 1 109 109 ARG HD2 H 1 3.058 0.05 . 2 . . . A 112 ARG HD2 . 18824 1 1328 . 1 1 109 109 ARG HD3 H 1 3.058 0.05 . 2 . . . A 112 ARG HD3 . 18824 1 1329 . 1 1 109 109 ARG HE H 1 7.432 0.05 . 1 . . . A 112 ARG HE . 18824 1 1330 . 1 1 109 109 ARG HH11 H 1 6.437 0.05 . 2 . . . A 112 ARG HH11 . 18824 1 1331 . 1 1 109 109 ARG HH12 H 1 6.437 0.05 . 2 . . . A 112 ARG HH12 . 18824 1 1332 . 1 1 109 109 ARG HH21 H 1 6.680 0.05 . 2 . . . A 112 ARG HH21 . 18824 1 1333 . 1 1 109 109 ARG HH22 H 1 6.680 0.05 . 2 . . . A 112 ARG HH22 . 18824 1 1334 . 1 1 109 109 ARG C C 13 176.246 0.50 . 1 . . . A 112 ARG C . 18824 1 1335 . 1 1 109 109 ARG CA C 13 56.180 0.50 . 1 . . . A 112 ARG CA . 18824 1 1336 . 1 1 109 109 ARG CB C 13 30.340 0.50 . 1 . . . A 112 ARG CB . 18824 1 1337 . 1 1 109 109 ARG CG C 13 26.765 0.50 . 1 . . . A 112 ARG CG . 18824 1 1338 . 1 1 109 109 ARG CD C 13 43.005 0.50 . 1 . . . A 112 ARG CD . 18824 1 1339 . 1 1 109 109 ARG N N 15 119.231 0.10 . 1 . . . A 112 ARG N . 18824 1 1340 . 1 1 109 109 ARG NE N 15 83.430 0.10 . 1 . . . A 112 ARG NE . 18824 1 1341 . 1 1 110 110 ALA H H 1 7.954 0.05 . 1 . . . A 113 ALA H . 18824 1 1342 . 1 1 110 110 ALA HA H 1 4.139 0.05 . 1 . . . A 113 ALA HA . 18824 1 1343 . 1 1 110 110 ALA HB1 H 1 1.298 0.05 . 1 . . . A 113 ALA HB1 . 18824 1 1344 . 1 1 110 110 ALA HB2 H 1 1.298 0.05 . 1 . . . A 113 ALA HB2 . 18824 1 1345 . 1 1 110 110 ALA HB3 H 1 1.298 0.05 . 1 . . . A 113 ALA HB3 . 18824 1 1346 . 1 1 110 110 ALA C C 13 177.783 0.50 . 1 . . . A 113 ALA C . 18824 1 1347 . 1 1 110 110 ALA CA C 13 52.649 0.50 . 1 . . . A 113 ALA CA . 18824 1 1348 . 1 1 110 110 ALA CB C 13 18.618 0.50 . 1 . . . A 113 ALA CB . 18824 1 1349 . 1 1 110 110 ALA N N 15 123.896 0.10 . 1 . . . A 113 ALA N . 18824 1 1350 . 1 1 111 111 GLN H H 1 8.121 0.05 . 1 . . . A 114 GLN H . 18824 1 1351 . 1 1 111 111 GLN HA H 1 4.159 0.05 . 1 . . . A 114 GLN HA . 18824 1 1352 . 1 1 111 111 GLN HB2 H 1 1.853 0.05 . 2 . . . A 114 GLN HB2 . 18824 1 1353 . 1 1 111 111 GLN HB3 H 1 1.996 0.05 . 2 . . . A 114 GLN HB3 . 18824 1 1354 . 1 1 111 111 GLN HG2 H 1 2.258 0.05 . 2 . . . A 114 GLN HG2 . 18824 1 1355 . 1 1 111 111 GLN HE21 H 1 6.784 0.05 . 2 . . . A 114 GLN HE21 . 18824 1 1356 . 1 1 111 111 GLN HE22 H 1 7.482 0.05 . 2 . . . A 114 GLN HE22 . 18824 1 1357 . 1 1 111 111 GLN C C 13 175.815 0.50 . 1 . . . A 114 GLN C . 18824 1 1358 . 1 1 111 111 GLN CA C 13 55.551 0.50 . 1 . . . A 114 GLN CA . 18824 1 1359 . 1 1 111 111 GLN CB C 13 29.023 0.50 . 1 . . . A 114 GLN CB . 18824 1 1360 . 1 1 111 111 GLN CG C 13 33.337 0.50 . 1 . . . A 114 GLN CG . 18824 1 1361 . 1 1 111 111 GLN N N 15 118.555 0.10 . 1 . . . A 114 GLN N . 18824 1 1362 . 1 1 111 111 GLN NE2 N 15 112.715 0.10 . 1 . . . A 114 GLN NE2 . 18824 1 1363 . 1 1 112 112 GLU H H 1 8.164 0.05 . 1 . . . A 115 GLU H . 18824 1 1364 . 1 1 112 112 GLU HA H 1 4.130 0.05 . 1 . . . A 115 GLU HA . 18824 1 1365 . 1 1 112 112 GLU HB2 H 1 1.793 0.05 . 2 . . . A 115 GLU HB2 . 18824 1 1366 . 1 1 112 112 GLU HB3 H 1 1.900 0.05 . 2 . . . A 115 GLU HB3 . 18824 1 1367 . 1 1 112 112 GLU HG2 H 1 2.136 0.05 . 2 . . . A 115 GLU HG2 . 18824 1 1368 . 1 1 112 112 GLU HG3 H 1 2.133 0.05 . 2 . . . A 115 GLU HG3 . 18824 1 1369 . 1 1 112 112 GLU C C 13 175.637 0.50 . 1 . . . A 115 GLU C . 18824 1 1370 . 1 1 112 112 GLU CA C 13 55.779 0.50 . 1 . . . A 115 GLU CA . 18824 1 1371 . 1 1 112 112 GLU CB C 13 30.038 0.50 . 1 . . . A 115 GLU CB . 18824 1 1372 . 1 1 112 112 GLU CG C 13 35.870 0.50 . 1 . . . A 115 GLU CG . 18824 1 1373 . 1 1 112 112 GLU N N 15 121.589 0.10 . 1 . . . A 115 GLU N . 18824 1 1374 . 1 1 113 113 ALA H H 1 8.266 0.05 . 1 . . . A 116 ALA H . 18824 1 1375 . 1 1 113 113 ALA HA H 1 4.459 0.05 . 1 . . . A 116 ALA HA . 18824 1 1376 . 1 1 113 113 ALA HB1 H 1 1.227 0.05 . 1 . . . A 116 ALA HB1 . 18824 1 1377 . 1 1 113 113 ALA HB2 H 1 1.227 0.05 . 1 . . . A 116 ALA HB2 . 18824 1 1378 . 1 1 113 113 ALA HB3 H 1 1.227 0.05 . 1 . . . A 116 ALA HB3 . 18824 1 1379 . 1 1 113 113 ALA CA C 13 50.094 0.50 . 1 . . . A 116 ALA CA . 18824 1 1380 . 1 1 113 113 ALA CB C 13 17.622 0.50 . 1 . . . A 116 ALA CB . 18824 1 1381 . 1 1 113 113 ALA N N 15 126.435 0.10 . 1 . . . A 116 ALA N . 18824 1 1382 . 1 1 114 114 PRO HA H 1 4.304 0.05 . 1 . . . A 117 PRO HA . 18824 1 1383 . 1 1 114 114 PRO HB2 H 1 1.826 0.05 . 2 . . . A 117 PRO HB2 . 18824 1 1384 . 1 1 114 114 PRO HB3 H 1 2.177 0.05 . 2 . . . A 117 PRO HB3 . 18824 1 1385 . 1 1 114 114 PRO HG2 H 1 1.908 0.05 . 2 . . . A 117 PRO HG2 . 18824 1 1386 . 1 1 114 114 PRO HG3 H 1 1.908 0.05 . 2 . . . A 117 PRO HG3 . 18824 1 1387 . 1 1 114 114 PRO HD2 H 1 3.531 0.05 . 2 . . . A 117 PRO HD2 . 18824 1 1388 . 1 1 114 114 PRO HD3 H 1 3.665 0.05 . 2 . . . A 117 PRO HD3 . 18824 1 1389 . 1 1 114 114 PRO C C 13 177.580 0.50 . 1 . . . A 117 PRO C . 18824 1 1390 . 1 1 114 114 PRO CA C 13 62.789 0.50 . 1 . . . A 117 PRO CA . 18824 1 1391 . 1 1 114 114 PRO CB C 13 31.812 0.50 . 1 . . . A 117 PRO CB . 18824 1 1392 . 1 1 114 114 PRO CG C 13 26.745 0.50 . 1 . . . A 117 PRO CG . 18824 1 1393 . 1 1 114 114 PRO CD C 13 50.121 0.50 . 1 . . . A 117 PRO CD . 18824 1 1394 . 1 1 115 115 GLY H H 1 8.425 0.05 . 1 . . . A 118 GLY H . 18824 1 1395 . 1 1 115 115 GLY HA2 H 1 3.785 0.05 . 2 . . . A 118 GLY HA2 . 18824 1 1396 . 1 1 115 115 GLY HA3 H 1 3.848 0.05 . 2 . . . A 118 GLY HA3 . 18824 1 1397 . 1 1 115 115 GLY C C 13 173.872 0.50 . 1 . . . A 118 GLY C . 18824 1 1398 . 1 1 115 115 GLY CA C 13 45.014 0.50 . 1 . . . A 118 GLY CA . 18824 1 1399 . 1 1 115 115 GLY N N 15 109.304 0.10 . 1 . . . A 118 GLY N . 18824 1 1400 . 1 1 116 116 GLN H H 1 8.081 0.05 . 1 . . . A 119 GLN H . 18824 1 1401 . 1 1 116 116 GLN HA H 1 4.214 0.05 . 1 . . . A 119 GLN HA . 18824 1 1402 . 1 1 116 116 GLN HB2 H 1 1.862 0.05 . 2 . . . A 119 GLN HB2 . 18824 1 1403 . 1 1 116 116 GLN HB3 H 1 2.010 0.05 . 2 . . . A 119 GLN HB3 . 18824 1 1404 . 1 1 116 116 GLN HG2 H 1 2.210 0.05 . 2 . . . A 119 GLN HG2 . 18824 1 1405 . 1 1 116 116 GLN HG3 H 1 2.210 0.05 . 2 . . . A 119 GLN HG3 . 18824 1 1406 . 1 1 116 116 GLN HE21 H 1 6.786 0.05 . 2 . . . A 119 GLN HE21 . 18824 1 1407 . 1 1 116 116 GLN HE22 H 1 7.565 0.05 . 2 . . . A 119 GLN HE22 . 18824 1 1408 . 1 1 116 116 GLN C C 13 174.692 0.50 . 1 . . . A 119 GLN C . 18824 1 1409 . 1 1 116 116 GLN CA C 13 55.442 0.50 . 1 . . . A 119 GLN CA . 18824 1 1410 . 1 1 116 116 GLN CB C 13 29.308 0.50 . 1 . . . A 119 GLN CB . 18824 1 1411 . 1 1 116 116 GLN CG C 13 33.497 0.50 . 1 . . . A 119 GLN CG . 18824 1 1412 . 1 1 116 116 GLN N N 15 120.070 0.10 . 1 . . . A 119 GLN N . 18824 1 1413 . 1 1 116 116 GLN NE2 N 15 113.178 0.10 . 1 . . . A 119 GLN NE2 . 18824 1 1414 . 1 1 117 117 ALA H H 1 8.001 0.05 . 1 . . . A 120 ALA H . 18824 1 1415 . 1 1 117 117 ALA HA H 1 4.001 0.05 . 1 . . . A 120 ALA HA . 18824 1 1416 . 1 1 117 117 ALA HB1 H 1 1.207 0.05 . 1 . . . A 120 ALA HB1 . 18824 1 1417 . 1 1 117 117 ALA HB2 H 1 1.207 0.05 . 1 . . . A 120 ALA HB2 . 18824 1 1418 . 1 1 117 117 ALA HB3 H 1 1.207 0.05 . 1 . . . A 120 ALA HB3 . 18824 1 1419 . 1 1 117 117 ALA CA C 13 53.656 0.50 . 1 . . . A 120 ALA CA . 18824 1 1420 . 1 1 117 117 ALA CB C 13 19.716 0.50 . 1 . . . A 120 ALA CB . 18824 1 1421 . 1 1 117 117 ALA N N 15 131.476 0.10 . 1 . . . A 120 ALA N . 18824 1 stop_ save_