data_25577 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25577 _Entry.Title ; Solution structure of human SUMO2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-24 _Entry.Accession_date 2015-04-24 _Entry.Last_release_date 2016-04-18 _Entry.Original_release_date 2016-04-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'Solution structure of Small Ubiquitin-related MOdifier 2.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mandar Naik . T. . . 25577 2 Nandita Naik . . . . 25577 3 Hsiu-Ming Shih . . . . 25577 4 Tai-huang Huang . . . . 25577 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' . 25577 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SUMO . 25577 'Ubiquitin-like protein' . 25577 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25577 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 25577 '15N chemical shifts' 106 25577 '1H chemical shifts' 666 25577 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-04-18 . original BMRB . 25577 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25576 'human SUMO1' 25577 BMRB 6801 'human SUMO-2' 25577 PDB 1WM3 . 25577 PDB 2N1W 'BMRB Entry Tracking System' 25577 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25577 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structures of human SUMO ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mandar Naik . T. . . 25577 1 2 Nandita Naik . . . . 25577 1 3 Hsiu-Ming Shih . . . . 25577 1 4 Tai-huang Huang . . . . 25577 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25577 _Assembly.ID 1 _Assembly.Name 'human SUMO2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'human SUMO2' 1 $SUMO2 A . yes native no no . . . 25577 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SUMO2 _Entity.Sf_category entity _Entity.Sf_framecode SUMO2 _Entity.Entry_ID 25577 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SUMO2 _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 ; MGSSHHHHHHSQDPMADEKP KEGVKTENNDHINLKVAGQD GSVVQFKIKRHTPLSKLMKA YCERQGLSMRQIRFRFDGQP INETDTPAQLEMEDEDTIDV FQQQTGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-14 (MGSSHHHHHHSQDP) represent a non-native purification tag. These residues were neither assigned nor included in structure calculation. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Mature SUMO2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11149.640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UNP P61956 . . . . . . . . . . . . . . . . 25577 1 . yes PDB 1WM3 . . . . . . . . . . . . . . . . 25577 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 -13 MET . 25577 1 2 -12 GLY . 25577 1 3 -11 SER . 25577 1 4 -10 SER . 25577 1 5 -9 HIS . 25577 1 6 -8 HIS . 25577 1 7 -7 HIS . 25577 1 8 -6 HIS . 25577 1 9 -5 HIS . 25577 1 10 -4 HIS . 25577 1 11 -3 SER . 25577 1 12 -2 GLN . 25577 1 13 -1 ASP . 25577 1 14 0 PRO . 25577 1 15 1 MET . 25577 1 16 2 ALA . 25577 1 17 3 ASP . 25577 1 18 4 GLU . 25577 1 19 5 LYS . 25577 1 20 6 PRO . 25577 1 21 7 LYS . 25577 1 22 8 GLU . 25577 1 23 9 GLY . 25577 1 24 10 VAL . 25577 1 25 11 LYS . 25577 1 26 12 THR . 25577 1 27 13 GLU . 25577 1 28 14 ASN . 25577 1 29 15 ASN . 25577 1 30 16 ASP . 25577 1 31 17 HIS . 25577 1 32 18 ILE . 25577 1 33 19 ASN . 25577 1 34 20 LEU . 25577 1 35 21 LYS . 25577 1 36 22 VAL . 25577 1 37 23 ALA . 25577 1 38 24 GLY . 25577 1 39 25 GLN . 25577 1 40 26 ASP . 25577 1 41 27 GLY . 25577 1 42 28 SER . 25577 1 43 29 VAL . 25577 1 44 30 VAL . 25577 1 45 31 GLN . 25577 1 46 32 PHE . 25577 1 47 33 LYS . 25577 1 48 34 ILE . 25577 1 49 35 LYS . 25577 1 50 36 ARG . 25577 1 51 37 HIS . 25577 1 52 38 THR . 25577 1 53 39 PRO . 25577 1 54 40 LEU . 25577 1 55 41 SER . 25577 1 56 42 LYS . 25577 1 57 43 LEU . 25577 1 58 44 MET . 25577 1 59 45 LYS . 25577 1 60 46 ALA . 25577 1 61 47 TYR . 25577 1 62 48 CYS . 25577 1 63 49 GLU . 25577 1 64 50 ARG . 25577 1 65 51 GLN . 25577 1 66 52 GLY . 25577 1 67 53 LEU . 25577 1 68 54 SER . 25577 1 69 55 MET . 25577 1 70 56 ARG . 25577 1 71 57 GLN . 25577 1 72 58 ILE . 25577 1 73 59 ARG . 25577 1 74 60 PHE . 25577 1 75 61 ARG . 25577 1 76 62 PHE . 25577 1 77 63 ASP . 25577 1 78 64 GLY . 25577 1 79 65 GLN . 25577 1 80 66 PRO . 25577 1 81 67 ILE . 25577 1 82 68 ASN . 25577 1 83 69 GLU . 25577 1 84 70 THR . 25577 1 85 71 ASP . 25577 1 86 72 THR . 25577 1 87 73 PRO . 25577 1 88 74 ALA . 25577 1 89 75 GLN . 25577 1 90 76 LEU . 25577 1 91 77 GLU . 25577 1 92 78 MET . 25577 1 93 79 GLU . 25577 1 94 80 ASP . 25577 1 95 81 GLU . 25577 1 96 82 ASP . 25577 1 97 83 THR . 25577 1 98 84 ILE . 25577 1 99 85 ASP . 25577 1 100 86 VAL . 25577 1 101 87 PHE . 25577 1 102 88 GLN . 25577 1 103 89 GLN . 25577 1 104 90 GLN . 25577 1 105 91 THR . 25577 1 106 92 GLY . 25577 1 107 93 GLY . 25577 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25577 1 . GLY 2 2 25577 1 . SER 3 3 25577 1 . SER 4 4 25577 1 . HIS 5 5 25577 1 . HIS 6 6 25577 1 . HIS 7 7 25577 1 . HIS 8 8 25577 1 . HIS 9 9 25577 1 . HIS 10 10 25577 1 . SER 11 11 25577 1 . GLN 12 12 25577 1 . ASP 13 13 25577 1 . PRO 14 14 25577 1 . MET 15 15 25577 1 . ALA 16 16 25577 1 . ASP 17 17 25577 1 . GLU 18 18 25577 1 . LYS 19 19 25577 1 . PRO 20 20 25577 1 . LYS 21 21 25577 1 . GLU 22 22 25577 1 . GLY 23 23 25577 1 . VAL 24 24 25577 1 . LYS 25 25 25577 1 . THR 26 26 25577 1 . GLU 27 27 25577 1 . ASN 28 28 25577 1 . ASN 29 29 25577 1 . ASP 30 30 25577 1 . HIS 31 31 25577 1 . ILE 32 32 25577 1 . ASN 33 33 25577 1 . LEU 34 34 25577 1 . LYS 35 35 25577 1 . VAL 36 36 25577 1 . ALA 37 37 25577 1 . GLY 38 38 25577 1 . GLN 39 39 25577 1 . ASP 40 40 25577 1 . GLY 41 41 25577 1 . SER 42 42 25577 1 . VAL 43 43 25577 1 . VAL 44 44 25577 1 . GLN 45 45 25577 1 . PHE 46 46 25577 1 . LYS 47 47 25577 1 . ILE 48 48 25577 1 . LYS 49 49 25577 1 . ARG 50 50 25577 1 . HIS 51 51 25577 1 . THR 52 52 25577 1 . PRO 53 53 25577 1 . LEU 54 54 25577 1 . SER 55 55 25577 1 . LYS 56 56 25577 1 . LEU 57 57 25577 1 . MET 58 58 25577 1 . LYS 59 59 25577 1 . ALA 60 60 25577 1 . TYR 61 61 25577 1 . CYS 62 62 25577 1 . GLU 63 63 25577 1 . ARG 64 64 25577 1 . GLN 65 65 25577 1 . GLY 66 66 25577 1 . LEU 67 67 25577 1 . SER 68 68 25577 1 . MET 69 69 25577 1 . ARG 70 70 25577 1 . GLN 71 71 25577 1 . ILE 72 72 25577 1 . ARG 73 73 25577 1 . PHE 74 74 25577 1 . ARG 75 75 25577 1 . PHE 76 76 25577 1 . ASP 77 77 25577 1 . GLY 78 78 25577 1 . GLN 79 79 25577 1 . PRO 80 80 25577 1 . ILE 81 81 25577 1 . ASN 82 82 25577 1 . GLU 83 83 25577 1 . THR 84 84 25577 1 . ASP 85 85 25577 1 . THR 86 86 25577 1 . PRO 87 87 25577 1 . ALA 88 88 25577 1 . GLN 89 89 25577 1 . LEU 90 90 25577 1 . GLU 91 91 25577 1 . MET 92 92 25577 1 . GLU 93 93 25577 1 . ASP 94 94 25577 1 . GLU 95 95 25577 1 . ASP 96 96 25577 1 . THR 97 97 25577 1 . ILE 98 98 25577 1 . ASP 99 99 25577 1 . VAL 100 100 25577 1 . PHE 101 101 25577 1 . GLN 102 102 25577 1 . GLN 103 103 25577 1 . GLN 104 104 25577 1 . THR 105 105 25577 1 . GLY 106 106 25577 1 . GLY 107 107 25577 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 25577 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SUMO2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SUMO2 'Mature form of Small Ubiquitin-related MOdifier 2.' 25577 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 25577 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SUMO2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pCDFDuet-1 . . 'Plasmid pCDF PylT-1 with SUMO2 insert and pAcKRS-3 as described in Neumann et al., Mol Cell, 36, 153, 2009' 25577 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN _Sample.Sf_category sample _Sample.Sf_framecode CN _Sample.Entry_ID 25577 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N SUMO2' _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 SUMO2 '[U-100% 13C; U-100% 15N]' . . 1 $SUMO2 . . . 0.5 1 mM 0.05 . . . 25577 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25577 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25577 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25577 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25577 1 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25577 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25577 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25577 1 stop_ save_ save_N _Sample.Sf_category sample _Sample.Sf_framecode N _Sample.Entry_ID 25577 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N SUMO2' _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 SUMO2 '[U-100% 15N]' . . 1 $SUMO2 . . . 0.5 1 mM 0.05 . . . 25577 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25577 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25577 2 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25577 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25577 2 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25577 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25577 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25577 2 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 25577 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N SUMO2 in Pf1 phage alignment medium.' _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 SUMO2 '[U-100% 15N]' . . 1 $SUMO2 . . . 0.5 1 mM 0.05 . . . 25577 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25577 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25577 3 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25577 3 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25577 3 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25577 3 7 'Pf1 phage' 'natural abundance' . . . . . . 10 . . w/v 0.1 . . . 25577 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25577 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25577 3 stop_ save_ save_Unlabeled _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled _Sample.Entry_ID 25577 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details SUMO2 _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 SUMO2 'natural abundance' . . 1 $SUMO2 . . . 0.5 1 mM 0.05 . . . 25577 4 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 25577 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 25577 4 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 25577 4 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM 0.005 . . . 25577 4 6 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % 0.001 . . . 25577 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25577 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25577 4 stop_ save_ ####################### # Sample conditions # ####################### save_Default _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Default _Sample_condition_list.Entry_ID 25577 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR data was acquired in shigemi tubes.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 25577 1 pressure 1 . atm 25577 1 temperature 290 0.1 K 25577 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25577 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25577 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25577 1 processing 25577 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25577 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25577 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25577 2 'data analysis' 25577 2 'peak picking' 25577 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25577 _Software.ID 3 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25577 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25577 3 'structure solution' 25577 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25577 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25577 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25577 4 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 25577 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25577 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25577 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25577 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25577 _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 . 500 . . . 25577 1 2 spectrometer_2 Bruker Avance . 600 . . . 25577 1 3 spectrometer_3 Bruker Avance . 800 . . . 25577 1 4 spectrometer_4 Bruker Avance . 850 . . . 25577 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 25577 _Experiment_list.ID 1 _Experiment_list.Details 'NMR data was acquired at 295K using Shigemi NMR tubes.' 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 . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25577 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25577 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 4 '3D HNCA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 6 '3D HNCACB' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 10 '3D HBHAcoNH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 11 2D-hbCBcgcdHD no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 12 2D-hbCBcgcdceHE no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25577 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25577 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25577 1 17 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 3 $Phage anisotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25577 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 25577 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25577 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25577 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 25577 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 25577 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Default _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Tolerance value used in automated NOESY assignments.' _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' . . . 25577 1 2 '2D 1H-13C HSQC' . . . 25577 1 3 '3D HNCO' . . . 25577 1 4 '3D HNCA' . . . 25577 1 5 '3D HN(CO)CA' . . . 25577 1 6 '3D HNCACB' . . . 25577 1 7 '3D CBCA(CO)NH' . . . 25577 1 8 '3D HCCH-TOCSY' . . . 25577 1 9 '3D HCCH-COSY' . . . 25577 1 10 '3D HBHAcoNH' . . . 25577 1 11 2D-hbCBcgcdHD . . . 25577 1 12 2D-hbCBcgcdceHE . . . 25577 1 13 '3D 1H-15N TOCSY' . . . 25577 1 15 '3D 1H-15N NOESY' . . . 25577 1 16 '3D 1H-13C NOESY' . . . 25577 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25577 1 2 $SPARKY . . 25577 1 3 $CYANA . . 25577 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 15 15 MET H H 1 8.467 0.020 . 1 . . . A 1 MET H . 25577 1 2 . 1 1 15 15 MET HA H 1 4.420 0.020 . 1 . . . A 1 MET HA . 25577 1 3 . 1 1 15 15 MET HB2 H 1 1.979 0.020 . 2 . . . A 1 MET HB2 . 25577 1 4 . 1 1 15 15 MET HB3 H 1 2.081 0.020 . 2 . . . A 1 MET HB3 . 25577 1 5 . 1 1 15 15 MET HG2 H 1 2.479 0.020 . 2 . . . A 1 MET HG2 . 25577 1 6 . 1 1 15 15 MET HG3 H 1 2.608 0.020 . 2 . . . A 1 MET HG3 . 25577 1 7 . 1 1 15 15 MET HE1 H 1 2.059 0.020 . 1 . . . A 1 MET HE1 . 25577 1 8 . 1 1 15 15 MET HE2 H 1 2.059 0.020 . 1 . . . A 1 MET HE2 . 25577 1 9 . 1 1 15 15 MET HE3 H 1 2.059 0.020 . 1 . . . A 1 MET HE3 . 25577 1 10 . 1 1 15 15 MET C C 13 176.420 0.400 . 1 . . . A 1 MET C . 25577 1 11 . 1 1 15 15 MET CA C 13 55.240 0.400 . 1 . . . A 1 MET CA . 25577 1 12 . 1 1 15 15 MET CB C 13 32.992 0.400 . 1 . . . A 1 MET CB . 25577 1 13 . 1 1 15 15 MET CG C 13 32.220 0.400 . 1 . . . A 1 MET CG . 25577 1 14 . 1 1 15 15 MET CE C 13 17.004 0.400 . 1 . . . A 1 MET CE . 25577 1 15 . 1 1 15 15 MET N N 15 118.819 0.400 . 1 . . . A 1 MET N . 25577 1 16 . 1 1 16 16 ALA H H 1 8.017 0.020 . 1 . . . A 2 ALA H . 25577 1 17 . 1 1 16 16 ALA HA H 1 4.216 0.020 . 1 . . . A 2 ALA HA . 25577 1 18 . 1 1 16 16 ALA HB1 H 1 1.371 0.020 . 1 . . . A 2 ALA HB1 . 25577 1 19 . 1 1 16 16 ALA HB2 H 1 1.371 0.020 . 1 . . . A 2 ALA HB2 . 25577 1 20 . 1 1 16 16 ALA HB3 H 1 1.371 0.020 . 1 . . . A 2 ALA HB3 . 25577 1 21 . 1 1 16 16 ALA C C 13 177.451 0.400 . 1 . . . A 2 ALA C . 25577 1 22 . 1 1 16 16 ALA CA C 13 52.851 0.400 . 1 . . . A 2 ALA CA . 25577 1 23 . 1 1 16 16 ALA CB C 13 19.301 0.400 . 1 . . . A 2 ALA CB . 25577 1 24 . 1 1 16 16 ALA N N 15 124.357 0.400 . 1 . . . A 2 ALA N . 25577 1 25 . 1 1 17 17 ASP H H 1 8.240 0.020 . 1 . . . A 3 ASP H . 25577 1 26 . 1 1 17 17 ASP HA H 1 4.542 0.020 . 1 . . . A 3 ASP HA . 25577 1 27 . 1 1 17 17 ASP HB2 H 1 2.551 0.020 . 2 . . . A 3 ASP HB2 . 25577 1 28 . 1 1 17 17 ASP HB3 H 1 2.674 0.020 . 2 . . . A 3 ASP HB3 . 25577 1 29 . 1 1 17 17 ASP C C 13 176.037 0.400 . 1 . . . A 3 ASP C . 25577 1 30 . 1 1 17 17 ASP CA C 13 54.302 0.400 . 1 . . . A 3 ASP CA . 25577 1 31 . 1 1 17 17 ASP CB C 13 41.156 0.400 . 1 . . . A 3 ASP CB . 25577 1 32 . 1 1 17 17 ASP N N 15 119.185 0.400 . 1 . . . A 3 ASP N . 25577 1 33 . 1 1 18 18 GLU H H 1 8.208 0.020 . 1 . . . A 4 GLU H . 25577 1 34 . 1 1 18 18 GLU HA H 1 4.231 0.020 . 1 . . . A 4 GLU HA . 25577 1 35 . 1 1 18 18 GLU HB2 H 1 1.874 0.020 . 2 . . . A 4 GLU HB2 . 25577 1 36 . 1 1 18 18 GLU HB3 H 1 1.954 0.020 . 2 . . . A 4 GLU HB3 . 25577 1 37 . 1 1 18 18 GLU HG2 H 1 2.182 0.020 . 2 . . . A 4 GLU HG2 . 25577 1 38 . 1 1 18 18 GLU HG3 H 1 2.182 0.020 . 2 . . . A 4 GLU HG3 . 25577 1 39 . 1 1 18 18 GLU C C 13 176.194 0.400 . 1 . . . A 4 GLU C . 25577 1 40 . 1 1 18 18 GLU CA C 13 56.263 0.400 . 1 . . . A 4 GLU CA . 25577 1 41 . 1 1 18 18 GLU CB C 13 30.430 0.400 . 1 . . . A 4 GLU CB . 25577 1 42 . 1 1 18 18 GLU CG C 13 36.233 0.400 . 1 . . . A 4 GLU CG . 25577 1 43 . 1 1 18 18 GLU N N 15 121.096 0.400 . 1 . . . A 4 GLU N . 25577 1 44 . 1 1 19 19 LYS H H 1 8.327 0.020 . 1 . . . A 5 LYS H . 25577 1 45 . 1 1 19 19 LYS HA H 1 4.385 0.020 . 1 . . . A 5 LYS HA . 25577 1 46 . 1 1 19 19 LYS HB2 H 1 1.696 0.020 . 2 . . . A 5 LYS HB2 . 25577 1 47 . 1 1 19 19 LYS HB3 H 1 1.696 0.020 . 2 . . . A 5 LYS HB3 . 25577 1 48 . 1 1 19 19 LYS HG2 H 1 1.438 0.020 . 2 . . . A 5 LYS HG2 . 25577 1 49 . 1 1 19 19 LYS HG3 H 1 1.438 0.020 . 2 . . . A 5 LYS HG3 . 25577 1 50 . 1 1 19 19 LYS HD2 H 1 1.706 0.020 . 2 . . . A 5 LYS HD2 . 25577 1 51 . 1 1 19 19 LYS HD3 H 1 1.706 0.020 . 2 . . . A 5 LYS HD3 . 25577 1 52 . 1 1 19 19 LYS HE2 H 1 3.001 0.020 . 2 . . . A 5 LYS HE2 . 25577 1 53 . 1 1 19 19 LYS HE3 H 1 3.001 0.020 . 2 . . . A 5 LYS HE3 . 25577 1 54 . 1 1 19 19 LYS C C 13 174.358 0.400 . 1 . . . A 5 LYS C . 25577 1 55 . 1 1 19 19 LYS CA C 13 54.128 0.400 . 1 . . . A 5 LYS CA . 25577 1 56 . 1 1 19 19 LYS CB C 13 32.221 0.400 . 1 . . . A 5 LYS CB . 25577 1 57 . 1 1 19 19 LYS CG C 13 24.815 0.400 . 1 . . . A 5 LYS CG . 25577 1 58 . 1 1 19 19 LYS CD C 13 29.096 0.400 . 1 . . . A 5 LYS CD . 25577 1 59 . 1 1 19 19 LYS CE C 13 42.202 0.400 . 1 . . . A 5 LYS CE . 25577 1 60 . 1 1 19 19 LYS N N 15 123.984 0.400 . 1 . . . A 5 LYS N . 25577 1 61 . 1 1 20 20 PRO HA H 1 4.381 0.020 . 1 . . . A 6 PRO HA . 25577 1 62 . 1 1 20 20 PRO HB2 H 1 1.828 0.020 . 1 . . . A 6 PRO HB2 . 25577 1 63 . 1 1 20 20 PRO HB3 H 1 2.255 0.020 . 1 . . . A 6 PRO HB3 . 25577 1 64 . 1 1 20 20 PRO HG2 H 1 1.983 0.020 . 2 . . . A 6 PRO HG2 . 25577 1 65 . 1 1 20 20 PRO HG3 H 1 1.983 0.020 . 2 . . . A 6 PRO HG3 . 25577 1 66 . 1 1 20 20 PRO HD2 H 1 3.581 0.020 . 1 . . . A 6 PRO HD2 . 25577 1 67 . 1 1 20 20 PRO HD3 H 1 3.793 0.020 . 1 . . . A 6 PRO HD3 . 25577 1 68 . 1 1 20 20 PRO C C 13 176.951 0.400 . 1 . . . A 6 PRO C . 25577 1 69 . 1 1 20 20 PRO CA C 13 63.660 0.400 . 1 . . . A 6 PRO CA . 25577 1 70 . 1 1 20 20 PRO CB C 13 32.022 0.400 . 1 . . . A 6 PRO CB . 25577 1 71 . 1 1 20 20 PRO CG C 13 27.380 0.400 . 1 . . . A 6 PRO CG . 25577 1 72 . 1 1 20 20 PRO CD C 13 50.668 0.400 . 1 . . . A 6 PRO CD . 25577 1 73 . 1 1 21 21 LYS H H 1 8.534 0.020 . 1 . . . A 7 LYS H . 25577 1 74 . 1 1 21 21 LYS HA H 1 4.222 0.020 . 1 . . . A 7 LYS HA . 25577 1 75 . 1 1 21 21 LYS HB2 H 1 1.720 0.020 . 2 . . . A 7 LYS HB2 . 25577 1 76 . 1 1 21 21 LYS HB3 H 1 1.795 0.020 . 2 . . . A 7 LYS HB3 . 25577 1 77 . 1 1 21 21 LYS HG2 H 1 1.454 0.020 . 2 . . . A 7 LYS HG2 . 25577 1 78 . 1 1 21 21 LYS HG3 H 1 1.454 0.020 . 2 . . . A 7 LYS HG3 . 25577 1 79 . 1 1 21 21 LYS HD2 H 1 1.645 0.020 . 2 . . . A 7 LYS HD2 . 25577 1 80 . 1 1 21 21 LYS HD3 H 1 1.645 0.020 . 2 . . . A 7 LYS HD3 . 25577 1 81 . 1 1 21 21 LYS HE2 H 1 2.947 0.020 . 2 . . . A 7 LYS HE2 . 25577 1 82 . 1 1 21 21 LYS HE3 H 1 2.947 0.020 . 2 . . . A 7 LYS HE3 . 25577 1 83 . 1 1 21 21 LYS C C 13 176.743 0.400 . 1 . . . A 7 LYS C . 25577 1 84 . 1 1 21 21 LYS CA C 13 56.395 0.400 . 1 . . . A 7 LYS CA . 25577 1 85 . 1 1 21 21 LYS CB C 13 32.923 0.400 . 1 . . . A 7 LYS CB . 25577 1 86 . 1 1 21 21 LYS CG C 13 24.778 0.400 . 1 . . . A 7 LYS CG . 25577 1 87 . 1 1 21 21 LYS CD C 13 28.995 0.400 . 1 . . . A 7 LYS CD . 25577 1 88 . 1 1 21 21 LYS CE C 13 42.155 0.400 . 1 . . . A 7 LYS CE . 25577 1 89 . 1 1 21 21 LYS N N 15 122.482 0.400 . 1 . . . A 7 LYS N . 25577 1 90 . 1 1 22 22 GLU H H 1 8.496 0.020 . 1 . . . A 8 GLU H . 25577 1 91 . 1 1 22 22 GLU HA H 1 4.228 0.020 . 1 . . . A 8 GLU HA . 25577 1 92 . 1 1 22 22 GLU HB2 H 1 1.906 0.020 . 2 . . . A 8 GLU HB2 . 25577 1 93 . 1 1 22 22 GLU HB3 H 1 1.906 0.020 . 2 . . . A 8 GLU HB3 . 25577 1 94 . 1 1 22 22 GLU HG2 H 1 2.205 0.020 . 2 . . . A 8 GLU HG2 . 25577 1 95 . 1 1 22 22 GLU HG3 H 1 2.205 0.020 . 2 . . . A 8 GLU HG3 . 25577 1 96 . 1 1 22 22 GLU C C 13 176.850 0.400 . 1 . . . A 8 GLU C . 25577 1 97 . 1 1 22 22 GLU CA C 13 56.473 0.400 . 1 . . . A 8 GLU CA . 25577 1 98 . 1 1 22 22 GLU CB C 13 30.307 0.400 . 1 . . . A 8 GLU CB . 25577 1 99 . 1 1 22 22 GLU CG C 13 36.233 0.400 . 1 . . . A 8 GLU CG . 25577 1 100 . 1 1 22 22 GLU N N 15 122.135 0.400 . 1 . . . A 8 GLU N . 25577 1 101 . 1 1 23 23 GLY H H 1 8.479 0.020 . 1 . . . A 9 GLY H . 25577 1 102 . 1 1 23 23 GLY HA2 H 1 3.931 0.020 . 2 . . . A 9 GLY HA2 . 25577 1 103 . 1 1 23 23 GLY HA3 H 1 3.931 0.020 . 2 . . . A 9 GLY HA3 . 25577 1 104 . 1 1 23 23 GLY C C 13 173.903 0.400 . 1 . . . A 9 GLY C . 25577 1 105 . 1 1 23 23 GLY CA C 13 45.244 0.400 . 1 . . . A 9 GLY CA . 25577 1 106 . 1 1 23 23 GLY N N 15 110.369 0.400 . 1 . . . A 9 GLY N . 25577 1 107 . 1 1 24 24 VAL H H 1 7.990 0.020 . 1 . . . A 10 VAL H . 25577 1 108 . 1 1 24 24 VAL HA H 1 4.066 0.020 . 1 . . . A 10 VAL HA . 25577 1 109 . 1 1 24 24 VAL HB H 1 2.022 0.020 . 1 . . . A 10 VAL HB . 25577 1 110 . 1 1 24 24 VAL HG11 H 1 0.887 0.020 . 2 . . . A 10 VAL HG11 . 25577 1 111 . 1 1 24 24 VAL HG12 H 1 0.887 0.020 . 2 . . . A 10 VAL HG12 . 25577 1 112 . 1 1 24 24 VAL HG13 H 1 0.887 0.020 . 2 . . . A 10 VAL HG13 . 25577 1 113 . 1 1 24 24 VAL HG21 H 1 0.887 0.020 . 2 . . . A 10 VAL HG21 . 25577 1 114 . 1 1 24 24 VAL HG22 H 1 0.887 0.020 . 2 . . . A 10 VAL HG22 . 25577 1 115 . 1 1 24 24 VAL HG23 H 1 0.887 0.020 . 2 . . . A 10 VAL HG23 . 25577 1 116 . 1 1 24 24 VAL C C 13 176.228 0.400 . 1 . . . A 10 VAL C . 25577 1 117 . 1 1 24 24 VAL CA C 13 62.286 0.400 . 1 . . . A 10 VAL CA . 25577 1 118 . 1 1 24 24 VAL CB C 13 32.727 0.400 . 1 . . . A 10 VAL CB . 25577 1 119 . 1 1 24 24 VAL CG1 C 13 21.157 0.400 . 1 . . . A 10 VAL CG1 . 25577 1 120 . 1 1 24 24 VAL CG2 C 13 20.644 0.400 . 1 . . . A 10 VAL CG2 . 25577 1 121 . 1 1 24 24 VAL N N 15 119.650 0.400 . 1 . . . A 10 VAL N . 25577 1 122 . 1 1 25 25 LYS H H 1 8.543 0.020 . 1 . . . A 11 LYS H . 25577 1 123 . 1 1 25 25 LYS HA H 1 4.389 0.020 . 1 . . . A 11 LYS HA . 25577 1 124 . 1 1 25 25 LYS HB2 H 1 1.811 0.020 . 2 . . . A 11 LYS HB2 . 25577 1 125 . 1 1 25 25 LYS HB3 H 1 1.730 0.020 . 2 . . . A 11 LYS HB3 . 25577 1 126 . 1 1 25 25 LYS HG2 H 1 1.381 0.020 . 2 . . . A 11 LYS HG2 . 25577 1 127 . 1 1 25 25 LYS HG3 H 1 1.381 0.020 . 2 . . . A 11 LYS HG3 . 25577 1 128 . 1 1 25 25 LYS HD2 H 1 1.645 0.020 . 2 . . . A 11 LYS HD2 . 25577 1 129 . 1 1 25 25 LYS HD3 H 1 1.645 0.020 . 2 . . . A 11 LYS HD3 . 25577 1 130 . 1 1 25 25 LYS HE2 H 1 2.936 0.020 . 2 . . . A 11 LYS HE2 . 25577 1 131 . 1 1 25 25 LYS HE3 H 1 2.936 0.020 . 2 . . . A 11 LYS HE3 . 25577 1 132 . 1 1 25 25 LYS C C 13 176.694 0.400 . 1 . . . A 11 LYS C . 25577 1 133 . 1 1 25 25 LYS CA C 13 56.141 0.400 . 1 . . . A 11 LYS CA . 25577 1 134 . 1 1 25 25 LYS CB C 13 32.958 0.400 . 1 . . . A 11 LYS CB . 25577 1 135 . 1 1 25 25 LYS CG C 13 24.766 0.400 . 1 . . . A 11 LYS CG . 25577 1 136 . 1 1 25 25 LYS CD C 13 28.912 0.400 . 1 . . . A 11 LYS CD . 25577 1 137 . 1 1 25 25 LYS CE C 13 42.155 0.400 . 1 . . . A 11 LYS CE . 25577 1 138 . 1 1 25 25 LYS N N 15 126.003 0.400 . 1 . . . A 11 LYS N . 25577 1 139 . 1 1 26 26 THR H H 1 8.269 0.020 . 1 . . . A 12 THR H . 25577 1 140 . 1 1 26 26 THR HA H 1 4.262 0.020 . 1 . . . A 12 THR HA . 25577 1 141 . 1 1 26 26 THR HB H 1 4.162 0.020 . 1 . . . A 12 THR HB . 25577 1 142 . 1 1 26 26 THR HG21 H 1 1.151 0.020 . 1 . . . A 12 THR HG21 . 25577 1 143 . 1 1 26 26 THR HG22 H 1 1.151 0.020 . 1 . . . A 12 THR HG22 . 25577 1 144 . 1 1 26 26 THR HG23 H 1 1.151 0.020 . 1 . . . A 12 THR HG23 . 25577 1 145 . 1 1 26 26 THR C C 13 174.495 0.400 . 1 . . . A 12 THR C . 25577 1 146 . 1 1 26 26 THR CA C 13 61.914 0.400 . 1 . . . A 12 THR CA . 25577 1 147 . 1 1 26 26 THR CB C 13 69.737 0.400 . 1 . . . A 12 THR CB . 25577 1 148 . 1 1 26 26 THR CG2 C 13 21.642 0.400 . 1 . . . A 12 THR CG2 . 25577 1 149 . 1 1 26 26 THR N N 15 116.466 0.400 . 1 . . . A 12 THR N . 25577 1 150 . 1 1 27 27 GLU H H 1 8.520 0.020 . 1 . . . A 13 GLU H . 25577 1 151 . 1 1 27 27 GLU HA H 1 4.260 0.020 . 1 . . . A 13 GLU HA . 25577 1 152 . 1 1 27 27 GLU HB2 H 1 1.893 0.020 . 2 . . . A 13 GLU HB2 . 25577 1 153 . 1 1 27 27 GLU HB3 H 1 1.893 0.020 . 2 . . . A 13 GLU HB3 . 25577 1 154 . 1 1 27 27 GLU HG2 H 1 2.231 0.020 . 2 . . . A 13 GLU HG2 . 25577 1 155 . 1 1 27 27 GLU HG3 H 1 2.231 0.020 . 2 . . . A 13 GLU HG3 . 25577 1 156 . 1 1 27 27 GLU C C 13 175.984 0.400 . 1 . . . A 13 GLU C . 25577 1 157 . 1 1 27 27 GLU CA C 13 56.475 0.400 . 1 . . . A 13 GLU CA . 25577 1 158 . 1 1 27 27 GLU CB C 13 30.476 0.400 . 1 . . . A 13 GLU CB . 25577 1 159 . 1 1 27 27 GLU CG C 13 36.167 0.400 . 1 . . . A 13 GLU CG . 25577 1 160 . 1 1 27 27 GLU N N 15 123.263 0.400 . 1 . . . A 13 GLU N . 25577 1 161 . 1 1 28 28 ASN H H 1 8.544 0.020 . 1 . . . A 14 ASN H . 25577 1 162 . 1 1 28 28 ASN HA H 1 4.922 0.020 . 1 . . . A 14 ASN HA . 25577 1 163 . 1 1 28 28 ASN HB2 H 1 2.614 0.020 . 2 . . . A 14 ASN HB2 . 25577 1 164 . 1 1 28 28 ASN HB3 H 1 2.869 0.020 . 2 . . . A 14 ASN HB3 . 25577 1 165 . 1 1 28 28 ASN HD21 H 1 6.981 0.020 . 1 . . . A 14 ASN HD21 . 25577 1 166 . 1 1 28 28 ASN HD22 H 1 7.585 0.020 . 1 . . . A 14 ASN HD22 . 25577 1 167 . 1 1 28 28 ASN C C 13 174.762 0.400 . 1 . . . A 14 ASN C . 25577 1 168 . 1 1 28 28 ASN CA C 13 52.976 0.400 . 1 . . . A 14 ASN CA . 25577 1 169 . 1 1 28 28 ASN CB C 13 38.747 0.400 . 1 . . . A 14 ASN CB . 25577 1 170 . 1 1 28 28 ASN N N 15 120.049 0.400 . 1 . . . A 14 ASN N . 25577 1 171 . 1 1 28 28 ASN ND2 N 15 111.874 0.400 . 1 . . . A 14 ASN ND2 . 25577 1 172 . 1 1 29 29 ASN H H 1 8.640 0.020 . 1 . . . A 15 ASN H . 25577 1 173 . 1 1 29 29 ASN HA H 1 4.638 0.020 . 1 . . . A 15 ASN HA . 25577 1 174 . 1 1 29 29 ASN HB2 H 1 2.793 0.020 . 2 . . . A 15 ASN HB2 . 25577 1 175 . 1 1 29 29 ASN HB3 H 1 2.793 0.020 . 2 . . . A 15 ASN HB3 . 25577 1 176 . 1 1 29 29 ASN HD21 H 1 7.661 0.020 . 2 . . . A 15 ASN HD21 . 25577 1 177 . 1 1 29 29 ASN HD22 H 1 6.936 0.020 . 2 . . . A 15 ASN HD22 . 25577 1 178 . 1 1 29 29 ASN C C 13 174.866 0.400 . 1 . . . A 15 ASN C . 25577 1 179 . 1 1 29 29 ASN CA C 13 53.310 0.400 . 1 . . . A 15 ASN CA . 25577 1 180 . 1 1 29 29 ASN CB C 13 39.038 0.400 . 1 . . . A 15 ASN CB . 25577 1 181 . 1 1 29 29 ASN N N 15 120.520 0.400 . 1 . . . A 15 ASN N . 25577 1 182 . 1 1 29 29 ASN ND2 N 15 113.322 0.400 . 1 . . . A 15 ASN ND2 . 25577 1 183 . 1 1 30 30 ASP H H 1 8.351 0.020 . 1 . . . A 16 ASP H . 25577 1 184 . 1 1 30 30 ASP HA H 1 4.560 0.020 . 1 . . . A 16 ASP HA . 25577 1 185 . 1 1 30 30 ASP HB2 H 1 2.640 0.020 . 2 . . . A 16 ASP HB2 . 25577 1 186 . 1 1 30 30 ASP HB3 H 1 2.640 0.020 . 2 . . . A 16 ASP HB3 . 25577 1 187 . 1 1 30 30 ASP C C 13 175.853 0.400 . 1 . . . A 16 ASP C . 25577 1 188 . 1 1 30 30 ASP CA C 13 54.473 0.400 . 1 . . . A 16 ASP CA . 25577 1 189 . 1 1 30 30 ASP CB C 13 40.958 0.400 . 1 . . . A 16 ASP CB . 25577 1 190 . 1 1 30 30 ASP N N 15 119.777 0.400 . 1 . . . A 16 ASP N . 25577 1 191 . 1 1 31 31 HIS H H 1 8.181 0.020 . 1 . . . A 17 HIS H . 25577 1 192 . 1 1 31 31 HIS HA H 1 4.814 0.020 . 1 . . . A 17 HIS HA . 25577 1 193 . 1 1 31 31 HIS HB2 H 1 2.892 0.020 . 1 . . . A 17 HIS HB2 . 25577 1 194 . 1 1 31 31 HIS HB3 H 1 2.760 0.020 . 1 . . . A 17 HIS HB3 . 25577 1 195 . 1 1 31 31 HIS HD2 H 1 6.563 0.020 . 1 . . . A 17 HIS HD2 . 25577 1 196 . 1 1 31 31 HIS HE1 H 1 7.822 0.020 . 1 . . . A 17 HIS HE1 . 25577 1 197 . 1 1 31 31 HIS C C 13 174.959 0.400 . 1 . . . A 17 HIS C . 25577 1 198 . 1 1 31 31 HIS CA C 13 57.197 0.400 . 1 . . . A 17 HIS CA . 25577 1 199 . 1 1 31 31 HIS CB C 13 32.020 0.400 . 1 . . . A 17 HIS CB . 25577 1 200 . 1 1 31 31 HIS CD2 C 13 121.330 0.400 . 1 . . . A 17 HIS CD2 . 25577 1 201 . 1 1 31 31 HIS CE1 C 13 138.586 0.400 . 1 . . . A 17 HIS CE1 . 25577 1 202 . 1 1 31 31 HIS N N 15 117.026 0.400 . 1 . . . A 17 HIS N . 25577 1 203 . 1 1 32 32 ILE H H 1 9.123 0.020 . 1 . . . A 18 ILE H . 25577 1 204 . 1 1 32 32 ILE HA H 1 4.597 0.020 . 1 . . . A 18 ILE HA . 25577 1 205 . 1 1 32 32 ILE HB H 1 1.586 0.020 . 1 . . . A 18 ILE HB . 25577 1 206 . 1 1 32 32 ILE HG12 H 1 0.855 0.020 . 1 . . . A 18 ILE HG12 . 25577 1 207 . 1 1 32 32 ILE HG13 H 1 1.304 0.020 . 1 . . . A 18 ILE HG13 . 25577 1 208 . 1 1 32 32 ILE HG21 H 1 0.711 0.020 . 1 . . . A 18 ILE HG21 . 25577 1 209 . 1 1 32 32 ILE HG22 H 1 0.711 0.020 . 1 . . . A 18 ILE HG22 . 25577 1 210 . 1 1 32 32 ILE HG23 H 1 0.711 0.020 . 1 . . . A 18 ILE HG23 . 25577 1 211 . 1 1 32 32 ILE HD11 H 1 0.454 0.020 . 1 . . . A 18 ILE HD11 . 25577 1 212 . 1 1 32 32 ILE HD12 H 1 0.454 0.020 . 1 . . . A 18 ILE HD12 . 25577 1 213 . 1 1 32 32 ILE HD13 H 1 0.454 0.020 . 1 . . . A 18 ILE HD13 . 25577 1 214 . 1 1 32 32 ILE C C 13 172.756 0.400 . 1 . . . A 18 ILE C . 25577 1 215 . 1 1 32 32 ILE CA C 13 59.776 0.400 . 1 . . . A 18 ILE CA . 25577 1 216 . 1 1 32 32 ILE CB C 13 42.222 0.400 . 1 . . . A 18 ILE CB . 25577 1 217 . 1 1 32 32 ILE CG1 C 13 26.395 0.400 . 1 . . . A 18 ILE CG1 . 25577 1 218 . 1 1 32 32 ILE CG2 C 13 16.892 0.400 . 1 . . . A 18 ILE CG2 . 25577 1 219 . 1 1 32 32 ILE CD1 C 13 14.461 0.400 . 1 . . . A 18 ILE CD1 . 25577 1 220 . 1 1 32 32 ILE N N 15 117.742 0.400 . 1 . . . A 18 ILE N . 25577 1 221 . 1 1 33 33 ASN H H 1 8.999 0.020 . 1 . . . A 19 ASN H . 25577 1 222 . 1 1 33 33 ASN HA H 1 5.438 0.020 . 1 . . . A 19 ASN HA . 25577 1 223 . 1 1 33 33 ASN HB2 H 1 2.680 0.020 . 1 . . . A 19 ASN HB2 . 25577 1 224 . 1 1 33 33 ASN HB3 H 1 2.514 0.020 . 1 . . . A 19 ASN HB3 . 25577 1 225 . 1 1 33 33 ASN HD21 H 1 6.793 0.020 . 1 . . . A 19 ASN HD21 . 25577 1 226 . 1 1 33 33 ASN HD22 H 1 8.081 0.020 . 1 . . . A 19 ASN HD22 . 25577 1 227 . 1 1 33 33 ASN C C 13 174.654 0.400 . 1 . . . A 19 ASN C . 25577 1 228 . 1 1 33 33 ASN CA C 13 52.270 0.400 . 1 . . . A 19 ASN CA . 25577 1 229 . 1 1 33 33 ASN CB C 13 40.286 0.400 . 1 . . . A 19 ASN CB . 25577 1 230 . 1 1 33 33 ASN N N 15 122.452 0.400 . 1 . . . A 19 ASN N . 25577 1 231 . 1 1 33 33 ASN ND2 N 15 114.967 0.400 . 1 . . . A 19 ASN ND2 . 25577 1 232 . 1 1 34 34 LEU H H 1 9.035 0.020 . 1 . . . A 20 LEU H . 25577 1 233 . 1 1 34 34 LEU HA H 1 5.076 0.020 . 1 . . . A 20 LEU HA . 25577 1 234 . 1 1 34 34 LEU HB2 H 1 1.390 0.020 . 1 . . . A 20 LEU HB2 . 25577 1 235 . 1 1 34 34 LEU HB3 H 1 1.172 0.020 . 1 . . . A 20 LEU HB3 . 25577 1 236 . 1 1 34 34 LEU HG H 1 1.388 0.020 . 1 . . . A 20 LEU HG . 25577 1 237 . 1 1 34 34 LEU HD11 H 1 0.613 0.020 . 2 . . . A 20 LEU HD11 . 25577 1 238 . 1 1 34 34 LEU HD12 H 1 0.613 0.020 . 2 . . . A 20 LEU HD12 . 25577 1 239 . 1 1 34 34 LEU HD13 H 1 0.613 0.020 . 2 . . . A 20 LEU HD13 . 25577 1 240 . 1 1 34 34 LEU HD21 H 1 0.816 0.020 . 2 . . . A 20 LEU HD21 . 25577 1 241 . 1 1 34 34 LEU HD22 H 1 0.816 0.020 . 2 . . . A 20 LEU HD22 . 25577 1 242 . 1 1 34 34 LEU HD23 H 1 0.816 0.020 . 2 . . . A 20 LEU HD23 . 25577 1 243 . 1 1 34 34 LEU C C 13 175.761 0.400 . 1 . . . A 20 LEU C . 25577 1 244 . 1 1 34 34 LEU CA C 13 52.915 0.400 . 1 . . . A 20 LEU CA . 25577 1 245 . 1 1 34 34 LEU CB C 13 46.773 0.400 . 1 . . . A 20 LEU CB . 25577 1 246 . 1 1 34 34 LEU CG C 13 27.075 0.400 . 1 . . . A 20 LEU CG . 25577 1 247 . 1 1 34 34 LEU CD1 C 13 26.652 0.400 . 1 . . . A 20 LEU CD1 . 25577 1 248 . 1 1 34 34 LEU CD2 C 13 24.351 0.400 . 1 . . . A 20 LEU CD2 . 25577 1 249 . 1 1 34 34 LEU N N 15 123.320 0.400 . 1 . . . A 20 LEU N . 25577 1 250 . 1 1 35 35 LYS H H 1 8.638 0.020 . 1 . . . A 21 LYS H . 25577 1 251 . 1 1 35 35 LYS HA H 1 4.879 0.020 . 1 . . . A 21 LYS HA . 25577 1 252 . 1 1 35 35 LYS HB2 H 1 1.897 0.020 . 1 . . . A 21 LYS HB2 . 25577 1 253 . 1 1 35 35 LYS HB3 H 1 1.511 0.020 . 1 . . . A 21 LYS HB3 . 25577 1 254 . 1 1 35 35 LYS HG2 H 1 1.211 0.020 . 1 . . . A 21 LYS HG2 . 25577 1 255 . 1 1 35 35 LYS HG3 H 1 1.241 0.020 . 1 . . . A 21 LYS HG3 . 25577 1 256 . 1 1 35 35 LYS HD2 H 1 1.552 0.020 . 2 . . . A 21 LYS HD2 . 25577 1 257 . 1 1 35 35 LYS HD3 H 1 1.552 0.020 . 2 . . . A 21 LYS HD3 . 25577 1 258 . 1 1 35 35 LYS HE2 H 1 2.826 0.020 . 1 . . . A 21 LYS HE2 . 25577 1 259 . 1 1 35 35 LYS HE3 H 1 2.870 0.020 . 1 . . . A 21 LYS HE3 . 25577 1 260 . 1 1 35 35 LYS C C 13 175.198 0.400 . 1 . . . A 21 LYS C . 25577 1 261 . 1 1 35 35 LYS CA C 13 55.039 0.400 . 1 . . . A 21 LYS CA . 25577 1 262 . 1 1 35 35 LYS CB C 13 34.531 0.400 . 1 . . . A 21 LYS CB . 25577 1 263 . 1 1 35 35 LYS CG C 13 25.823 0.400 . 1 . . . A 21 LYS CG . 25577 1 264 . 1 1 35 35 LYS CD C 13 29.229 0.400 . 1 . . . A 21 LYS CD . 25577 1 265 . 1 1 35 35 LYS CE C 13 42.031 0.400 . 1 . . . A 21 LYS CE . 25577 1 266 . 1 1 35 35 LYS N N 15 120.598 0.400 . 1 . . . A 21 LYS N . 25577 1 267 . 1 1 36 36 VAL H H 1 9.184 0.020 . 1 . . . A 22 VAL H . 25577 1 268 . 1 1 36 36 VAL HA H 1 4.888 0.020 . 1 . . . A 22 VAL HA . 25577 1 269 . 1 1 36 36 VAL HB H 1 1.998 0.020 . 1 . . . A 22 VAL HB . 25577 1 270 . 1 1 36 36 VAL HG11 H 1 0.038 0.020 . 2 . . . A 22 VAL HG11 . 25577 1 271 . 1 1 36 36 VAL HG12 H 1 0.038 0.020 . 2 . . . A 22 VAL HG12 . 25577 1 272 . 1 1 36 36 VAL HG13 H 1 0.038 0.020 . 2 . . . A 22 VAL HG13 . 25577 1 273 . 1 1 36 36 VAL HG21 H 1 0.726 0.020 . 2 . . . A 22 VAL HG21 . 25577 1 274 . 1 1 36 36 VAL HG22 H 1 0.726 0.020 . 2 . . . A 22 VAL HG22 . 25577 1 275 . 1 1 36 36 VAL HG23 H 1 0.726 0.020 . 2 . . . A 22 VAL HG23 . 25577 1 276 . 1 1 36 36 VAL C C 13 175.437 0.400 . 1 . . . A 22 VAL C . 25577 1 277 . 1 1 36 36 VAL CA C 13 61.217 0.400 . 1 . . . A 22 VAL CA . 25577 1 278 . 1 1 36 36 VAL CB C 13 32.552 0.400 . 1 . . . A 22 VAL CB . 25577 1 279 . 1 1 36 36 VAL CG1 C 13 22.485 0.400 . 1 . . . A 22 VAL CG1 . 25577 1 280 . 1 1 36 36 VAL CG2 C 13 21.759 0.400 . 1 . . . A 22 VAL CG2 . 25577 1 281 . 1 1 36 36 VAL N N 15 121.555 0.400 . 1 . . . A 22 VAL N . 25577 1 282 . 1 1 37 37 ALA H H 1 9.295 0.020 . 1 . . . A 23 ALA H . 25577 1 283 . 1 1 37 37 ALA HA H 1 5.249 0.020 . 1 . . . A 23 ALA HA . 25577 1 284 . 1 1 37 37 ALA HB1 H 1 1.379 0.020 . 1 . . . A 23 ALA HB1 . 25577 1 285 . 1 1 37 37 ALA HB2 H 1 1.379 0.020 . 1 . . . A 23 ALA HB2 . 25577 1 286 . 1 1 37 37 ALA HB3 H 1 1.379 0.020 . 1 . . . A 23 ALA HB3 . 25577 1 287 . 1 1 37 37 ALA C C 13 176.917 0.400 . 1 . . . A 23 ALA C . 25577 1 288 . 1 1 37 37 ALA CA C 13 50.781 0.400 . 1 . . . A 23 ALA CA . 25577 1 289 . 1 1 37 37 ALA CB C 13 21.085 0.400 . 1 . . . A 23 ALA CB . 25577 1 290 . 1 1 37 37 ALA N N 15 133.027 0.400 . 1 . . . A 23 ALA N . 25577 1 291 . 1 1 38 38 GLY H H 1 8.617 0.020 . 1 . . . A 24 GLY H . 25577 1 292 . 1 1 38 38 GLY HA2 H 1 4.554 0.020 . 1 . . . A 24 GLY HA2 . 25577 1 293 . 1 1 38 38 GLY HA3 H 1 3.753 0.020 . 1 . . . A 24 GLY HA3 . 25577 1 294 . 1 1 38 38 GLY C C 13 175.915 0.400 . 1 . . . A 24 GLY C . 25577 1 295 . 1 1 38 38 GLY CA C 13 43.805 0.400 . 1 . . . A 24 GLY CA . 25577 1 296 . 1 1 38 38 GLY N N 15 109.945 0.400 . 1 . . . A 24 GLY N . 25577 1 297 . 1 1 39 39 GLN H H 1 9.023 0.020 . 1 . . . A 25 GLN H . 25577 1 298 . 1 1 39 39 GLN HA H 1 4.149 0.020 . 1 . . . A 25 GLN HA . 25577 1 299 . 1 1 39 39 GLN HB2 H 1 2.196 0.020 . 1 . . . A 25 GLN HB2 . 25577 1 300 . 1 1 39 39 GLN HB3 H 1 2.025 0.020 . 1 . . . A 25 GLN HB3 . 25577 1 301 . 1 1 39 39 GLN HG2 H 1 2.424 0.020 . 2 . . . A 25 GLN HG2 . 25577 1 302 . 1 1 39 39 GLN HG3 H 1 2.424 0.020 . 2 . . . A 25 GLN HG3 . 25577 1 303 . 1 1 39 39 GLN HE21 H 1 7.622 0.020 . 1 . . . A 25 GLN HE21 . 25577 1 304 . 1 1 39 39 GLN HE22 H 1 7.021 0.020 . 1 . . . A 25 GLN HE22 . 25577 1 305 . 1 1 39 39 GLN C C 13 175.932 0.400 . 1 . . . A 25 GLN C . 25577 1 306 . 1 1 39 39 GLN CA C 13 57.766 0.400 . 1 . . . A 25 GLN CA . 25577 1 307 . 1 1 39 39 GLN CB C 13 28.730 0.400 . 1 . . . A 25 GLN CB . 25577 1 308 . 1 1 39 39 GLN CG C 13 34.766 0.400 . 1 . . . A 25 GLN CG . 25577 1 309 . 1 1 39 39 GLN N N 15 120.801 0.400 . 1 . . . A 25 GLN N . 25577 1 310 . 1 1 39 39 GLN NE2 N 15 114.277 0.400 . 1 . . . A 25 GLN NE2 . 25577 1 311 . 1 1 40 40 ASP H H 1 8.293 0.020 . 1 . . . A 26 ASP H . 25577 1 312 . 1 1 40 40 ASP HA H 1 4.492 0.020 . 1 . . . A 26 ASP HA . 25577 1 313 . 1 1 40 40 ASP HB2 H 1 3.030 0.020 . 2 . . . A 26 ASP HB2 . 25577 1 314 . 1 1 40 40 ASP HB3 H 1 2.648 0.020 . 2 . . . A 26 ASP HB3 . 25577 1 315 . 1 1 40 40 ASP C C 13 176.827 0.400 . 1 . . . A 26 ASP C . 25577 1 316 . 1 1 40 40 ASP CA C 13 53.178 0.400 . 1 . . . A 26 ASP CA . 25577 1 317 . 1 1 40 40 ASP CB C 13 40.072 0.400 . 1 . . . A 26 ASP CB . 25577 1 318 . 1 1 40 40 ASP N N 15 116.965 0.400 . 1 . . . A 26 ASP N . 25577 1 319 . 1 1 41 41 GLY H H 1 7.894 0.020 . 1 . . . A 27 GLY H . 25577 1 320 . 1 1 41 41 GLY HA2 H 1 4.273 0.020 . 1 . . . A 27 GLY HA2 . 25577 1 321 . 1 1 41 41 GLY HA3 H 1 3.719 0.020 . 1 . . . A 27 GLY HA3 . 25577 1 322 . 1 1 41 41 GLY C C 13 174.270 0.400 . 1 . . . A 27 GLY C . 25577 1 323 . 1 1 41 41 GLY CA C 13 45.234 0.400 . 1 . . . A 27 GLY CA . 25577 1 324 . 1 1 41 41 GLY N N 15 108.378 0.400 . 1 . . . A 27 GLY N . 25577 1 325 . 1 1 42 42 SER H H 1 8.016 0.020 . 1 . . . A 28 SER H . 25577 1 326 . 1 1 42 42 SER HA H 1 4.325 0.020 . 1 . . . A 28 SER HA . 25577 1 327 . 1 1 42 42 SER HB2 H 1 3.847 0.020 . 1 . . . A 28 SER HB2 . 25577 1 328 . 1 1 42 42 SER HB3 H 1 3.907 0.020 . 1 . . . A 28 SER HB3 . 25577 1 329 . 1 1 42 42 SER C C 13 174.488 0.400 . 1 . . . A 28 SER C . 25577 1 330 . 1 1 42 42 SER CA C 13 58.470 0.400 . 1 . . . A 28 SER CA . 25577 1 331 . 1 1 42 42 SER CB C 13 63.794 0.400 . 1 . . . A 28 SER CB . 25577 1 332 . 1 1 42 42 SER N N 15 116.942 0.400 . 1 . . . A 28 SER N . 25577 1 333 . 1 1 43 43 VAL H H 1 8.596 0.020 . 1 . . . A 29 VAL H . 25577 1 334 . 1 1 43 43 VAL HA H 1 4.949 0.020 . 1 . . . A 29 VAL HA . 25577 1 335 . 1 1 43 43 VAL HB H 1 1.918 0.020 . 1 . . . A 29 VAL HB . 25577 1 336 . 1 1 43 43 VAL HG11 H 1 0.817 0.020 . 2 . . . A 29 VAL HG11 . 25577 1 337 . 1 1 43 43 VAL HG12 H 1 0.817 0.020 . 2 . . . A 29 VAL HG12 . 25577 1 338 . 1 1 43 43 VAL HG13 H 1 0.817 0.020 . 2 . . . A 29 VAL HG13 . 25577 1 339 . 1 1 43 43 VAL HG21 H 1 0.915 0.020 . 2 . . . A 29 VAL HG21 . 25577 1 340 . 1 1 43 43 VAL HG22 H 1 0.915 0.020 . 2 . . . A 29 VAL HG22 . 25577 1 341 . 1 1 43 43 VAL HG23 H 1 0.915 0.020 . 2 . . . A 29 VAL HG23 . 25577 1 342 . 1 1 43 43 VAL C C 13 175.460 0.400 . 1 . . . A 29 VAL C . 25577 1 343 . 1 1 43 43 VAL CA C 13 61.963 0.400 . 1 . . . A 29 VAL CA . 25577 1 344 . 1 1 43 43 VAL CB C 13 35.098 0.400 . 1 . . . A 29 VAL CB . 25577 1 345 . 1 1 43 43 VAL CG1 C 13 21.873 0.400 . 1 . . . A 29 VAL CG1 . 25577 1 346 . 1 1 43 43 VAL CG2 C 13 21.332 0.400 . 1 . . . A 29 VAL CG2 . 25577 1 347 . 1 1 43 43 VAL N N 15 122.579 0.400 . 1 . . . A 29 VAL N . 25577 1 348 . 1 1 44 44 VAL H H 1 8.616 0.020 . 1 . . . A 30 VAL H . 25577 1 349 . 1 1 44 44 VAL HA H 1 4.338 0.020 . 1 . . . A 30 VAL HA . 25577 1 350 . 1 1 44 44 VAL HB H 1 2.071 0.020 . 1 . . . A 30 VAL HB . 25577 1 351 . 1 1 44 44 VAL HG11 H 1 0.761 0.020 . 2 . . . A 30 VAL HG11 . 25577 1 352 . 1 1 44 44 VAL HG12 H 1 0.761 0.020 . 2 . . . A 30 VAL HG12 . 25577 1 353 . 1 1 44 44 VAL HG13 H 1 0.761 0.020 . 2 . . . A 30 VAL HG13 . 25577 1 354 . 1 1 44 44 VAL HG21 H 1 1.046 0.020 . 2 . . . A 30 VAL HG21 . 25577 1 355 . 1 1 44 44 VAL HG22 H 1 1.046 0.020 . 2 . . . A 30 VAL HG22 . 25577 1 356 . 1 1 44 44 VAL HG23 H 1 1.046 0.020 . 2 . . . A 30 VAL HG23 . 25577 1 357 . 1 1 44 44 VAL C C 13 174.278 0.400 . 1 . . . A 30 VAL C . 25577 1 358 . 1 1 44 44 VAL CA C 13 60.940 0.400 . 1 . . . A 30 VAL CA . 25577 1 359 . 1 1 44 44 VAL CB C 13 34.937 0.400 . 1 . . . A 30 VAL CB . 25577 1 360 . 1 1 44 44 VAL CG1 C 13 22.706 0.400 . 1 . . . A 30 VAL CG1 . 25577 1 361 . 1 1 44 44 VAL CG2 C 13 21.503 0.400 . 1 . . . A 30 VAL CG2 . 25577 1 362 . 1 1 44 44 VAL N N 15 127.346 0.400 . 1 . . . A 30 VAL N . 25577 1 363 . 1 1 45 45 GLN H H 1 8.509 0.020 . 1 . . . A 31 GLN H . 25577 1 364 . 1 1 45 45 GLN HA H 1 5.187 0.020 . 1 . . . A 31 GLN HA . 25577 1 365 . 1 1 45 45 GLN HB2 H 1 2.044 0.020 . 1 . . . A 31 GLN HB2 . 25577 1 366 . 1 1 45 45 GLN HB3 H 1 1.818 0.020 . 1 . . . A 31 GLN HB3 . 25577 1 367 . 1 1 45 45 GLN HG2 H 1 2.193 0.020 . 1 . . . A 31 GLN HG2 . 25577 1 368 . 1 1 45 45 GLN HG3 H 1 2.098 0.020 . 1 . . . A 31 GLN HG3 . 25577 1 369 . 1 1 45 45 GLN HE21 H 1 6.925 0.020 . 1 . . . A 31 GLN HE21 . 25577 1 370 . 1 1 45 45 GLN HE22 H 1 7.422 0.020 . 1 . . . A 31 GLN HE22 . 25577 1 371 . 1 1 45 45 GLN C C 13 174.809 0.400 . 1 . . . A 31 GLN C . 25577 1 372 . 1 1 45 45 GLN CA C 13 55.144 0.400 . 1 . . . A 31 GLN CA . 25577 1 373 . 1 1 45 45 GLN CB C 13 31.136 0.400 . 1 . . . A 31 GLN CB . 25577 1 374 . 1 1 45 45 GLN CG C 13 34.650 0.400 . 1 . . . A 31 GLN CG . 25577 1 375 . 1 1 45 45 GLN N N 15 125.275 0.400 . 1 . . . A 31 GLN N . 25577 1 376 . 1 1 45 45 GLN NE2 N 15 111.887 0.400 . 1 . . . A 31 GLN NE2 . 25577 1 377 . 1 1 46 46 PHE H H 1 9.092 0.020 . 1 . . . A 32 PHE H . 25577 1 378 . 1 1 46 46 PHE HA H 1 4.691 0.020 . 1 . . . A 32 PHE HA . 25577 1 379 . 1 1 46 46 PHE HB2 H 1 2.517 0.020 . 1 . . . A 32 PHE HB2 . 25577 1 380 . 1 1 46 46 PHE HB3 H 1 2.957 0.020 . 1 . . . A 32 PHE HB3 . 25577 1 381 . 1 1 46 46 PHE HD1 H 1 7.064 0.020 . 1 . . . A 32 PHE HD1 . 25577 1 382 . 1 1 46 46 PHE HD2 H 1 7.064 0.020 . 1 . . . A 32 PHE HD2 . 25577 1 383 . 1 1 46 46 PHE HE1 H 1 7.188 0.020 . 1 . . . A 32 PHE HE1 . 25577 1 384 . 1 1 46 46 PHE HE2 H 1 7.188 0.020 . 1 . . . A 32 PHE HE2 . 25577 1 385 . 1 1 46 46 PHE HZ H 1 7.225 0.020 . 1 . . . A 32 PHE HZ . 25577 1 386 . 1 1 46 46 PHE C C 13 173.581 0.400 . 1 . . . A 32 PHE C . 25577 1 387 . 1 1 46 46 PHE CA C 13 57.443 0.400 . 1 . . . A 32 PHE CA . 25577 1 388 . 1 1 46 46 PHE CB C 13 44.791 0.400 . 1 . . . A 32 PHE CB . 25577 1 389 . 1 1 46 46 PHE CD1 C 13 132.140 0.400 . 1 . . . A 32 PHE CD1 . 25577 1 390 . 1 1 46 46 PHE CD2 C 13 132.114 0.400 . 1 . . . A 32 PHE CD2 . 25577 1 391 . 1 1 46 46 PHE CE1 C 13 132.193 0.400 . 1 . . . A 32 PHE CE1 . 25577 1 392 . 1 1 46 46 PHE CE2 C 13 132.193 0.400 . 1 . . . A 32 PHE CE2 . 25577 1 393 . 1 1 46 46 PHE CZ C 13 129.670 0.400 . 1 . . . A 32 PHE CZ . 25577 1 394 . 1 1 46 46 PHE N N 15 121.076 0.400 . 1 . . . A 32 PHE N . 25577 1 395 . 1 1 47 47 LYS H H 1 8.492 0.020 . 1 . . . A 33 LYS H . 25577 1 396 . 1 1 47 47 LYS HA H 1 5.322 0.020 . 1 . . . A 33 LYS HA . 25577 1 397 . 1 1 47 47 LYS HB2 H 1 1.547 0.020 . 1 . . . A 33 LYS HB2 . 25577 1 398 . 1 1 47 47 LYS HB3 H 1 1.622 0.020 . 1 . . . A 33 LYS HB3 . 25577 1 399 . 1 1 47 47 LYS HG2 H 1 1.159 0.020 . 1 . . . A 33 LYS HG2 . 25577 1 400 . 1 1 47 47 LYS HG3 H 1 1.281 0.020 . 1 . . . A 33 LYS HG3 . 25577 1 401 . 1 1 47 47 LYS HD2 H 1 1.393 0.020 . 2 . . . A 33 LYS HD2 . 25577 1 402 . 1 1 47 47 LYS HD3 H 1 1.393 0.020 . 2 . . . A 33 LYS HD3 . 25577 1 403 . 1 1 47 47 LYS HE2 H 1 2.630 0.020 . 2 . . . A 33 LYS HE2 . 25577 1 404 . 1 1 47 47 LYS HE3 H 1 2.630 0.020 . 2 . . . A 33 LYS HE3 . 25577 1 405 . 1 1 47 47 LYS C C 13 176.085 0.400 . 1 . . . A 33 LYS C . 25577 1 406 . 1 1 47 47 LYS CA C 13 55.498 0.400 . 1 . . . A 33 LYS CA . 25577 1 407 . 1 1 47 47 LYS CB C 13 33.944 0.400 . 1 . . . A 33 LYS CB . 25577 1 408 . 1 1 47 47 LYS CG C 13 24.896 0.400 . 1 . . . A 33 LYS CG . 25577 1 409 . 1 1 47 47 LYS CD C 13 29.211 0.400 . 1 . . . A 33 LYS CD . 25577 1 410 . 1 1 47 47 LYS CE C 13 41.582 0.400 . 1 . . . A 33 LYS CE . 25577 1 411 . 1 1 47 47 LYS N N 15 122.799 0.400 . 1 . . . A 33 LYS N . 25577 1 412 . 1 1 48 48 ILE H H 1 8.992 0.020 . 1 . . . A 34 ILE H . 25577 1 413 . 1 1 48 48 ILE HA H 1 4.828 0.020 . 1 . . . A 34 ILE HA . 25577 1 414 . 1 1 48 48 ILE HB H 1 1.787 0.020 . 1 . . . A 34 ILE HB . 25577 1 415 . 1 1 48 48 ILE HG12 H 1 1.450 0.020 . 1 . . . A 34 ILE HG12 . 25577 1 416 . 1 1 48 48 ILE HG13 H 1 1.305 0.020 . 1 . . . A 34 ILE HG13 . 25577 1 417 . 1 1 48 48 ILE HG21 H 1 0.756 0.020 . 1 . . . A 34 ILE HG21 . 25577 1 418 . 1 1 48 48 ILE HG22 H 1 0.756 0.020 . 1 . . . A 34 ILE HG22 . 25577 1 419 . 1 1 48 48 ILE HG23 H 1 0.756 0.020 . 1 . . . A 34 ILE HG23 . 25577 1 420 . 1 1 48 48 ILE HD11 H 1 0.675 0.020 . 1 . . . A 34 ILE HD11 . 25577 1 421 . 1 1 48 48 ILE HD12 H 1 0.675 0.020 . 1 . . . A 34 ILE HD12 . 25577 1 422 . 1 1 48 48 ILE HD13 H 1 0.675 0.020 . 1 . . . A 34 ILE HD13 . 25577 1 423 . 1 1 48 48 ILE C C 13 173.499 0.400 . 1 . . . A 34 ILE C . 25577 1 424 . 1 1 48 48 ILE CA C 13 59.376 0.400 . 1 . . . A 34 ILE CA . 25577 1 425 . 1 1 48 48 ILE CB C 13 42.330 0.400 . 1 . . . A 34 ILE CB . 25577 1 426 . 1 1 48 48 ILE CG1 C 13 26.622 0.400 . 1 . . . A 34 ILE CG1 . 25577 1 427 . 1 1 48 48 ILE CG2 C 13 16.430 0.400 . 1 . . . A 34 ILE CG2 . 25577 1 428 . 1 1 48 48 ILE CD1 C 13 14.436 0.400 . 1 . . . A 34 ILE CD1 . 25577 1 429 . 1 1 48 48 ILE N N 15 122.657 0.400 . 1 . . . A 34 ILE N . 25577 1 430 . 1 1 49 49 LYS H H 1 8.300 0.020 . 1 . . . A 35 LYS H . 25577 1 431 . 1 1 49 49 LYS HA H 1 4.445 0.020 . 1 . . . A 35 LYS HA . 25577 1 432 . 1 1 49 49 LYS HB2 H 1 1.725 0.020 . 2 . . . A 35 LYS HB2 . 25577 1 433 . 1 1 49 49 LYS HB3 H 1 1.789 0.020 . 2 . . . A 35 LYS HB3 . 25577 1 434 . 1 1 49 49 LYS HG2 H 1 1.179 0.020 . 2 . . . A 35 LYS HG2 . 25577 1 435 . 1 1 49 49 LYS HG3 H 1 0.697 0.020 . 2 . . . A 35 LYS HG3 . 25577 1 436 . 1 1 49 49 LYS HD2 H 1 1.496 0.020 . 2 . . . A 35 LYS HD2 . 25577 1 437 . 1 1 49 49 LYS HD3 H 1 1.496 0.020 . 2 . . . A 35 LYS HD3 . 25577 1 438 . 1 1 49 49 LYS HE2 H 1 2.825 0.020 . 2 . . . A 35 LYS HE2 . 25577 1 439 . 1 1 49 49 LYS HE3 H 1 2.858 0.020 . 2 . . . A 35 LYS HE3 . 25577 1 440 . 1 1 49 49 LYS C C 13 178.483 0.400 . 1 . . . A 35 LYS C . 25577 1 441 . 1 1 49 49 LYS CA C 13 56.904 0.400 . 1 . . . A 35 LYS CA . 25577 1 442 . 1 1 49 49 LYS CB C 13 32.287 0.400 . 1 . . . A 35 LYS CB . 25577 1 443 . 1 1 49 49 LYS CG C 13 25.989 0.400 . 1 . . . A 35 LYS CG . 25577 1 444 . 1 1 49 49 LYS CD C 13 29.324 0.400 . 1 . . . A 35 LYS CD . 25577 1 445 . 1 1 49 49 LYS CE C 13 42.031 0.400 . 1 . . . A 35 LYS CE . 25577 1 446 . 1 1 49 49 LYS N N 15 124.059 0.400 . 1 . . . A 35 LYS N . 25577 1 447 . 1 1 50 50 ARG H H 1 8.100 0.020 . 1 . . . A 36 ARG H . 25577 1 448 . 1 1 50 50 ARG HA H 1 3.578 0.020 . 1 . . . A 36 ARG HA . 25577 1 449 . 1 1 50 50 ARG HB2 H 1 1.257 0.020 . 1 . . . A 36 ARG HB2 . 25577 1 450 . 1 1 50 50 ARG HB3 H 1 1.460 0.020 . 1 . . . A 36 ARG HB3 . 25577 1 451 . 1 1 50 50 ARG HG2 H 1 1.520 0.020 . 2 . . . A 36 ARG HG2 . 25577 1 452 . 1 1 50 50 ARG HG3 H 1 1.452 0.020 . 2 . . . A 36 ARG HG3 . 25577 1 453 . 1 1 50 50 ARG HD2 H 1 3.143 0.020 . 2 . . . A 36 ARG HD2 . 25577 1 454 . 1 1 50 50 ARG HD3 H 1 3.240 0.020 . 2 . . . A 36 ARG HD3 . 25577 1 455 . 1 1 50 50 ARG HE H 1 7.317 0.020 . 1 . . . A 36 ARG HE . 25577 1 456 . 1 1 50 50 ARG C C 13 175.738 0.400 . 1 . . . A 36 ARG C . 25577 1 457 . 1 1 50 50 ARG CA C 13 59.837 0.400 . 1 . . . A 36 ARG CA . 25577 1 458 . 1 1 50 50 ARG CB C 13 29.821 0.400 . 1 . . . A 36 ARG CB . 25577 1 459 . 1 1 50 50 ARG CG C 13 30.082 0.400 . 1 . . . A 36 ARG CG . 25577 1 460 . 1 1 50 50 ARG CD C 13 42.977 0.400 . 1 . . . A 36 ARG CD . 25577 1 461 . 1 1 50 50 ARG N N 15 117.933 0.400 . 1 . . . A 36 ARG N . 25577 1 462 . 1 1 50 50 ARG NE N 15 83.979 0.400 . 1 . . . A 36 ARG NE . 25577 1 463 . 1 1 51 51 HIS H H 1 7.851 0.020 . 1 . . . A 37 HIS H . 25577 1 464 . 1 1 51 51 HIS HA H 1 4.770 0.020 . 1 . . . A 37 HIS HA . 25577 1 465 . 1 1 51 51 HIS HB2 H 1 3.349 0.020 . 2 . . . A 37 HIS HB2 . 25577 1 466 . 1 1 51 51 HIS HB3 H 1 2.888 0.020 . 2 . . . A 37 HIS HB3 . 25577 1 467 . 1 1 51 51 HIS HD2 H 1 7.065 0.020 . 1 . . . A 37 HIS HD2 . 25577 1 468 . 1 1 51 51 HIS HE1 H 1 7.765 0.020 . 1 . . . A 37 HIS HE1 . 25577 1 469 . 1 1 51 51 HIS C C 13 174.708 0.400 . 1 . . . A 37 HIS C . 25577 1 470 . 1 1 51 51 HIS CA C 13 55.295 0.400 . 1 . . . A 37 HIS CA . 25577 1 471 . 1 1 51 51 HIS CB C 13 29.599 0.400 . 1 . . . A 37 HIS CB . 25577 1 472 . 1 1 51 51 HIS CD2 C 13 119.976 0.400 . 1 . . . A 37 HIS CD2 . 25577 1 473 . 1 1 51 51 HIS CE1 C 13 137.986 0.400 . 1 . . . A 37 HIS CE1 . 25577 1 474 . 1 1 51 51 HIS N N 15 111.539 0.400 . 1 . . . A 37 HIS N . 25577 1 475 . 1 1 52 52 THR H H 1 7.418 0.020 . 1 . . . A 38 THR H . 25577 1 476 . 1 1 52 52 THR HA H 1 4.535 0.020 . 1 . . . A 38 THR HA . 25577 1 477 . 1 1 52 52 THR HB H 1 4.064 0.020 . 1 . . . A 38 THR HB . 25577 1 478 . 1 1 52 52 THR HG21 H 1 1.401 0.020 . 1 . . . A 38 THR HG21 . 25577 1 479 . 1 1 52 52 THR HG22 H 1 1.401 0.020 . 1 . . . A 38 THR HG22 . 25577 1 480 . 1 1 52 52 THR HG23 H 1 1.401 0.020 . 1 . . . A 38 THR HG23 . 25577 1 481 . 1 1 52 52 THR C C 13 169.861 0.400 . 1 . . . A 38 THR C . 25577 1 482 . 1 1 52 52 THR CA C 13 60.631 0.400 . 1 . . . A 38 THR CA . 25577 1 483 . 1 1 52 52 THR CB C 13 70.619 0.400 . 1 . . . A 38 THR CB . 25577 1 484 . 1 1 52 52 THR CG2 C 13 21.625 0.400 . 1 . . . A 38 THR CG2 . 25577 1 485 . 1 1 52 52 THR N N 15 121.519 0.400 . 1 . . . A 38 THR N . 25577 1 486 . 1 1 53 53 PRO HA H 1 4.233 0.020 . 1 . . . A 39 PRO HA . 25577 1 487 . 1 1 53 53 PRO HB2 H 1 2.278 0.020 . 1 . . . A 39 PRO HB2 . 25577 1 488 . 1 1 53 53 PRO HB3 H 1 2.037 0.020 . 1 . . . A 39 PRO HB3 . 25577 1 489 . 1 1 53 53 PRO HG2 H 1 1.912 0.020 . 1 . . . A 39 PRO HG2 . 25577 1 490 . 1 1 53 53 PRO HG3 H 1 2.091 0.020 . 1 . . . A 39 PRO HG3 . 25577 1 491 . 1 1 53 53 PRO HD2 H 1 3.973 0.020 . 1 . . . A 39 PRO HD2 . 25577 1 492 . 1 1 53 53 PRO HD3 H 1 3.712 0.020 . 1 . . . A 39 PRO HD3 . 25577 1 493 . 1 1 53 53 PRO C C 13 178.342 0.400 . 1 . . . A 39 PRO C . 25577 1 494 . 1 1 53 53 PRO CA C 13 62.694 0.400 . 1 . . . A 39 PRO CA . 25577 1 495 . 1 1 53 53 PRO CB C 13 32.187 0.400 . 1 . . . A 39 PRO CB . 25577 1 496 . 1 1 53 53 PRO CG C 13 28.010 0.400 . 1 . . . A 39 PRO CG . 25577 1 497 . 1 1 53 53 PRO CD C 13 51.080 0.400 . 1 . . . A 39 PRO CD . 25577 1 498 . 1 1 54 54 LEU H H 1 9.039 0.020 . 1 . . . A 40 LEU H . 25577 1 499 . 1 1 54 54 LEU HA H 1 3.763 0.020 . 1 . . . A 40 LEU HA . 25577 1 500 . 1 1 54 54 LEU HB2 H 1 1.673 0.020 . 1 . . . A 40 LEU HB2 . 25577 1 501 . 1 1 54 54 LEU HB3 H 1 1.018 0.020 . 1 . . . A 40 LEU HB3 . 25577 1 502 . 1 1 54 54 LEU HG H 1 1.486 0.020 . 1 . . . A 40 LEU HG . 25577 1 503 . 1 1 54 54 LEU HD11 H 1 0.538 0.020 . 2 . . . A 40 LEU HD11 . 25577 1 504 . 1 1 54 54 LEU HD12 H 1 0.538 0.020 . 2 . . . A 40 LEU HD12 . 25577 1 505 . 1 1 54 54 LEU HD13 H 1 0.538 0.020 . 2 . . . A 40 LEU HD13 . 25577 1 506 . 1 1 54 54 LEU HD21 H 1 0.581 0.020 . 2 . . . A 40 LEU HD21 . 25577 1 507 . 1 1 54 54 LEU HD22 H 1 0.581 0.020 . 2 . . . A 40 LEU HD22 . 25577 1 508 . 1 1 54 54 LEU HD23 H 1 0.581 0.020 . 2 . . . A 40 LEU HD23 . 25577 1 509 . 1 1 54 54 LEU C C 13 177.273 0.400 . 1 . . . A 40 LEU C . 25577 1 510 . 1 1 54 54 LEU CA C 13 57.410 0.400 . 1 . . . A 40 LEU CA . 25577 1 511 . 1 1 54 54 LEU CB C 13 41.635 0.400 . 1 . . . A 40 LEU CB . 25577 1 512 . 1 1 54 54 LEU CG C 13 29.171 0.400 . 1 . . . A 40 LEU CG . 25577 1 513 . 1 1 54 54 LEU CD1 C 13 26.572 0.400 . 1 . . . A 40 LEU CD1 . 25577 1 514 . 1 1 54 54 LEU CD2 C 13 24.672 0.400 . 1 . . . A 40 LEU CD2 . 25577 1 515 . 1 1 54 54 LEU N N 15 122.652 0.400 . 1 . . . A 40 LEU N . 25577 1 516 . 1 1 55 55 SER H H 1 8.352 0.020 . 1 . . . A 41 SER H . 25577 1 517 . 1 1 55 55 SER HA H 1 3.911 0.020 . 1 . . . A 41 SER HA . 25577 1 518 . 1 1 55 55 SER C C 13 175.944 0.400 . 1 . . . A 41 SER C . 25577 1 519 . 1 1 55 55 SER CA C 13 62.095 0.400 . 1 . . . A 41 SER CA . 25577 1 520 . 1 1 55 55 SER N N 15 115.534 0.400 . 1 . . . A 41 SER N . 25577 1 521 . 1 1 56 56 LYS H H 1 7.710 0.020 . 1 . . . A 42 LYS H . 25577 1 522 . 1 1 56 56 LYS HA H 1 3.944 0.020 . 1 . . . A 42 LYS HA . 25577 1 523 . 1 1 56 56 LYS HB2 H 1 1.724 0.020 . 1 . . . A 42 LYS HB2 . 25577 1 524 . 1 1 56 56 LYS HB3 H 1 1.863 0.020 . 1 . . . A 42 LYS HB3 . 25577 1 525 . 1 1 56 56 LYS HG2 H 1 1.397 0.020 . 2 . . . A 42 LYS HG2 . 25577 1 526 . 1 1 56 56 LYS HG3 H 1 1.518 0.020 . 2 . . . A 42 LYS HG3 . 25577 1 527 . 1 1 56 56 LYS HD2 H 1 1.669 0.020 . 2 . . . A 42 LYS HD2 . 25577 1 528 . 1 1 56 56 LYS HD3 H 1 1.669 0.020 . 2 . . . A 42 LYS HD3 . 25577 1 529 . 1 1 56 56 LYS HE2 H 1 2.975 0.020 . 2 . . . A 42 LYS HE2 . 25577 1 530 . 1 1 56 56 LYS HE3 H 1 2.975 0.020 . 2 . . . A 42 LYS HE3 . 25577 1 531 . 1 1 56 56 LYS C C 13 179.055 0.400 . 1 . . . A 42 LYS C . 25577 1 532 . 1 1 56 56 LYS CA C 13 59.789 0.400 . 1 . . . A 42 LYS CA . 25577 1 533 . 1 1 56 56 LYS CB C 13 32.204 0.400 . 1 . . . A 42 LYS CB . 25577 1 534 . 1 1 56 56 LYS CG C 13 25.336 0.400 . 1 . . . A 42 LYS CG . 25577 1 535 . 1 1 56 56 LYS CD C 13 29.052 0.400 . 1 . . . A 42 LYS CD . 25577 1 536 . 1 1 56 56 LYS CE C 13 42.109 0.400 . 1 . . . A 42 LYS CE . 25577 1 537 . 1 1 56 56 LYS N N 15 119.411 0.400 . 1 . . . A 42 LYS N . 25577 1 538 . 1 1 57 57 LEU H H 1 6.991 0.020 . 1 . . . A 43 LEU H . 25577 1 539 . 1 1 57 57 LEU HA H 1 3.560 0.020 . 1 . . . A 43 LEU HA . 25577 1 540 . 1 1 57 57 LEU HB2 H 1 1.359 0.020 . 1 . . . A 43 LEU HB2 . 25577 1 541 . 1 1 57 57 LEU HB3 H 1 1.413 0.020 . 1 . . . A 43 LEU HB3 . 25577 1 542 . 1 1 57 57 LEU HG H 1 0.642 0.020 . 1 . . . A 43 LEU HG . 25577 1 543 . 1 1 57 57 LEU HD11 H 1 0.133 0.020 . 2 . . . A 43 LEU HD11 . 25577 1 544 . 1 1 57 57 LEU HD12 H 1 0.133 0.020 . 2 . . . A 43 LEU HD12 . 25577 1 545 . 1 1 57 57 LEU HD13 H 1 0.133 0.020 . 2 . . . A 43 LEU HD13 . 25577 1 546 . 1 1 57 57 LEU HD21 H 1 0.353 0.020 . 2 . . . A 43 LEU HD21 . 25577 1 547 . 1 1 57 57 LEU HD22 H 1 0.353 0.020 . 2 . . . A 43 LEU HD22 . 25577 1 548 . 1 1 57 57 LEU HD23 H 1 0.353 0.020 . 2 . . . A 43 LEU HD23 . 25577 1 549 . 1 1 57 57 LEU C C 13 177.280 0.400 . 1 . . . A 43 LEU C . 25577 1 550 . 1 1 57 57 LEU CA C 13 58.004 0.400 . 1 . . . A 43 LEU CA . 25577 1 551 . 1 1 57 57 LEU CB C 13 42.088 0.400 . 1 . . . A 43 LEU CB . 25577 1 552 . 1 1 57 57 LEU CG C 13 26.396 0.400 . 1 . . . A 43 LEU CG . 25577 1 553 . 1 1 57 57 LEU CD1 C 13 23.993 0.400 . 1 . . . A 43 LEU CD1 . 25577 1 554 . 1 1 57 57 LEU CD2 C 13 27.657 0.400 . 1 . . . A 43 LEU CD2 . 25577 1 555 . 1 1 57 57 LEU N N 15 122.133 0.400 . 1 . . . A 43 LEU N . 25577 1 556 . 1 1 58 58 MET H H 1 8.264 0.020 . 1 . . . A 44 MET H . 25577 1 557 . 1 1 58 58 MET HA H 1 3.243 0.020 . 1 . . . A 44 MET HA . 25577 1 558 . 1 1 58 58 MET HB2 H 1 1.660 0.020 . 2 . . . A 44 MET HB2 . 25577 1 559 . 1 1 58 58 MET HB3 H 1 1.660 0.020 . 2 . . . A 44 MET HB3 . 25577 1 560 . 1 1 58 58 MET HG2 H 1 0.210 0.020 . 2 . . . A 44 MET HG2 . 25577 1 561 . 1 1 58 58 MET HG3 H 1 1.839 0.020 . 2 . . . A 44 MET HG3 . 25577 1 562 . 1 1 58 58 MET HE1 H 1 1.450 0.020 . 1 . . . A 44 MET HE1 . 25577 1 563 . 1 1 58 58 MET HE2 H 1 1.450 0.020 . 1 . . . A 44 MET HE2 . 25577 1 564 . 1 1 58 58 MET HE3 H 1 1.450 0.020 . 1 . . . A 44 MET HE3 . 25577 1 565 . 1 1 58 58 MET C C 13 177.827 0.400 . 1 . . . A 44 MET C . 25577 1 566 . 1 1 58 58 MET CA C 13 59.623 0.400 . 1 . . . A 44 MET CA . 25577 1 567 . 1 1 58 58 MET CB C 13 32.771 0.400 . 1 . . . A 44 MET CB . 25577 1 568 . 1 1 58 58 MET CG C 13 31.456 0.400 . 1 . . . A 44 MET CG . 25577 1 569 . 1 1 58 58 MET CE C 13 17.577 0.400 . 1 . . . A 44 MET CE . 25577 1 570 . 1 1 58 58 MET N N 15 119.066 0.400 . 1 . . . A 44 MET N . 25577 1 571 . 1 1 59 59 LYS H H 1 8.276 0.020 . 1 . . . A 45 LYS H . 25577 1 572 . 1 1 59 59 LYS HA H 1 3.972 0.020 . 1 . . . A 45 LYS HA . 25577 1 573 . 1 1 59 59 LYS HB2 H 1 1.819 0.020 . 2 . . . A 45 LYS HB2 . 25577 1 574 . 1 1 59 59 LYS HB3 H 1 1.819 0.020 . 2 . . . A 45 LYS HB3 . 25577 1 575 . 1 1 59 59 LYS HG2 H 1 1.382 0.020 . 2 . . . A 45 LYS HG2 . 25577 1 576 . 1 1 59 59 LYS HG3 H 1 1.541 0.020 . 2 . . . A 45 LYS HG3 . 25577 1 577 . 1 1 59 59 LYS HD2 H 1 1.635 0.020 . 2 . . . A 45 LYS HD2 . 25577 1 578 . 1 1 59 59 LYS HD3 H 1 1.635 0.020 . 2 . . . A 45 LYS HD3 . 25577 1 579 . 1 1 59 59 LYS HE2 H 1 2.939 0.020 . 2 . . . A 45 LYS HE2 . 25577 1 580 . 1 1 59 59 LYS HE3 H 1 2.939 0.020 . 2 . . . A 45 LYS HE3 . 25577 1 581 . 1 1 59 59 LYS C C 13 178.769 0.400 . 1 . . . A 45 LYS C . 25577 1 582 . 1 1 59 59 LYS CA C 13 59.871 0.400 . 1 . . . A 45 LYS CA . 25577 1 583 . 1 1 59 59 LYS CB C 13 32.637 0.400 . 1 . . . A 45 LYS CB . 25577 1 584 . 1 1 59 59 LYS CG C 13 25.716 0.400 . 1 . . . A 45 LYS CG . 25577 1 585 . 1 1 59 59 LYS CD C 13 29.341 0.400 . 1 . . . A 45 LYS CD . 25577 1 586 . 1 1 59 59 LYS CE C 13 42.155 0.400 . 1 . . . A 45 LYS CE . 25577 1 587 . 1 1 59 59 LYS N N 15 118.638 0.400 . 1 . . . A 45 LYS N . 25577 1 588 . 1 1 60 60 ALA H H 1 7.542 0.020 . 1 . . . A 46 ALA H . 25577 1 589 . 1 1 60 60 ALA HA H 1 4.233 0.020 . 1 . . . A 46 ALA HA . 25577 1 590 . 1 1 60 60 ALA HB1 H 1 1.524 0.020 . 1 . . . A 46 ALA HB1 . 25577 1 591 . 1 1 60 60 ALA HB2 H 1 1.524 0.020 . 1 . . . A 46 ALA HB2 . 25577 1 592 . 1 1 60 60 ALA HB3 H 1 1.524 0.020 . 1 . . . A 46 ALA HB3 . 25577 1 593 . 1 1 60 60 ALA C C 13 180.750 0.400 . 1 . . . A 46 ALA C . 25577 1 594 . 1 1 60 60 ALA CA C 13 55.038 0.400 . 1 . . . A 46 ALA CA . 25577 1 595 . 1 1 60 60 ALA CB C 13 18.475 0.400 . 1 . . . A 46 ALA CB . 25577 1 596 . 1 1 60 60 ALA N N 15 121.840 0.400 . 1 . . . A 46 ALA N . 25577 1 597 . 1 1 61 61 TYR H H 1 8.847 0.020 . 1 . . . A 47 TYR H . 25577 1 598 . 1 1 61 61 TYR HA H 1 4.069 0.020 . 1 . . . A 47 TYR HA . 25577 1 599 . 1 1 61 61 TYR HB2 H 1 3.269 0.020 . 1 . . . A 47 TYR HB2 . 25577 1 600 . 1 1 61 61 TYR HB3 H 1 3.009 0.020 . 1 . . . A 47 TYR HB3 . 25577 1 601 . 1 1 61 61 TYR HD1 H 1 7.066 0.020 . 1 . . . A 47 TYR HD1 . 25577 1 602 . 1 1 61 61 TYR HD2 H 1 7.066 0.020 . 1 . . . A 47 TYR HD2 . 25577 1 603 . 1 1 61 61 TYR HE1 H 1 6.636 0.020 . 1 . . . A 47 TYR HE1 . 25577 1 604 . 1 1 61 61 TYR HE2 H 1 6.636 0.020 . 1 . . . A 47 TYR HE2 . 25577 1 605 . 1 1 61 61 TYR C C 13 176.899 0.400 . 1 . . . A 47 TYR C . 25577 1 606 . 1 1 61 61 TYR CA C 13 62.994 0.400 . 1 . . . A 47 TYR CA . 25577 1 607 . 1 1 61 61 TYR CB C 13 38.197 0.400 . 1 . . . A 47 TYR CB . 25577 1 608 . 1 1 61 61 TYR CD2 C 13 131.890 0.400 . 1 . . . A 47 TYR CD2 . 25577 1 609 . 1 1 61 61 TYR CE1 C 13 118.723 0.400 . 1 . . . A 47 TYR CE1 . 25577 1 610 . 1 1 61 61 TYR CE2 C 13 118.723 0.400 . 1 . . . A 47 TYR CE2 . 25577 1 611 . 1 1 61 61 TYR N N 15 120.288 0.400 . 1 . . . A 47 TYR N . 25577 1 612 . 1 1 62 62 CYS H H 1 8.366 0.020 . 1 . . . A 48 CYS H . 25577 1 613 . 1 1 62 62 CYS HA H 1 3.754 0.020 . 1 . . . A 48 CYS HA . 25577 1 614 . 1 1 62 62 CYS HB2 H 1 3.082 0.020 . 2 . . . A 48 CYS HB2 . 25577 1 615 . 1 1 62 62 CYS HB3 H 1 3.163 0.020 . 2 . . . A 48 CYS HB3 . 25577 1 616 . 1 1 62 62 CYS C C 13 177.235 0.400 . 1 . . . A 48 CYS C . 25577 1 617 . 1 1 62 62 CYS CA C 13 65.706 0.400 . 1 . . . A 48 CYS CA . 25577 1 618 . 1 1 62 62 CYS CB C 13 26.125 0.400 . 1 . . . A 48 CYS CB . 25577 1 619 . 1 1 62 62 CYS N N 15 117.129 0.400 . 1 . . . A 48 CYS N . 25577 1 620 . 1 1 63 63 GLU H H 1 8.287 0.020 . 1 . . . A 49 GLU H . 25577 1 621 . 1 1 63 63 GLU HA H 1 4.050 0.020 . 1 . . . A 49 GLU HA . 25577 1 622 . 1 1 63 63 GLU HB2 H 1 2.134 0.020 . 1 . . . A 49 GLU HB2 . 25577 1 623 . 1 1 63 63 GLU HB3 H 1 2.051 0.020 . 1 . . . A 49 GLU HB3 . 25577 1 624 . 1 1 63 63 GLU HG2 H 1 2.238 0.020 . 1 . . . A 49 GLU HG2 . 25577 1 625 . 1 1 63 63 GLU HG3 H 1 2.421 0.020 . 1 . . . A 49 GLU HG3 . 25577 1 626 . 1 1 63 63 GLU C C 13 179.244 0.400 . 1 . . . A 49 GLU C . 25577 1 627 . 1 1 63 63 GLU CA C 13 59.146 0.400 . 1 . . . A 49 GLU CA . 25577 1 628 . 1 1 63 63 GLU CB C 13 29.547 0.400 . 1 . . . A 49 GLU CB . 25577 1 629 . 1 1 63 63 GLU CG C 13 36.422 0.400 . 1 . . . A 49 GLU CG . 25577 1 630 . 1 1 63 63 GLU N N 15 118.750 0.400 . 1 . . . A 49 GLU N . 25577 1 631 . 1 1 64 64 ARG H H 1 8.022 0.020 . 1 . . . A 50 ARG H . 25577 1 632 . 1 1 64 64 ARG HA H 1 4.045 0.020 . 1 . . . A 50 ARG HA . 25577 1 633 . 1 1 64 64 ARG HB2 H 1 1.909 0.020 . 1 . . . A 50 ARG HB2 . 25577 1 634 . 1 1 64 64 ARG HB3 H 1 1.989 0.020 . 1 . . . A 50 ARG HB3 . 25577 1 635 . 1 1 64 64 ARG HG2 H 1 1.765 0.020 . 2 . . . A 50 ARG HG2 . 25577 1 636 . 1 1 64 64 ARG HG3 H 1 1.765 0.020 . 2 . . . A 50 ARG HG3 . 25577 1 637 . 1 1 64 64 ARG HD2 H 1 3.119 0.020 . 1 . . . A 50 ARG HD2 . 25577 1 638 . 1 1 64 64 ARG HD3 H 1 3.170 0.020 . 1 . . . A 50 ARG HD3 . 25577 1 639 . 1 1 64 64 ARG C C 13 178.053 0.400 . 1 . . . A 50 ARG C . 25577 1 640 . 1 1 64 64 ARG CA C 13 58.720 0.400 . 1 . . . A 50 ARG CA . 25577 1 641 . 1 1 64 64 ARG CB C 13 30.096 0.400 . 1 . . . A 50 ARG CB . 25577 1 642 . 1 1 64 64 ARG CG C 13 26.928 0.400 . 1 . . . A 50 ARG CG . 25577 1 643 . 1 1 64 64 ARG CD C 13 43.553 0.400 . 1 . . . A 50 ARG CD . 25577 1 644 . 1 1 64 64 ARG N N 15 119.692 0.400 . 1 . . . A 50 ARG N . 25577 1 645 . 1 1 65 65 GLN H H 1 7.757 0.020 . 1 . . . A 51 GLN H . 25577 1 646 . 1 1 65 65 GLN HA H 1 4.251 0.020 . 1 . . . A 51 GLN HA . 25577 1 647 . 1 1 65 65 GLN HB2 H 1 1.349 0.020 . 1 . . . A 51 GLN HB2 . 25577 1 648 . 1 1 65 65 GLN HB3 H 1 1.986 0.020 . 1 . . . A 51 GLN HB3 . 25577 1 649 . 1 1 65 65 GLN HG2 H 1 1.632 0.020 . 2 . . . A 51 GLN HG2 . 25577 1 650 . 1 1 65 65 GLN HG3 H 1 1.632 0.020 . 2 . . . A 51 GLN HG3 . 25577 1 651 . 1 1 65 65 GLN HE21 H 1 6.721 0.020 . 1 . . . A 51 GLN HE21 . 25577 1 652 . 1 1 65 65 GLN HE22 H 1 6.773 0.020 . 1 . . . A 51 GLN HE22 . 25577 1 653 . 1 1 65 65 GLN C C 13 176.189 0.400 . 1 . . . A 51 GLN C . 25577 1 654 . 1 1 65 65 GLN CA C 13 54.707 0.400 . 1 . . . A 51 GLN CA . 25577 1 655 . 1 1 65 65 GLN CB C 13 30.485 0.400 . 1 . . . A 51 GLN CB . 25577 1 656 . 1 1 65 65 GLN CG C 13 33.597 0.400 . 1 . . . A 51 GLN CG . 25577 1 657 . 1 1 65 65 GLN N N 15 112.560 0.400 . 1 . . . A 51 GLN N . 25577 1 658 . 1 1 65 65 GLN NE2 N 15 109.415 0.400 . 1 . . . A 51 GLN NE2 . 25577 1 659 . 1 1 66 66 GLY H H 1 7.717 0.020 . 1 . . . A 52 GLY H . 25577 1 660 . 1 1 66 66 GLY HA2 H 1 3.890 0.020 . 2 . . . A 52 GLY HA2 . 25577 1 661 . 1 1 66 66 GLY HA3 H 1 3.890 0.020 . 2 . . . A 52 GLY HA3 . 25577 1 662 . 1 1 66 66 GLY C C 13 174.534 0.400 . 1 . . . A 52 GLY C . 25577 1 663 . 1 1 66 66 GLY CA C 13 46.763 0.400 . 1 . . . A 52 GLY CA . 25577 1 664 . 1 1 66 66 GLY N N 15 109.931 0.400 . 1 . . . A 52 GLY N . 25577 1 665 . 1 1 67 67 LEU H H 1 8.072 0.020 . 1 . . . A 53 LEU H . 25577 1 666 . 1 1 67 67 LEU HA H 1 4.665 0.020 . 1 . . . A 53 LEU HA . 25577 1 667 . 1 1 67 67 LEU HB2 H 1 1.381 0.020 . 1 . . . A 53 LEU HB2 . 25577 1 668 . 1 1 67 67 LEU HB3 H 1 1.451 0.020 . 1 . . . A 53 LEU HB3 . 25577 1 669 . 1 1 67 67 LEU HG H 1 1.348 0.020 . 1 . . . A 53 LEU HG . 25577 1 670 . 1 1 67 67 LEU HD11 H 1 0.824 0.020 . 2 . . . A 53 LEU HD11 . 25577 1 671 . 1 1 67 67 LEU HD12 H 1 0.824 0.020 . 2 . . . A 53 LEU HD12 . 25577 1 672 . 1 1 67 67 LEU HD13 H 1 0.824 0.020 . 2 . . . A 53 LEU HD13 . 25577 1 673 . 1 1 67 67 LEU HD21 H 1 0.788 0.020 . 2 . . . A 53 LEU HD21 . 25577 1 674 . 1 1 67 67 LEU HD22 H 1 0.788 0.020 . 2 . . . A 53 LEU HD22 . 25577 1 675 . 1 1 67 67 LEU HD23 H 1 0.788 0.020 . 2 . . . A 53 LEU HD23 . 25577 1 676 . 1 1 67 67 LEU C C 13 175.849 0.400 . 1 . . . A 53 LEU C . 25577 1 677 . 1 1 67 67 LEU CA C 13 52.898 0.400 . 1 . . . A 53 LEU CA . 25577 1 678 . 1 1 67 67 LEU CB C 13 45.944 0.400 . 1 . . . A 53 LEU CB . 25577 1 679 . 1 1 67 67 LEU CG C 13 26.363 0.400 . 1 . . . A 53 LEU CG . 25577 1 680 . 1 1 67 67 LEU CD1 C 13 26.314 0.400 . 1 . . . A 53 LEU CD1 . 25577 1 681 . 1 1 67 67 LEU CD2 C 13 22.480 0.400 . 1 . . . A 53 LEU CD2 . 25577 1 682 . 1 1 67 67 LEU N N 15 119.090 0.400 . 1 . . . A 53 LEU N . 25577 1 683 . 1 1 68 68 SER H H 1 8.528 0.020 . 1 . . . A 54 SER H . 25577 1 684 . 1 1 68 68 SER HA H 1 4.729 0.020 . 1 . . . A 54 SER HA . 25577 1 685 . 1 1 68 68 SER HB2 H 1 3.780 0.020 . 1 . . . A 54 SER HB2 . 25577 1 686 . 1 1 68 68 SER HB3 H 1 3.939 0.020 . 1 . . . A 54 SER HB3 . 25577 1 687 . 1 1 68 68 SER C C 13 175.812 0.400 . 1 . . . A 54 SER C . 25577 1 688 . 1 1 68 68 SER CA C 13 56.303 0.400 . 1 . . . A 54 SER CA . 25577 1 689 . 1 1 68 68 SER CB C 13 64.421 0.400 . 1 . . . A 54 SER CB . 25577 1 690 . 1 1 68 68 SER N N 15 114.717 0.400 . 1 . . . A 54 SER N . 25577 1 691 . 1 1 69 69 MET H H 1 9.001 0.020 . 1 . . . A 55 MET H . 25577 1 692 . 1 1 69 69 MET HA H 1 4.308 0.020 . 1 . . . A 55 MET HA . 25577 1 693 . 1 1 69 69 MET HB2 H 1 2.132 0.020 . 1 . . . A 55 MET HB2 . 25577 1 694 . 1 1 69 69 MET HB3 H 1 2.737 0.020 . 1 . . . A 55 MET HB3 . 25577 1 695 . 1 1 69 69 MET HG2 H 1 2.709 0.020 . 2 . . . A 55 MET HG2 . 25577 1 696 . 1 1 69 69 MET HG3 H 1 2.709 0.020 . 2 . . . A 55 MET HG3 . 25577 1 697 . 1 1 69 69 MET HE1 H 1 2.059 0.020 . 1 . . . A 55 MET HE1 . 25577 1 698 . 1 1 69 69 MET HE2 H 1 2.059 0.020 . 1 . . . A 55 MET HE2 . 25577 1 699 . 1 1 69 69 MET HE3 H 1 2.059 0.020 . 1 . . . A 55 MET HE3 . 25577 1 700 . 1 1 69 69 MET C C 13 177.479 0.400 . 1 . . . A 55 MET C . 25577 1 701 . 1 1 69 69 MET CA C 13 57.852 0.400 . 1 . . . A 55 MET CA . 25577 1 702 . 1 1 69 69 MET CB C 13 32.631 0.400 . 1 . . . A 55 MET CB . 25577 1 703 . 1 1 69 69 MET CG C 13 32.925 0.400 . 1 . . . A 55 MET CG . 25577 1 704 . 1 1 69 69 MET CE C 13 17.004 0.400 . 1 . . . A 55 MET CE . 25577 1 705 . 1 1 69 69 MET N N 15 126.367 0.400 . 1 . . . A 55 MET N . 25577 1 706 . 1 1 70 70 ARG H H 1 8.044 0.020 . 1 . . . A 56 ARG H . 25577 1 707 . 1 1 70 70 ARG HA H 1 4.269 0.020 . 1 . . . A 56 ARG HA . 25577 1 708 . 1 1 70 70 ARG HB2 H 1 1.781 0.020 . 1 . . . A 56 ARG HB2 . 25577 1 709 . 1 1 70 70 ARG HB3 H 1 1.887 0.020 . 1 . . . A 56 ARG HB3 . 25577 1 710 . 1 1 70 70 ARG HG2 H 1 1.650 0.020 . 2 . . . A 56 ARG HG2 . 25577 1 711 . 1 1 70 70 ARG HG3 H 1 1.650 0.020 . 2 . . . A 56 ARG HG3 . 25577 1 712 . 1 1 70 70 ARG HD2 H 1 3.199 0.020 . 2 . . . A 56 ARG HD2 . 25577 1 713 . 1 1 70 70 ARG HD3 H 1 3.199 0.020 . 2 . . . A 56 ARG HD3 . 25577 1 714 . 1 1 70 70 ARG HE H 1 7.231 0.020 . 1 . . . A 56 ARG HE . 25577 1 715 . 1 1 70 70 ARG C C 13 177.454 0.400 . 1 . . . A 56 ARG C . 25577 1 716 . 1 1 70 70 ARG CA C 13 57.480 0.400 . 1 . . . A 56 ARG CA . 25577 1 717 . 1 1 70 70 ARG CB C 13 30.111 0.400 . 1 . . . A 56 ARG CB . 25577 1 718 . 1 1 70 70 ARG CG C 13 27.285 0.400 . 1 . . . A 56 ARG CG . 25577 1 719 . 1 1 70 70 ARG CD C 13 43.059 0.400 . 1 . . . A 56 ARG CD . 25577 1 720 . 1 1 70 70 ARG N N 15 114.267 0.400 . 1 . . . A 56 ARG N . 25577 1 721 . 1 1 70 70 ARG NE N 15 84.973 0.400 . 1 . . . A 56 ARG NE . 25577 1 722 . 1 1 71 71 GLN H H 1 7.825 0.020 . 1 . . . A 57 GLN H . 25577 1 723 . 1 1 71 71 GLN HA H 1 4.440 0.020 . 1 . . . A 57 GLN HA . 25577 1 724 . 1 1 71 71 GLN HB2 H 1 2.342 0.020 . 1 . . . A 57 GLN HB2 . 25577 1 725 . 1 1 71 71 GLN HB3 H 1 2.189 0.020 . 1 . . . A 57 GLN HB3 . 25577 1 726 . 1 1 71 71 GLN HG2 H 1 2.396 0.020 . 1 . . . A 57 GLN HG2 . 25577 1 727 . 1 1 71 71 GLN HG3 H 1 2.317 0.020 . 1 . . . A 57 GLN HG3 . 25577 1 728 . 1 1 71 71 GLN HE21 H 1 7.589 0.020 . 1 . . . A 57 GLN HE21 . 25577 1 729 . 1 1 71 71 GLN HE22 H 1 6.937 0.020 . 1 . . . A 57 GLN HE22 . 25577 1 730 . 1 1 71 71 GLN C C 13 175.187 0.400 . 1 . . . A 57 GLN C . 25577 1 731 . 1 1 71 71 GLN CA C 13 55.887 0.400 . 1 . . . A 57 GLN CA . 25577 1 732 . 1 1 71 71 GLN CB C 13 31.048 0.400 . 1 . . . A 57 GLN CB . 25577 1 733 . 1 1 71 71 GLN CG C 13 34.753 0.400 . 1 . . . A 57 GLN CG . 25577 1 734 . 1 1 71 71 GLN N N 15 115.692 0.400 . 1 . . . A 57 GLN N . 25577 1 735 . 1 1 71 71 GLN NE2 N 15 112.023 0.400 . 1 . . . A 57 GLN NE2 . 25577 1 736 . 1 1 72 72 ILE H H 1 7.330 0.020 . 1 . . . A 58 ILE H . 25577 1 737 . 1 1 72 72 ILE HA H 1 4.967 0.020 . 1 . . . A 58 ILE HA . 25577 1 738 . 1 1 72 72 ILE HB H 1 1.640 0.020 . 1 . . . A 58 ILE HB . 25577 1 739 . 1 1 72 72 ILE HG12 H 1 1.191 0.020 . 1 . . . A 58 ILE HG12 . 25577 1 740 . 1 1 72 72 ILE HG13 H 1 1.143 0.020 . 1 . . . A 58 ILE HG13 . 25577 1 741 . 1 1 72 72 ILE HG21 H 1 0.620 0.020 . 1 . . . A 58 ILE HG21 . 25577 1 742 . 1 1 72 72 ILE HG22 H 1 0.620 0.020 . 1 . . . A 58 ILE HG22 . 25577 1 743 . 1 1 72 72 ILE HG23 H 1 0.620 0.020 . 1 . . . A 58 ILE HG23 . 25577 1 744 . 1 1 72 72 ILE HD11 H 1 0.695 0.020 . 1 . . . A 58 ILE HD11 . 25577 1 745 . 1 1 72 72 ILE HD12 H 1 0.695 0.020 . 1 . . . A 58 ILE HD12 . 25577 1 746 . 1 1 72 72 ILE HD13 H 1 0.695 0.020 . 1 . . . A 58 ILE HD13 . 25577 1 747 . 1 1 72 72 ILE C C 13 174.254 0.400 . 1 . . . A 58 ILE C . 25577 1 748 . 1 1 72 72 ILE CA C 13 58.963 0.400 . 1 . . . A 58 ILE CA . 25577 1 749 . 1 1 72 72 ILE CB C 13 41.220 0.400 . 1 . . . A 58 ILE CB . 25577 1 750 . 1 1 72 72 ILE CG1 C 13 25.489 0.400 . 1 . . . A 58 ILE CG1 . 25577 1 751 . 1 1 72 72 ILE CG2 C 13 19.142 0.400 . 1 . . . A 58 ILE CG2 . 25577 1 752 . 1 1 72 72 ILE CD1 C 13 14.627 0.400 . 1 . . . A 58 ILE CD1 . 25577 1 753 . 1 1 72 72 ILE N N 15 115.269 0.400 . 1 . . . A 58 ILE N . 25577 1 754 . 1 1 73 73 ARG H H 1 8.481 0.020 . 1 . . . A 59 ARG H . 25577 1 755 . 1 1 73 73 ARG HA H 1 4.615 0.020 . 1 . . . A 59 ARG HA . 25577 1 756 . 1 1 73 73 ARG HB2 H 1 1.721 0.020 . 2 . . . A 59 ARG HB2 . 25577 1 757 . 1 1 73 73 ARG HB3 H 1 1.335 0.020 . 2 . . . A 59 ARG HB3 . 25577 1 758 . 1 1 73 73 ARG HG2 H 1 1.445 0.020 . 2 . . . A 59 ARG HG2 . 25577 1 759 . 1 1 73 73 ARG HG3 H 1 1.497 0.020 . 2 . . . A 59 ARG HG3 . 25577 1 760 . 1 1 73 73 ARG HD2 H 1 3.142 0.020 . 2 . . . A 59 ARG HD2 . 25577 1 761 . 1 1 73 73 ARG HD3 H 1 3.256 0.020 . 2 . . . A 59 ARG HD3 . 25577 1 762 . 1 1 73 73 ARG HE H 1 7.377 0.020 . 1 . . . A 59 ARG HE . 25577 1 763 . 1 1 73 73 ARG C C 13 173.710 0.400 . 1 . . . A 59 ARG C . 25577 1 764 . 1 1 73 73 ARG CA C 13 53.767 0.400 . 1 . . . A 59 ARG CA . 25577 1 765 . 1 1 73 73 ARG CB C 13 33.272 0.400 . 1 . . . A 59 ARG CB . 25577 1 766 . 1 1 73 73 ARG CG C 13 26.797 0.400 . 1 . . . A 59 ARG CG . 25577 1 767 . 1 1 73 73 ARG CD C 13 43.224 0.400 . 1 . . . A 59 ARG CD . 25577 1 768 . 1 1 73 73 ARG N N 15 121.193 0.400 . 1 . . . A 59 ARG N . 25577 1 769 . 1 1 73 73 ARG NE N 15 84.011 0.400 . 1 . . . A 59 ARG NE . 25577 1 770 . 1 1 74 74 PHE H H 1 9.077 0.020 . 1 . . . A 60 PHE H . 25577 1 771 . 1 1 74 74 PHE HA H 1 5.312 0.020 . 1 . . . A 60 PHE HA . 25577 1 772 . 1 1 74 74 PHE HB2 H 1 2.854 0.020 . 1 . . . A 60 PHE HB2 . 25577 1 773 . 1 1 74 74 PHE HB3 H 1 2.592 0.020 . 1 . . . A 60 PHE HB3 . 25577 1 774 . 1 1 74 74 PHE HD1 H 1 7.047 0.020 . 1 . . . A 60 PHE HD1 . 25577 1 775 . 1 1 74 74 PHE HD2 H 1 7.047 0.020 . 1 . . . A 60 PHE HD2 . 25577 1 776 . 1 1 74 74 PHE HE1 H 1 6.842 0.020 . 1 . . . A 60 PHE HE1 . 25577 1 777 . 1 1 74 74 PHE HE2 H 1 6.842 0.020 . 1 . . . A 60 PHE HE2 . 25577 1 778 . 1 1 74 74 PHE HZ H 1 7.222 0.020 . 1 . . . A 60 PHE HZ . 25577 1 779 . 1 1 74 74 PHE C C 13 176.008 0.400 . 1 . . . A 60 PHE C . 25577 1 780 . 1 1 74 74 PHE CA C 13 56.197 0.400 . 1 . . . A 60 PHE CA . 25577 1 781 . 1 1 74 74 PHE CB C 13 41.686 0.400 . 1 . . . A 60 PHE CB . 25577 1 782 . 1 1 74 74 PHE CD1 C 13 132.271 0.400 . 1 . . . A 60 PHE CD1 . 25577 1 783 . 1 1 74 74 PHE CD2 C 13 132.271 0.400 . 1 . . . A 60 PHE CD2 . 25577 1 784 . 1 1 74 74 PHE CE1 C 13 130.732 0.400 . 1 . . . A 60 PHE CE1 . 25577 1 785 . 1 1 74 74 PHE CE2 C 13 130.732 0.400 . 1 . . . A 60 PHE CE2 . 25577 1 786 . 1 1 74 74 PHE CZ C 13 130.886 0.400 . 1 . . . A 60 PHE CZ . 25577 1 787 . 1 1 74 74 PHE N N 15 120.143 0.400 . 1 . . . A 60 PHE N . 25577 1 788 . 1 1 75 75 ARG H H 1 9.557 0.020 . 1 . . . A 61 ARG H . 25577 1 789 . 1 1 75 75 ARG HA H 1 5.215 0.020 . 1 . . . A 61 ARG HA . 25577 1 790 . 1 1 75 75 ARG HB2 H 1 1.531 0.020 . 1 . . . A 61 ARG HB2 . 25577 1 791 . 1 1 75 75 ARG HB3 H 1 1.719 0.020 . 1 . . . A 61 ARG HB3 . 25577 1 792 . 1 1 75 75 ARG HG2 H 1 1.273 0.020 . 1 . . . A 61 ARG HG2 . 25577 1 793 . 1 1 75 75 ARG HG3 H 1 1.402 0.020 . 1 . . . A 61 ARG HG3 . 25577 1 794 . 1 1 75 75 ARG HD2 H 1 2.670 0.020 . 1 . . . A 61 ARG HD2 . 25577 1 795 . 1 1 75 75 ARG HD3 H 1 2.708 0.020 . 1 . . . A 61 ARG HD3 . 25577 1 796 . 1 1 75 75 ARG HE H 1 7.167 0.020 . 1 . . . A 61 ARG HE . 25577 1 797 . 1 1 75 75 ARG C C 13 173.746 0.400 . 1 . . . A 61 ARG C . 25577 1 798 . 1 1 75 75 ARG CA C 13 54.878 0.400 . 1 . . . A 61 ARG CA . 25577 1 799 . 1 1 75 75 ARG CB C 13 35.959 0.400 . 1 . . . A 61 ARG CB . 25577 1 800 . 1 1 75 75 ARG CG C 13 27.791 0.400 . 1 . . . A 61 ARG CG . 25577 1 801 . 1 1 75 75 ARG CD C 13 43.619 0.400 . 1 . . . A 61 ARG CD . 25577 1 802 . 1 1 75 75 ARG N N 15 121.905 0.400 . 1 . . . A 61 ARG N . 25577 1 803 . 1 1 75 75 ARG NE N 15 83.640 0.400 . 1 . . . A 61 ARG NE . 25577 1 804 . 1 1 76 76 PHE H H 1 8.993 0.020 . 1 . . . A 62 PHE H . 25577 1 805 . 1 1 76 76 PHE HA H 1 5.322 0.020 . 1 . . . A 62 PHE HA . 25577 1 806 . 1 1 76 76 PHE HB2 H 1 2.936 0.020 . 1 . . . A 62 PHE HB2 . 25577 1 807 . 1 1 76 76 PHE HB3 H 1 2.832 0.020 . 1 . . . A 62 PHE HB3 . 25577 1 808 . 1 1 76 76 PHE HD1 H 1 7.347 0.020 . 1 . . . A 62 PHE HD1 . 25577 1 809 . 1 1 76 76 PHE HD2 H 1 7.347 0.020 . 1 . . . A 62 PHE HD2 . 25577 1 810 . 1 1 76 76 PHE HE1 H 1 7.277 0.020 . 1 . . . A 62 PHE HE1 . 25577 1 811 . 1 1 76 76 PHE HE2 H 1 7.277 0.020 . 1 . . . A 62 PHE HE2 . 25577 1 812 . 1 1 76 76 PHE HZ H 1 7.346 0.020 . 1 . . . A 62 PHE HZ . 25577 1 813 . 1 1 76 76 PHE C C 13 175.229 0.400 . 1 . . . A 62 PHE C . 25577 1 814 . 1 1 76 76 PHE CA C 13 55.932 0.400 . 1 . . . A 62 PHE CA . 25577 1 815 . 1 1 76 76 PHE CB C 13 41.890 0.400 . 1 . . . A 62 PHE CB . 25577 1 816 . 1 1 76 76 PHE CD1 C 13 131.795 0.400 . 1 . . . A 62 PHE CD1 . 25577 1 817 . 1 1 76 76 PHE CD2 C 13 131.795 0.400 . 1 . . . A 62 PHE CD2 . 25577 1 818 . 1 1 76 76 PHE CE1 C 13 131.658 0.400 . 1 . . . A 62 PHE CE1 . 25577 1 819 . 1 1 76 76 PHE CE2 C 13 131.684 0.400 . 1 . . . A 62 PHE CE2 . 25577 1 820 . 1 1 76 76 PHE CZ C 13 131.038 0.400 . 1 . . . A 62 PHE CZ . 25577 1 821 . 1 1 76 76 PHE N N 15 120.262 0.400 . 1 . . . A 62 PHE N . 25577 1 822 . 1 1 77 77 ASP H H 1 9.496 0.020 . 1 . . . A 63 ASP H . 25577 1 823 . 1 1 77 77 ASP HA H 1 4.010 0.020 . 1 . . . A 63 ASP HA . 25577 1 824 . 1 1 77 77 ASP HB2 H 1 2.613 0.020 . 1 . . . A 63 ASP HB2 . 25577 1 825 . 1 1 77 77 ASP HB3 H 1 1.413 0.020 . 1 . . . A 63 ASP HB3 . 25577 1 826 . 1 1 77 77 ASP C C 13 175.892 0.400 . 1 . . . A 63 ASP C . 25577 1 827 . 1 1 77 77 ASP CA C 13 54.508 0.400 . 1 . . . A 63 ASP CA . 25577 1 828 . 1 1 77 77 ASP CB C 13 39.233 0.400 . 1 . . . A 63 ASP CB . 25577 1 829 . 1 1 77 77 ASP N N 15 132.180 0.400 . 1 . . . A 63 ASP N . 25577 1 830 . 1 1 78 78 GLY H H 1 8.722 0.020 . 1 . . . A 64 GLY H . 25577 1 831 . 1 1 78 78 GLY HA2 H 1 3.460 0.020 . 1 . . . A 64 GLY HA2 . 25577 1 832 . 1 1 78 78 GLY HA3 H 1 4.129 0.020 . 1 . . . A 64 GLY HA3 . 25577 1 833 . 1 1 78 78 GLY C C 13 173.980 0.400 . 1 . . . A 64 GLY C . 25577 1 834 . 1 1 78 78 GLY CA C 13 45.237 0.400 . 1 . . . A 64 GLY CA . 25577 1 835 . 1 1 78 78 GLY N N 15 102.559 0.400 . 1 . . . A 64 GLY N . 25577 1 836 . 1 1 79 79 GLN H H 1 7.878 0.020 . 1 . . . A 65 GLN H . 25577 1 837 . 1 1 79 79 GLN HA H 1 4.904 0.020 . 1 . . . A 65 GLN HA . 25577 1 838 . 1 1 79 79 GLN HB2 H 1 2.045 0.020 . 2 . . . A 65 GLN HB2 . 25577 1 839 . 1 1 79 79 GLN HB3 H 1 2.184 0.020 . 2 . . . A 65 GLN HB3 . 25577 1 840 . 1 1 79 79 GLN HG2 H 1 2.396 0.020 . 1 . . . A 65 GLN HG2 . 25577 1 841 . 1 1 79 79 GLN HG3 H 1 2.326 0.020 . 1 . . . A 65 GLN HG3 . 25577 1 842 . 1 1 79 79 GLN HE21 H 1 7.554 0.020 . 1 . . . A 65 GLN HE21 . 25577 1 843 . 1 1 79 79 GLN HE22 H 1 6.923 0.020 . 1 . . . A 65 GLN HE22 . 25577 1 844 . 1 1 79 79 GLN C C 13 173.282 0.400 . 1 . . . A 65 GLN C . 25577 1 845 . 1 1 79 79 GLN CA C 13 52.237 0.400 . 1 . . . A 65 GLN CA . 25577 1 846 . 1 1 79 79 GLN CB C 13 30.021 0.400 . 1 . . . A 65 GLN CB . 25577 1 847 . 1 1 79 79 GLN CG C 13 32.987 0.400 . 1 . . . A 65 GLN CG . 25577 1 848 . 1 1 79 79 GLN N N 15 120.799 0.400 . 1 . . . A 65 GLN N . 25577 1 849 . 1 1 79 79 GLN NE2 N 15 112.576 0.400 . 1 . . . A 65 GLN NE2 . 25577 1 850 . 1 1 80 80 PRO HA H 1 4.691 0.020 . 1 . . . A 66 PRO HA . 25577 1 851 . 1 1 80 80 PRO HB2 H 1 2.327 0.020 . 1 . . . A 66 PRO HB2 . 25577 1 852 . 1 1 80 80 PRO HB3 H 1 1.949 0.020 . 1 . . . A 66 PRO HB3 . 25577 1 853 . 1 1 80 80 PRO HG2 H 1 1.916 0.020 . 1 . . . A 66 PRO HG2 . 25577 1 854 . 1 1 80 80 PRO HG3 H 1 2.172 0.020 . 1 . . . A 66 PRO HG3 . 25577 1 855 . 1 1 80 80 PRO HD2 H 1 3.835 0.020 . 1 . . . A 66 PRO HD2 . 25577 1 856 . 1 1 80 80 PRO HD3 H 1 3.743 0.020 . 1 . . . A 66 PRO HD3 . 25577 1 857 . 1 1 80 80 PRO C C 13 176.295 0.400 . 1 . . . A 66 PRO C . 25577 1 858 . 1 1 80 80 PRO CA C 13 63.299 0.400 . 1 . . . A 66 PRO CA . 25577 1 859 . 1 1 80 80 PRO CB C 13 32.410 0.400 . 1 . . . A 66 PRO CB . 25577 1 860 . 1 1 80 80 PRO CG C 13 27.723 0.400 . 1 . . . A 66 PRO CG . 25577 1 861 . 1 1 80 80 PRO CD C 13 50.873 0.400 . 1 . . . A 66 PRO CD . 25577 1 862 . 1 1 81 81 ILE H H 1 7.914 0.020 . 1 . . . A 67 ILE H . 25577 1 863 . 1 1 81 81 ILE HA H 1 4.399 0.020 . 1 . . . A 67 ILE HA . 25577 1 864 . 1 1 81 81 ILE HB H 1 1.654 0.020 . 1 . . . A 67 ILE HB . 25577 1 865 . 1 1 81 81 ILE HG12 H 1 0.841 0.020 . 1 . . . A 67 ILE HG12 . 25577 1 866 . 1 1 81 81 ILE HG13 H 1 1.367 0.020 . 1 . . . A 67 ILE HG13 . 25577 1 867 . 1 1 81 81 ILE HG21 H 1 0.849 0.020 . 1 . . . A 67 ILE HG21 . 25577 1 868 . 1 1 81 81 ILE HG22 H 1 0.849 0.020 . 1 . . . A 67 ILE HG22 . 25577 1 869 . 1 1 81 81 ILE HG23 H 1 0.849 0.020 . 1 . . . A 67 ILE HG23 . 25577 1 870 . 1 1 81 81 ILE HD11 H 1 0.624 0.020 . 1 . . . A 67 ILE HD11 . 25577 1 871 . 1 1 81 81 ILE HD12 H 1 0.624 0.020 . 1 . . . A 67 ILE HD12 . 25577 1 872 . 1 1 81 81 ILE HD13 H 1 0.624 0.020 . 1 . . . A 67 ILE HD13 . 25577 1 873 . 1 1 81 81 ILE C C 13 175.006 0.400 . 1 . . . A 67 ILE C . 25577 1 874 . 1 1 81 81 ILE CA C 13 60.322 0.400 . 1 . . . A 67 ILE CA . 25577 1 875 . 1 1 81 81 ILE CB C 13 40.314 0.400 . 1 . . . A 67 ILE CB . 25577 1 876 . 1 1 81 81 ILE CG1 C 13 26.817 0.400 . 1 . . . A 67 ILE CG1 . 25577 1 877 . 1 1 81 81 ILE CG2 C 13 19.510 0.400 . 1 . . . A 67 ILE CG2 . 25577 1 878 . 1 1 81 81 ILE CD1 C 13 15.068 0.400 . 1 . . . A 67 ILE CD1 . 25577 1 879 . 1 1 81 81 ILE N N 15 119.571 0.400 . 1 . . . A 67 ILE N . 25577 1 880 . 1 1 82 82 ASN H H 1 9.208 0.020 . 1 . . . A 68 ASN H . 25577 1 881 . 1 1 82 82 ASN HA H 1 4.976 0.020 . 1 . . . A 68 ASN HA . 25577 1 882 . 1 1 82 82 ASN HB2 H 1 2.609 0.020 . 1 . . . A 68 ASN HB2 . 25577 1 883 . 1 1 82 82 ASN HB3 H 1 2.774 0.020 . 1 . . . A 68 ASN HB3 . 25577 1 884 . 1 1 82 82 ASN HD21 H 1 6.979 0.020 . 1 . . . A 68 ASN HD21 . 25577 1 885 . 1 1 82 82 ASN HD22 H 1 7.997 0.020 . 1 . . . A 68 ASN HD22 . 25577 1 886 . 1 1 82 82 ASN C C 13 175.971 0.400 . 1 . . . A 68 ASN C . 25577 1 887 . 1 1 82 82 ASN CA C 13 51.994 0.400 . 1 . . . A 68 ASN CA . 25577 1 888 . 1 1 82 82 ASN CB C 13 41.074 0.400 . 1 . . . A 68 ASN CB . 25577 1 889 . 1 1 82 82 ASN N N 15 123.953 0.400 . 1 . . . A 68 ASN N . 25577 1 890 . 1 1 82 82 ASN ND2 N 15 116.635 0.400 . 1 . . . A 68 ASN ND2 . 25577 1 891 . 1 1 83 83 GLU H H 1 9.077 0.020 . 1 . . . A 69 GLU H . 25577 1 892 . 1 1 83 83 GLU HA H 1 3.741 0.020 . 1 . . . A 69 GLU HA . 25577 1 893 . 1 1 83 83 GLU HB2 H 1 1.972 0.020 . 1 . . . A 69 GLU HB2 . 25577 1 894 . 1 1 83 83 GLU HB3 H 1 2.027 0.020 . 1 . . . A 69 GLU HB3 . 25577 1 895 . 1 1 83 83 GLU HG2 H 1 2.235 0.020 . 1 . . . A 69 GLU HG2 . 25577 1 896 . 1 1 83 83 GLU HG3 H 1 2.319 0.020 . 1 . . . A 69 GLU HG3 . 25577 1 897 . 1 1 83 83 GLU C C 13 175.838 0.400 . 1 . . . A 69 GLU C . 25577 1 898 . 1 1 83 83 GLU CA C 13 59.799 0.400 . 1 . . . A 69 GLU CA . 25577 1 899 . 1 1 83 83 GLU CB C 13 30.629 0.400 . 1 . . . A 69 GLU CB . 25577 1 900 . 1 1 83 83 GLU CG C 13 37.611 0.400 . 1 . . . A 69 GLU CG . 25577 1 901 . 1 1 83 83 GLU N N 15 120.143 0.400 . 1 . . . A 69 GLU N . 25577 1 902 . 1 1 84 84 THR H H 1 7.237 0.020 . 1 . . . A 70 THR H . 25577 1 903 . 1 1 84 84 THR HA H 1 4.158 0.020 . 1 . . . A 70 THR HA . 25577 1 904 . 1 1 84 84 THR HB H 1 4.472 0.020 . 1 . . . A 70 THR HB . 25577 1 905 . 1 1 84 84 THR HG21 H 1 1.189 0.020 . 1 . . . A 70 THR HG21 . 25577 1 906 . 1 1 84 84 THR HG22 H 1 1.189 0.020 . 1 . . . A 70 THR HG22 . 25577 1 907 . 1 1 84 84 THR HG23 H 1 1.189 0.020 . 1 . . . A 70 THR HG23 . 25577 1 908 . 1 1 84 84 THR C C 13 175.613 0.400 . 1 . . . A 70 THR C . 25577 1 909 . 1 1 84 84 THR CA C 13 61.574 0.400 . 1 . . . A 70 THR CA . 25577 1 910 . 1 1 84 84 THR CB C 13 69.309 0.400 . 1 . . . A 70 THR CB . 25577 1 911 . 1 1 84 84 THR CG2 C 13 21.942 0.400 . 1 . . . A 70 THR CG2 . 25577 1 912 . 1 1 84 84 THR N N 15 102.126 0.400 . 1 . . . A 70 THR N . 25577 1 913 . 1 1 85 85 ASP H H 1 7.545 0.020 . 1 . . . A 71 ASP H . 25577 1 914 . 1 1 85 85 ASP HA H 1 4.723 0.020 . 1 . . . A 71 ASP HA . 25577 1 915 . 1 1 85 85 ASP HB2 H 1 2.872 0.020 . 1 . . . A 71 ASP HB2 . 25577 1 916 . 1 1 85 85 ASP HB3 H 1 2.415 0.020 . 1 . . . A 71 ASP HB3 . 25577 1 917 . 1 1 85 85 ASP C C 13 175.050 0.400 . 1 . . . A 71 ASP C . 25577 1 918 . 1 1 85 85 ASP CA C 13 55.242 0.400 . 1 . . . A 71 ASP CA . 25577 1 919 . 1 1 85 85 ASP CB C 13 42.034 0.400 . 1 . . . A 71 ASP CB . 25577 1 920 . 1 1 85 85 ASP N N 15 123.257 0.400 . 1 . . . A 71 ASP N . 25577 1 921 . 1 1 86 86 THR H H 1 7.416 0.020 . 1 . . . A 72 THR H . 25577 1 922 . 1 1 86 86 THR HA H 1 5.040 0.020 . 1 . . . A 72 THR HA . 25577 1 923 . 1 1 86 86 THR HB H 1 4.408 0.020 . 1 . . . A 72 THR HB . 25577 1 924 . 1 1 86 86 THR HG21 H 1 0.961 0.020 . 1 . . . A 72 THR HG21 . 25577 1 925 . 1 1 86 86 THR HG22 H 1 0.961 0.020 . 1 . . . A 72 THR HG22 . 25577 1 926 . 1 1 86 86 THR HG23 H 1 0.961 0.020 . 1 . . . A 72 THR HG23 . 25577 1 927 . 1 1 86 86 THR C C 13 173.366 0.400 . 1 . . . A 72 THR C . 25577 1 928 . 1 1 86 86 THR CA C 13 57.480 0.400 . 1 . . . A 72 THR CA . 25577 1 929 . 1 1 86 86 THR CB C 13 69.394 0.400 . 1 . . . A 72 THR CB . 25577 1 930 . 1 1 86 86 THR CG2 C 13 21.141 0.400 . 1 . . . A 72 THR CG2 . 25577 1 931 . 1 1 86 86 THR N N 15 108.703 0.400 . 1 . . . A 72 THR N . 25577 1 932 . 1 1 87 87 PRO HA H 1 4.207 0.020 . 1 . . . A 73 PRO HA . 25577 1 933 . 1 1 87 87 PRO HB2 H 1 2.079 0.020 . 1 . . . A 73 PRO HB2 . 25577 1 934 . 1 1 87 87 PRO HB3 H 1 1.786 0.020 . 1 . . . A 73 PRO HB3 . 25577 1 935 . 1 1 87 87 PRO HG2 H 1 1.585 0.020 . 1 . . . A 73 PRO HG2 . 25577 1 936 . 1 1 87 87 PRO HG3 H 1 2.014 0.020 . 1 . . . A 73 PRO HG3 . 25577 1 937 . 1 1 87 87 PRO HD2 H 1 3.839 0.020 . 2 . . . A 73 PRO HD2 . 25577 1 938 . 1 1 87 87 PRO HD3 H 1 3.839 0.020 . 2 . . . A 73 PRO HD3 . 25577 1 939 . 1 1 87 87 PRO C C 13 178.772 0.400 . 1 . . . A 73 PRO C . 25577 1 940 . 1 1 87 87 PRO CA C 13 65.600 0.400 . 1 . . . A 73 PRO CA . 25577 1 941 . 1 1 87 87 PRO CB C 13 32.155 0.400 . 1 . . . A 73 PRO CB . 25577 1 942 . 1 1 87 87 PRO CG C 13 27.913 0.400 . 1 . . . A 73 PRO CG . 25577 1 943 . 1 1 87 87 PRO CD C 13 51.202 0.400 . 1 . . . A 73 PRO CD . 25577 1 944 . 1 1 88 88 ALA H H 1 8.296 0.020 . 1 . . . A 74 ALA H . 25577 1 945 . 1 1 88 88 ALA HA H 1 4.028 0.020 . 1 . . . A 74 ALA HA . 25577 1 946 . 1 1 88 88 ALA HB1 H 1 0.987 0.020 . 1 . . . A 74 ALA HB1 . 25577 1 947 . 1 1 88 88 ALA HB2 H 1 0.987 0.020 . 1 . . . A 74 ALA HB2 . 25577 1 948 . 1 1 88 88 ALA HB3 H 1 0.987 0.020 . 1 . . . A 74 ALA HB3 . 25577 1 949 . 1 1 88 88 ALA C C 13 181.479 0.400 . 1 . . . A 74 ALA C . 25577 1 950 . 1 1 88 88 ALA CA C 13 54.630 0.400 . 1 . . . A 74 ALA CA . 25577 1 951 . 1 1 88 88 ALA CB C 13 18.428 0.400 . 1 . . . A 74 ALA CB . 25577 1 952 . 1 1 88 88 ALA N N 15 116.924 0.400 . 1 . . . A 74 ALA N . 25577 1 953 . 1 1 89 89 GLN H H 1 7.978 0.020 . 1 . . . A 75 GLN H . 25577 1 954 . 1 1 89 89 GLN HA H 1 3.989 0.020 . 1 . . . A 75 GLN HA . 25577 1 955 . 1 1 89 89 GLN HB2 H 1 2.121 0.020 . 2 . . . A 75 GLN HB2 . 25577 1 956 . 1 1 89 89 GLN HB3 H 1 2.289 0.020 . 2 . . . A 75 GLN HB3 . 25577 1 957 . 1 1 89 89 GLN HG2 H 1 2.438 0.020 . 2 . . . A 75 GLN HG2 . 25577 1 958 . 1 1 89 89 GLN HG3 H 1 2.438 0.020 . 2 . . . A 75 GLN HG3 . 25577 1 959 . 1 1 89 89 GLN HE21 H 1 6.775 0.020 . 2 . . . A 75 GLN HE21 . 25577 1 960 . 1 1 89 89 GLN HE22 H 1 7.477 0.020 . 2 . . . A 75 GLN HE22 . 25577 1 961 . 1 1 89 89 GLN C C 13 177.971 0.400 . 1 . . . A 75 GLN C . 25577 1 962 . 1 1 89 89 GLN CA C 13 58.460 0.400 . 1 . . . A 75 GLN CA . 25577 1 963 . 1 1 89 89 GLN CB C 13 28.722 0.400 . 1 . . . A 75 GLN CB . 25577 1 964 . 1 1 89 89 GLN CG C 13 33.702 0.400 . 1 . . . A 75 GLN CG . 25577 1 965 . 1 1 89 89 GLN N N 15 120.198 0.400 . 1 . . . A 75 GLN N . 25577 1 966 . 1 1 89 89 GLN NE2 N 15 110.459 0.400 . 1 . . . A 75 GLN NE2 . 25577 1 967 . 1 1 90 90 LEU H H 1 7.407 0.020 . 1 . . . A 76 LEU H . 25577 1 968 . 1 1 90 90 LEU HA H 1 4.327 0.020 . 1 . . . A 76 LEU HA . 25577 1 969 . 1 1 90 90 LEU HB2 H 1 1.568 0.020 . 2 . . . A 76 LEU HB2 . 25577 1 970 . 1 1 90 90 LEU HB3 H 1 1.650 0.020 . 2 . . . A 76 LEU HB3 . 25577 1 971 . 1 1 90 90 LEU HG H 1 1.676 0.020 . 1 . . . A 76 LEU HG . 25577 1 972 . 1 1 90 90 LEU HD11 H 1 0.778 0.020 . 2 . . . A 76 LEU HD11 . 25577 1 973 . 1 1 90 90 LEU HD12 H 1 0.778 0.020 . 2 . . . A 76 LEU HD12 . 25577 1 974 . 1 1 90 90 LEU HD13 H 1 0.778 0.020 . 2 . . . A 76 LEU HD13 . 25577 1 975 . 1 1 90 90 LEU HD21 H 1 0.867 0.020 . 2 . . . A 76 LEU HD21 . 25577 1 976 . 1 1 90 90 LEU HD22 H 1 0.867 0.020 . 2 . . . A 76 LEU HD22 . 25577 1 977 . 1 1 90 90 LEU HD23 H 1 0.867 0.020 . 2 . . . A 76 LEU HD23 . 25577 1 978 . 1 1 90 90 LEU C C 13 174.709 0.400 . 1 . . . A 76 LEU C . 25577 1 979 . 1 1 90 90 LEU CA C 13 54.373 0.400 . 1 . . . A 76 LEU CA . 25577 1 980 . 1 1 90 90 LEU CB C 13 42.176 0.400 . 1 . . . A 76 LEU CB . 25577 1 981 . 1 1 90 90 LEU CG C 13 27.438 0.400 . 1 . . . A 76 LEU CG . 25577 1 982 . 1 1 90 90 LEU CD1 C 13 26.256 0.400 . 1 . . . A 76 LEU CD1 . 25577 1 983 . 1 1 90 90 LEU CD2 C 13 22.174 0.400 . 1 . . . A 76 LEU CD2 . 25577 1 984 . 1 1 90 90 LEU N N 15 116.933 0.400 . 1 . . . A 76 LEU N . 25577 1 985 . 1 1 91 91 GLU H H 1 7.692 0.020 . 1 . . . A 77 GLU H . 25577 1 986 . 1 1 91 91 GLU HA H 1 3.802 0.020 . 1 . . . A 77 GLU HA . 25577 1 987 . 1 1 91 91 GLU HB2 H 1 2.136 0.020 . 2 . . . A 77 GLU HB2 . 25577 1 988 . 1 1 91 91 GLU HB3 H 1 2.272 0.020 . 2 . . . A 77 GLU HB3 . 25577 1 989 . 1 1 91 91 GLU HG2 H 1 2.129 0.020 . 2 . . . A 77 GLU HG2 . 25577 1 990 . 1 1 91 91 GLU HG3 H 1 2.129 0.020 . 2 . . . A 77 GLU HG3 . 25577 1 991 . 1 1 91 91 GLU C C 13 176.036 0.400 . 1 . . . A 77 GLU C . 25577 1 992 . 1 1 91 91 GLU CA C 13 57.246 0.400 . 1 . . . A 77 GLU CA . 25577 1 993 . 1 1 91 91 GLU CB C 13 26.480 0.400 . 1 . . . A 77 GLU CB . 25577 1 994 . 1 1 91 91 GLU CG C 13 36.772 0.400 . 1 . . . A 77 GLU CG . 25577 1 995 . 1 1 91 91 GLU N N 15 114.084 0.400 . 1 . . . A 77 GLU N . 25577 1 996 . 1 1 92 92 MET H H 1 7.794 0.020 . 1 . . . A 78 MET H . 25577 1 997 . 1 1 92 92 MET HA H 1 4.210 0.020 . 1 . . . A 78 MET HA . 25577 1 998 . 1 1 92 92 MET HB2 H 1 1.741 0.020 . 1 . . . A 78 MET HB2 . 25577 1 999 . 1 1 92 92 MET HB3 H 1 1.257 0.020 . 1 . . . A 78 MET HB3 . 25577 1 1000 . 1 1 92 92 MET HG2 H 1 1.261 0.020 . 1 . . . A 78 MET HG2 . 25577 1 1001 . 1 1 92 92 MET HG3 H 1 2.128 0.020 . 1 . . . A 78 MET HG3 . 25577 1 1002 . 1 1 92 92 MET HE1 H 1 1.153 0.020 . 1 . . . A 78 MET HE1 . 25577 1 1003 . 1 1 92 92 MET HE2 H 1 1.153 0.020 . 1 . . . A 78 MET HE2 . 25577 1 1004 . 1 1 92 92 MET HE3 H 1 1.153 0.020 . 1 . . . A 78 MET HE3 . 25577 1 1005 . 1 1 92 92 MET C C 13 175.182 0.400 . 1 . . . A 78 MET C . 25577 1 1006 . 1 1 92 92 MET CA C 13 56.863 0.400 . 1 . . . A 78 MET CA . 25577 1 1007 . 1 1 92 92 MET CB C 13 34.776 0.400 . 1 . . . A 78 MET CB . 25577 1 1008 . 1 1 92 92 MET CG C 13 33.514 0.400 . 1 . . . A 78 MET CG . 25577 1 1009 . 1 1 92 92 MET CE C 13 18.440 0.400 . 1 . . . A 78 MET CE . 25577 1 1010 . 1 1 92 92 MET N N 15 116.523 0.400 . 1 . . . A 78 MET N . 25577 1 1011 . 1 1 93 93 GLU H H 1 9.387 0.020 . 1 . . . A 79 GLU H . 25577 1 1012 . 1 1 93 93 GLU HA H 1 4.491 0.020 . 1 . . . A 79 GLU HA . 25577 1 1013 . 1 1 93 93 GLU HB2 H 1 1.756 0.020 . 2 . . . A 79 GLU HB2 . 25577 1 1014 . 1 1 93 93 GLU HB3 H 1 2.064 0.020 . 2 . . . A 79 GLU HB3 . 25577 1 1015 . 1 1 93 93 GLU HG2 H 1 2.195 0.020 . 2 . . . A 79 GLU HG2 . 25577 1 1016 . 1 1 93 93 GLU HG3 H 1 2.302 0.020 . 2 . . . A 79 GLU HG3 . 25577 1 1017 . 1 1 93 93 GLU C C 13 174.576 0.400 . 1 . . . A 79 GLU C . 25577 1 1018 . 1 1 93 93 GLU CA C 13 53.549 0.400 . 1 . . . A 79 GLU CA . 25577 1 1019 . 1 1 93 93 GLU CB C 13 33.202 0.400 . 1 . . . A 79 GLU CB . 25577 1 1020 . 1 1 93 93 GLU CG C 13 35.807 0.400 . 1 . . . A 79 GLU CG . 25577 1 1021 . 1 1 93 93 GLU N N 15 121.947 0.400 . 1 . . . A 79 GLU N . 25577 1 1022 . 1 1 94 94 ASP H H 1 8.471 0.020 . 1 . . . A 80 ASP H . 25577 1 1023 . 1 1 94 94 ASP HA H 1 4.526 0.020 . 1 . . . A 80 ASP HA . 25577 1 1024 . 1 1 94 94 ASP HB2 H 1 2.634 0.020 . 2 . . . A 80 ASP HB2 . 25577 1 1025 . 1 1 94 94 ASP HB3 H 1 2.634 0.020 . 2 . . . A 80 ASP HB3 . 25577 1 1026 . 1 1 94 94 ASP C C 13 177.424 0.400 . 1 . . . A 80 ASP C . 25577 1 1027 . 1 1 94 94 ASP CA C 13 56.902 0.400 . 1 . . . A 80 ASP CA . 25577 1 1028 . 1 1 94 94 ASP CB C 13 41.911 0.400 . 1 . . . A 80 ASP CB . 25577 1 1029 . 1 1 94 94 ASP N N 15 118.098 0.400 . 1 . . . A 80 ASP N . 25577 1 1030 . 1 1 95 95 GLU H H 1 9.510 0.020 . 1 . . . A 81 GLU H . 25577 1 1031 . 1 1 95 95 GLU HA H 1 3.713 0.020 . 1 . . . A 81 GLU HA . 25577 1 1032 . 1 1 95 95 GLU HB2 H 1 2.218 0.020 . 2 . . . A 81 GLU HB2 . 25577 1 1033 . 1 1 95 95 GLU HB3 H 1 2.426 0.020 . 2 . . . A 81 GLU HB3 . 25577 1 1034 . 1 1 95 95 GLU HG2 H 1 2.274 0.020 . 1 . . . A 81 GLU HG2 . 25577 1 1035 . 1 1 95 95 GLU HG3 H 1 2.048 0.020 . 1 . . . A 81 GLU HG3 . 25577 1 1036 . 1 1 95 95 GLU C C 13 175.549 0.400 . 1 . . . A 81 GLU C . 25577 1 1037 . 1 1 95 95 GLU CA C 13 58.291 0.400 . 1 . . . A 81 GLU CA . 25577 1 1038 . 1 1 95 95 GLU CB C 13 26.258 0.400 . 1 . . . A 81 GLU CB . 25577 1 1039 . 1 1 95 95 GLU CG C 13 36.120 0.400 . 1 . . . A 81 GLU CG . 25577 1 1040 . 1 1 95 95 GLU N N 15 116.425 0.400 . 1 . . . A 81 GLU N . 25577 1 1041 . 1 1 96 96 ASP H H 1 8.025 0.020 . 1 . . . A 82 ASP H . 25577 1 1042 . 1 1 96 96 ASP HA H 1 4.866 0.020 . 1 . . . A 82 ASP HA . 25577 1 1043 . 1 1 96 96 ASP HB2 H 1 2.947 0.020 . 2 . . . A 82 ASP HB2 . 25577 1 1044 . 1 1 96 96 ASP HB3 H 1 2.661 0.020 . 2 . . . A 82 ASP HB3 . 25577 1 1045 . 1 1 96 96 ASP C C 13 174.496 0.400 . 1 . . . A 82 ASP C . 25577 1 1046 . 1 1 96 96 ASP CA C 13 55.881 0.400 . 1 . . . A 82 ASP CA . 25577 1 1047 . 1 1 96 96 ASP CB C 13 42.038 0.400 . 1 . . . A 82 ASP CB . 25577 1 1048 . 1 1 96 96 ASP N N 15 120.671 0.400 . 1 . . . A 82 ASP N . 25577 1 1049 . 1 1 97 97 THR H H 1 8.430 0.020 . 1 . . . A 83 THR H . 25577 1 1050 . 1 1 97 97 THR HA H 1 5.183 0.020 . 1 . . . A 83 THR HA . 25577 1 1051 . 1 1 97 97 THR HB H 1 3.927 0.020 . 1 . . . A 83 THR HB . 25577 1 1052 . 1 1 97 97 THR HG21 H 1 1.061 0.020 . 1 . . . A 83 THR HG21 . 25577 1 1053 . 1 1 97 97 THR HG22 H 1 1.061 0.020 . 1 . . . A 83 THR HG22 . 25577 1 1054 . 1 1 97 97 THR HG23 H 1 1.061 0.020 . 1 . . . A 83 THR HG23 . 25577 1 1055 . 1 1 97 97 THR C C 13 174.030 0.400 . 1 . . . A 83 THR C . 25577 1 1056 . 1 1 97 97 THR CA C 13 62.228 0.400 . 1 . . . A 83 THR CA . 25577 1 1057 . 1 1 97 97 THR CB C 13 71.495 0.400 . 1 . . . A 83 THR CB . 25577 1 1058 . 1 1 97 97 THR CG2 C 13 22.457 0.400 . 1 . . . A 83 THR CG2 . 25577 1 1059 . 1 1 97 97 THR N N 15 113.661 0.400 . 1 . . . A 83 THR N . 25577 1 1060 . 1 1 98 98 ILE H H 1 9.469 0.020 . 1 . . . A 84 ILE H . 25577 1 1061 . 1 1 98 98 ILE HA H 1 4.548 0.020 . 1 . . . A 84 ILE HA . 25577 1 1062 . 1 1 98 98 ILE HB H 1 1.747 0.020 . 1 . . . A 84 ILE HB . 25577 1 1063 . 1 1 98 98 ILE HG12 H 1 0.784 0.020 . 1 . . . A 84 ILE HG12 . 25577 1 1064 . 1 1 98 98 ILE HG13 H 1 1.610 0.020 . 1 . . . A 84 ILE HG13 . 25577 1 1065 . 1 1 98 98 ILE HG21 H 1 0.938 0.020 . 1 . . . A 84 ILE HG21 . 25577 1 1066 . 1 1 98 98 ILE HG22 H 1 0.938 0.020 . 1 . . . A 84 ILE HG22 . 25577 1 1067 . 1 1 98 98 ILE HG23 H 1 0.938 0.020 . 1 . . . A 84 ILE HG23 . 25577 1 1068 . 1 1 98 98 ILE HD11 H 1 0.569 0.020 . 1 . . . A 84 ILE HD11 . 25577 1 1069 . 1 1 98 98 ILE HD12 H 1 0.569 0.020 . 1 . . . A 84 ILE HD12 . 25577 1 1070 . 1 1 98 98 ILE HD13 H 1 0.569 0.020 . 1 . . . A 84 ILE HD13 . 25577 1 1071 . 1 1 98 98 ILE C C 13 173.653 0.400 . 1 . . . A 84 ILE C . 25577 1 1072 . 1 1 98 98 ILE CA C 13 60.477 0.400 . 1 . . . A 84 ILE CA . 25577 1 1073 . 1 1 98 98 ILE CB C 13 40.992 0.400 . 1 . . . A 84 ILE CB . 25577 1 1074 . 1 1 98 98 ILE CG1 C 13 28.150 0.400 . 1 . . . A 84 ILE CG1 . 25577 1 1075 . 1 1 98 98 ILE CG2 C 13 18.572 0.400 . 1 . . . A 84 ILE CG2 . 25577 1 1076 . 1 1 98 98 ILE CD1 C 13 14.726 0.400 . 1 . . . A 84 ILE CD1 . 25577 1 1077 . 1 1 98 98 ILE N N 15 127.249 0.400 . 1 . . . A 84 ILE N . 25577 1 1078 . 1 1 99 99 ASP H H 1 9.018 0.020 . 1 . . . A 85 ASP H . 25577 1 1079 . 1 1 99 99 ASP HA H 1 5.306 0.020 . 1 . . . A 85 ASP HA . 25577 1 1080 . 1 1 99 99 ASP HB2 H 1 2.498 0.020 . 2 . . . A 85 ASP HB2 . 25577 1 1081 . 1 1 99 99 ASP HB3 H 1 2.498 0.020 . 2 . . . A 85 ASP HB3 . 25577 1 1082 . 1 1 99 99 ASP C C 13 174.862 0.400 . 1 . . . A 85 ASP C . 25577 1 1083 . 1 1 99 99 ASP CA C 13 54.132 0.400 . 1 . . . A 85 ASP CA . 25577 1 1084 . 1 1 99 99 ASP CB C 13 44.907 0.400 . 1 . . . A 85 ASP CB . 25577 1 1085 . 1 1 99 99 ASP N N 15 126.432 0.400 . 1 . . . A 85 ASP N . 25577 1 1086 . 1 1 100 100 VAL H H 1 7.797 0.020 . 1 . . . A 86 VAL H . 25577 1 1087 . 1 1 100 100 VAL HA H 1 4.692 0.020 . 1 . . . A 86 VAL HA . 25577 1 1088 . 1 1 100 100 VAL HB H 1 1.468 0.020 . 1 . . . A 86 VAL HB . 25577 1 1089 . 1 1 100 100 VAL HG11 H 1 0.451 0.020 . 2 . . . A 86 VAL HG11 . 25577 1 1090 . 1 1 100 100 VAL HG12 H 1 0.451 0.020 . 2 . . . A 86 VAL HG12 . 25577 1 1091 . 1 1 100 100 VAL HG13 H 1 0.451 0.020 . 2 . . . A 86 VAL HG13 . 25577 1 1092 . 1 1 100 100 VAL HG21 H 1 0.289 0.020 . 2 . . . A 86 VAL HG21 . 25577 1 1093 . 1 1 100 100 VAL HG22 H 1 0.289 0.020 . 2 . . . A 86 VAL HG22 . 25577 1 1094 . 1 1 100 100 VAL HG23 H 1 0.289 0.020 . 2 . . . A 86 VAL HG23 . 25577 1 1095 . 1 1 100 100 VAL C C 13 174.851 0.400 . 1 . . . A 86 VAL C . 25577 1 1096 . 1 1 100 100 VAL CA C 13 60.109 0.400 . 1 . . . A 86 VAL CA . 25577 1 1097 . 1 1 100 100 VAL CB C 13 34.234 0.400 . 1 . . . A 86 VAL CB . 25577 1 1098 . 1 1 100 100 VAL CG1 C 13 21.566 0.400 . 1 . . . A 86 VAL CG1 . 25577 1 1099 . 1 1 100 100 VAL CG2 C 13 21.960 0.400 . 1 . . . A 86 VAL CG2 . 25577 1 1100 . 1 1 100 100 VAL N N 15 118.699 0.400 . 1 . . . A 86 VAL N . 25577 1 1101 . 1 1 101 101 PHE H H 1 8.671 0.020 . 1 . . . A 87 PHE H . 25577 1 1102 . 1 1 101 101 PHE HA H 1 4.696 0.020 . 1 . . . A 87 PHE HA . 25577 1 1103 . 1 1 101 101 PHE HB2 H 1 2.959 0.020 . 1 . . . A 87 PHE HB2 . 25577 1 1104 . 1 1 101 101 PHE HB3 H 1 2.661 0.020 . 1 . . . A 87 PHE HB3 . 25577 1 1105 . 1 1 101 101 PHE HD1 H 1 6.992 0.020 . 1 . . . A 87 PHE HD1 . 25577 1 1106 . 1 1 101 101 PHE HD2 H 1 6.992 0.020 . 1 . . . A 87 PHE HD2 . 25577 1 1107 . 1 1 101 101 PHE HE1 H 1 7.107 0.020 . 1 . . . A 87 PHE HE1 . 25577 1 1108 . 1 1 101 101 PHE HE2 H 1 7.107 0.020 . 1 . . . A 87 PHE HE2 . 25577 1 1109 . 1 1 101 101 PHE HZ H 1 7.170 0.020 . 1 . . . A 87 PHE HZ . 25577 1 1110 . 1 1 101 101 PHE C C 13 174.190 0.400 . 1 . . . A 87 PHE C . 25577 1 1111 . 1 1 101 101 PHE CA C 13 56.195 0.400 . 1 . . . A 87 PHE CA . 25577 1 1112 . 1 1 101 101 PHE CB C 13 42.049 0.400 . 1 . . . A 87 PHE CB . 25577 1 1113 . 1 1 101 101 PHE CD1 C 13 131.817 0.400 . 1 . . . A 87 PHE CD1 . 25577 1 1114 . 1 1 101 101 PHE CD2 C 13 131.817 0.400 . 1 . . . A 87 PHE CD2 . 25577 1 1115 . 1 1 101 101 PHE CE1 C 13 131.008 0.400 . 1 . . . A 87 PHE CE1 . 25577 1 1116 . 1 1 101 101 PHE CE2 C 13 131.388 0.400 . 1 . . . A 87 PHE CE2 . 25577 1 1117 . 1 1 101 101 PHE CZ C 13 129.683 0.400 . 1 . . . A 87 PHE CZ . 25577 1 1118 . 1 1 101 101 PHE N N 15 124.649 0.400 . 1 . . . A 87 PHE N . 25577 1 1119 . 1 1 102 102 GLN H H 1 8.655 0.020 . 1 . . . A 88 GLN H . 25577 1 1120 . 1 1 102 102 GLN HA H 1 4.624 0.020 . 1 . . . A 88 GLN HA . 25577 1 1121 . 1 1 102 102 GLN HB2 H 1 1.925 0.020 . 1 . . . A 88 GLN HB2 . 25577 1 1122 . 1 1 102 102 GLN HB3 H 1 2.078 0.020 . 1 . . . A 88 GLN HB3 . 25577 1 1123 . 1 1 102 102 GLN HG2 H 1 2.279 0.020 . 2 . . . A 88 GLN HG2 . 25577 1 1124 . 1 1 102 102 GLN HG3 H 1 2.315 0.020 . 2 . . . A 88 GLN HG3 . 25577 1 1125 . 1 1 102 102 GLN HE21 H 1 6.764 0.020 . 2 . . . A 88 GLN HE21 . 25577 1 1126 . 1 1 102 102 GLN HE22 H 1 7.468 0.020 . 2 . . . A 88 GLN HE22 . 25577 1 1127 . 1 1 102 102 GLN C C 13 175.350 0.400 . 1 . . . A 88 GLN C . 25577 1 1128 . 1 1 102 102 GLN CA C 13 55.415 0.400 . 1 . . . A 88 GLN CA . 25577 1 1129 . 1 1 102 102 GLN CB C 13 29.947 0.400 . 1 . . . A 88 GLN CB . 25577 1 1130 . 1 1 102 102 GLN CG C 13 34.087 0.400 . 1 . . . A 88 GLN CG . 25577 1 1131 . 1 1 102 102 GLN N N 15 121.567 0.400 . 1 . . . A 88 GLN N . 25577 1 1132 . 1 1 102 102 GLN NE2 N 15 111.238 0.400 . 1 . . . A 88 GLN NE2 . 25577 1 1133 . 1 1 103 103 GLN H H 1 8.347 0.020 . 1 . . . A 89 GLN H . 25577 1 1134 . 1 1 103 103 GLN HA H 1 4.313 0.020 . 1 . . . A 89 GLN HA . 25577 1 1135 . 1 1 103 103 GLN HB2 H 1 1.864 0.020 . 2 . . . A 89 GLN HB2 . 25577 1 1136 . 1 1 103 103 GLN HB3 H 1 1.939 0.020 . 2 . . . A 89 GLN HB3 . 25577 1 1137 . 1 1 103 103 GLN HG2 H 1 2.218 0.020 . 2 . . . A 89 GLN HG2 . 25577 1 1138 . 1 1 103 103 GLN HG3 H 1 2.218 0.020 . 2 . . . A 89 GLN HG3 . 25577 1 1139 . 1 1 103 103 GLN HE21 H 1 7.385 0.020 . 2 . . . A 89 GLN HE21 . 25577 1 1140 . 1 1 103 103 GLN HE22 H 1 6.821 0.020 . 2 . . . A 89 GLN HE22 . 25577 1 1141 . 1 1 103 103 GLN C C 13 175.364 0.400 . 1 . . . A 89 GLN C . 25577 1 1142 . 1 1 103 103 GLN CA C 13 55.713 0.400 . 1 . . . A 89 GLN CA . 25577 1 1143 . 1 1 103 103 GLN CB C 13 29.759 0.400 . 1 . . . A 89 GLN CB . 25577 1 1144 . 1 1 103 103 GLN CG C 13 33.565 0.400 . 1 . . . A 89 GLN CG . 25577 1 1145 . 1 1 103 103 GLN N N 15 123.164 0.400 . 1 . . . A 89 GLN N . 25577 1 1146 . 1 1 103 103 GLN NE2 N 15 111.881 0.400 . 1 . . . A 89 GLN NE2 . 25577 1 1147 . 1 1 104 104 GLN H H 1 8.705 0.020 . 1 . . . A 90 GLN H . 25577 1 1148 . 1 1 104 104 GLN HA H 1 4.255 0.020 . 1 . . . A 90 GLN HA . 25577 1 1149 . 1 1 104 104 GLN HB2 H 1 1.991 0.020 . 2 . . . A 90 GLN HB2 . 25577 1 1150 . 1 1 104 104 GLN HB3 H 1 1.991 0.020 . 2 . . . A 90 GLN HB3 . 25577 1 1151 . 1 1 104 104 GLN HG2 H 1 2.364 0.020 . 2 . . . A 90 GLN HG2 . 25577 1 1152 . 1 1 104 104 GLN HG3 H 1 2.364 0.020 . 2 . . . A 90 GLN HG3 . 25577 1 1153 . 1 1 104 104 GLN HE21 H 1 7.566 0.020 . 2 . . . A 90 GLN HE21 . 25577 1 1154 . 1 1 104 104 GLN HE22 H 1 6.863 0.020 . 2 . . . A 90 GLN HE22 . 25577 1 1155 . 1 1 104 104 GLN C C 13 176.156 0.400 . 1 . . . A 90 GLN C . 25577 1 1156 . 1 1 104 104 GLN CA C 13 56.220 0.400 . 1 . . . A 90 GLN CA . 25577 1 1157 . 1 1 104 104 GLN CB C 13 29.587 0.400 . 1 . . . A 90 GLN CB . 25577 1 1158 . 1 1 104 104 GLN CG C 13 33.744 0.400 . 1 . . . A 90 GLN CG . 25577 1 1159 . 1 1 104 104 GLN N N 15 123.131 0.400 . 1 . . . A 90 GLN N . 25577 1 1160 . 1 1 104 104 GLN NE2 N 15 112.791 0.400 . 1 . . . A 90 GLN NE2 . 25577 1 1161 . 1 1 105 105 THR H H 1 8.359 0.020 . 1 . . . A 91 THR H . 25577 1 1162 . 1 1 105 105 THR HA H 1 4.355 0.020 . 1 . . . A 91 THR HA . 25577 1 1163 . 1 1 105 105 THR HB H 1 4.228 0.020 . 1 . . . A 91 THR HB . 25577 1 1164 . 1 1 105 105 THR HG21 H 1 1.183 0.020 . 1 . . . A 91 THR HG21 . 25577 1 1165 . 1 1 105 105 THR HG22 H 1 1.183 0.020 . 1 . . . A 91 THR HG22 . 25577 1 1166 . 1 1 105 105 THR HG23 H 1 1.183 0.020 . 1 . . . A 91 THR HG23 . 25577 1 1167 . 1 1 105 105 THR C C 13 174.980 0.400 . 1 . . . A 91 THR C . 25577 1 1168 . 1 1 105 105 THR CA C 13 62.013 0.400 . 1 . . . A 91 THR CA . 25577 1 1169 . 1 1 105 105 THR CB C 13 69.846 0.400 . 1 . . . A 91 THR CB . 25577 1 1170 . 1 1 105 105 THR CG2 C 13 21.499 0.400 . 1 . . . A 91 THR CG2 . 25577 1 1171 . 1 1 105 105 THR N N 15 115.767 0.400 . 1 . . . A 91 THR N . 25577 1 1172 . 1 1 106 106 GLY H H 1 8.527 0.020 . 1 . . . A 92 GLY H . 25577 1 1173 . 1 1 106 106 GLY HA2 H 1 3.985 0.020 . 2 . . . A 92 GLY HA2 . 25577 1 1174 . 1 1 106 106 GLY HA3 H 1 3.985 0.020 . 2 . . . A 92 GLY HA3 . 25577 1 1175 . 1 1 106 106 GLY C C 13 173.616 0.400 . 1 . . . A 92 GLY C . 25577 1 1176 . 1 1 106 106 GLY CA C 13 45.293 0.400 . 1 . . . A 92 GLY CA . 25577 1 1177 . 1 1 106 106 GLY N N 15 111.903 0.400 . 1 . . . A 92 GLY N . 25577 1 1178 . 1 1 107 107 GLY H H 1 8.035 0.020 . 1 . . . A 93 GLY H . 25577 1 1179 . 1 1 107 107 GLY HA2 H 1 3.727 0.020 . 2 . . . A 93 GLY HA2 . 25577 1 1180 . 1 1 107 107 GLY HA3 H 1 3.727 0.020 . 2 . . . A 93 GLY HA3 . 25577 1 1181 . 1 1 107 107 GLY C C 13 179.138 0.400 . 1 . . . A 93 GLY C . 25577 1 1182 . 1 1 107 107 GLY CA C 13 45.971 0.400 . 1 . . . A 93 GLY CA . 25577 1 1183 . 1 1 107 107 GLY N N 15 115.292 0.400 . 1 . . . A 93 GLY N . 25577 1 stop_ save_