data_5868 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5868 _Entry.Title ; Solution structure of XPC binding domain of hHR23B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-14 _Entry.Accession_date 2003-07-14 _Entry.Last_release_date 2005-05-19 _Entry.Original_release_date 2005-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Kim . K. . 5868 2 K.-S. Ryu . . . 5868 3 H. Kim . J. . 5868 4 B.-S. Choi . . . 5868 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5868 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 5868 '15N chemical shifts' 82 5868 '1H chemical shifts' 461 5868 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 . . 2005-05-19 2003-07-14 original author . 5868 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1PVE 'BMRB Entry Tracking System' 5868 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5868 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15885096 _Citation.Full_citation . _Citation.Title 'Solution structure and backbone dynamics of the XPC-binding domain of the human DNA repair protein hHR23B.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 272 _Citation.Journal_issue 10 _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 2467 _Citation.Page_last 2476 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Kim . K. . 5868 1 2 K.-S. Ryu . . . 5868 1 3 H. Kim . J. . 5868 1 4 S. Cho . J. . 5868 1 5 B.-S. Choi . . . 5868 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CHAPS 5868 1 hHR23B 5868 1 'NMR solution structure' 5868 1 'Nucleotide excision repair' 5868 1 'XPC binding domain' 5868 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RAD23 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RAD23 _Assembly.Entry_ID 5868 _Assembly.ID 1 _Assembly.Name 'UV excision repair protein RAD23 homolog B' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5868 1 stop_ 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 'RAD23 homolog B' 1 $RAD23 . . . native . . . . . 5868 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1PVE . hHR23B(275-342) . . . 'XPC binding domain of hHR23B residues from 275 to 342.' 5868 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RAD23 homolog B' abbreviation 5868 1 'UV excision repair protein RAD23 homolog B' system 5868 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RAD23 _Entity.Sf_category entity _Entity.Sf_framecode RAD23 _Entity.Entry_ID 5868 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RAD23 homolog B' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMPLEFLRNQPQFQQMRQ IIQQNPSLLPALLQQIGREN PQLLQQISQHQEHFIQMLNE PVQEAGGQGGGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1PVE . "Solution Structure Of Xpc Binding Domain Of Hhr23b" . . . . . 100.00 72 100.00 100.00 2.05e-39 . . . . 5868 1 2 no PDB 2F4M . "The Mouse Pngase-Hr23 Complex Reveals A Complete Remodulation Of The Protein-Protein Interface Compared To Its Yeast Orthologs" . . . . . 80.56 61 100.00 100.00 9.26e-29 . . . . 5868 1 3 no PDB 2F4O . "The Mouse Pngase-Hr23 Complex Reveals A Complete Remodulation Of The Protein-Protein Interface Compared To Its Yeast Orthologs" . . . . . 80.56 61 100.00 100.00 9.26e-29 . . . . 5868 1 4 no DBJ BAA04652 . "XP-C repair complementing protein (p58/HHR23B) [Homo sapiens]" . . . . . 100.00 409 97.22 97.22 2.98e-37 . . . . 5868 1 5 no DBJ BAD97199 . "UV excision repair protein RAD23 homolog B variant [Homo sapiens]" . . . . . 100.00 409 97.22 97.22 4.10e-37 . . . . 5868 1 6 no DBJ BAE89144 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 217 97.22 97.22 8.05e-37 . . . . 5868 1 7 no DBJ BAE89405 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 409 97.22 97.22 3.05e-37 . . . . 5868 1 8 no DBJ BAG54170 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 409 97.22 97.22 2.98e-37 . . . . 5868 1 9 no EMBL CAA63146 . "MHR23B [Mus musculus]" . . . . . 100.00 416 97.22 97.22 1.17e-36 . . . . 5868 1 10 no GB AAH20973 . "RAD23B protein [Homo sapiens]" . . . . . 100.00 409 97.22 97.22 3.11e-37 . . . . 5868 1 11 no GB AAH27747 . "RAD23b homolog (S. cerevisiae) [Mus musculus]" . . . . . 100.00 416 97.22 97.22 1.17e-36 . . . . 5868 1 12 no GB AAH70960 . "Rad23b protein [Rattus norvegicus]" . . . . . 100.00 252 97.22 97.22 1.65e-36 . . . . 5868 1 13 no GB AAH90351 . "Rad23b protein [Rattus norvegicus]" . . . . . 100.00 333 97.22 97.22 7.70e-37 . . . . 5868 1 14 no GB AAH98674 . "RAD23 homolog B (S. cerevisiae) [Rattus norvegicus]" . . . . . 100.00 415 97.22 97.22 1.09e-36 . . . . 5868 1 15 no PRF 2206377B . "MHR23B gene" . . . . . 100.00 416 97.22 97.22 1.17e-36 . . . . 5868 1 16 no REF NP_001020446 . "UV excision repair protein RAD23 homolog B [Rattus norvegicus]" . . . . . 100.00 415 97.22 97.22 1.09e-36 . . . . 5868 1 17 no REF NP_001039775 . "UV excision repair protein RAD23 homolog B [Bos taurus]" . . . . . 100.00 408 97.22 97.22 4.88e-37 . . . . 5868 1 18 no REF NP_001231638 . "UV excision repair protein RAD23 homolog B [Pan troglodytes]" . . . . . 100.00 388 97.22 97.22 2.69e-37 . . . . 5868 1 19 no REF NP_001231642 . "UV excision repair protein RAD23 homolog B isoform 2 [Homo sapiens]" . . . . . 100.00 388 97.22 97.22 2.43e-37 . . . . 5868 1 20 no REF NP_001231653 . "UV excision repair protein RAD23 homolog B isoform 3 [Homo sapiens]" . . . . . 100.00 337 97.22 97.22 1.20e-37 . . . . 5868 1 21 no SP P54727 . "RecName: Full=UV excision repair protein RAD23 homolog B; Short=HR23B; Short=hHR23B; AltName: Full=XP-C repair-complementing co" . . . . . 100.00 409 97.22 97.22 2.98e-37 . . . . 5868 1 22 no SP Q29RK4 . "RecName: Full=UV excision repair protein RAD23 homolog B [Bos taurus]" . . . . . 100.00 408 97.22 97.22 4.88e-37 . . . . 5868 1 23 no SP Q4KMA2 . "RecName: Full=UV excision repair protein RAD23 homolog B [Rattus norvegicus]" . . . . . 100.00 415 97.22 97.22 1.09e-36 . . . . 5868 1 24 no TPG DAA26518 . "TPA: UV excision repair protein RAD23 homolog B [Bos taurus]" . . . . . 100.00 408 97.22 97.22 4.88e-37 . . . . 5868 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RAD23 homolog B' abbreviation 5868 1 'RAD23 homolog B' common 5868 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 . GLY . 5868 1 2 . SER . 5868 1 3 . HIS . 5868 1 4 . MET . 5868 1 5 . PRO . 5868 1 6 . LEU . 5868 1 7 . GLU . 5868 1 8 . PHE . 5868 1 9 . LEU . 5868 1 10 . ARG . 5868 1 11 . ASN . 5868 1 12 . GLN . 5868 1 13 . PRO . 5868 1 14 . GLN . 5868 1 15 . PHE . 5868 1 16 . GLN . 5868 1 17 . GLN . 5868 1 18 . MET . 5868 1 19 . ARG . 5868 1 20 . GLN . 5868 1 21 . ILE . 5868 1 22 . ILE . 5868 1 23 . GLN . 5868 1 24 . GLN . 5868 1 25 . ASN . 5868 1 26 . PRO . 5868 1 27 . SER . 5868 1 28 . LEU . 5868 1 29 . LEU . 5868 1 30 . PRO . 5868 1 31 . ALA . 5868 1 32 . LEU . 5868 1 33 . LEU . 5868 1 34 . GLN . 5868 1 35 . GLN . 5868 1 36 . ILE . 5868 1 37 . GLY . 5868 1 38 . ARG . 5868 1 39 . GLU . 5868 1 40 . ASN . 5868 1 41 . PRO . 5868 1 42 . GLN . 5868 1 43 . LEU . 5868 1 44 . LEU . 5868 1 45 . GLN . 5868 1 46 . GLN . 5868 1 47 . ILE . 5868 1 48 . SER . 5868 1 49 . GLN . 5868 1 50 . HIS . 5868 1 51 . GLN . 5868 1 52 . GLU . 5868 1 53 . HIS . 5868 1 54 . PHE . 5868 1 55 . ILE . 5868 1 56 . GLN . 5868 1 57 . MET . 5868 1 58 . LEU . 5868 1 59 . ASN . 5868 1 60 . GLU . 5868 1 61 . PRO . 5868 1 62 . VAL . 5868 1 63 . GLN . 5868 1 64 . GLU . 5868 1 65 . ALA . 5868 1 66 . GLY . 5868 1 67 . GLY . 5868 1 68 . GLN . 5868 1 69 . GLY . 5868 1 70 . GLY . 5868 1 71 . GLY . 5868 1 72 . GLY . 5868 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5868 1 . SER 2 2 5868 1 . HIS 3 3 5868 1 . MET 4 4 5868 1 . PRO 5 5 5868 1 . LEU 6 6 5868 1 . GLU 7 7 5868 1 . PHE 8 8 5868 1 . LEU 9 9 5868 1 . ARG 10 10 5868 1 . ASN 11 11 5868 1 . GLN 12 12 5868 1 . PRO 13 13 5868 1 . GLN 14 14 5868 1 . PHE 15 15 5868 1 . GLN 16 16 5868 1 . GLN 17 17 5868 1 . MET 18 18 5868 1 . ARG 19 19 5868 1 . GLN 20 20 5868 1 . ILE 21 21 5868 1 . ILE 22 22 5868 1 . GLN 23 23 5868 1 . GLN 24 24 5868 1 . ASN 25 25 5868 1 . PRO 26 26 5868 1 . SER 27 27 5868 1 . LEU 28 28 5868 1 . LEU 29 29 5868 1 . PRO 30 30 5868 1 . ALA 31 31 5868 1 . LEU 32 32 5868 1 . LEU 33 33 5868 1 . GLN 34 34 5868 1 . GLN 35 35 5868 1 . ILE 36 36 5868 1 . GLY 37 37 5868 1 . ARG 38 38 5868 1 . GLU 39 39 5868 1 . ASN 40 40 5868 1 . PRO 41 41 5868 1 . GLN 42 42 5868 1 . LEU 43 43 5868 1 . LEU 44 44 5868 1 . GLN 45 45 5868 1 . GLN 46 46 5868 1 . ILE 47 47 5868 1 . SER 48 48 5868 1 . GLN 49 49 5868 1 . HIS 50 50 5868 1 . GLN 51 51 5868 1 . GLU 52 52 5868 1 . HIS 53 53 5868 1 . PHE 54 54 5868 1 . ILE 55 55 5868 1 . GLN 56 56 5868 1 . MET 57 57 5868 1 . LEU 58 58 5868 1 . ASN 59 59 5868 1 . GLU 60 60 5868 1 . PRO 61 61 5868 1 . VAL 62 62 5868 1 . GLN 63 63 5868 1 . GLU 64 64 5868 1 . ALA 65 65 5868 1 . GLY 66 66 5868 1 . GLY 67 67 5868 1 . GLN 68 68 5868 1 . GLY 69 69 5868 1 . GLY 70 70 5868 1 . GLY 71 71 5868 1 . GLY 72 72 5868 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 5868 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RAD23 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5868 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 5868 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RAD23 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)PLYSS . . . . . . . . . . . . . . . PET15B . . . . . . 5868 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5868 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RAD23 homolog B' '[U-15N; U-13C]' . . 1 $RAD23 . . 1 . . mM . . . . 5868 1 2 'phosphate buffer NA' . . . . . . . 40 . . mM . . . . 5868 1 3 'CHAPS NA' . . . . . . . 10 . . mM . . . . 5868 1 4 H2O . . . . . . . 90 . . % . . . . 5868 1 5 D2O . . . . . . . 10 . . % . . . . 5868 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5868 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 210 . mM 5868 1 pH 7.0 . n/a 5868 1 pressure 1 . atm 5868 1 temperature 300 . K 5868 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5868 _Software.ID 1 _Software.Name VNMR _Software.Version 6.3c _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5868 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5868 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5868 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5868 _Software.ID 3 _Software.Name CYANA _Software.Version 1.6 _Software.Details 'Peter Guentert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5868 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 5868 _Software.ID 4 _Software.Name AMBER _Software.Version 7 _Software.Details 'David A. Case etc' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5868 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5868 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5868 _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 NMR_spectrometer Varian INOVA . 600 . . . 5868 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 5868 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5868 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5868 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5868 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5868 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5868 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5868 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5868 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . . 0.251449530 . . . . . . . . . 5868 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . . 1.0 . . . . . . . . . 5868 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . . 0.101329118 . . . . . . . . . 5868 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5868 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5868 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.026 0.003 . 1 . . . . . . . . 5868 1 2 . 1 1 2 2 SER N N 15 121.566 0.034 . 1 . . . . . . . . 5868 1 3 . 1 1 3 3 HIS CA C 13 56.081 0.002 . 1 . . . . . . . . 5868 1 4 . 1 1 3 3 HIS CB C 13 30.624 0.001 . 1 . . . . . . . . 5868 1 5 . 1 1 3 3 HIS HA H 1 4.636 0.000 . 1 . . . . . . . . 5868 1 6 . 1 1 3 3 HIS HB2 H 1 3.092 0.002 . 1 . . . . . . . . 5868 1 7 . 1 1 3 3 HIS HB3 H 1 3.026 0.006 . 1 . . . . . . . . 5868 1 8 . 1 1 3 3 HIS H H 1 8.601 0.000 . 1 . . . . . . . . 5868 1 9 . 1 1 3 3 HIS N N 15 125.058 0.000 . 1 . . . . . . . . 5868 1 10 . 1 1 4 4 MET CA C 13 53.551 0.013 . 1 . . . . . . . . 5868 1 11 . 1 1 4 4 MET CB C 13 32.115 0.016 . 1 . . . . . . . . 5868 1 12 . 1 1 4 4 MET CG C 13 32.134 0.011 . 1 . . . . . . . . 5868 1 13 . 1 1 4 4 MET HA H 1 4.567 0.002 . 1 . . . . . . . . 5868 1 14 . 1 1 4 4 MET HB2 H 1 1.961 0.002 . 1 . . . . . . . . 5868 1 15 . 1 1 4 4 MET HB3 H 1 1.879 0.004 . 1 . . . . . . . . 5868 1 16 . 1 1 4 4 MET HG2 H 1 2.458 0.005 . 1 . . . . . . . . 5868 1 17 . 1 1 4 4 MET HG3 H 1 2.348 0.003 . 1 . . . . . . . . 5868 1 18 . 1 1 4 4 MET H H 1 8.383 0.003 . 1 . . . . . . . . 5868 1 19 . 1 1 4 4 MET N N 15 123.375 0.010 . 1 . . . . . . . . 5868 1 20 . 1 1 5 5 PRO CA C 13 64.300 0.029 . 1 . . . . . . . . 5868 1 21 . 1 1 5 5 PRO CB C 13 31.892 0.012 . 1 . . . . . . . . 5868 1 22 . 1 1 5 5 PRO CD C 13 50.372 0.027 . 1 . . . . . . . . 5868 1 23 . 1 1 5 5 PRO CG C 13 27.366 0.017 . 1 . . . . . . . . 5868 1 24 . 1 1 5 5 PRO HA H 1 4.229 0.002 . 1 . . . . . . . . 5868 1 25 . 1 1 5 5 PRO HB2 H 1 1.928 0.004 . 1 . . . . . . . . 5868 1 26 . 1 1 5 5 PRO HB3 H 1 1.353 0.006 . 1 . . . . . . . . 5868 1 27 . 1 1 5 5 PRO HD2 H 1 3.488 0.003 . 1 . . . . . . . . 5868 1 28 . 1 1 5 5 PRO HD3 H 1 3.075 0.002 . 1 . . . . . . . . 5868 1 29 . 1 1 5 5 PRO HG2 H 1 1.673 0.004 . 1 . . . . . . . . 5868 1 30 . 1 1 5 5 PRO HG3 H 1 1.493 0.005 . 1 . . . . . . . . 5868 1 31 . 1 1 6 6 LEU CA C 13 54.795 0.017 . 1 . . . . . . . . 5868 1 32 . 1 1 6 6 LEU CB C 13 41.065 0.001 . 1 . . . . . . . . 5868 1 33 . 1 1 6 6 LEU CD1 C 13 26.917 0.017 . 1 . . . . . . . . 5868 1 34 . 1 1 6 6 LEU CD2 C 13 23.245 0.019 . 1 . . . . . . . . 5868 1 35 . 1 1 6 6 LEU CG C 13 26.935 0.004 . 1 . . . . . . . . 5868 1 36 . 1 1 6 6 LEU C C 13 177.129 0.000 . 1 . . . . . . . . 5868 1 37 . 1 1 6 6 LEU HA H 1 4.122 0.003 . 1 . . . . . . . . 5868 1 38 . 1 1 6 6 LEU HB2 H 1 1.716 0.003 . 1 . . . . . . . . 5868 1 39 . 1 1 6 6 LEU HB3 H 1 1.472 0.003 . 1 . . . . . . . . 5868 1 40 . 1 1 6 6 LEU HG H 1 1.484 0.005 . 1 . . . . . . . . 5868 1 41 . 1 1 6 6 LEU H H 1 8.412 0.001 . 1 . . . . . . . . 5868 1 42 . 1 1 6 6 LEU N N 15 115.804 0.025 . 1 . . . . . . . . 5868 1 43 . 1 1 6 6 LEU HD11 H 1 0.996 0.004 . 1 . . . . . . . . 5868 1 44 . 1 1 6 6 LEU HD12 H 1 0.996 0.004 . 1 . . . . . . . . 5868 1 45 . 1 1 6 6 LEU HD13 H 1 0.996 0.004 . 1 . . . . . . . . 5868 1 46 . 1 1 6 6 LEU HD21 H 1 0.790 0.002 . 1 . . . . . . . . 5868 1 47 . 1 1 6 6 LEU HD22 H 1 0.790 0.002 . 1 . . . . . . . . 5868 1 48 . 1 1 6 6 LEU HD23 H 1 0.790 0.002 . 1 . . . . . . . . 5868 1 49 . 1 1 7 7 GLU CA C 13 59.341 0.015 . 1 . . . . . . . . 5868 1 50 . 1 1 7 7 GLU CB C 13 29.339 0.023 . 1 . . . . . . . . 5868 1 51 . 1 1 7 7 GLU CG C 13 35.933 0.022 . 1 . . . . . . . . 5868 1 52 . 1 1 7 7 GLU C C 13 177.984 0.000 . 1 . . . . . . . . 5868 1 53 . 1 1 7 7 GLU HA H 1 3.820 0.002 . 1 . . . . . . . . 5868 1 54 . 1 1 7 7 GLU HB2 H 1 2.110 0.002 . 1 . . . . . . . . 5868 1 55 . 1 1 7 7 GLU HB3 H 1 1.996 0.004 . 1 . . . . . . . . 5868 1 56 . 1 1 7 7 GLU H H 1 7.755 0.003 . 1 . . . . . . . . 5868 1 57 . 1 1 7 7 GLU N N 15 120.090 0.038 . 1 . . . . . . . . 5868 1 58 . 1 1 7 7 GLU HG2 H 1 2.282 0.002 . 1 . . . . . . . . 5868 1 59 . 1 1 8 8 PHE CA C 13 58.981 0.026 . 1 . . . . . . . . 5868 1 60 . 1 1 8 8 PHE CB C 13 37.799 0.012 . 1 . . . . . . . . 5868 1 61 . 1 1 8 8 PHE C C 13 176.692 0.000 . 1 . . . . . . . . 5868 1 62 . 1 1 8 8 PHE HA H 1 4.394 0.002 . 1 . . . . . . . . 5868 1 63 . 1 1 8 8 PHE HB2 H 1 3.195 0.001 . 1 . . . . . . . . 5868 1 64 . 1 1 8 8 PHE HB3 H 1 3.093 0.002 . 1 . . . . . . . . 5868 1 65 . 1 1 8 8 PHE H H 1 7.865 0.003 . 1 . . . . . . . . 5868 1 66 . 1 1 8 8 PHE N N 15 115.566 0.033 . 1 . . . . . . . . 5868 1 67 . 1 1 9 9 LEU CA C 13 56.559 0.012 . 1 . . . . . . . . 5868 1 68 . 1 1 9 9 LEU CD1 C 13 25.264 0.023 . 1 . . . . . . . . 5868 1 69 . 1 1 9 9 LEU CD2 C 13 24.059 0.033 . 1 . . . . . . . . 5868 1 70 . 1 1 9 9 LEU C C 13 177.669 0.000 . 1 . . . . . . . . 5868 1 71 . 1 1 9 9 LEU HA H 1 3.643 0.003 . 1 . . . . . . . . 5868 1 72 . 1 1 9 9 LEU HB2 H 1 1.084 0.005 . 1 . . . . . . . . 5868 1 73 . 1 1 9 9 LEU HB3 H 1 0.809 0.003 . 1 . . . . . . . . 5868 1 74 . 1 1 9 9 LEU HG H 1 0.894 0.001 . 1 . . . . . . . . 5868 1 75 . 1 1 9 9 LEU H H 1 7.123 0.003 . 1 . . . . . . . . 5868 1 76 . 1 1 9 9 LEU N N 15 120.815 0.012 . 1 . . . . . . . . 5868 1 77 . 1 1 9 9 LEU HD11 H 1 0.710 0.003 . 1 . . . . . . . . 5868 1 78 . 1 1 9 9 LEU HD12 H 1 0.710 0.003 . 1 . . . . . . . . 5868 1 79 . 1 1 9 9 LEU HD13 H 1 0.710 0.003 . 1 . . . . . . . . 5868 1 80 . 1 1 9 9 LEU HD21 H 1 0.626 0.002 . 1 . . . . . . . . 5868 1 81 . 1 1 9 9 LEU HD22 H 1 0.626 0.002 . 1 . . . . . . . . 5868 1 82 . 1 1 9 9 LEU HD23 H 1 0.626 0.002 . 1 . . . . . . . . 5868 1 83 . 1 1 10 10 ARG CA C 13 59.044 0.006 . 1 . . . . . . . . 5868 1 84 . 1 1 10 10 ARG CB C 13 30.498 0.011 . 1 . . . . . . . . 5868 1 85 . 1 1 10 10 ARG CD C 13 43.257 0.012 . 1 . . . . . . . . 5868 1 86 . 1 1 10 10 ARG CG C 13 27.924 0.043 . 1 . . . . . . . . 5868 1 87 . 1 1 10 10 ARG C C 13 176.681 0.000 . 1 . . . . . . . . 5868 1 88 . 1 1 10 10 ARG HA H 1 3.482 0.003 . 1 . . . . . . . . 5868 1 89 . 1 1 10 10 ARG HD2 H 1 3.220 0.002 . 1 . . . . . . . . 5868 1 90 . 1 1 10 10 ARG HD3 H 1 3.114 0.001 . 1 . . . . . . . . 5868 1 91 . 1 1 10 10 ARG HE H 1 7.985 0.000 . 1 . . . . . . . . 5868 1 92 . 1 1 10 10 ARG H H 1 7.252 0.002 . 1 . . . . . . . . 5868 1 93 . 1 1 10 10 ARG N N 15 114.712 0.038 . 1 . . . . . . . . 5868 1 94 . 1 1 10 10 ARG NE N 15 109.629 0.000 . 1 . . . . . . . . 5868 1 95 . 1 1 10 10 ARG HB2 H 1 1.687 0.002 . 1 . . . . . . . . 5868 1 96 . 1 1 10 10 ARG HG2 H 1 1.487 0.004 . 1 . . . . . . . . 5868 1 97 . 1 1 11 11 ASN CA C 13 52.602 0.016 . 1 . . . . . . . . 5868 1 98 . 1 1 11 11 ASN CB C 13 39.084 0.004 . 1 . . . . . . . . 5868 1 99 . 1 1 11 11 ASN C C 13 175.228 0.000 . 1 . . . . . . . . 5868 1 100 . 1 1 11 11 ASN HA H 1 4.851 0.006 . 1 . . . . . . . . 5868 1 101 . 1 1 11 11 ASN HB2 H 1 2.990 0.004 . 1 . . . . . . . . 5868 1 102 . 1 1 11 11 ASN HB3 H 1 2.706 0.003 . 1 . . . . . . . . 5868 1 103 . 1 1 11 11 ASN HD21 H 1 7.544 0.002 . 1 . . . . . . . . 5868 1 104 . 1 1 11 11 ASN HD22 H 1 6.931 0.003 . 1 . . . . . . . . 5868 1 105 . 1 1 11 11 ASN H H 1 7.619 0.002 . 1 . . . . . . . . 5868 1 106 . 1 1 11 11 ASN N N 15 113.025 0.018 . 1 . . . . . . . . 5868 1 107 . 1 1 11 11 ASN ND2 N 15 112.787 0.033 . 1 . . . . . . . . 5868 1 108 . 1 1 12 12 GLN CG C 13 33.796 0.017 . 1 . . . . . . . . 5868 1 109 . 1 1 12 12 GLN HA H 1 4.737 0.000 . 1 . . . . . . . . 5868 1 110 . 1 1 12 12 GLN HE21 H 1 7.447 0.000 . 1 . . . . . . . . 5868 1 111 . 1 1 12 12 GLN HE22 H 1 6.927 0.000 . 1 . . . . . . . . 5868 1 112 . 1 1 12 12 GLN HG2 H 1 2.639 0.003 . 1 . . . . . . . . 5868 1 113 . 1 1 12 12 GLN HG3 H 1 2.467 0.006 . 1 . . . . . . . . 5868 1 114 . 1 1 12 12 GLN H H 1 7.793 0.003 . 1 . . . . . . . . 5868 1 115 . 1 1 12 12 GLN N N 15 121.316 0.027 . 1 . . . . . . . . 5868 1 116 . 1 1 12 12 GLN NE2 N 15 112.278 0.035 . 1 . . . . . . . . 5868 1 117 . 1 1 12 12 GLN HB2 H 1 2.208 0.000 . 1 . . . . . . . . 5868 1 118 . 1 1 13 13 PRO CA C 13 65.667 0.012 . 1 . . . . . . . . 5868 1 119 . 1 1 13 13 PRO CB C 13 31.981 0.062 . 1 . . . . . . . . 5868 1 120 . 1 1 13 13 PRO CD C 13 51.099 0.022 . 1 . . . . . . . . 5868 1 121 . 1 1 13 13 PRO CG C 13 27.748 0.043 . 1 . . . . . . . . 5868 1 122 . 1 1 13 13 PRO C C 13 179.087 0.000 . 1 . . . . . . . . 5868 1 123 . 1 1 13 13 PRO HA H 1 4.385 0.002 . 1 . . . . . . . . 5868 1 124 . 1 1 13 13 PRO HB2 H 1 2.447 0.002 . 1 . . . . . . . . 5868 1 125 . 1 1 13 13 PRO HB3 H 1 2.019 0.002 . 1 . . . . . . . . 5868 1 126 . 1 1 13 13 PRO HD2 H 1 4.077 0.002 . 1 . . . . . . . . 5868 1 127 . 1 1 13 13 PRO HD3 H 1 3.957 0.002 . 1 . . . . . . . . 5868 1 128 . 1 1 13 13 PRO HG2 H 1 2.214 0.004 . 1 . . . . . . . . 5868 1 129 . 1 1 13 13 PRO HG3 H 1 2.131 0.003 . 1 . . . . . . . . 5868 1 130 . 1 1 14 14 GLN CA C 13 58.855 0.013 . 1 . . . . . . . . 5868 1 131 . 1 1 14 14 GLN CB C 13 28.101 0.020 . 1 . . . . . . . . 5868 1 132 . 1 1 14 14 GLN CG C 13 34.572 0.045 . 1 . . . . . . . . 5868 1 133 . 1 1 14 14 GLN C C 13 178.234 0.000 . 1 . . . . . . . . 5868 1 134 . 1 1 14 14 GLN HA H 1 4.322 0.003 . 1 . . . . . . . . 5868 1 135 . 1 1 14 14 GLN H H 1 8.954 0.002 . 1 . . . . . . . . 5868 1 136 . 1 1 14 14 GLN N N 15 115.424 0.031 . 1 . . . . . . . . 5868 1 137 . 1 1 14 14 GLN HB2 H 1 2.144 0.006 . 1 . . . . . . . . 5868 1 138 . 1 1 14 14 GLN HG2 H 1 2.514 0.005 . 1 . . . . . . . . 5868 1 139 . 1 1 15 15 PHE CA C 13 61.245 0.009 . 1 . . . . . . . . 5868 1 140 . 1 1 15 15 PHE CB C 13 39.751 0.019 . 1 . . . . . . . . 5868 1 141 . 1 1 15 15 PHE C C 13 177.085 0.000 . 1 . . . . . . . . 5868 1 142 . 1 1 15 15 PHE HA H 1 4.346 0.002 . 1 . . . . . . . . 5868 1 143 . 1 1 15 15 PHE HB2 H 1 3.373 0.003 . 1 . . . . . . . . 5868 1 144 . 1 1 15 15 PHE HB3 H 1 3.206 0.001 . 1 . . . . . . . . 5868 1 145 . 1 1 15 15 PHE H H 1 7.899 0.002 . 1 . . . . . . . . 5868 1 146 . 1 1 15 15 PHE N N 15 120.048 0.036 . 1 . . . . . . . . 5868 1 147 . 1 1 16 16 GLN CA C 13 58.895 0.006 . 1 . . . . . . . . 5868 1 148 . 1 1 16 16 GLN CB C 13 27.371 0.007 . 1 . . . . . . . . 5868 1 149 . 1 1 16 16 GLN CG C 13 33.516 0.003 . 1 . . . . . . . . 5868 1 150 . 1 1 16 16 GLN C C 13 178.692 0.000 . 1 . . . . . . . . 5868 1 151 . 1 1 16 16 GLN HA H 1 3.833 0.003 . 1 . . . . . . . . 5868 1 152 . 1 1 16 16 GLN H H 1 8.031 0.004 . 1 . . . . . . . . 5868 1 153 . 1 1 16 16 GLN N N 15 117.807 0.024 . 1 . . . . . . . . 5868 1 154 . 1 1 16 16 GLN HB2 H 1 2.197 0.006 . 1 . . . . . . . . 5868 1 155 . 1 1 16 16 GLN HG2 H 1 2.526 0.004 . 1 . . . . . . . . 5868 1 156 . 1 1 17 17 GLN CA C 13 58.875 0.040 . 1 . . . . . . . . 5868 1 157 . 1 1 17 17 GLN CB C 13 28.452 0.049 . 1 . . . . . . . . 5868 1 158 . 1 1 17 17 GLN CG C 13 34.194 0.018 . 1 . . . . . . . . 5868 1 159 . 1 1 17 17 GLN C C 13 178.092 0.000 . 1 . . . . . . . . 5868 1 160 . 1 1 17 17 GLN HA H 1 4.095 0.005 . 1 . . . . . . . . 5868 1 161 . 1 1 17 17 GLN HB2 H 1 2.196 0.004 . 1 . . . . . . . . 5868 1 162 . 1 1 17 17 GLN HB3 H 1 2.064 0.002 . 1 . . . . . . . . 5868 1 163 . 1 1 17 17 GLN HE21 H 1 7.393 0.001 . 1 . . . . . . . . 5868 1 164 . 1 1 17 17 GLN HE22 H 1 6.775 0.003 . 1 . . . . . . . . 5868 1 165 . 1 1 17 17 GLN HG2 H 1 2.476 0.006 . 1 . . . . . . . . 5868 1 166 . 1 1 17 17 GLN HG3 H 1 2.353 0.003 . 1 . . . . . . . . 5868 1 167 . 1 1 17 17 GLN H H 1 7.737 0.002 . 1 . . . . . . . . 5868 1 168 . 1 1 17 17 GLN N N 15 117.841 0.023 . 1 . . . . . . . . 5868 1 169 . 1 1 17 17 GLN NE2 N 15 110.485 0.020 . 1 . . . . . . . . 5868 1 170 . 1 1 18 18 MET CA C 13 59.608 0.005 . 1 . . . . . . . . 5868 1 171 . 1 1 18 18 MET CB C 13 32.750 0.017 . 1 . . . . . . . . 5868 1 172 . 1 1 18 18 MET CG C 13 32.763 0.014 . 1 . . . . . . . . 5868 1 173 . 1 1 18 18 MET C C 13 176.953 0.000 . 1 . . . . . . . . 5868 1 174 . 1 1 18 18 MET HA H 1 3.805 0.004 . 1 . . . . . . . . 5868 1 175 . 1 1 18 18 MET HB2 H 1 2.619 0.002 . 1 . . . . . . . . 5868 1 176 . 1 1 18 18 MET HB3 H 1 2.356 0.003 . 1 . . . . . . . . 5868 1 177 . 1 1 18 18 MET HG2 H 1 2.116 0.006 . 1 . . . . . . . . 5868 1 178 . 1 1 18 18 MET HG3 H 1 2.009 0.006 . 1 . . . . . . . . 5868 1 179 . 1 1 18 18 MET H H 1 7.761 0.003 . 1 . . . . . . . . 5868 1 180 . 1 1 18 18 MET N N 15 118.413 0.020 . 1 . . . . . . . . 5868 1 181 . 1 1 19 19 ARG CA C 13 59.851 0.024 . 1 . . . . . . . . 5868 1 182 . 1 1 19 19 ARG CB C 13 29.907 0.020 . 1 . . . . . . . . 5868 1 183 . 1 1 19 19 ARG CD C 13 43.939 0.027 . 1 . . . . . . . . 5868 1 184 . 1 1 19 19 ARG C C 13 177.540 0.000 . 1 . . . . . . . . 5868 1 185 . 1 1 19 19 ARG HA H 1 3.642 0.002 . 1 . . . . . . . . 5868 1 186 . 1 1 19 19 ARG HD2 H 1 3.119 0.003 . 1 . . . . . . . . 5868 1 187 . 1 1 19 19 ARG HD3 H 1 2.928 0.001 . 1 . . . . . . . . 5868 1 188 . 1 1 19 19 ARG HE H 1 6.985 0.004 . 1 . . . . . . . . 5868 1 189 . 1 1 19 19 ARG HG2 H 1 1.407 0.003 . 1 . . . . . . . . 5868 1 190 . 1 1 19 19 ARG HG3 H 1 1.343 0.006 . 1 . . . . . . . . 5868 1 191 . 1 1 19 19 ARG H H 1 7.954 0.002 . 1 . . . . . . . . 5868 1 192 . 1 1 19 19 ARG N N 15 117.376 0.034 . 1 . . . . . . . . 5868 1 193 . 1 1 19 19 ARG NE N 15 108.139 0.027 . 1 . . . . . . . . 5868 1 194 . 1 1 19 19 ARG HB2 H 1 1.607 0.005 . 1 . . . . . . . . 5868 1 195 . 1 1 20 20 GLN CA C 13 59.227 0.015 . 1 . . . . . . . . 5868 1 196 . 1 1 20 20 GLN CB C 13 28.600 0.055 . 1 . . . . . . . . 5868 1 197 . 1 1 20 20 GLN CG C 13 34.126 0.040 . 1 . . . . . . . . 5868 1 198 . 1 1 20 20 GLN C C 13 178.459 0.000 . 1 . . . . . . . . 5868 1 199 . 1 1 20 20 GLN HA H 1 3.910 0.002 . 1 . . . . . . . . 5868 1 200 . 1 1 20 20 GLN HE21 H 1 7.353 0.001 . 1 . . . . . . . . 5868 1 201 . 1 1 20 20 GLN HE22 H 1 6.788 0.005 . 1 . . . . . . . . 5868 1 202 . 1 1 20 20 GLN HG2 H 1 2.463 0.006 . 1 . . . . . . . . 5868 1 203 . 1 1 20 20 GLN HG3 H 1 2.324 0.007 . 1 . . . . . . . . 5868 1 204 . 1 1 20 20 GLN H H 1 7.628 0.001 . 1 . . . . . . . . 5868 1 205 . 1 1 20 20 GLN N N 15 117.343 0.030 . 1 . . . . . . . . 5868 1 206 . 1 1 20 20 GLN NE2 N 15 111.190 0.048 . 1 . . . . . . . . 5868 1 207 . 1 1 20 20 GLN HB2 H 1 2.131 0.004 . 1 . . . . . . . . 5868 1 208 . 1 1 21 21 ILE CA C 13 64.547 0.007 . 1 . . . . . . . . 5868 1 209 . 1 1 21 21 ILE CB C 13 38.145 0.014 . 1 . . . . . . . . 5868 1 210 . 1 1 21 21 ILE CD1 C 13 13.912 0.010 . 1 . . . . . . . . 5868 1 211 . 1 1 21 21 ILE CG1 C 13 29.347 0.005 . 1 . . . . . . . . 5868 1 212 . 1 1 21 21 ILE CG2 C 13 18.044 0.020 . 1 . . . . . . . . 5868 1 213 . 1 1 21 21 ILE C C 13 178.316 0.000 . 1 . . . . . . . . 5868 1 214 . 1 1 21 21 ILE HA H 1 3.740 0.001 . 1 . . . . . . . . 5868 1 215 . 1 1 21 21 ILE HB H 1 1.889 0.002 . 1 . . . . . . . . 5868 1 216 . 1 1 21 21 ILE HG12 H 1 1.733 0.002 . 1 . . . . . . . . 5868 1 217 . 1 1 21 21 ILE HG13 H 1 1.192 0.002 . 1 . . . . . . . . 5868 1 218 . 1 1 21 21 ILE H H 1 7.855 0.003 . 1 . . . . . . . . 5868 1 219 . 1 1 21 21 ILE N N 15 118.800 0.011 . 1 . . . . . . . . 5868 1 220 . 1 1 21 21 ILE HD11 H 1 0.843 0.004 . 1 . . . . . . . . 5868 1 221 . 1 1 21 21 ILE HD12 H 1 0.843 0.004 . 1 . . . . . . . . 5868 1 222 . 1 1 21 21 ILE HD13 H 1 0.843 0.004 . 1 . . . . . . . . 5868 1 223 . 1 1 21 21 ILE HG21 H 1 0.886 0.005 . 1 . . . . . . . . 5868 1 224 . 1 1 21 21 ILE HG22 H 1 0.886 0.005 . 1 . . . . . . . . 5868 1 225 . 1 1 21 21 ILE HG23 H 1 0.886 0.005 . 1 . . . . . . . . 5868 1 226 . 1 1 22 22 ILE CA C 13 62.012 0.016 . 1 . . . . . . . . 5868 1 227 . 1 1 22 22 ILE CB C 13 36.331 0.052 . 1 . . . . . . . . 5868 1 228 . 1 1 22 22 ILE CD1 C 13 11.949 0.023 . 1 . . . . . . . . 5868 1 229 . 1 1 22 22 ILE CG1 C 13 28.521 0.019 . 1 . . . . . . . . 5868 1 230 . 1 1 22 22 ILE CG2 C 13 18.302 0.026 . 1 . . . . . . . . 5868 1 231 . 1 1 22 22 ILE C C 13 177.076 0.000 . 1 . . . . . . . . 5868 1 232 . 1 1 22 22 ILE HA H 1 3.776 0.002 . 1 . . . . . . . . 5868 1 233 . 1 1 22 22 ILE HB H 1 1.944 0.004 . 1 . . . . . . . . 5868 1 234 . 1 1 22 22 ILE H H 1 7.926 0.003 . 1 . . . . . . . . 5868 1 235 . 1 1 22 22 ILE N N 15 119.048 0.015 . 1 . . . . . . . . 5868 1 236 . 1 1 22 22 ILE HD11 H 1 0.734 0.002 . 1 . . . . . . . . 5868 1 237 . 1 1 22 22 ILE HD12 H 1 0.734 0.002 . 1 . . . . . . . . 5868 1 238 . 1 1 22 22 ILE HD13 H 1 0.734 0.002 . 1 . . . . . . . . 5868 1 239 . 1 1 22 22 ILE HG12 H 1 1.429 0.005 . 1 . . . . . . . . 5868 1 240 . 1 1 22 22 ILE HG21 H 1 0.912 0.004 . 1 . . . . . . . . 5868 1 241 . 1 1 22 22 ILE HG22 H 1 0.912 0.004 . 1 . . . . . . . . 5868 1 242 . 1 1 22 22 ILE HG23 H 1 0.912 0.004 . 1 . . . . . . . . 5868 1 243 . 1 1 23 23 GLN CA C 13 58.736 0.020 . 1 . . . . . . . . 5868 1 244 . 1 1 23 23 GLN CB C 13 28.128 0.028 . 1 . . . . . . . . 5868 1 245 . 1 1 23 23 GLN CG C 13 34.527 0.009 . 1 . . . . . . . . 5868 1 246 . 1 1 23 23 GLN C C 13 178.360 0.000 . 1 . . . . . . . . 5868 1 247 . 1 1 23 23 GLN HA H 1 3.969 0.005 . 1 . . . . . . . . 5868 1 248 . 1 1 23 23 GLN HE21 H 1 7.546 0.002 . 1 . . . . . . . . 5868 1 249 . 1 1 23 23 GLN HE22 H 1 6.574 0.002 . 1 . . . . . . . . 5868 1 250 . 1 1 23 23 GLN HG2 H 1 2.640 0.005 . 1 . . . . . . . . 5868 1 251 . 1 1 23 23 GLN HG3 H 1 2.381 0.004 . 1 . . . . . . . . 5868 1 252 . 1 1 23 23 GLN H H 1 7.988 0.003 . 1 . . . . . . . . 5868 1 253 . 1 1 23 23 GLN N N 15 117.262 0.032 . 1 . . . . . . . . 5868 1 254 . 1 1 23 23 GLN NE2 N 15 110.716 0.032 . 1 . . . . . . . . 5868 1 255 . 1 1 23 23 GLN HB2 H 1 2.073 0.004 . 1 . . . . . . . . 5868 1 256 . 1 1 24 24 GLN CA C 13 57.312 0.011 . 1 . . . . . . . . 5868 1 257 . 1 1 24 24 GLN CB C 13 29.553 0.027 . 1 . . . . . . . . 5868 1 258 . 1 1 24 24 GLN CG C 13 34.159 0.011 . 1 . . . . . . . . 5868 1 259 . 1 1 24 24 GLN C C 13 176.508 0.000 . 1 . . . . . . . . 5868 1 260 . 1 1 24 24 GLN HA H 1 4.230 0.002 . 1 . . . . . . . . 5868 1 261 . 1 1 24 24 GLN HB2 H 1 2.130 0.006 . 1 . . . . . . . . 5868 1 262 . 1 1 24 24 GLN HB3 H 1 2.103 0.008 . 1 . . . . . . . . 5868 1 263 . 1 1 24 24 GLN HG2 H 1 2.540 0.004 . 1 . . . . . . . . 5868 1 264 . 1 1 24 24 GLN HG3 H 1 2.412 0.003 . 1 . . . . . . . . 5868 1 265 . 1 1 24 24 GLN H H 1 7.473 0.001 . 1 . . . . . . . . 5868 1 266 . 1 1 24 24 GLN N N 15 115.098 0.014 . 1 . . . . . . . . 5868 1 267 . 1 1 25 25 ASN CA C 13 50.960 0.026 . 1 . . . . . . . . 5868 1 268 . 1 1 25 25 ASN CB C 13 38.714 0.012 . 1 . . . . . . . . 5868 1 269 . 1 1 25 25 ASN HA H 1 5.045 0.002 . 1 . . . . . . . . 5868 1 270 . 1 1 25 25 ASN HB2 H 1 2.900 0.002 . 1 . . . . . . . . 5868 1 271 . 1 1 25 25 ASN HB3 H 1 2.743 0.002 . 1 . . . . . . . . 5868 1 272 . 1 1 25 25 ASN HD21 H 1 7.670 0.002 . 1 . . . . . . . . 5868 1 273 . 1 1 25 25 ASN HD22 H 1 7.047 0.002 . 1 . . . . . . . . 5868 1 274 . 1 1 25 25 ASN H H 1 8.008 0.003 . 1 . . . . . . . . 5868 1 275 . 1 1 25 25 ASN N N 15 114.544 0.024 . 1 . . . . . . . . 5868 1 276 . 1 1 25 25 ASN ND2 N 15 111.946 0.020 . 1 . . . . . . . . 5868 1 277 . 1 1 26 26 PRO CA C 13 65.158 0.026 . 1 . . . . . . . . 5868 1 278 . 1 1 26 26 PRO CB C 13 31.775 0.013 . 1 . . . . . . . . 5868 1 279 . 1 1 26 26 PRO CD C 13 50.195 0.017 . 1 . . . . . . . . 5868 1 280 . 1 1 26 26 PRO CG C 13 27.201 0.041 . 1 . . . . . . . . 5868 1 281 . 1 1 26 26 PRO C C 13 179.029 0.000 . 1 . . . . . . . . 5868 1 282 . 1 1 26 26 PRO HA H 1 4.458 0.004 . 1 . . . . . . . . 5868 1 283 . 1 1 26 26 PRO HB2 H 1 2.444 0.004 . 1 . . . . . . . . 5868 1 284 . 1 1 26 26 PRO HB3 H 1 2.020 0.003 . 1 . . . . . . . . 5868 1 285 . 1 1 26 26 PRO HD2 H 1 3.834 0.004 . 1 . . . . . . . . 5868 1 286 . 1 1 26 26 PRO HD3 H 1 3.519 0.004 . 1 . . . . . . . . 5868 1 287 . 1 1 26 26 PRO HG2 H 1 2.168 0.006 . 1 . . . . . . . . 5868 1 288 . 1 1 26 26 PRO HG3 H 1 2.083 0.005 . 1 . . . . . . . . 5868 1 289 . 1 1 27 27 SER CA C 13 60.680 0.014 . 1 . . . . . . . . 5868 1 290 . 1 1 27 27 SER CB C 13 62.818 0.000 . 1 . . . . . . . . 5868 1 291 . 1 1 27 27 SER C C 13 175.349 0.000 . 1 . . . . . . . . 5868 1 292 . 1 1 27 27 SER HA H 1 4.321 0.002 . 1 . . . . . . . . 5868 1 293 . 1 1 27 27 SER H H 1 8.053 0.002 . 1 . . . . . . . . 5868 1 294 . 1 1 27 27 SER N N 15 113.293 0.026 . 1 . . . . . . . . 5868 1 295 . 1 1 27 27 SER HB2 H 1 4.020 0.003 . 1 . . . . . . . . 5868 1 296 . 1 1 28 28 LEU CA C 13 55.213 0.017 . 1 . . . . . . . . 5868 1 297 . 1 1 28 28 LEU CB C 13 42.440 0.014 . 1 . . . . . . . . 5868 1 298 . 1 1 28 28 LEU CD1 C 13 26.038 0.026 . 1 . . . . . . . . 5868 1 299 . 1 1 28 28 LEU CD2 C 13 22.409 0.011 . 1 . . . . . . . . 5868 1 300 . 1 1 28 28 LEU CG C 13 26.820 0.036 . 1 . . . . . . . . 5868 1 301 . 1 1 28 28 LEU C C 13 177.275 0.000 . 1 . . . . . . . . 5868 1 302 . 1 1 28 28 LEU HA H 1 4.388 0.003 . 1 . . . . . . . . 5868 1 303 . 1 1 28 28 LEU HB2 H 1 1.804 0.004 . 1 . . . . . . . . 5868 1 304 . 1 1 28 28 LEU HB3 H 1 1.578 0.003 . 1 . . . . . . . . 5868 1 305 . 1 1 28 28 LEU HG H 1 1.683 0.003 . 1 . . . . . . . . 5868 1 306 . 1 1 28 28 LEU H H 1 7.871 0.002 . 1 . . . . . . . . 5868 1 307 . 1 1 28 28 LEU N N 15 120.096 0.028 . 1 . . . . . . . . 5868 1 308 . 1 1 28 28 LEU HD11 H 1 0.939 0.004 . 1 . . . . . . . . 5868 1 309 . 1 1 28 28 LEU HD12 H 1 0.939 0.004 . 1 . . . . . . . . 5868 1 310 . 1 1 28 28 LEU HD13 H 1 0.939 0.004 . 1 . . . . . . . . 5868 1 311 . 1 1 28 28 LEU HD21 H 1 0.829 0.003 . 1 . . . . . . . . 5868 1 312 . 1 1 28 28 LEU HD22 H 1 0.829 0.003 . 1 . . . . . . . . 5868 1 313 . 1 1 28 28 LEU HD23 H 1 0.829 0.003 . 1 . . . . . . . . 5868 1 314 . 1 1 29 29 LEU CA C 13 60.355 0.016 . 1 . . . . . . . . 5868 1 315 . 1 1 29 29 LEU CB C 13 39.368 0.010 . 1 . . . . . . . . 5868 1 316 . 1 1 29 29 LEU CD1 C 13 23.992 0.028 . 1 . . . . . . . . 5868 1 317 . 1 1 29 29 LEU CD2 C 13 25.889 0.047 . 1 . . . . . . . . 5868 1 318 . 1 1 29 29 LEU HA H 1 4.182 0.001 . 1 . . . . . . . . 5868 1 319 . 1 1 29 29 LEU HB2 H 1 2.114 0.001 . 1 . . . . . . . . 5868 1 320 . 1 1 29 29 LEU HB3 H 1 1.642 0.006 . 1 . . . . . . . . 5868 1 321 . 1 1 29 29 LEU HG H 1 1.683 0.003 . 1 . . . . . . . . 5868 1 322 . 1 1 29 29 LEU H H 1 7.607 0.002 . 1 . . . . . . . . 5868 1 323 . 1 1 29 29 LEU N N 15 119.293 0.011 . 1 . . . . . . . . 5868 1 324 . 1 1 29 29 LEU HD11 H 1 1.026 0.002 . 1 . . . . . . . . 5868 1 325 . 1 1 29 29 LEU HD12 H 1 1.026 0.002 . 1 . . . . . . . . 5868 1 326 . 1 1 29 29 LEU HD13 H 1 1.026 0.002 . 1 . . . . . . . . 5868 1 327 . 1 1 29 29 LEU HD21 H 1 1.005 0.004 . 1 . . . . . . . . 5868 1 328 . 1 1 29 29 LEU HD22 H 1 1.005 0.004 . 1 . . . . . . . . 5868 1 329 . 1 1 29 29 LEU HD23 H 1 1.005 0.004 . 1 . . . . . . . . 5868 1 330 . 1 1 30 30 PRO CA C 13 66.875 0.025 . 1 . . . . . . . . 5868 1 331 . 1 1 30 30 PRO CB C 13 30.539 0.029 . 1 . . . . . . . . 5868 1 332 . 1 1 30 30 PRO CD C 13 49.355 0.016 . 1 . . . . . . . . 5868 1 333 . 1 1 30 30 PRO CG C 13 28.596 0.034 . 1 . . . . . . . . 5868 1 334 . 1 1 30 30 PRO C C 13 179.014 0.000 . 1 . . . . . . . . 5868 1 335 . 1 1 30 30 PRO HA H 1 4.183 0.003 . 1 . . . . . . . . 5868 1 336 . 1 1 30 30 PRO HB2 H 1 2.336 0.005 . 1 . . . . . . . . 5868 1 337 . 1 1 30 30 PRO HB3 H 1 1.960 0.002 . 1 . . . . . . . . 5868 1 338 . 1 1 30 30 PRO HD2 H 1 3.825 0.003 . 1 . . . . . . . . 5868 1 339 . 1 1 30 30 PRO HD3 H 1 3.676 0.002 . 1 . . . . . . . . 5868 1 340 . 1 1 30 30 PRO HG2 H 1 2.220 0.003 . 1 . . . . . . . . 5868 1 341 . 1 1 30 30 PRO HG3 H 1 1.959 0.003 . 1 . . . . . . . . 5868 1 342 . 1 1 31 31 ALA CA C 13 54.901 0.017 . 1 . . . . . . . . 5868 1 343 . 1 1 31 31 ALA CB C 13 18.327 0.017 . 1 . . . . . . . . 5868 1 344 . 1 1 31 31 ALA C C 13 180.863 0.000 . 1 . . . . . . . . 5868 1 345 . 1 1 31 31 ALA HA H 1 4.189 0.004 . 1 . . . . . . . . 5868 1 346 . 1 1 31 31 ALA H H 1 7.561 0.001 . 1 . . . . . . . . 5868 1 347 . 1 1 31 31 ALA N N 15 119.798 0.007 . 1 . . . . . . . . 5868 1 348 . 1 1 31 31 ALA HB1 H 1 1.506 0.001 . 1 . . . . . . . . 5868 1 349 . 1 1 31 31 ALA HB2 H 1 1.506 0.001 . 1 . . . . . . . . 5868 1 350 . 1 1 31 31 ALA HB3 H 1 1.506 0.001 . 1 . . . . . . . . 5868 1 351 . 1 1 32 32 LEU CA C 13 58.233 0.041 . 1 . . . . . . . . 5868 1 352 . 1 1 32 32 LEU CB C 13 41.641 0.023 . 1 . . . . . . . . 5868 1 353 . 1 1 32 32 LEU CD1 C 13 24.852 0.023 . 1 . . . . . . . . 5868 1 354 . 1 1 32 32 LEU CD2 C 13 25.195 0.057 . 1 . . . . . . . . 5868 1 355 . 1 1 32 32 LEU CG C 13 27.434 0.054 . 1 . . . . . . . . 5868 1 356 . 1 1 32 32 LEU C C 13 178.926 0.000 . 1 . . . . . . . . 5868 1 357 . 1 1 32 32 LEU HA H 1 4.147 0.005 . 1 . . . . . . . . 5868 1 358 . 1 1 32 32 LEU HB2 H 1 1.940 0.003 . 1 . . . . . . . . 5868 1 359 . 1 1 32 32 LEU HB3 H 1 1.707 0.003 . 1 . . . . . . . . 5868 1 360 . 1 1 32 32 LEU HG H 1 1.720 0.004 . 1 . . . . . . . . 5868 1 361 . 1 1 32 32 LEU H H 1 8.276 0.003 . 1 . . . . . . . . 5868 1 362 . 1 1 32 32 LEU N N 15 120.606 0.022 . 1 . . . . . . . . 5868 1 363 . 1 1 32 32 LEU HD11 H 1 0.953 0.002 . 1 . . . . . . . . 5868 1 364 . 1 1 32 32 LEU HD12 H 1 0.953 0.002 . 1 . . . . . . . . 5868 1 365 . 1 1 32 32 LEU HD13 H 1 0.953 0.002 . 1 . . . . . . . . 5868 1 366 . 1 1 32 32 LEU HD21 H 1 0.935 0.005 . 1 . . . . . . . . 5868 1 367 . 1 1 32 32 LEU HD22 H 1 0.935 0.005 . 1 . . . . . . . . 5868 1 368 . 1 1 32 32 LEU HD23 H 1 0.935 0.005 . 1 . . . . . . . . 5868 1 369 . 1 1 33 33 LEU CA C 13 58.216 0.037 . 1 . . . . . . . . 5868 1 370 . 1 1 33 33 LEU CB C 13 40.574 0.022 . 1 . . . . . . . . 5868 1 371 . 1 1 33 33 LEU CD1 C 13 25.892 0.023 . 1 . . . . . . . . 5868 1 372 . 1 1 33 33 LEU CD2 C 13 22.730 0.005 . 1 . . . . . . . . 5868 1 373 . 1 1 33 33 LEU CG C 13 27.084 0.022 . 1 . . . . . . . . 5868 1 374 . 1 1 33 33 LEU C C 13 179.077 0.000 . 1 . . . . . . . . 5868 1 375 . 1 1 33 33 LEU HA H 1 3.933 0.005 . 1 . . . . . . . . 5868 1 376 . 1 1 33 33 LEU HB2 H 1 1.961 0.004 . 1 . . . . . . . . 5868 1 377 . 1 1 33 33 LEU HB3 H 1 1.399 0.001 . 1 . . . . . . . . 5868 1 378 . 1 1 33 33 LEU HG H 1 1.848 0.003 . 1 . . . . . . . . 5868 1 379 . 1 1 33 33 LEU H H 1 8.494 0.001 . 1 . . . . . . . . 5868 1 380 . 1 1 33 33 LEU N N 15 118.528 0.014 . 1 . . . . . . . . 5868 1 381 . 1 1 33 33 LEU HD11 H 1 0.864 0.003 . 1 . . . . . . . . 5868 1 382 . 1 1 33 33 LEU HD12 H 1 0.864 0.003 . 1 . . . . . . . . 5868 1 383 . 1 1 33 33 LEU HD13 H 1 0.864 0.003 . 1 . . . . . . . . 5868 1 384 . 1 1 33 33 LEU HD21 H 1 0.740 0.003 . 1 . . . . . . . . 5868 1 385 . 1 1 33 33 LEU HD22 H 1 0.740 0.003 . 1 . . . . . . . . 5868 1 386 . 1 1 33 33 LEU HD23 H 1 0.740 0.003 . 1 . . . . . . . . 5868 1 387 . 1 1 34 34 GLN CA C 13 58.763 0.015 . 1 . . . . . . . . 5868 1 388 . 1 1 34 34 GLN CB C 13 28.198 0.077 . 1 . . . . . . . . 5868 1 389 . 1 1 34 34 GLN CG C 13 34.513 0.019 . 1 . . . . . . . . 5868 1 390 . 1 1 34 34 GLN C C 13 178.919 0.000 . 1 . . . . . . . . 5868 1 391 . 1 1 34 34 GLN HA H 1 3.969 0.002 . 1 . . . . . . . . 5868 1 392 . 1 1 34 34 GLN HG2 H 1 2.639 0.001 . 1 . . . . . . . . 5868 1 393 . 1 1 34 34 GLN HG3 H 1 2.381 0.004 . 1 . . . . . . . . 5868 1 394 . 1 1 34 34 GLN H H 1 8.038 0.002 . 1 . . . . . . . . 5868 1 395 . 1 1 34 34 GLN N N 15 117.795 0.026 . 1 . . . . . . . . 5868 1 396 . 1 1 34 34 GLN HB2 H 1 2.074 0.002 . 1 . . . . . . . . 5868 1 397 . 1 1 35 35 GLN CA C 13 59.069 0.043 . 1 . . . . . . . . 5868 1 398 . 1 1 35 35 GLN CB C 13 27.615 0.043 . 1 . . . . . . . . 5868 1 399 . 1 1 35 35 GLN CG C 13 33.048 0.029 . 1 . . . . . . . . 5868 1 400 . 1 1 35 35 GLN C C 13 178.676 0.000 . 1 . . . . . . . . 5868 1 401 . 1 1 35 35 GLN HA H 1 4.026 0.005 . 1 . . . . . . . . 5868 1 402 . 1 1 35 35 GLN HE21 H 1 7.974 0.001 . 1 . . . . . . . . 5868 1 403 . 1 1 35 35 GLN HE22 H 1 6.825 0.004 . 1 . . . . . . . . 5868 1 404 . 1 1 35 35 GLN H H 1 7.830 0.002 . 1 . . . . . . . . 5868 1 405 . 1 1 35 35 GLN N N 15 120.296 0.018 . 1 . . . . . . . . 5868 1 406 . 1 1 35 35 GLN NE2 N 15 112.243 0.036 . 1 . . . . . . . . 5868 1 407 . 1 1 35 35 GLN HB2 H 1 2.243 0.006 . 1 . . . . . . . . 5868 1 408 . 1 1 35 35 GLN HG2 H 1 2.422 0.004 . 1 . . . . . . . . 5868 1 409 . 1 1 36 36 ILE CA C 13 66.166 0.014 . 1 . . . . . . . . 5868 1 410 . 1 1 36 36 ILE CB C 13 37.717 0.025 . 1 . . . . . . . . 5868 1 411 . 1 1 36 36 ILE CD1 C 13 13.614 0.016 . 1 . . . . . . . . 5868 1 412 . 1 1 36 36 ILE CG1 C 13 29.652 0.020 . 1 . . . . . . . . 5868 1 413 . 1 1 36 36 ILE CG2 C 13 17.771 0.017 . 1 . . . . . . . . 5868 1 414 . 1 1 36 36 ILE C C 13 177.696 0.000 . 1 . . . . . . . . 5868 1 415 . 1 1 36 36 ILE HA H 1 3.598 0.003 . 1 . . . . . . . . 5868 1 416 . 1 1 36 36 ILE HB H 1 1.966 0.007 . 1 . . . . . . . . 5868 1 417 . 1 1 36 36 ILE HG12 H 1 2.042 0.003 . 1 . . . . . . . . 5868 1 418 . 1 1 36 36 ILE HG13 H 1 1.007 0.005 . 1 . . . . . . . . 5868 1 419 . 1 1 36 36 ILE H H 1 8.486 0.002 . 1 . . . . . . . . 5868 1 420 . 1 1 36 36 ILE N N 15 120.040 0.022 . 1 . . . . . . . . 5868 1 421 . 1 1 36 36 ILE HD11 H 1 0.792 0.005 . 1 . . . . . . . . 5868 1 422 . 1 1 36 36 ILE HD12 H 1 0.792 0.005 . 1 . . . . . . . . 5868 1 423 . 1 1 36 36 ILE HD13 H 1 0.792 0.005 . 1 . . . . . . . . 5868 1 424 . 1 1 36 36 ILE HG21 H 1 0.836 0.004 . 1 . . . . . . . . 5868 1 425 . 1 1 36 36 ILE HG22 H 1 0.836 0.004 . 1 . . . . . . . . 5868 1 426 . 1 1 36 36 ILE HG23 H 1 0.836 0.004 . 1 . . . . . . . . 5868 1 427 . 1 1 37 37 GLY CA C 13 48.162 0.028 . 1 . . . . . . . . 5868 1 428 . 1 1 37 37 GLY C C 13 174.502 0.000 . 1 . . . . . . . . 5868 1 429 . 1 1 37 37 GLY HA2 H 1 3.815 0.003 . 1 . . . . . . . . 5868 1 430 . 1 1 37 37 GLY HA3 H 1 3.572 0.005 . 1 . . . . . . . . 5868 1 431 . 1 1 37 37 GLY H H 1 8.365 0.002 . 1 . . . . . . . . 5868 1 432 . 1 1 37 37 GLY N N 15 104.802 0.011 . 1 . . . . . . . . 5868 1 433 . 1 1 38 38 ARG CA C 13 58.498 0.017 . 1 . . . . . . . . 5868 1 434 . 1 1 38 38 ARG CB C 13 30.793 0.033 . 1 . . . . . . . . 5868 1 435 . 1 1 38 38 ARG CD C 13 43.538 0.012 . 1 . . . . . . . . 5868 1 436 . 1 1 38 38 ARG CG C 13 27.958 0.017 . 1 . . . . . . . . 5868 1 437 . 1 1 38 38 ARG C C 13 177.936 0.000 . 1 . . . . . . . . 5868 1 438 . 1 1 38 38 ARG HA H 1 4.165 0.002 . 1 . . . . . . . . 5868 1 439 . 1 1 38 38 ARG HD2 H 1 3.254 0.000 . 1 . . . . . . . . 5868 1 440 . 1 1 38 38 ARG HD3 H 1 3.212 0.002 . 1 . . . . . . . . 5868 1 441 . 1 1 38 38 ARG HE H 1 7.299 0.000 . 1 . . . . . . . . 5868 1 442 . 1 1 38 38 ARG HG2 H 1 1.821 0.003 . 1 . . . . . . . . 5868 1 443 . 1 1 38 38 ARG HG3 H 1 1.641 0.002 . 1 . . . . . . . . 5868 1 444 . 1 1 38 38 ARG H H 1 7.435 0.002 . 1 . . . . . . . . 5868 1 445 . 1 1 38 38 ARG N N 15 118.043 0.011 . 1 . . . . . . . . 5868 1 446 . 1 1 38 38 ARG NE N 15 109.569 0.000 . 1 . . . . . . . . 5868 1 447 . 1 1 38 38 ARG HB2 H 1 1.948 0.005 . 1 . . . . . . . . 5868 1 448 . 1 1 39 39 GLU CA C 13 57.684 0.011 . 1 . . . . . . . . 5868 1 449 . 1 1 39 39 GLU CB C 13 31.392 0.022 . 1 . . . . . . . . 5868 1 450 . 1 1 39 39 GLU CG C 13 36.508 0.016 . 1 . . . . . . . . 5868 1 451 . 1 1 39 39 GLU C C 13 177.155 0.000 . 1 . . . . . . . . 5868 1 452 . 1 1 39 39 GLU HA H 1 4.332 0.002 . 1 . . . . . . . . 5868 1 453 . 1 1 39 39 GLU HB2 H 1 2.155 0.002 . 1 . . . . . . . . 5868 1 454 . 1 1 39 39 GLU HB3 H 1 1.917 0.003 . 1 . . . . . . . . 5868 1 455 . 1 1 39 39 GLU HG2 H 1 2.431 0.003 . 1 . . . . . . . . 5868 1 456 . 1 1 39 39 GLU HG3 H 1 2.311 0.002 . 1 . . . . . . . . 5868 1 457 . 1 1 39 39 GLU H H 1 7.703 0.001 . 1 . . . . . . . . 5868 1 458 . 1 1 39 39 GLU N N 15 116.284 0.021 . 1 . . . . . . . . 5868 1 459 . 1 1 40 40 ASN CA C 13 51.001 0.027 . 1 . . . . . . . . 5868 1 460 . 1 1 40 40 ASN CB C 13 38.673 0.027 . 1 . . . . . . . . 5868 1 461 . 1 1 40 40 ASN HA H 1 4.985 0.004 . 1 . . . . . . . . 5868 1 462 . 1 1 40 40 ASN HB2 H 1 3.034 0.003 . 1 . . . . . . . . 5868 1 463 . 1 1 40 40 ASN HB3 H 1 2.554 0.002 . 1 . . . . . . . . 5868 1 464 . 1 1 40 40 ASN HD21 H 1 7.690 0.002 . 1 . . . . . . . . 5868 1 465 . 1 1 40 40 ASN HD22 H 1 6.938 0.004 . 1 . . . . . . . . 5868 1 466 . 1 1 40 40 ASN H H 1 9.045 0.001 . 1 . . . . . . . . 5868 1 467 . 1 1 40 40 ASN N N 15 115.993 0.030 . 1 . . . . . . . . 5868 1 468 . 1 1 40 40 ASN ND2 N 15 111.711 0.024 . 1 . . . . . . . . 5868 1 469 . 1 1 41 41 PRO CA C 13 65.416 0.012 . 1 . . . . . . . . 5868 1 470 . 1 1 41 41 PRO CB C 13 31.744 0.026 . 1 . . . . . . . . 5868 1 471 . 1 1 41 41 PRO CD C 13 50.070 0.031 . 1 . . . . . . . . 5868 1 472 . 1 1 41 41 PRO CG C 13 27.329 0.044 . 1 . . . . . . . . 5868 1 473 . 1 1 41 41 PRO C C 13 179.624 0.000 . 1 . . . . . . . . 5868 1 474 . 1 1 41 41 PRO HA H 1 4.292 0.002 . 1 . . . . . . . . 5868 1 475 . 1 1 41 41 PRO HB2 H 1 2.511 0.004 . 1 . . . . . . . . 5868 1 476 . 1 1 41 41 PRO HB3 H 1 2.013 0.005 . 1 . . . . . . . . 5868 1 477 . 1 1 41 41 PRO HD2 H 1 3.858 0.005 . 1 . . . . . . . . 5868 1 478 . 1 1 41 41 PRO HD3 H 1 3.408 0.003 . 1 . . . . . . . . 5868 1 479 . 1 1 41 41 PRO HG2 H 1 2.179 0.005 . 1 . . . . . . . . 5868 1 480 . 1 1 41 41 PRO HG3 H 1 2.113 0.005 . 1 . . . . . . . . 5868 1 481 . 1 1 42 42 GLN CA C 13 59.237 0.039 . 1 . . . . . . . . 5868 1 482 . 1 1 42 42 GLN CB C 13 27.982 0.014 . 1 . . . . . . . . 5868 1 483 . 1 1 42 42 GLN CG C 13 34.445 0.038 . 1 . . . . . . . . 5868 1 484 . 1 1 42 42 GLN C C 13 178.430 0.000 . 1 . . . . . . . . 5868 1 485 . 1 1 42 42 GLN HA H 1 4.105 0.002 . 1 . . . . . . . . 5868 1 486 . 1 1 42 42 GLN HB2 H 1 2.180 0.006 . 1 . . . . . . . . 5868 1 487 . 1 1 42 42 GLN HB3 H 1 2.084 0.004 . 1 . . . . . . . . 5868 1 488 . 1 1 42 42 GLN H H 1 8.523 0.001 . 1 . . . . . . . . 5868 1 489 . 1 1 42 42 GLN N N 15 118.023 0.026 . 1 . . . . . . . . 5868 1 490 . 1 1 42 42 GLN HG2 H 1 2.443 0.003 . 1 . . . . . . . . 5868 1 491 . 1 1 43 43 LEU CA C 13 57.170 0.019 . 1 . . . . . . . . 5868 1 492 . 1 1 43 43 LEU CB C 13 41.113 0.014 . 1 . . . . . . . . 5868 1 493 . 1 1 43 43 LEU CD1 C 13 23.304 0.007 . 1 . . . . . . . . 5868 1 494 . 1 1 43 43 LEU CD2 C 13 26.177 0.057 . 1 . . . . . . . . 5868 1 495 . 1 1 43 43 LEU CG C 13 27.224 0.033 . 1 . . . . . . . . 5868 1 496 . 1 1 43 43 LEU C C 13 178.751 0.000 . 1 . . . . . . . . 5868 1 497 . 1 1 43 43 LEU HA H 1 4.283 0.003 . 1 . . . . . . . . 5868 1 498 . 1 1 43 43 LEU HB2 H 1 1.788 0.003 . 1 . . . . . . . . 5868 1 499 . 1 1 43 43 LEU HB3 H 1 1.501 0.002 . 1 . . . . . . . . 5868 1 500 . 1 1 43 43 LEU HG H 1 1.498 0.004 . 1 . . . . . . . . 5868 1 501 . 1 1 43 43 LEU H H 1 7.608 0.002 . 1 . . . . . . . . 5868 1 502 . 1 1 43 43 LEU N N 15 121.844 0.008 . 1 . . . . . . . . 5868 1 503 . 1 1 43 43 LEU HD11 H 1 1.053 0.003 . 1 . . . . . . . . 5868 1 504 . 1 1 43 43 LEU HD12 H 1 1.053 0.003 . 1 . . . . . . . . 5868 1 505 . 1 1 43 43 LEU HD13 H 1 1.053 0.003 . 1 . . . . . . . . 5868 1 506 . 1 1 43 43 LEU HD21 H 1 0.957 0.006 . 1 . . . . . . . . 5868 1 507 . 1 1 43 43 LEU HD22 H 1 0.957 0.006 . 1 . . . . . . . . 5868 1 508 . 1 1 43 43 LEU HD23 H 1 0.957 0.006 . 1 . . . . . . . . 5868 1 509 . 1 1 44 44 LEU CA C 13 57.702 0.019 . 1 . . . . . . . . 5868 1 510 . 1 1 44 44 LEU CB C 13 40.614 0.015 . 1 . . . . . . . . 5868 1 511 . 1 1 44 44 LEU CD1 C 13 25.161 0.013 . 1 . . . . . . . . 5868 1 512 . 1 1 44 44 LEU CD2 C 13 23.562 0.009 . 1 . . . . . . . . 5868 1 513 . 1 1 44 44 LEU CG C 13 27.234 0.070 . 1 . . . . . . . . 5868 1 514 . 1 1 44 44 LEU C C 13 178.568 0.000 . 1 . . . . . . . . 5868 1 515 . 1 1 44 44 LEU HA H 1 3.965 0.004 . 1 . . . . . . . . 5868 1 516 . 1 1 44 44 LEU HB2 H 1 1.960 0.003 . 1 . . . . . . . . 5868 1 517 . 1 1 44 44 LEU HB3 H 1 1.282 0.003 . 1 . . . . . . . . 5868 1 518 . 1 1 44 44 LEU HG H 1 1.637 0.006 . 1 . . . . . . . . 5868 1 519 . 1 1 44 44 LEU H H 1 7.428 0.002 . 1 . . . . . . . . 5868 1 520 . 1 1 44 44 LEU N N 15 118.048 0.022 . 1 . . . . . . . . 5868 1 521 . 1 1 44 44 LEU HD11 H 1 0.899 0.001 . 1 . . . . . . . . 5868 1 522 . 1 1 44 44 LEU HD12 H 1 0.899 0.001 . 1 . . . . . . . . 5868 1 523 . 1 1 44 44 LEU HD13 H 1 0.899 0.001 . 1 . . . . . . . . 5868 1 524 . 1 1 44 44 LEU HD21 H 1 0.872 0.004 . 1 . . . . . . . . 5868 1 525 . 1 1 44 44 LEU HD22 H 1 0.872 0.004 . 1 . . . . . . . . 5868 1 526 . 1 1 44 44 LEU HD23 H 1 0.872 0.004 . 1 . . . . . . . . 5868 1 527 . 1 1 45 45 GLN CA C 13 58.888 0.016 . 1 . . . . . . . . 5868 1 528 . 1 1 45 45 GLN CB C 13 28.034 0.046 . 1 . . . . . . . . 5868 1 529 . 1 1 45 45 GLN CG C 13 33.726 0.014 . 1 . . . . . . . . 5868 1 530 . 1 1 45 45 GLN C C 13 178.659 0.000 . 1 . . . . . . . . 5868 1 531 . 1 1 45 45 GLN HA H 1 4.001 0.006 . 1 . . . . . . . . 5868 1 532 . 1 1 45 45 GLN HG2 H 1 2.457 0.002 . 1 . . . . . . . . 5868 1 533 . 1 1 45 45 GLN HG3 H 1 2.384 0.005 . 1 . . . . . . . . 5868 1 534 . 1 1 45 45 GLN H H 1 7.944 0.002 . 1 . . . . . . . . 5868 1 535 . 1 1 45 45 GLN N N 15 118.904 0.027 . 1 . . . . . . . . 5868 1 536 . 1 1 45 45 GLN HB2 H 1 2.206 0.004 . 1 . . . . . . . . 5868 1 537 . 1 1 46 46 GLN CA C 13 59.276 0.015 . 1 . . . . . . . . 5868 1 538 . 1 1 46 46 GLN CB C 13 28.964 0.031 . 1 . . . . . . . . 5868 1 539 . 1 1 46 46 GLN C C 13 178.686 0.000 . 1 . . . . . . . . 5868 1 540 . 1 1 46 46 GLN HA H 1 4.158 0.004 . 1 . . . . . . . . 5868 1 541 . 1 1 46 46 GLN HB2 H 1 2.344 0.003 . 1 . . . . . . . . 5868 1 542 . 1 1 46 46 GLN HB3 H 1 2.156 0.003 . 1 . . . . . . . . 5868 1 543 . 1 1 46 46 GLN HE21 H 1 7.345 0.001 . 1 . . . . . . . . 5868 1 544 . 1 1 46 46 GLN HE22 H 1 6.635 0.003 . 1 . . . . . . . . 5868 1 545 . 1 1 46 46 GLN HG2 H 1 2.555 0.002 . 1 . . . . . . . . 5868 1 546 . 1 1 46 46 GLN HG3 H 1 2.462 0.005 . 1 . . . . . . . . 5868 1 547 . 1 1 46 46 GLN H H 1 7.787 0.002 . 1 . . . . . . . . 5868 1 548 . 1 1 46 46 GLN N N 15 119.000 0.024 . 1 . . . . . . . . 5868 1 549 . 1 1 46 46 GLN NE2 N 15 110.172 0.030 . 1 . . . . . . . . 5868 1 550 . 1 1 47 47 ILE CA C 13 66.017 0.017 . 1 . . . . . . . . 5868 1 551 . 1 1 47 47 ILE CB C 13 37.800 0.021 . 1 . . . . . . . . 5868 1 552 . 1 1 47 47 ILE CD1 C 13 14.182 0.019 . 1 . . . . . . . . 5868 1 553 . 1 1 47 47 ILE CG1 C 13 29.461 0.020 . 1 . . . . . . . . 5868 1 554 . 1 1 47 47 ILE CG2 C 13 16.018 0.014 . 1 . . . . . . . . 5868 1 555 . 1 1 47 47 ILE C C 13 177.290 0.000 . 1 . . . . . . . . 5868 1 556 . 1 1 47 47 ILE HA H 1 3.378 0.003 . 1 . . . . . . . . 5868 1 557 . 1 1 47 47 ILE HB H 1 1.656 0.004 . 1 . . . . . . . . 5868 1 558 . 1 1 47 47 ILE HG12 H 1 1.598 0.003 . 1 . . . . . . . . 5868 1 559 . 1 1 47 47 ILE HG13 H 1 0.301 0.004 . 1 . . . . . . . . 5868 1 560 . 1 1 47 47 ILE H H 1 8.325 0.002 . 1 . . . . . . . . 5868 1 561 . 1 1 47 47 ILE N N 15 119.557 0.018 . 1 . . . . . . . . 5868 1 562 . 1 1 47 47 ILE HD11 H 1 0.312 0.004 . 1 . . . . . . . . 5868 1 563 . 1 1 47 47 ILE HD12 H 1 0.312 0.004 . 1 . . . . . . . . 5868 1 564 . 1 1 47 47 ILE HD13 H 1 0.312 0.004 . 1 . . . . . . . . 5868 1 565 . 1 1 47 47 ILE HG21 H 1 0.125 0.002 . 1 . . . . . . . . 5868 1 566 . 1 1 47 47 ILE HG22 H 1 0.125 0.002 . 1 . . . . . . . . 5868 1 567 . 1 1 47 47 ILE HG23 H 1 0.125 0.002 . 1 . . . . . . . . 5868 1 568 . 1 1 48 48 SER CA C 13 61.579 0.024 . 1 . . . . . . . . 5868 1 569 . 1 1 48 48 SER CB C 13 63.120 0.023 . 1 . . . . . . . . 5868 1 570 . 1 1 48 48 SER C C 13 176.490 0.000 . 1 . . . . . . . . 5868 1 571 . 1 1 48 48 SER HA H 1 4.092 0.002 . 1 . . . . . . . . 5868 1 572 . 1 1 48 48 SER HB2 H 1 3.963 0.008 . 1 . . . . . . . . 5868 1 573 . 1 1 48 48 SER HB3 H 1 3.926 0.007 . 1 . . . . . . . . 5868 1 574 . 1 1 48 48 SER H H 1 8.273 0.002 . 1 . . . . . . . . 5868 1 575 . 1 1 48 48 SER N N 15 112.459 0.023 . 1 . . . . . . . . 5868 1 576 . 1 1 49 49 GLN CA C 13 57.315 0.013 . 1 . . . . . . . . 5868 1 577 . 1 1 49 49 GLN CB C 13 29.170 0.032 . 1 . . . . . . . . 5868 1 578 . 1 1 49 49 GLN CG C 13 33.911 0.042 . 1 . . . . . . . . 5868 1 579 . 1 1 49 49 GLN C C 13 176.034 0.000 . 1 . . . . . . . . 5868 1 580 . 1 1 49 49 GLN HA H 1 4.095 0.002 . 1 . . . . . . . . 5868 1 581 . 1 1 49 49 GLN HB2 H 1 1.978 0.003 . 1 . . . . . . . . 5868 1 582 . 1 1 49 49 GLN HB3 H 1 1.793 0.002 . 1 . . . . . . . . 5868 1 583 . 1 1 49 49 GLN HE21 H 1 7.303 0.003 . 1 . . . . . . . . 5868 1 584 . 1 1 49 49 GLN HE22 H 1 6.812 0.005 . 1 . . . . . . . . 5868 1 585 . 1 1 49 49 GLN HG2 H 1 2.315 0.005 . 1 . . . . . . . . 5868 1 586 . 1 1 49 49 GLN HG3 H 1 2.151 0.005 . 1 . . . . . . . . 5868 1 587 . 1 1 49 49 GLN H H 1 7.645 0.002 . 1 . . . . . . . . 5868 1 588 . 1 1 49 49 GLN N N 15 119.274 0.042 . 1 . . . . . . . . 5868 1 589 . 1 1 49 49 GLN NE2 N 15 111.310 0.054 . 1 . . . . . . . . 5868 1 590 . 1 1 50 50 HIS CA C 13 54.497 0.012 . 1 . . . . . . . . 5868 1 591 . 1 1 50 50 HIS CB C 13 30.202 0.055 . 1 . . . . . . . . 5868 1 592 . 1 1 50 50 HIS C C 13 176.388 0.000 . 1 . . . . . . . . 5868 1 593 . 1 1 50 50 HIS HA H 1 5.152 0.002 . 1 . . . . . . . . 5868 1 594 . 1 1 50 50 HIS HB2 H 1 3.398 0.006 . 1 . . . . . . . . 5868 1 595 . 1 1 50 50 HIS HB3 H 1 2.905 0.003 . 1 . . . . . . . . 5868 1 596 . 1 1 50 50 HIS H H 1 7.674 0.003 . 1 . . . . . . . . 5868 1 597 . 1 1 50 50 HIS N N 15 119.298 0.025 . 1 . . . . . . . . 5868 1 598 . 1 1 51 51 GLN CA C 13 60.750 0.007 . 1 . . . . . . . . 5868 1 599 . 1 1 51 51 GLN CB C 13 29.278 0.014 . 1 . . . . . . . . 5868 1 600 . 1 1 51 51 GLN CG C 13 34.314 0.019 . 1 . . . . . . . . 5868 1 601 . 1 1 51 51 GLN C C 13 177.817 0.000 . 1 . . . . . . . . 5868 1 602 . 1 1 51 51 GLN HA H 1 4.077 0.002 . 1 . . . . . . . . 5868 1 603 . 1 1 51 51 GLN HB2 H 1 2.264 0.003 . 1 . . . . . . . . 5868 1 604 . 1 1 51 51 GLN HB3 H 1 2.170 0.003 . 1 . . . . . . . . 5868 1 605 . 1 1 51 51 GLN HE21 H 1 7.453 0.002 . 1 . . . . . . . . 5868 1 606 . 1 1 51 51 GLN HE22 H 1 6.621 0.002 . 1 . . . . . . . . 5868 1 607 . 1 1 51 51 GLN H H 1 7.590 0.002 . 1 . . . . . . . . 5868 1 608 . 1 1 51 51 GLN N N 15 121.426 0.031 . 1 . . . . . . . . 5868 1 609 . 1 1 51 51 GLN NE2 N 15 109.915 0.026 . 1 . . . . . . . . 5868 1 610 . 1 1 51 51 GLN HG2 H 1 2.414 0.004 . 1 . . . . . . . . 5868 1 611 . 1 1 52 52 GLU CA C 13 59.984 0.039 . 1 . . . . . . . . 5868 1 612 . 1 1 52 52 GLU CB C 13 28.710 0.036 . 1 . . . . . . . . 5868 1 613 . 1 1 52 52 GLU CG C 13 36.587 0.026 . 1 . . . . . . . . 5868 1 614 . 1 1 52 52 GLU C C 13 179.246 0.000 . 1 . . . . . . . . 5868 1 615 . 1 1 52 52 GLU HA H 1 4.078 0.004 . 1 . . . . . . . . 5868 1 616 . 1 1 52 52 GLU HB2 H 1 2.056 0.005 . 1 . . . . . . . . 5868 1 617 . 1 1 52 52 GLU HB3 H 1 2.011 0.006 . 1 . . . . . . . . 5868 1 618 . 1 1 52 52 GLU H H 1 8.919 0.001 . 1 . . . . . . . . 5868 1 619 . 1 1 52 52 GLU N N 15 118.365 0.022 . 1 . . . . . . . . 5868 1 620 . 1 1 52 52 GLU HG2 H 1 2.282 0.005 . 1 . . . . . . . . 5868 1 621 . 1 1 53 53 HIS CA C 13 58.979 0.030 . 1 . . . . . . . . 5868 1 622 . 1 1 53 53 HIS CB C 13 31.013 0.005 . 1 . . . . . . . . 5868 1 623 . 1 1 53 53 HIS C C 13 177.505 0.000 . 1 . . . . . . . . 5868 1 624 . 1 1 53 53 HIS HA H 1 4.433 0.002 . 1 . . . . . . . . 5868 1 625 . 1 1 53 53 HIS H H 1 8.028 0.001 . 1 . . . . . . . . 5868 1 626 . 1 1 53 53 HIS N N 15 119.542 0.026 . 1 . . . . . . . . 5868 1 627 . 1 1 53 53 HIS HB2 H 1 3.212 0.003 . 1 . . . . . . . . 5868 1 628 . 1 1 54 54 PHE CA C 13 61.274 0.019 . 1 . . . . . . . . 5868 1 629 . 1 1 54 54 PHE CB C 13 39.392 0.038 . 1 . . . . . . . . 5868 1 630 . 1 1 54 54 PHE C C 13 176.253 0.000 . 1 . . . . . . . . 5868 1 631 . 1 1 54 54 PHE HA H 1 4.190 0.003 . 1 . . . . . . . . 5868 1 632 . 1 1 54 54 PHE HB2 H 1 3.293 0.003 . 1 . . . . . . . . 5868 1 633 . 1 1 54 54 PHE HB3 H 1 3.102 0.004 . 1 . . . . . . . . 5868 1 634 . 1 1 54 54 PHE H H 1 8.363 0.001 . 1 . . . . . . . . 5868 1 635 . 1 1 54 54 PHE N N 15 119.991 0.034 . 1 . . . . . . . . 5868 1 636 . 1 1 55 55 ILE CA C 13 64.335 0.022 . 1 . . . . . . . . 5868 1 637 . 1 1 55 55 ILE CB C 13 37.319 0.049 . 1 . . . . . . . . 5868 1 638 . 1 1 55 55 ILE CD1 C 13 12.304 0.008 . 1 . . . . . . . . 5868 1 639 . 1 1 55 55 ILE CG1 C 13 29.057 0.009 . 1 . . . . . . . . 5868 1 640 . 1 1 55 55 ILE CG2 C 13 17.589 0.020 . 1 . . . . . . . . 5868 1 641 . 1 1 55 55 ILE C C 13 178.423 0.000 . 1 . . . . . . . . 5868 1 642 . 1 1 55 55 ILE HA H 1 3.427 0.002 . 1 . . . . . . . . 5868 1 643 . 1 1 55 55 ILE HB H 1 2.005 0.003 . 1 . . . . . . . . 5868 1 644 . 1 1 55 55 ILE HG12 H 1 1.776 0.005 . 1 . . . . . . . . 5868 1 645 . 1 1 55 55 ILE HG13 H 1 1.381 0.002 . 1 . . . . . . . . 5868 1 646 . 1 1 55 55 ILE H H 1 8.394 0.001 . 1 . . . . . . . . 5868 1 647 . 1 1 55 55 ILE N N 15 118.006 0.017 . 1 . . . . . . . . 5868 1 648 . 1 1 55 55 ILE HD11 H 1 0.884 0.004 . 1 . . . . . . . . 5868 1 649 . 1 1 55 55 ILE HD12 H 1 0.884 0.004 . 1 . . . . . . . . 5868 1 650 . 1 1 55 55 ILE HD13 H 1 0.884 0.004 . 1 . . . . . . . . 5868 1 651 . 1 1 55 55 ILE HG21 H 1 0.900 0.003 . 1 . . . . . . . . 5868 1 652 . 1 1 55 55 ILE HG22 H 1 0.900 0.003 . 1 . . . . . . . . 5868 1 653 . 1 1 55 55 ILE HG23 H 1 0.900 0.003 . 1 . . . . . . . . 5868 1 654 . 1 1 56 56 GLN CA C 13 59.233 0.026 . 1 . . . . . . . . 5868 1 655 . 1 1 56 56 GLN CB C 13 28.105 0.000 . 1 . . . . . . . . 5868 1 656 . 1 1 56 56 GLN CG C 13 33.945 0.049 . 1 . . . . . . . . 5868 1 657 . 1 1 56 56 GLN C C 13 179.259 0.000 . 1 . . . . . . . . 5868 1 658 . 1 1 56 56 GLN HA H 1 4.028 0.005 . 1 . . . . . . . . 5868 1 659 . 1 1 56 56 GLN HG2 H 1 2.524 0.004 . 1 . . . . . . . . 5868 1 660 . 1 1 56 56 GLN HG3 H 1 2.400 0.002 . 1 . . . . . . . . 5868 1 661 . 1 1 56 56 GLN H H 1 7.839 0.001 . 1 . . . . . . . . 5868 1 662 . 1 1 56 56 GLN N N 15 119.330 0.014 . 1 . . . . . . . . 5868 1 663 . 1 1 56 56 GLN HB2 H 1 2.204 0.005 . 1 . . . . . . . . 5868 1 664 . 1 1 57 57 MET CA C 13 58.879 0.027 . 1 . . . . . . . . 5868 1 665 . 1 1 57 57 MET CB C 13 33.466 0.013 . 1 . . . . . . . . 5868 1 666 . 1 1 57 57 MET C C 13 179.096 0.000 . 1 . . . . . . . . 5868 1 667 . 1 1 57 57 MET HA H 1 4.127 0.003 . 1 . . . . . . . . 5868 1 668 . 1 1 57 57 MET HB2 H 1 2.222 0.008 . 1 . . . . . . . . 5868 1 669 . 1 1 57 57 MET HB3 H 1 2.039 0.003 . 1 . . . . . . . . 5868 1 670 . 1 1 57 57 MET HG2 H 1 2.535 0.010 . 1 . . . . . . . . 5868 1 671 . 1 1 57 57 MET HG3 H 1 2.395 0.003 . 1 . . . . . . . . 5868 1 672 . 1 1 57 57 MET H H 1 8.085 0.002 . 1 . . . . . . . . 5868 1 673 . 1 1 57 57 MET N N 15 118.442 0.029 . 1 . . . . . . . . 5868 1 674 . 1 1 58 58 LEU CA C 13 56.890 0.021 . 1 . . . . . . . . 5868 1 675 . 1 1 58 58 LEU CB C 13 42.086 0.030 . 1 . . . . . . . . 5868 1 676 . 1 1 58 58 LEU CD1 C 13 26.121 0.010 . 1 . . . . . . . . 5868 1 677 . 1 1 58 58 LEU CD2 C 13 23.507 0.016 . 1 . . . . . . . . 5868 1 678 . 1 1 58 58 LEU CG C 13 26.041 0.035 . 1 . . . . . . . . 5868 1 679 . 1 1 58 58 LEU C C 13 176.899 0.000 . 1 . . . . . . . . 5868 1 680 . 1 1 58 58 LEU HA H 1 3.798 0.002 . 1 . . . . . . . . 5868 1 681 . 1 1 58 58 LEU HB2 H 1 1.691 0.001 . 1 . . . . . . . . 5868 1 682 . 1 1 58 58 LEU HB3 H 1 1.232 0.003 . 1 . . . . . . . . 5868 1 683 . 1 1 58 58 LEU HG H 1 1.285 0.005 . 1 . . . . . . . . 5868 1 684 . 1 1 58 58 LEU H H 1 7.891 0.003 . 1 . . . . . . . . 5868 1 685 . 1 1 58 58 LEU N N 15 118.837 0.029 . 1 . . . . . . . . 5868 1 686 . 1 1 58 58 LEU HD11 H 1 0.456 0.004 . 1 . . . . . . . . 5868 1 687 . 1 1 58 58 LEU HD12 H 1 0.456 0.004 . 1 . . . . . . . . 5868 1 688 . 1 1 58 58 LEU HD13 H 1 0.456 0.004 . 1 . . . . . . . . 5868 1 689 . 1 1 58 58 LEU HD21 H 1 0.444 0.004 . 1 . . . . . . . . 5868 1 690 . 1 1 58 58 LEU HD22 H 1 0.444 0.004 . 1 . . . . . . . . 5868 1 691 . 1 1 58 58 LEU HD23 H 1 0.444 0.004 . 1 . . . . . . . . 5868 1 692 . 1 1 59 59 ASN CA C 13 53.428 0.027 . 1 . . . . . . . . 5868 1 693 . 1 1 59 59 ASN CB C 13 40.189 0.014 . 1 . . . . . . . . 5868 1 694 . 1 1 59 59 ASN C C 13 175.082 0.000 . 1 . . . . . . . . 5868 1 695 . 1 1 59 59 ASN HA H 1 4.593 0.004 . 1 . . . . . . . . 5868 1 696 . 1 1 59 59 ASN HB2 H 1 2.836 0.004 . 1 . . . . . . . . 5868 1 697 . 1 1 59 59 ASN HB3 H 1 2.633 0.004 . 1 . . . . . . . . 5868 1 698 . 1 1 59 59 ASN HD21 H 1 7.444 0.002 . 1 . . . . . . . . 5868 1 699 . 1 1 59 59 ASN HD22 H 1 6.793 0.003 . 1 . . . . . . . . 5868 1 700 . 1 1 59 59 ASN H H 1 7.450 0.002 . 1 . . . . . . . . 5868 1 701 . 1 1 59 59 ASN N N 15 114.427 0.042 . 1 . . . . . . . . 5868 1 702 . 1 1 59 59 ASN ND2 N 15 112.395 0.039 . 1 . . . . . . . . 5868 1 703 . 1 1 60 60 GLU CA C 13 55.163 0.015 . 1 . . . . . . . . 5868 1 704 . 1 1 60 60 GLU CB C 13 29.504 0.016 . 1 . . . . . . . . 5868 1 705 . 1 1 60 60 GLU CG C 13 36.111 0.010 . 1 . . . . . . . . 5868 1 706 . 1 1 60 60 GLU HA H 1 4.443 0.002 . 1 . . . . . . . . 5868 1 707 . 1 1 60 60 GLU HG2 H 1 2.520 0.001 . 1 . . . . . . . . 5868 1 708 . 1 1 60 60 GLU HG3 H 1 2.331 0.003 . 1 . . . . . . . . 5868 1 709 . 1 1 60 60 GLU H H 1 7.354 0.002 . 1 . . . . . . . . 5868 1 710 . 1 1 60 60 GLU N N 15 122.591 0.005 . 1 . . . . . . . . 5868 1 711 . 1 1 60 60 GLU HB2 H 1 2.010 0.003 . 1 . . . . . . . . 5868 1 712 . 1 1 61 61 PRO CA C 13 63.094 0.010 . 1 . . . . . . . . 5868 1 713 . 1 1 61 61 PRO CB C 13 32.132 0.020 . 1 . . . . . . . . 5868 1 714 . 1 1 61 61 PRO CD C 13 50.733 0.025 . 1 . . . . . . . . 5868 1 715 . 1 1 61 61 PRO CG C 13 27.505 0.021 . 1 . . . . . . . . 5868 1 716 . 1 1 61 61 PRO C C 13 176.994 0.000 . 1 . . . . . . . . 5868 1 717 . 1 1 61 61 PRO HA H 1 4.481 0.002 . 1 . . . . . . . . 5868 1 718 . 1 1 61 61 PRO HB2 H 1 2.286 0.003 . 1 . . . . . . . . 5868 1 719 . 1 1 61 61 PRO HB3 H 1 1.851 0.004 . 1 . . . . . . . . 5868 1 720 . 1 1 61 61 PRO HD2 H 1 3.897 0.001 . 1 . . . . . . . . 5868 1 721 . 1 1 61 61 PRO HD3 H 1 3.648 0.002 . 1 . . . . . . . . 5868 1 722 . 1 1 61 61 PRO HG2 H 1 2.022 0.003 . 1 . . . . . . . . 5868 1 723 . 1 1 62 62 VAL CA C 13 62.584 0.060 . 1 . . . . . . . . 5868 1 724 . 1 1 62 62 VAL CB C 13 32.654 0.018 . 1 . . . . . . . . 5868 1 725 . 1 1 62 62 VAL CG1 C 13 20.932 0.011 . 1 . . . . . . . . 5868 1 726 . 1 1 62 62 VAL CG2 C 13 21.294 0.016 . 1 . . . . . . . . 5868 1 727 . 1 1 62 62 VAL C C 13 176.140 0.000 . 1 . . . . . . . . 5868 1 728 . 1 1 62 62 VAL HA H 1 4.000 0.005 . 1 . . . . . . . . 5868 1 729 . 1 1 62 62 VAL HB H 1 2.019 0.001 . 1 . . . . . . . . 5868 1 730 . 1 1 62 62 VAL H H 1 8.401 0.003 . 1 . . . . . . . . 5868 1 731 . 1 1 62 62 VAL N N 15 121.326 0.002 . 1 . . . . . . . . 5868 1 732 . 1 1 62 62 VAL HG11 H 1 0.929 0.003 . 1 . . . . . . . . 5868 1 733 . 1 1 62 62 VAL HG12 H 1 0.929 0.003 . 1 . . . . . . . . 5868 1 734 . 1 1 62 62 VAL HG13 H 1 0.929 0.003 . 1 . . . . . . . . 5868 1 735 . 1 1 62 62 VAL HG21 H 1 0.904 0.005 . 1 . . . . . . . . 5868 1 736 . 1 1 62 62 VAL HG22 H 1 0.904 0.005 . 1 . . . . . . . . 5868 1 737 . 1 1 62 62 VAL HG23 H 1 0.904 0.005 . 1 . . . . . . . . 5868 1 738 . 1 1 63 63 GLN CA C 13 55.556 0.009 . 1 . . . . . . . . 5868 1 739 . 1 1 63 63 GLN CB C 13 29.670 0.009 . 1 . . . . . . . . 5868 1 740 . 1 1 63 63 GLN CG C 13 33.801 0.043 . 1 . . . . . . . . 5868 1 741 . 1 1 63 63 GLN C C 13 175.679 0.000 . 1 . . . . . . . . 5868 1 742 . 1 1 63 63 GLN HA H 1 4.353 0.002 . 1 . . . . . . . . 5868 1 743 . 1 1 63 63 GLN HB2 H 1 2.055 0.004 . 1 . . . . . . . . 5868 1 744 . 1 1 63 63 GLN HB3 H 1 1.947 0.004 . 1 . . . . . . . . 5868 1 745 . 1 1 63 63 GLN HE21 H 1 7.528 0.000 . 1 . . . . . . . . 5868 1 746 . 1 1 63 63 GLN HG2 H 1 2.372 0.000 . 1 . . . . . . . . 5868 1 747 . 1 1 63 63 GLN HG3 H 1 2.333 0.004 . 1 . . . . . . . . 5868 1 748 . 1 1 63 63 GLN H H 1 8.430 0.001 . 1 . . . . . . . . 5868 1 749 . 1 1 63 63 GLN N N 15 124.838 0.021 . 1 . . . . . . . . 5868 1 750 . 1 1 63 63 GLN NE2 N 15 111.796 0.000 . 1 . . . . . . . . 5868 1 751 . 1 1 64 64 GLU CA C 13 56.516 0.019 . 1 . . . . . . . . 5868 1 752 . 1 1 64 64 GLU CB C 13 30.402 0.013 . 1 . . . . . . . . 5868 1 753 . 1 1 64 64 GLU CG C 13 36.214 0.017 . 1 . . . . . . . . 5868 1 754 . 1 1 64 64 GLU C C 13 176.242 0.000 . 1 . . . . . . . . 5868 1 755 . 1 1 64 64 GLU HA H 1 4.252 0.003 . 1 . . . . . . . . 5868 1 756 . 1 1 64 64 GLU HB2 H 1 2.033 0.002 . 1 . . . . . . . . 5868 1 757 . 1 1 64 64 GLU HB3 H 1 1.921 0.004 . 1 . . . . . . . . 5868 1 758 . 1 1 64 64 GLU H H 1 8.517 0.001 . 1 . . . . . . . . 5868 1 759 . 1 1 64 64 GLU N N 15 123.320 0.017 . 1 . . . . . . . . 5868 1 760 . 1 1 64 64 GLU HG2 H 1 2.242 0.003 . 1 . . . . . . . . 5868 1 761 . 1 1 65 65 ALA CA C 13 52.696 0.012 . 1 . . . . . . . . 5868 1 762 . 1 1 65 65 ALA CB C 13 19.241 0.015 . 1 . . . . . . . . 5868 1 763 . 1 1 65 65 ALA C C 13 178.259 0.000 . 1 . . . . . . . . 5868 1 764 . 1 1 65 65 ALA HA H 1 4.329 0.002 . 1 . . . . . . . . 5868 1 765 . 1 1 65 65 ALA H H 1 8.463 0.001 . 1 . . . . . . . . 5868 1 766 . 1 1 65 65 ALA N N 15 125.792 0.021 . 1 . . . . . . . . 5868 1 767 . 1 1 65 65 ALA HB1 H 1 1.397 0.001 . 1 . . . . . . . . 5868 1 768 . 1 1 65 65 ALA HB2 H 1 1.397 0.001 . 1 . . . . . . . . 5868 1 769 . 1 1 65 65 ALA HB3 H 1 1.397 0.001 . 1 . . . . . . . . 5868 1 770 . 1 1 66 66 GLY CA C 13 45.311 0.000 . 1 . . . . . . . . 5868 1 771 . 1 1 66 66 GLY C C 13 174.900 0.000 . 1 . . . . . . . . 5868 1 772 . 1 1 66 66 GLY HA2 H 1 4.746 0.000 . 1 . . . . . . . . 5868 1 773 . 1 1 66 66 GLY HA3 H 1 3.985 0.002 . 1 . . . . . . . . 5868 1 774 . 1 1 66 66 GLY H H 1 8.426 0.000 . 1 . . . . . . . . 5868 1 775 . 1 1 66 66 GLY N N 15 108.363 0.012 . 1 . . . . . . . . 5868 1 776 . 1 1 67 67 GLY CA C 13 45.311 0.000 . 1 . . . . . . . . 5868 1 777 . 1 1 67 67 GLY C C 13 174.495 0.000 . 1 . . . . . . . . 5868 1 778 . 1 1 67 67 GLY HA2 H 1 4.742 0.000 . 1 . . . . . . . . 5868 1 779 . 1 1 67 67 GLY HA3 H 1 3.985 0.002 . 1 . . . . . . . . 5868 1 780 . 1 1 67 67 GLY H H 1 8.284 0.001 . 1 . . . . . . . . 5868 1 781 . 1 1 67 67 GLY N N 15 108.621 0.014 . 1 . . . . . . . . 5868 1 782 . 1 1 68 68 GLN C C 13 176.745 0.000 . 1 . . . . . . . . 5868 1 783 . 1 1 68 68 GLN HA H 1 4.389 0.000 . 1 . . . . . . . . 5868 1 784 . 1 1 68 68 GLN HB2 H 1 2.165 0.000 . 1 . . . . . . . . 5868 1 785 . 1 1 68 68 GLN HB3 H 1 2.008 0.000 . 1 . . . . . . . . 5868 1 786 . 1 1 68 68 GLN HE21 H 1 7.533 0.000 . 1 . . . . . . . . 5868 1 787 . 1 1 68 68 GLN HE22 H 1 6.847 0.000 . 1 . . . . . . . . 5868 1 788 . 1 1 68 68 GLN H H 1 8.395 0.003 . 1 . . . . . . . . 5868 1 789 . 1 1 68 68 GLN N N 15 119.858 0.038 . 1 . . . . . . . . 5868 1 790 . 1 1 68 68 GLN NE2 N 15 112.436 0.030 . 1 . . . . . . . . 5868 1 791 . 1 1 68 68 GLN HG2 H 1 2.359 0.000 . 1 . . . . . . . . 5868 1 792 . 1 1 69 69 GLY CA C 13 45.311 0.000 . 1 . . . . . . . . 5868 1 793 . 1 1 69 69 GLY C C 13 174.787 0.000 . 1 . . . . . . . . 5868 1 794 . 1 1 69 69 GLY HA2 H 1 4.747 0.000 . 1 . . . . . . . . 5868 1 795 . 1 1 69 69 GLY HA3 H 1 3.985 0.002 . 1 . . . . . . . . 5868 1 796 . 1 1 69 69 GLY H H 1 8.529 0.002 . 1 . . . . . . . . 5868 1 797 . 1 1 69 69 GLY N N 15 110.143 0.001 . 1 . . . . . . . . 5868 1 798 . 1 1 70 70 GLY CA C 13 45.303 0.000 . 1 . . . . . . . . 5868 1 799 . 1 1 70 70 GLY C C 13 174.811 0.000 . 1 . . . . . . . . 5868 1 800 . 1 1 70 70 GLY HA2 H 1 4.743 0.000 . 1 . . . . . . . . 5868 1 801 . 1 1 70 70 GLY HA3 H 1 3.978 0.001 . 1 . . . . . . . . 5868 1 802 . 1 1 70 70 GLY H H 1 8.345 0.002 . 1 . . . . . . . . 5868 1 803 . 1 1 70 70 GLY N N 15 109.210 0.026 . 1 . . . . . . . . 5868 1 804 . 1 1 71 71 GLY CA C 13 45.311 0.000 . 1 . . . . . . . . 5868 1 805 . 1 1 71 71 GLY C C 13 173.831 0.000 . 1 . . . . . . . . 5868 1 806 . 1 1 71 71 GLY HA2 H 1 4.744 0.000 . 1 . . . . . . . . 5868 1 807 . 1 1 71 71 GLY HA3 H 1 3.985 0.002 . 1 . . . . . . . . 5868 1 808 . 1 1 71 71 GLY H H 1 8.313 0.004 . 1 . . . . . . . . 5868 1 809 . 1 1 71 71 GLY N N 15 108.905 0.000 . 1 . . . . . . . . 5868 1 810 . 1 1 72 72 GLY HA2 H 1 4.745 0.000 . 1 . . . . . . . . 5868 1 811 . 1 1 72 72 GLY H H 1 8.001 0.002 . 1 . . . . . . . . 5868 1 812 . 1 1 72 72 GLY N N 15 115.294 0.038 . 1 . . . . . . . . 5868 1 stop_ save_