data_6631 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6631 _Entry.Title ; Solution structure of a human ubiquitin-like domain in SF3A1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-12 _Entry.Accession_date 2005-05-26 _Entry.Last_release_date 2007-11-13 _Entry.Original_release_date 2007-11-13 _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 J. Lukin . A. . 6631 2 S. Dhe-Paganon . . . 6631 3 V. Guido . . . 6631 4 C. Arrowsmith . H. . 6631 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6631 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 587 6631 '13C chemical shifts' 365 6631 '15N chemical shifts' 91 6631 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 . . 2007-11-13 2005-05-12 original author . 6631 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6631 _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 'Solution structure of a human ubiquitin-like domain in SF3A1' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _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.Entry_ID _Citation_author.Citation_ID 1 G. Avvakumov . V. . 6631 1 2 S. Xue . . . 6631 1 3 E. Newman . M. . 6631 1 4 F. Mackenzie . . . 6631 1 5 S. Dhe-Paganon . . . 6631 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID UBIQUITIN 6631 1 'SPLICING FACTOR' 6631 1 'Structural Genomics' 6631 1 'Structural Genomics Consortium' 6631 1 SGC 6631 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Splicing_factor_3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Splicing_factor_3 _Assembly.Entry_ID 6631 _Assembly.ID 1 _Assembly.Name 'Splicing factor 3 subunit 1' _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 6631 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 'Splicing factor 3 subunit 1' 1 $Splicing_factor_3 . . . native . . . . . 6631 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 1ZKH . . . . . . 6631 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Splicing factor 3 subunit 1' system 6631 1 'Splicing factor 3 subunit 1' abbreviation 6631 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Splicing_factor_3 _Entity.Sf_category entity _Entity.Sf_framecode Splicing_factor_3 _Entity.Entry_ID 6631 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Splicing factor 3' _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 ; PVSIKVQVPNMQDKTEWKLN GQVLVFTLPLTDQVSVIKVK IHEATGMPAGKQKLQYEGIF IKDSNSLAYYNMANGAVIHL ALKERG ; _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 86 _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 1WE7 . "Solution Structure Of Ubiquitin-Like Domain In Sf3a120" . . . . . 98.84 115 97.65 98.82 8.97e-53 . . . . 6631 1 2 no PDB 1ZKH . "Solution Structure Of A Human Ubiquitin-Like Domain In Sf3a1" . . . . . 98.84 86 100.00 100.00 3.16e-54 . . . . 6631 1 3 no DBJ BAC26142 . "unnamed protein product [Mus musculus]" . . . . . 100.00 791 97.67 98.84 7.11e-50 . . . . 6631 1 4 no DBJ BAC26294 . "unnamed protein product [Mus musculus]" . . . . . 100.00 791 97.67 98.84 6.50e-50 . . . . 6631 1 5 no DBJ BAG64353 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 690 100.00 100.00 7.19e-52 . . . . 6631 1 6 no DBJ BAG72797 . "splicing factor 3a, subunit 1 [synthetic construct]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 7 no DBJ BAK62823 . "splicing factor 3 subunit 1 [Pan troglodytes]" . . . . . 100.00 793 100.00 100.00 9.49e-52 . . . . 6631 1 8 no EMBL CAA59494 . "human splicing factor [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 9 no EMBL CAG30461 . "SF3A1 [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 10 no EMBL CAK54605 . "SF3A1 [synthetic construct]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 11 no EMBL CAK54904 . "SF3A1 [synthetic construct]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 12 no GB AAC23435 . "spliceosome associated protein 114 (SF3a) [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 13 no GB AAH01976 . "Splicing factor 3a, subunit 1, 120kDa [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 14 no GB AAH07684 . "Splicing factor 3a, subunit 1, 120kDa [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 15 no GB AAH10727 . "Sf3a1 protein [Mus musculus]" . . . . . 100.00 177 97.67 98.84 6.10e-54 . . . . 6631 1 16 no GB AAH29753 . "Splicing factor 3a, subunit 1 [Mus musculus]" . . . . . 100.00 791 97.67 98.84 6.50e-50 . . . . 6631 1 17 no REF NP_001074979 . "splicing factor 3A subunit 1 [Bos taurus]" . . . . . 100.00 793 100.00 100.00 8.94e-52 . . . . 6631 1 18 no REF NP_001100705 . "splicing factor 3A subunit 1 [Rattus norvegicus]" . . . . . 100.00 791 97.67 98.84 6.83e-50 . . . . 6631 1 19 no REF NP_001244628 . "splicing factor 3A subunit 1 [Macaca mulatta]" . . . . . 100.00 793 100.00 100.00 9.11e-52 . . . . 6631 1 20 no REF NP_001267465 . "splicing factor 3A subunit 1 [Pan troglodytes]" . . . . . 100.00 793 100.00 100.00 9.49e-52 . . . . 6631 1 21 no REF NP_005868 . "splicing factor 3A subunit 1 [Homo sapiens]" . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 22 no SP A2VDN6 . "RecName: Full=Splicing factor 3A subunit 1 [Bos taurus]" . . . . . 100.00 793 100.00 100.00 8.94e-52 . . . . 6631 1 23 no SP Q15459 . "RecName: Full=Splicing factor 3A subunit 1; AltName: Full=SF3a120; AltName: Full=Spliceosome-associated protein 114; Short=SAP " . . . . . 100.00 793 100.00 100.00 8.59e-52 . . . . 6631 1 24 no SP Q8K4Z5 . "RecName: Full=Splicing factor 3A subunit 1; AltName: Full=SF3a120 [Mus musculus]" . . . . . 100.00 791 97.67 98.84 6.50e-50 . . . . 6631 1 25 no TPG DAA20517 . "TPA: splicing factor 3 subunit 1 [Bos taurus]" . . . . . 100.00 793 100.00 100.00 8.94e-52 . . . . 6631 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Splicing factor 3' common 6631 1 'Splicing factor 3 subunit 1' abbreviation 6631 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 . PRO . 6631 1 2 . VAL . 6631 1 3 . SER . 6631 1 4 . ILE . 6631 1 5 . LYS . 6631 1 6 . VAL . 6631 1 7 . GLN . 6631 1 8 . VAL . 6631 1 9 . PRO . 6631 1 10 . ASN . 6631 1 11 . MET . 6631 1 12 . GLN . 6631 1 13 . ASP . 6631 1 14 . LYS . 6631 1 15 . THR . 6631 1 16 . GLU . 6631 1 17 . TRP . 6631 1 18 . LYS . 6631 1 19 . LEU . 6631 1 20 . ASN . 6631 1 21 . GLY . 6631 1 22 . GLN . 6631 1 23 . VAL . 6631 1 24 . LEU . 6631 1 25 . VAL . 6631 1 26 . PHE . 6631 1 27 . THR . 6631 1 28 . LEU . 6631 1 29 . PRO . 6631 1 30 . LEU . 6631 1 31 . THR . 6631 1 32 . ASP . 6631 1 33 . GLN . 6631 1 34 . VAL . 6631 1 35 . SER . 6631 1 36 . VAL . 6631 1 37 . ILE . 6631 1 38 . LYS . 6631 1 39 . VAL . 6631 1 40 . LYS . 6631 1 41 . ILE . 6631 1 42 . HIS . 6631 1 43 . GLU . 6631 1 44 . ALA . 6631 1 45 . THR . 6631 1 46 . GLY . 6631 1 47 . MET . 6631 1 48 . PRO . 6631 1 49 . ALA . 6631 1 50 . GLY . 6631 1 51 . LYS . 6631 1 52 . GLN . 6631 1 53 . LYS . 6631 1 54 . LEU . 6631 1 55 . GLN . 6631 1 56 . TYR . 6631 1 57 . GLU . 6631 1 58 . GLY . 6631 1 59 . ILE . 6631 1 60 . PHE . 6631 1 61 . ILE . 6631 1 62 . LYS . 6631 1 63 . ASP . 6631 1 64 . SER . 6631 1 65 . ASN . 6631 1 66 . SER . 6631 1 67 . LEU . 6631 1 68 . ALA . 6631 1 69 . TYR . 6631 1 70 . TYR . 6631 1 71 . ASN . 6631 1 72 . MET . 6631 1 73 . ALA . 6631 1 74 . ASN . 6631 1 75 . GLY . 6631 1 76 . ALA . 6631 1 77 . VAL . 6631 1 78 . ILE . 6631 1 79 . HIS . 6631 1 80 . LEU . 6631 1 81 . ALA . 6631 1 82 . LEU . 6631 1 83 . LYS . 6631 1 84 . GLU . 6631 1 85 . ARG . 6631 1 86 . GLY . 6631 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 . PRO 1 1 6631 1 . VAL 2 2 6631 1 . SER 3 3 6631 1 . ILE 4 4 6631 1 . LYS 5 5 6631 1 . VAL 6 6 6631 1 . GLN 7 7 6631 1 . VAL 8 8 6631 1 . PRO 9 9 6631 1 . ASN 10 10 6631 1 . MET 11 11 6631 1 . GLN 12 12 6631 1 . ASP 13 13 6631 1 . LYS 14 14 6631 1 . THR 15 15 6631 1 . GLU 16 16 6631 1 . TRP 17 17 6631 1 . LYS 18 18 6631 1 . LEU 19 19 6631 1 . ASN 20 20 6631 1 . GLY 21 21 6631 1 . GLN 22 22 6631 1 . VAL 23 23 6631 1 . LEU 24 24 6631 1 . VAL 25 25 6631 1 . PHE 26 26 6631 1 . THR 27 27 6631 1 . LEU 28 28 6631 1 . PRO 29 29 6631 1 . LEU 30 30 6631 1 . THR 31 31 6631 1 . ASP 32 32 6631 1 . GLN 33 33 6631 1 . VAL 34 34 6631 1 . SER 35 35 6631 1 . VAL 36 36 6631 1 . ILE 37 37 6631 1 . LYS 38 38 6631 1 . VAL 39 39 6631 1 . LYS 40 40 6631 1 . ILE 41 41 6631 1 . HIS 42 42 6631 1 . GLU 43 43 6631 1 . ALA 44 44 6631 1 . THR 45 45 6631 1 . GLY 46 46 6631 1 . MET 47 47 6631 1 . PRO 48 48 6631 1 . ALA 49 49 6631 1 . GLY 50 50 6631 1 . LYS 51 51 6631 1 . GLN 52 52 6631 1 . LYS 53 53 6631 1 . LEU 54 54 6631 1 . GLN 55 55 6631 1 . TYR 56 56 6631 1 . GLU 57 57 6631 1 . GLY 58 58 6631 1 . ILE 59 59 6631 1 . PHE 60 60 6631 1 . ILE 61 61 6631 1 . LYS 62 62 6631 1 . ASP 63 63 6631 1 . SER 64 64 6631 1 . ASN 65 65 6631 1 . SER 66 66 6631 1 . LEU 67 67 6631 1 . ALA 68 68 6631 1 . TYR 69 69 6631 1 . TYR 70 70 6631 1 . ASN 71 71 6631 1 . MET 72 72 6631 1 . ALA 73 73 6631 1 . ASN 74 74 6631 1 . GLY 75 75 6631 1 . ALA 76 76 6631 1 . VAL 77 77 6631 1 . ILE 78 78 6631 1 . HIS 79 79 6631 1 . LEU 80 80 6631 1 . ALA 81 81 6631 1 . LEU 82 82 6631 1 . LYS 83 83 6631 1 . GLU 84 84 6631 1 . ARG 85 85 6631 1 . GLY 86 86 6631 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 6631 _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 $Splicing_factor_3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6631 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 6631 _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 $Splicing_factor_3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6631 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6631 _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 'Splicing factor 3' '[U-15N; U-13C]' . . 1 $Splicing_factor_3 . . 2 . . mM . . . . 6631 1 2 NaCl . . . . . . . 300 . . mM . . . . 6631 1 3 benzamidine . . . . . . . 1 . . mM . . . . 6631 1 4 DTT . . . . . . . 10 . . mM . . . . 6631 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 6631 1 6 'Sodium Acetate' . . . . . . . 10 . . mM . . . . 6631 1 7 ZnSO4 . . . . . . . 0.01 . . mM . . . . 6631 1 8 H2O . . . . . . . 90 . . % . . . . 6631 1 9 D2O . . . . . . . 10 . . % . . . . 6631 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6631 _Sample.ID 2 _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 'Splicing factor 3' '[U-15N; U-13C]' . . 1 $Splicing_factor_3 . . 2 . . mM . . . . 6631 2 2 NaCl . . . . . . . 300 . . mM . . . . 6631 2 3 benzamidine . . . . . . . 1 . . mM . . . . 6631 2 4 DTT . . . . . . . 10 . . mM . . . . 6631 2 5 NaN3 . . . . . . . 0.01 . . % . . . . 6631 2 6 'Sodium Acetate' . . . . . . . 10 . . mM . . . . 6631 2 7 ZnSO4 . . . . . . . 0.01 . . mM . . . . 6631 2 8 D2O . . . . . . . 99.9 . . % . . . . 6631 2 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 6631 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . n/a 6631 1 temperature 298 . K 6631 1 'ionic strength' 300 . mM 6631 1 pressure 1 . atm 6631 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6631 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.6 _Software.Details 'Bruker Biospin, Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6631 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6631 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6631 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6631 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details 'Guentert, P. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6631 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6631 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger, A. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6631 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 6631 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6631 _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 Bruker AVANCE . 600 . . . 6631 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 6631 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6631 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6631 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 6631 _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 6631 _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_ #################### # 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 6631 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6631 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6631 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6631 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 6631 _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 . 6631 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CD C 13 50.340 0.400 . 1 . . . . . . . . 6631 1 2 . 1 1 1 1 PRO CA C 13 62.792 0.400 . 1 . . . . . . . . 6631 1 3 . 1 1 1 1 PRO HA H 1 4.540 0.020 . 1 . . . . . . . . 6631 1 4 . 1 1 1 1 PRO CB C 13 32.481 0.400 . 1 . . . . . . . . 6631 1 5 . 1 1 1 1 PRO HB2 H 1 1.893 0.020 . 2 . . . . . . . . 6631 1 6 . 1 1 1 1 PRO HB3 H 1 1.620 0.020 . 2 . . . . . . . . 6631 1 7 . 1 1 1 1 PRO CG C 13 27.033 0.400 . 1 . . . . . . . . 6631 1 8 . 1 1 1 1 PRO HG2 H 1 1.894 0.020 . 2 . . . . . . . . 6631 1 9 . 1 1 1 1 PRO HG3 H 1 1.620 0.020 . 2 . . . . . . . . 6631 1 10 . 1 1 1 1 PRO HD2 H 1 3.644 0.020 . 2 . . . . . . . . 6631 1 11 . 1 1 1 1 PRO HD3 H 1 3.799 0.020 . 2 . . . . . . . . 6631 1 12 . 1 1 1 1 PRO C C 13 176.210 0.400 . 1 . . . . . . . . 6631 1 13 . 1 1 2 2 VAL N N 15 117.941 0.400 . 1 . . . . . . . . 6631 1 14 . 1 1 2 2 VAL H H 1 8.828 0.020 . 1 . . . . . . . . 6631 1 15 . 1 1 2 2 VAL CA C 13 59.390 0.400 . 1 . . . . . . . . 6631 1 16 . 1 1 2 2 VAL HA H 1 4.703 0.020 . 1 . . . . . . . . 6631 1 17 . 1 1 2 2 VAL CB C 13 35.215 0.400 . 1 . . . . . . . . 6631 1 18 . 1 1 2 2 VAL HB H 1 1.779 0.020 . 1 . . . . . . . . 6631 1 19 . 1 1 2 2 VAL HG11 H 1 0.829 0.020 . 2 . . . . . . . . 6631 1 20 . 1 1 2 2 VAL HG12 H 1 0.829 0.020 . 2 . . . . . . . . 6631 1 21 . 1 1 2 2 VAL HG13 H 1 0.829 0.020 . 2 . . . . . . . . 6631 1 22 . 1 1 2 2 VAL HG21 H 1 0.703 0.020 . 2 . . . . . . . . 6631 1 23 . 1 1 2 2 VAL HG22 H 1 0.703 0.020 . 2 . . . . . . . . 6631 1 24 . 1 1 2 2 VAL HG23 H 1 0.703 0.020 . 2 . . . . . . . . 6631 1 25 . 1 1 2 2 VAL CG1 C 13 21.247 0.400 . 1 . . . . . . . . 6631 1 26 . 1 1 2 2 VAL CG2 C 13 19.080 0.400 . 1 . . . . . . . . 6631 1 27 . 1 1 2 2 VAL C C 13 173.710 0.400 . 1 . . . . . . . . 6631 1 28 . 1 1 3 3 SER N N 15 118.222 0.400 . 1 . . . . . . . . 6631 1 29 . 1 1 3 3 SER H H 1 8.518 0.020 . 1 . . . . . . . . 6631 1 30 . 1 1 3 3 SER CA C 13 56.937 0.400 . 1 . . . . . . . . 6631 1 31 . 1 1 3 3 SER HA H 1 5.317 0.020 . 1 . . . . . . . . 6631 1 32 . 1 1 3 3 SER CB C 13 62.880 0.400 . 1 . . . . . . . . 6631 1 33 . 1 1 3 3 SER HB2 H 1 3.606 0.020 . 2 . . . . . . . . 6631 1 34 . 1 1 3 3 SER C C 13 173.820 0.400 . 1 . . . . . . . . 6631 1 35 . 1 1 4 4 ILE N N 15 123.166 0.400 . 1 . . . . . . . . 6631 1 36 . 1 1 4 4 ILE H H 1 9.097 0.020 . 1 . . . . . . . . 6631 1 37 . 1 1 4 4 ILE CA C 13 58.580 0.400 . 1 . . . . . . . . 6631 1 38 . 1 1 4 4 ILE HA H 1 4.730 0.020 . 1 . . . . . . . . 6631 1 39 . 1 1 4 4 ILE CB C 13 40.481 0.400 . 1 . . . . . . . . 6631 1 40 . 1 1 4 4 ILE HB H 1 1.800 0.020 . 1 . . . . . . . . 6631 1 41 . 1 1 4 4 ILE HG21 H 1 0.757 0.020 . 1 . . . . . . . . 6631 1 42 . 1 1 4 4 ILE HG22 H 1 0.757 0.020 . 1 . . . . . . . . 6631 1 43 . 1 1 4 4 ILE HG23 H 1 0.757 0.020 . 1 . . . . . . . . 6631 1 44 . 1 1 4 4 ILE CG2 C 13 18.605 0.400 . 1 . . . . . . . . 6631 1 45 . 1 1 4 4 ILE CG1 C 13 26.262 0.400 . 1 . . . . . . . . 6631 1 46 . 1 1 4 4 ILE HG12 H 1 1.152 0.020 . 2 . . . . . . . . 6631 1 47 . 1 1 4 4 ILE HG13 H 1 1.319 0.020 . 2 . . . . . . . . 6631 1 48 . 1 1 4 4 ILE HD11 H 1 0.709 0.020 . 1 . . . . . . . . 6631 1 49 . 1 1 4 4 ILE HD12 H 1 0.709 0.020 . 1 . . . . . . . . 6631 1 50 . 1 1 4 4 ILE HD13 H 1 0.709 0.020 . 1 . . . . . . . . 6631 1 51 . 1 1 4 4 ILE CD1 C 13 13.863 0.400 . 1 . . . . . . . . 6631 1 52 . 1 1 4 4 ILE C C 13 173.710 0.400 . 1 . . . . . . . . 6631 1 53 . 1 1 5 5 LYS N N 15 121.461 0.400 . 1 . . . . . . . . 6631 1 54 . 1 1 5 5 LYS H H 1 8.924 0.020 . 1 . . . . . . . . 6631 1 55 . 1 1 5 5 LYS CA C 13 53.959 0.400 . 1 . . . . . . . . 6631 1 56 . 1 1 5 5 LYS HA H 1 5.220 0.020 . 1 . . . . . . . . 6631 1 57 . 1 1 5 5 LYS CB C 13 35.178 0.400 . 1 . . . . . . . . 6631 1 58 . 1 1 5 5 LYS HB2 H 1 1.674 0.020 . 2 . . . . . . . . 6631 1 59 . 1 1 5 5 LYS HB3 H 1 1.401 0.020 . 2 . . . . . . . . 6631 1 60 . 1 1 5 5 LYS CG C 13 25.591 0.400 . 1 . . . . . . . . 6631 1 61 . 1 1 5 5 LYS HG2 H 1 1.124 0.020 . 2 . . . . . . . . 6631 1 62 . 1 1 5 5 LYS HG3 H 1 1.249 0.020 . 2 . . . . . . . . 6631 1 63 . 1 1 5 5 LYS CD C 13 29.070 0.400 . 1 . . . . . . . . 6631 1 64 . 1 1 5 5 LYS HD2 H 1 1.654 0.020 . 2 . . . . . . . . 6631 1 65 . 1 1 5 5 LYS CE C 13 42.155 0.400 . 1 . . . . . . . . 6631 1 66 . 1 1 5 5 LYS HE2 H 1 2.777 0.020 . 2 . . . . . . . . 6631 1 67 . 1 1 5 5 LYS C C 13 175.430 0.400 . 1 . . . . . . . . 6631 1 68 . 1 1 6 6 VAL N N 15 120.650 0.400 . 1 . . . . . . . . 6631 1 69 . 1 1 6 6 VAL H H 1 9.212 0.020 . 1 . . . . . . . . 6631 1 70 . 1 1 6 6 VAL CA C 13 59.730 0.400 . 1 . . . . . . . . 6631 1 71 . 1 1 6 6 VAL HA H 1 5.002 0.020 . 1 . . . . . . . . 6631 1 72 . 1 1 6 6 VAL CB C 13 34.413 0.400 . 1 . . . . . . . . 6631 1 73 . 1 1 6 6 VAL HB H 1 1.807 0.020 . 1 . . . . . . . . 6631 1 74 . 1 1 6 6 VAL HG11 H 1 0.708 0.020 . 2 . . . . . . . . 6631 1 75 . 1 1 6 6 VAL HG12 H 1 0.708 0.020 . 2 . . . . . . . . 6631 1 76 . 1 1 6 6 VAL HG13 H 1 0.708 0.020 . 2 . . . . . . . . 6631 1 77 . 1 1 6 6 VAL HG21 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 78 . 1 1 6 6 VAL HG22 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 79 . 1 1 6 6 VAL HG23 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 80 . 1 1 6 6 VAL CG1 C 13 20.585 0.400 . 1 . . . . . . . . 6631 1 81 . 1 1 6 6 VAL CG2 C 13 20.596 0.400 . 1 . . . . . . . . 6631 1 82 . 1 1 6 6 VAL C C 13 175.550 0.400 . 1 . . . . . . . . 6631 1 83 . 1 1 7 7 GLN N N 15 126.692 0.400 . 1 . . . . . . . . 6631 1 84 . 1 1 7 7 GLN H H 1 8.845 0.020 . 1 . . . . . . . . 6631 1 85 . 1 1 7 7 GLN CA C 13 54.402 0.400 . 1 . . . . . . . . 6631 1 86 . 1 1 7 7 GLN HA H 1 4.393 0.020 . 1 . . . . . . . . 6631 1 87 . 1 1 7 7 GLN CB C 13 28.811 0.400 . 1 . . . . . . . . 6631 1 88 . 1 1 7 7 GLN HB2 H 1 1.813 0.020 . 2 . . . . . . . . 6631 1 89 . 1 1 7 7 GLN HB3 H 1 1.630 0.020 . 2 . . . . . . . . 6631 1 90 . 1 1 7 7 GLN CG C 13 34.551 0.400 . 1 . . . . . . . . 6631 1 91 . 1 1 7 7 GLN HG2 H 1 2.236 0.020 . 2 . . . . . . . . 6631 1 92 . 1 1 7 7 GLN NE2 N 15 115.110 0.400 . 1 . . . . . . . . 6631 1 93 . 1 1 7 7 GLN HE21 H 1 7.495 0.020 . 2 . . . . . . . . 6631 1 94 . 1 1 7 7 GLN HE22 H 1 6.151 0.020 . 2 . . . . . . . . 6631 1 95 . 1 1 7 7 GLN C C 13 174.240 0.400 . 1 . . . . . . . . 6631 1 96 . 1 1 8 8 VAL N N 15 132.714 0.400 . 1 . . . . . . . . 6631 1 97 . 1 1 8 8 VAL H H 1 8.649 0.020 . 1 . . . . . . . . 6631 1 98 . 1 1 8 8 VAL CA C 13 60.492 0.400 . 1 . . . . . . . . 6631 1 99 . 1 1 8 8 VAL HA H 1 4.361 0.020 . 1 . . . . . . . . 6631 1 100 . 1 1 8 8 VAL CB C 13 32.642 0.400 . 1 . . . . . . . . 6631 1 101 . 1 1 8 8 VAL HB H 1 2.462 0.020 . 1 . . . . . . . . 6631 1 102 . 1 1 8 8 VAL HG11 H 1 1.378 0.020 . 2 . . . . . . . . 6631 1 103 . 1 1 8 8 VAL HG12 H 1 1.378 0.020 . 2 . . . . . . . . 6631 1 104 . 1 1 8 8 VAL HG13 H 1 1.378 0.020 . 2 . . . . . . . . 6631 1 105 . 1 1 8 8 VAL HG21 H 1 0.815 0.020 . 2 . . . . . . . . 6631 1 106 . 1 1 8 8 VAL HG22 H 1 0.815 0.020 . 2 . . . . . . . . 6631 1 107 . 1 1 8 8 VAL HG23 H 1 0.815 0.020 . 2 . . . . . . . . 6631 1 108 . 1 1 8 8 VAL CG1 C 13 22.217 0.400 . 1 . . . . . . . . 6631 1 109 . 1 1 8 8 VAL CG2 C 13 26.524 0.400 . 1 . . . . . . . . 6631 1 110 . 1 1 8 8 VAL C C 13 174.560 0.400 . 1 . . . . . . . . 6631 1 111 . 1 1 9 9 PRO CD C 13 50.185 0.400 . 1 . . . . . . . . 6631 1 112 . 1 1 9 9 PRO CA C 13 62.745 0.400 . 1 . . . . . . . . 6631 1 113 . 1 1 9 9 PRO HA H 1 4.658 0.020 . 1 . . . . . . . . 6631 1 114 . 1 1 9 9 PRO CB C 13 32.719 0.400 . 1 . . . . . . . . 6631 1 115 . 1 1 9 9 PRO HB2 H 1 1.810 0.020 . 2 . . . . . . . . 6631 1 116 . 1 1 9 9 PRO HB3 H 1 2.470 0.020 . 2 . . . . . . . . 6631 1 117 . 1 1 9 9 PRO CG C 13 27.448 0.400 . 1 . . . . . . . . 6631 1 118 . 1 1 9 9 PRO HG2 H 1 2.096 0.020 . 2 . . . . . . . . 6631 1 119 . 1 1 9 9 PRO HG3 H 1 1.820 0.020 . 2 . . . . . . . . 6631 1 120 . 1 1 9 9 PRO HD2 H 1 3.597 0.020 . 2 . . . . . . . . 6631 1 121 . 1 1 9 9 PRO HD3 H 1 3.993 0.020 . 2 . . . . . . . . 6631 1 122 . 1 1 9 9 PRO C C 13 175.210 0.400 . 1 . . . . . . . . 6631 1 123 . 1 1 10 10 ASN N N 15 119.412 0.400 . 1 . . . . . . . . 6631 1 124 . 1 1 10 10 ASN H H 1 8.818 0.020 . 1 . . . . . . . . 6631 1 125 . 1 1 10 10 ASN CA C 13 52.102 0.400 . 1 . . . . . . . . 6631 1 126 . 1 1 10 10 ASN HA H 1 4.657 0.020 . 1 . . . . . . . . 6631 1 127 . 1 1 10 10 ASN CB C 13 38.338 0.400 . 1 . . . . . . . . 6631 1 128 . 1 1 10 10 ASN HB2 H 1 2.305 0.020 . 2 . . . . . . . . 6631 1 129 . 1 1 10 10 ASN HB3 H 1 3.101 0.020 . 2 . . . . . . . . 6631 1 130 . 1 1 10 10 ASN ND2 N 15 110.850 0.400 . 1 . . . . . . . . 6631 1 131 . 1 1 10 10 ASN HD21 H 1 6.778 0.020 . 2 . . . . . . . . 6631 1 132 . 1 1 10 10 ASN HD22 H 1 7.513 0.020 . 2 . . . . . . . . 6631 1 133 . 1 1 10 10 ASN C C 13 174.790 0.400 . 1 . . . . . . . . 6631 1 134 . 1 1 11 11 MET N N 15 125.242 0.400 . 1 . . . . . . . . 6631 1 135 . 1 1 11 11 MET H H 1 8.331 0.020 . 1 . . . . . . . . 6631 1 136 . 1 1 11 11 MET CA C 13 54.150 0.400 . 1 . . . . . . . . 6631 1 137 . 1 1 11 11 MET HA H 1 4.775 0.020 . 1 . . . . . . . . 6631 1 138 . 1 1 11 11 MET CB C 13 33.997 0.400 . 1 . . . . . . . . 6631 1 139 . 1 1 11 11 MET HB2 H 1 1.984 0.020 . 2 . . . . . . . . 6631 1 140 . 1 1 11 11 MET HB3 H 1 2.305 0.020 . 2 . . . . . . . . 6631 1 141 . 1 1 11 11 MET CG C 13 32.637 0.400 . 1 . . . . . . . . 6631 1 142 . 1 1 11 11 MET HG2 H 1 2.428 0.020 . 2 . . . . . . . . 6631 1 143 . 1 1 11 11 MET HG3 H 1 2.588 0.020 . 2 . . . . . . . . 6631 1 144 . 1 1 11 11 MET HE1 H 1 2.168 0.020 . 1 . . . . . . . . 6631 1 145 . 1 1 11 11 MET HE2 H 1 2.168 0.020 . 1 . . . . . . . . 6631 1 146 . 1 1 11 11 MET HE3 H 1 2.168 0.020 . 1 . . . . . . . . 6631 1 147 . 1 1 11 11 MET CE C 13 17.234 0.400 . 1 . . . . . . . . 6631 1 148 . 1 1 11 11 MET C C 13 176.410 0.400 . 1 . . . . . . . . 6631 1 149 . 1 1 12 12 GLN N N 15 123.780 0.400 . 1 . . . . . . . . 6631 1 150 . 1 1 12 12 GLN H H 1 8.925 0.020 . 1 . . . . . . . . 6631 1 151 . 1 1 12 12 GLN CA C 13 58.103 0.400 . 1 . . . . . . . . 6631 1 152 . 1 1 12 12 GLN HA H 1 4.067 0.020 . 1 . . . . . . . . 6631 1 153 . 1 1 12 12 GLN CB C 13 28.266 0.400 . 1 . . . . . . . . 6631 1 154 . 1 1 12 12 GLN HB2 H 1 2.017 0.020 . 2 . . . . . . . . 6631 1 155 . 1 1 12 12 GLN HB3 H 1 2.128 0.020 . 2 . . . . . . . . 6631 1 156 . 1 1 12 12 GLN CG C 13 34.056 0.400 . 1 . . . . . . . . 6631 1 157 . 1 1 12 12 GLN HG3 H 1 2.454 0.020 . 2 . . . . . . . . 6631 1 158 . 1 1 12 12 GLN NE2 N 15 113.554 0.400 . 1 . . . . . . . . 6631 1 159 . 1 1 12 12 GLN HE21 H 1 7.044 0.020 . 2 . . . . . . . . 6631 1 160 . 1 1 12 12 GLN HE22 H 1 7.613 0.020 . 2 . . . . . . . . 6631 1 161 . 1 1 12 12 GLN C C 13 176.100 0.400 . 1 . . . . . . . . 6631 1 162 . 1 1 13 13 ASP N N 15 116.211 0.400 . 1 . . . . . . . . 6631 1 163 . 1 1 13 13 ASP H H 1 9.051 0.020 . 1 . . . . . . . . 6631 1 164 . 1 1 13 13 ASP CA C 13 54.822 0.400 . 1 . . . . . . . . 6631 1 165 . 1 1 13 13 ASP HA H 1 4.463 0.020 . 1 . . . . . . . . 6631 1 166 . 1 1 13 13 ASP CB C 13 39.734 0.400 . 1 . . . . . . . . 6631 1 167 . 1 1 13 13 ASP HB2 H 1 2.726 0.020 . 2 . . . . . . . . 6631 1 168 . 1 1 13 13 ASP C C 13 176.550 0.400 . 1 . . . . . . . . 6631 1 169 . 1 1 14 14 LYS N N 15 120.113 0.400 . 1 . . . . . . . . 6631 1 170 . 1 1 14 14 LYS H H 1 7.505 0.020 . 1 . . . . . . . . 6631 1 171 . 1 1 14 14 LYS CA C 13 54.002 0.400 . 1 . . . . . . . . 6631 1 172 . 1 1 14 14 LYS HA H 1 4.483 0.020 . 1 . . . . . . . . 6631 1 173 . 1 1 14 14 LYS CB C 13 30.799 0.400 . 1 . . . . . . . . 6631 1 174 . 1 1 14 14 LYS HB2 H 1 1.900 0.020 . 2 . . . . . . . . 6631 1 175 . 1 1 14 14 LYS HB3 H 1 1.666 0.020 . 2 . . . . . . . . 6631 1 176 . 1 1 14 14 LYS CG C 13 24.149 0.400 . 1 . . . . . . . . 6631 1 177 . 1 1 14 14 LYS HG2 H 1 1.366 0.020 . 2 . . . . . . . . 6631 1 178 . 1 1 14 14 LYS CD C 13 28.151 0.400 . 1 . . . . . . . . 6631 1 179 . 1 1 14 14 LYS HD3 H 1 1.462 0.020 . 2 . . . . . . . . 6631 1 180 . 1 1 14 14 LYS CE C 13 42.149 0.400 . 1 . . . . . . . . 6631 1 181 . 1 1 14 14 LYS HE2 H 1 2.742 0.020 . 2 . . . . . . . . 6631 1 182 . 1 1 14 14 LYS C C 13 176.870 0.400 . 1 . . . . . . . . 6631 1 183 . 1 1 15 15 THR N N 15 112.275 0.400 . 1 . . . . . . . . 6631 1 184 . 1 1 15 15 THR H H 1 7.620 0.020 . 1 . . . . . . . . 6631 1 185 . 1 1 15 15 THR CA C 13 62.894 0.400 . 1 . . . . . . . . 6631 1 186 . 1 1 15 15 THR HA H 1 4.168 0.020 . 1 . . . . . . . . 6631 1 187 . 1 1 15 15 THR CB C 13 69.566 0.400 . 1 . . . . . . . . 6631 1 188 . 1 1 15 15 THR HB H 1 4.141 0.020 . 1 . . . . . . . . 6631 1 189 . 1 1 15 15 THR HG21 H 1 1.230 0.020 . 1 . . . . . . . . 6631 1 190 . 1 1 15 15 THR HG22 H 1 1.230 0.020 . 1 . . . . . . . . 6631 1 191 . 1 1 15 15 THR HG23 H 1 1.230 0.020 . 1 . . . . . . . . 6631 1 192 . 1 1 15 15 THR CG2 C 13 21.091 0.400 . 1 . . . . . . . . 6631 1 193 . 1 1 16 16 GLU N N 15 119.730 0.400 . 1 . . . . . . . . 6631 1 194 . 1 1 16 16 GLU H H 1 8.824 0.020 . 1 . . . . . . . . 6631 1 195 . 1 1 16 16 GLU CA C 13 56.987 0.400 . 1 . . . . . . . . 6631 1 196 . 1 1 16 16 GLU HA H 1 4.165 0.020 . 1 . . . . . . . . 6631 1 197 . 1 1 16 16 GLU CB C 13 29.093 0.400 . 1 . . . . . . . . 6631 1 198 . 1 1 16 16 GLU HB2 H 1 1.757 0.020 . 2 . . . . . . . . 6631 1 199 . 1 1 16 16 GLU HB3 H 1 1.407 0.020 . 2 . . . . . . . . 6631 1 200 . 1 1 16 16 GLU CG C 13 35.475 0.400 . 1 . . . . . . . . 6631 1 201 . 1 1 16 16 GLU HG2 H 1 1.770 0.020 . 2 . . . . . . . . 6631 1 202 . 1 1 16 16 GLU HG3 H 1 1.552 0.020 . 2 . . . . . . . . 6631 1 203 . 1 1 16 16 GLU C C 13 175.880 0.400 . 1 . . . . . . . . 6631 1 204 . 1 1 17 17 TRP N N 15 120.468 0.400 . 1 . . . . . . . . 6631 1 205 . 1 1 17 17 TRP H H 1 7.819 0.020 . 1 . . . . . . . . 6631 1 206 . 1 1 17 17 TRP CA C 13 53.391 0.400 . 1 . . . . . . . . 6631 1 207 . 1 1 17 17 TRP HA H 1 5.432 0.020 . 1 . . . . . . . . 6631 1 208 . 1 1 17 17 TRP CB C 13 31.510 0.400 . 1 . . . . . . . . 6631 1 209 . 1 1 17 17 TRP HB3 H 1 3.083 0.020 . 2 . . . . . . . . 6631 1 210 . 1 1 17 17 TRP CD1 C 13 125.670 0.400 . 1 . . . . . . . . 6631 1 211 . 1 1 17 17 TRP NE1 N 15 130.593 0.400 . 1 . . . . . . . . 6631 1 212 . 1 1 17 17 TRP HD1 H 1 7.012 0.020 . 1 . . . . . . . . 6631 1 213 . 1 1 17 17 TRP CZ3 C 13 120.490 0.400 . 1 . . . . . . . . 6631 1 214 . 1 1 17 17 TRP CZ2 C 13 114.630 0.400 . 1 . . . . . . . . 6631 1 215 . 1 1 17 17 TRP HE1 H 1 10.476 0.020 . 1 . . . . . . . . 6631 1 216 . 1 1 17 17 TRP HZ3 H 1 7.026 0.020 . 1 . . . . . . . . 6631 1 217 . 1 1 17 17 TRP CH2 C 13 123.940 0.400 . 1 . . . . . . . . 6631 1 218 . 1 1 17 17 TRP HZ2 H 1 7.470 0.020 . 1 . . . . . . . . 6631 1 219 . 1 1 17 17 TRP HH2 H 1 7.192 0.020 . 1 . . . . . . . . 6631 1 220 . 1 1 17 17 TRP C C 13 175.150 0.400 . 1 . . . . . . . . 6631 1 221 . 1 1 18 18 LYS N N 15 121.470 0.400 . 1 . . . . . . . . 6631 1 222 . 1 1 18 18 LYS H H 1 8.963 0.020 . 1 . . . . . . . . 6631 1 223 . 1 1 18 18 LYS CA C 13 54.490 0.400 . 1 . . . . . . . . 6631 1 224 . 1 1 18 18 LYS HA H 1 4.580 0.020 . 1 . . . . . . . . 6631 1 225 . 1 1 18 18 LYS CB C 13 30.879 0.400 . 1 . . . . . . . . 6631 1 226 . 1 1 18 18 LYS HB2 H 1 1.883 0.020 . 2 . . . . . . . . 6631 1 227 . 1 1 18 18 LYS HB3 H 1 1.726 0.020 . 2 . . . . . . . . 6631 1 228 . 1 1 18 18 LYS CG C 13 24.475 0.400 . 1 . . . . . . . . 6631 1 229 . 1 1 18 18 LYS HG2 H 1 1.400 0.020 . 2 . . . . . . . . 6631 1 230 . 1 1 18 18 LYS HG3 H 1 1.487 0.020 . 2 . . . . . . . . 6631 1 231 . 1 1 18 18 LYS CD C 13 29.423 0.400 . 1 . . . . . . . . 6631 1 232 . 1 1 18 18 LYS HD2 H 1 1.719 0.020 . 2 . . . . . . . . 6631 1 233 . 1 1 18 18 LYS HD3 H 1 1.483 0.020 . 2 . . . . . . . . 6631 1 234 . 1 1 18 18 LYS CE C 13 42.273 0.400 . 1 . . . . . . . . 6631 1 235 . 1 1 18 18 LYS HE2 H 1 2.989 0.020 . 2 . . . . . . . . 6631 1 236 . 1 1 18 18 LYS C C 13 174.970 0.400 . 1 . . . . . . . . 6631 1 237 . 1 1 19 19 LEU N N 15 123.538 0.400 . 1 . . . . . . . . 6631 1 238 . 1 1 19 19 LEU H H 1 8.102 0.020 . 1 . . . . . . . . 6631 1 239 . 1 1 19 19 LEU CA C 13 52.870 0.400 . 1 . . . . . . . . 6631 1 240 . 1 1 19 19 LEU HA H 1 4.780 0.020 . 1 . . . . . . . . 6631 1 241 . 1 1 19 19 LEU CB C 13 39.129 0.400 . 1 . . . . . . . . 6631 1 242 . 1 1 19 19 LEU HB2 H 1 2.210 0.020 . 2 . . . . . . . . 6631 1 243 . 1 1 19 19 LEU HB3 H 1 1.374 0.020 . 2 . . . . . . . . 6631 1 244 . 1 1 19 19 LEU CG C 13 27.037 0.400 . 1 . . . . . . . . 6631 1 245 . 1 1 19 19 LEU HG H 1 1.866 0.020 . 1 . . . . . . . . 6631 1 246 . 1 1 19 19 LEU HD11 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 247 . 1 1 19 19 LEU HD12 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 248 . 1 1 19 19 LEU HD13 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 249 . 1 1 19 19 LEU HD21 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 250 . 1 1 19 19 LEU HD22 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 251 . 1 1 19 19 LEU HD23 H 1 0.855 0.020 . 1 . . . . . . . . 6631 1 252 . 1 1 19 19 LEU CD1 C 13 23.098 0.400 . 1 . . . . . . . . 6631 1 253 . 1 1 19 19 LEU CD2 C 13 24.446 0.400 . 1 . . . . . . . . 6631 1 254 . 1 1 19 19 LEU C C 13 175.920 0.400 . 1 . . . . . . . . 6631 1 255 . 1 1 20 20 ASN N N 15 120.710 0.400 . 1 . . . . . . . . 6631 1 256 . 1 1 20 20 ASN H H 1 8.405 0.020 . 1 . . . . . . . . 6631 1 257 . 1 1 20 20 ASN CA C 13 51.993 0.400 . 1 . . . . . . . . 6631 1 258 . 1 1 20 20 ASN HA H 1 5.262 0.020 . 1 . . . . . . . . 6631 1 259 . 1 1 20 20 ASN CB C 13 40.220 0.400 . 1 . . . . . . . . 6631 1 260 . 1 1 20 20 ASN HB2 H 1 3.049 0.020 . 2 . . . . . . . . 6631 1 261 . 1 1 20 20 ASN HB3 H 1 2.428 0.020 . 2 . . . . . . . . 6631 1 262 . 1 1 20 20 ASN ND2 N 15 111.383 0.400 . 1 . . . . . . . . 6631 1 263 . 1 1 20 20 ASN HD21 H 1 7.465 0.020 . 2 . . . . . . . . 6631 1 264 . 1 1 20 20 ASN HD22 H 1 6.971 0.020 . 2 . . . . . . . . 6631 1 265 . 1 1 20 20 ASN C C 13 176.620 0.400 . 1 . . . . . . . . 6631 1 266 . 1 1 21 21 GLY N N 15 108.620 0.400 . 1 . . . . . . . . 6631 1 267 . 1 1 21 21 GLY H H 1 7.849 0.020 . 1 . . . . . . . . 6631 1 268 . 1 1 21 21 GLY CA C 13 46.010 0.400 . 1 . . . . . . . . 6631 1 269 . 1 1 21 21 GLY HA2 H 1 3.884 0.020 . 2 . . . . . . . . 6631 1 270 . 1 1 21 21 GLY HA3 H 1 3.994 0.020 . 2 . . . . . . . . 6631 1 271 . 1 1 21 21 GLY C C 13 173.940 0.400 . 1 . . . . . . . . 6631 1 272 . 1 1 22 22 GLN N N 15 124.237 0.400 . 1 . . . . . . . . 6631 1 273 . 1 1 22 22 GLN H H 1 10.160 0.020 . 1 . . . . . . . . 6631 1 274 . 1 1 22 22 GLN CA C 13 55.281 0.400 . 1 . . . . . . . . 6631 1 275 . 1 1 22 22 GLN HA H 1 4.330 0.020 . 1 . . . . . . . . 6631 1 276 . 1 1 22 22 GLN CB C 13 28.543 0.400 . 1 . . . . . . . . 6631 1 277 . 1 1 22 22 GLN HB2 H 1 2.028 0.020 . 2 . . . . . . . . 6631 1 278 . 1 1 22 22 GLN CG C 13 32.595 0.400 . 1 . . . . . . . . 6631 1 279 . 1 1 22 22 GLN HG2 H 1 2.031 0.020 . 2 . . . . . . . . 6631 1 280 . 1 1 22 22 GLN HG3 H 1 2.478 0.020 . 2 . . . . . . . . 6631 1 281 . 1 1 22 22 GLN NE2 N 15 110.507 0.400 . 1 . . . . . . . . 6631 1 282 . 1 1 22 22 GLN HE21 H 1 7.585 0.020 . 2 . . . . . . . . 6631 1 283 . 1 1 22 22 GLN HE22 H 1 7.795 0.020 . 2 . . . . . . . . 6631 1 284 . 1 1 22 22 GLN C C 13 172.600 0.400 . 1 . . . . . . . . 6631 1 285 . 1 1 23 23 VAL N N 15 119.067 0.400 . 1 . . . . . . . . 6631 1 286 . 1 1 23 23 VAL H H 1 8.157 0.020 . 1 . . . . . . . . 6631 1 287 . 1 1 23 23 VAL CA C 13 60.920 0.400 . 1 . . . . . . . . 6631 1 288 . 1 1 23 23 VAL HA H 1 4.797 0.020 . 1 . . . . . . . . 6631 1 289 . 1 1 23 23 VAL CB C 13 32.763 0.400 . 1 . . . . . . . . 6631 1 290 . 1 1 23 23 VAL HB H 1 1.799 0.020 . 1 . . . . . . . . 6631 1 291 . 1 1 23 23 VAL HG11 H 1 0.845 0.020 . 2 . . . . . . . . 6631 1 292 . 1 1 23 23 VAL HG12 H 1 0.845 0.020 . 2 . . . . . . . . 6631 1 293 . 1 1 23 23 VAL HG13 H 1 0.845 0.020 . 2 . . . . . . . . 6631 1 294 . 1 1 23 23 VAL HG21 H 1 0.649 0.020 . 2 . . . . . . . . 6631 1 295 . 1 1 23 23 VAL HG22 H 1 0.649 0.020 . 2 . . . . . . . . 6631 1 296 . 1 1 23 23 VAL HG23 H 1 0.649 0.020 . 2 . . . . . . . . 6631 1 297 . 1 1 23 23 VAL CG1 C 13 21.283 0.400 . 1 . . . . . . . . 6631 1 298 . 1 1 23 23 VAL C C 13 176.970 0.400 . 1 . . . . . . . . 6631 1 299 . 1 1 24 24 LEU N N 15 128.520 0.400 . 1 . . . . . . . . 6631 1 300 . 1 1 24 24 LEU H H 1 8.918 0.020 . 1 . . . . . . . . 6631 1 301 . 1 1 24 24 LEU CA C 13 52.743 0.400 . 1 . . . . . . . . 6631 1 302 . 1 1 24 24 LEU HA H 1 4.402 0.020 . 1 . . . . . . . . 6631 1 303 . 1 1 24 24 LEU CB C 13 43.601 0.400 . 1 . . . . . . . . 6631 1 304 . 1 1 24 24 LEU HB2 H 1 1.315 0.020 . 2 . . . . . . . . 6631 1 305 . 1 1 24 24 LEU HB3 H 1 0.969 0.020 . 2 . . . . . . . . 6631 1 306 . 1 1 24 24 LEU CG C 13 26.662 0.400 . 1 . . . . . . . . 6631 1 307 . 1 1 24 24 LEU HG H 1 1.517 0.020 . 1 . . . . . . . . 6631 1 308 . 1 1 24 24 LEU HD21 H 1 0.848 0.020 . 2 . . . . . . . . 6631 1 309 . 1 1 24 24 LEU HD22 H 1 0.848 0.020 . 2 . . . . . . . . 6631 1 310 . 1 1 24 24 LEU HD23 H 1 0.848 0.020 . 2 . . . . . . . . 6631 1 311 . 1 1 24 24 LEU CD2 C 13 22.686 0.400 . 1 . . . . . . . . 6631 1 312 . 1 1 24 24 LEU C C 13 175.090 0.400 . 1 . . . . . . . . 6631 1 313 . 1 1 25 25 VAL N N 15 120.020 0.400 . 1 . . . . . . . . 6631 1 314 . 1 1 25 25 VAL H H 1 7.876 0.020 . 1 . . . . . . . . 6631 1 315 . 1 1 25 25 VAL CA C 13 60.800 0.400 . 1 . . . . . . . . 6631 1 316 . 1 1 25 25 VAL HA H 1 4.777 0.020 . 1 . . . . . . . . 6631 1 317 . 1 1 25 25 VAL CB C 13 33.423 0.400 . 1 . . . . . . . . 6631 1 318 . 1 1 25 25 VAL HB H 1 1.735 0.020 . 1 . . . . . . . . 6631 1 319 . 1 1 25 25 VAL HG11 H 1 0.709 0.020 . 2 . . . . . . . . 6631 1 320 . 1 1 25 25 VAL HG12 H 1 0.709 0.020 . 2 . . . . . . . . 6631 1 321 . 1 1 25 25 VAL HG13 H 1 0.709 0.020 . 2 . . . . . . . . 6631 1 322 . 1 1 25 25 VAL HG21 H 1 0.667 0.020 . 2 . . . . . . . . 6631 1 323 . 1 1 25 25 VAL HG22 H 1 0.667 0.020 . 2 . . . . . . . . 6631 1 324 . 1 1 25 25 VAL HG23 H 1 0.667 0.020 . 2 . . . . . . . . 6631 1 325 . 1 1 25 25 VAL CG1 C 13 20.571 0.400 . 1 . . . . . . . . 6631 1 326 . 1 1 25 25 VAL CG2 C 13 21.388 0.400 . 1 . . . . . . . . 6631 1 327 . 1 1 25 25 VAL C C 13 175.430 0.400 . 1 . . . . . . . . 6631 1 328 . 1 1 26 26 PHE N N 15 124.642 0.400 . 1 . . . . . . . . 6631 1 329 . 1 1 26 26 PHE H H 1 8.674 0.020 . 1 . . . . . . . . 6631 1 330 . 1 1 26 26 PHE CA C 13 54.400 0.400 . 1 . . . . . . . . 6631 1 331 . 1 1 26 26 PHE HA H 1 5.241 0.020 . 1 . . . . . . . . 6631 1 332 . 1 1 26 26 PHE CB C 13 42.323 0.400 . 1 . . . . . . . . 6631 1 333 . 1 1 26 26 PHE HB2 H 1 2.519 0.020 . 2 . . . . . . . . 6631 1 334 . 1 1 26 26 PHE HB3 H 1 3.141 0.020 . 2 . . . . . . . . 6631 1 335 . 1 1 26 26 PHE CD1 C 13 131.120 0.400 . 1 . . . . . . . . 6631 1 336 . 1 1 26 26 PHE HD1 H 1 7.068 0.020 . 1 . . . . . . . . 6631 1 337 . 1 1 26 26 PHE CE1 C 13 129.310 0.400 . 1 . . . . . . . . 6631 1 338 . 1 1 26 26 PHE HE1 H 1 6.818 0.020 . 1 . . . . . . . . 6631 1 339 . 1 1 26 26 PHE HE2 H 1 6.818 0.020 . 1 . . . . . . . . 6631 1 340 . 1 1 26 26 PHE HD2 H 1 7.068 0.020 . 1 . . . . . . . . 6631 1 341 . 1 1 26 26 PHE C C 13 174.100 0.400 . 1 . . . . . . . . 6631 1 342 . 1 1 27 27 THR N N 15 118.014 0.400 . 1 . . . . . . . . 6631 1 343 . 1 1 27 27 THR H H 1 8.633 0.020 . 1 . . . . . . . . 6631 1 344 . 1 1 27 27 THR CA C 13 61.218 0.400 . 1 . . . . . . . . 6631 1 345 . 1 1 27 27 THR HA H 1 5.419 0.020 . 1 . . . . . . . . 6631 1 346 . 1 1 27 27 THR CB C 13 69.940 0.400 . 1 . . . . . . . . 6631 1 347 . 1 1 27 27 THR HB H 1 3.879 0.020 . 1 . . . . . . . . 6631 1 348 . 1 1 27 27 THR HG21 H 1 0.990 0.020 . 1 . . . . . . . . 6631 1 349 . 1 1 27 27 THR HG22 H 1 0.990 0.020 . 1 . . . . . . . . 6631 1 350 . 1 1 27 27 THR HG23 H 1 0.990 0.020 . 1 . . . . . . . . 6631 1 351 . 1 1 27 27 THR CG2 C 13 21.604 0.400 . 1 . . . . . . . . 6631 1 352 . 1 1 27 27 THR C C 13 174.190 0.400 . 1 . . . . . . . . 6631 1 353 . 1 1 28 28 LEU N N 15 128.007 0.400 . 1 . . . . . . . . 6631 1 354 . 1 1 28 28 LEU H H 1 8.982 0.020 . 1 . . . . . . . . 6631 1 355 . 1 1 28 28 LEU CA C 13 52.685 0.400 . 1 . . . . . . . . 6631 1 356 . 1 1 28 28 LEU HA H 1 4.952 0.020 . 1 . . . . . . . . 6631 1 357 . 1 1 28 28 LEU CB C 13 44.460 0.400 . 1 . . . . . . . . 6631 1 358 . 1 1 28 28 LEU HB2 H 1 1.619 0.020 . 2 . . . . . . . . 6631 1 359 . 1 1 28 28 LEU CG C 13 26.999 0.400 . 1 . . . . . . . . 6631 1 360 . 1 1 28 28 LEU HG H 1 1.497 0.020 . 1 . . . . . . . . 6631 1 361 . 1 1 28 28 LEU HD11 H 1 0.839 0.020 . 2 . . . . . . . . 6631 1 362 . 1 1 28 28 LEU HD12 H 1 0.839 0.020 . 2 . . . . . . . . 6631 1 363 . 1 1 28 28 LEU HD13 H 1 0.839 0.020 . 2 . . . . . . . . 6631 1 364 . 1 1 28 28 LEU HD21 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 365 . 1 1 28 28 LEU HD22 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 366 . 1 1 28 28 LEU HD23 H 1 0.707 0.020 . 2 . . . . . . . . 6631 1 367 . 1 1 28 28 LEU CD1 C 13 23.770 0.400 . 1 . . . . . . . . 6631 1 368 . 1 1 28 28 LEU CD2 C 13 26.889 0.400 . 1 . . . . . . . . 6631 1 369 . 1 1 28 28 LEU C C 13 172.870 0.400 . 1 . . . . . . . . 6631 1 370 . 1 1 29 29 PRO CD C 13 50.219 0.400 . 1 . . . . . . . . 6631 1 371 . 1 1 29 29 PRO CA C 13 62.455 0.400 . 1 . . . . . . . . 6631 1 372 . 1 1 29 29 PRO HA H 1 4.383 0.020 . 1 . . . . . . . . 6631 1 373 . 1 1 29 29 PRO CB C 13 32.708 0.400 . 1 . . . . . . . . 6631 1 374 . 1 1 29 29 PRO HB2 H 1 2.204 0.020 . 2 . . . . . . . . 6631 1 375 . 1 1 29 29 PRO HB3 H 1 1.798 0.020 . 2 . . . . . . . . 6631 1 376 . 1 1 29 29 PRO CG C 13 27.466 0.400 . 1 . . . . . . . . 6631 1 377 . 1 1 29 29 PRO HG2 H 1 2.002 0.020 . 2 . . . . . . . . 6631 1 378 . 1 1 29 29 PRO HD2 H 1 3.867 0.020 . 2 . . . . . . . . 6631 1 379 . 1 1 29 29 PRO HD3 H 1 3.644 0.020 . 2 . . . . . . . . 6631 1 380 . 1 1 29 29 PRO C C 13 177.990 0.400 . 1 . . . . . . . . 6631 1 381 . 1 1 30 30 LEU N N 15 121.835 0.400 . 1 . . . . . . . . 6631 1 382 . 1 1 30 30 LEU H H 1 8.648 0.020 . 1 . . . . . . . . 6631 1 383 . 1 1 30 30 LEU CA C 13 57.114 0.400 . 1 . . . . . . . . 6631 1 384 . 1 1 30 30 LEU HA H 1 4.016 0.020 . 1 . . . . . . . . 6631 1 385 . 1 1 30 30 LEU CB C 13 43.279 0.400 . 1 . . . . . . . . 6631 1 386 . 1 1 30 30 LEU HB2 H 1 1.452 0.020 . 2 . . . . . . . . 6631 1 387 . 1 1 30 30 LEU HB3 H 1 1.796 0.020 . 2 . . . . . . . . 6631 1 388 . 1 1 30 30 LEU CG C 13 24.965 0.400 . 1 . . . . . . . . 6631 1 389 . 1 1 30 30 LEU HG H 1 1.445 0.020 . 1 . . . . . . . . 6631 1 390 . 1 1 30 30 LEU HD11 H 1 0.855 0.020 . 2 . . . . . . . . 6631 1 391 . 1 1 30 30 LEU HD12 H 1 0.855 0.020 . 2 . . . . . . . . 6631 1 392 . 1 1 30 30 LEU HD13 H 1 0.855 0.020 . 2 . . . . . . . . 6631 1 393 . 1 1 30 30 LEU HD21 H 1 0.741 0.020 . 2 . . . . . . . . 6631 1 394 . 1 1 30 30 LEU HD22 H 1 0.741 0.020 . 2 . . . . . . . . 6631 1 395 . 1 1 30 30 LEU HD23 H 1 0.741 0.020 . 2 . . . . . . . . 6631 1 396 . 1 1 30 30 LEU CD1 C 13 24.700 0.400 . 1 . . . . . . . . 6631 1 397 . 1 1 30 30 LEU CD2 C 13 24.333 0.400 . 1 . . . . . . . . 6631 1 398 . 1 1 30 30 LEU C C 13 176.190 0.400 . 1 . . . . . . . . 6631 1 399 . 1 1 31 31 THR N N 15 100.336 0.400 . 1 . . . . . . . . 6631 1 400 . 1 1 31 31 THR H H 1 6.993 0.020 . 1 . . . . . . . . 6631 1 401 . 1 1 31 31 THR CA C 13 61.165 0.400 . 1 . . . . . . . . 6631 1 402 . 1 1 31 31 THR HA H 1 4.105 0.020 . 1 . . . . . . . . 6631 1 403 . 1 1 31 31 THR CB C 13 69.094 0.400 . 1 . . . . . . . . 6631 1 404 . 1 1 31 31 THR HB H 1 4.468 0.020 . 1 . . . . . . . . 6631 1 405 . 1 1 31 31 THR HG21 H 1 1.200 0.020 . 1 . . . . . . . . 6631 1 406 . 1 1 31 31 THR HG22 H 1 1.200 0.020 . 1 . . . . . . . . 6631 1 407 . 1 1 31 31 THR HG23 H 1 1.200 0.020 . 1 . . . . . . . . 6631 1 408 . 1 1 31 31 THR CG2 C 13 22.122 0.400 . 1 . . . . . . . . 6631 1 409 . 1 1 31 31 THR C C 13 176.190 0.400 . 1 . . . . . . . . 6631 1 410 . 1 1 32 32 ASP N N 15 124.768 0.400 . 1 . . . . . . . . 6631 1 411 . 1 1 32 32 ASP H H 1 7.651 0.020 . 1 . . . . . . . . 6631 1 412 . 1 1 32 32 ASP CA C 13 55.154 0.400 . 1 . . . . . . . . 6631 1 413 . 1 1 32 32 ASP HA H 1 4.546 0.020 . 1 . . . . . . . . 6631 1 414 . 1 1 32 32 ASP CB C 13 40.372 0.400 . 1 . . . . . . . . 6631 1 415 . 1 1 32 32 ASP HB2 H 1 2.493 0.020 . 2 . . . . . . . . 6631 1 416 . 1 1 32 32 ASP HB3 H 1 2.886 0.020 . 2 . . . . . . . . 6631 1 417 . 1 1 32 32 ASP C C 13 175.380 0.400 . 1 . . . . . . . . 6631 1 418 . 1 1 33 33 GLN N N 15 115.353 0.400 . 1 . . . . . . . . 6631 1 419 . 1 1 33 33 GLN H H 1 7.873 0.020 . 1 . . . . . . . . 6631 1 420 . 1 1 33 33 GLN CA C 13 55.494 0.400 . 1 . . . . . . . . 6631 1 421 . 1 1 33 33 GLN HA H 1 4.430 0.020 . 1 . . . . . . . . 6631 1 422 . 1 1 33 33 GLN CB C 13 29.918 0.400 . 1 . . . . . . . . 6631 1 423 . 1 1 33 33 GLN HB2 H 1 1.881 0.020 . 2 . . . . . . . . 6631 1 424 . 1 1 33 33 GLN HB3 H 1 2.551 0.020 . 2 . . . . . . . . 6631 1 425 . 1 1 33 33 GLN CG C 13 35.027 0.400 . 1 . . . . . . . . 6631 1 426 . 1 1 33 33 GLN HG2 H 1 2.141 0.020 . 2 . . . . . . . . 6631 1 427 . 1 1 33 33 GLN HG3 H 1 2.412 0.020 . 2 . . . . . . . . 6631 1 428 . 1 1 33 33 GLN NE2 N 15 111.557 0.400 . 1 . . . . . . . . 6631 1 429 . 1 1 33 33 GLN HE21 H 1 7.430 0.020 . 2 . . . . . . . . 6631 1 430 . 1 1 33 33 GLN HE22 H 1 6.759 0.020 . 2 . . . . . . . . 6631 1 431 . 1 1 33 33 GLN C C 13 177.370 0.400 . 1 . . . . . . . . 6631 1 432 . 1 1 34 34 VAL N N 15 122.811 0.400 . 1 . . . . . . . . 6631 1 433 . 1 1 34 34 VAL H H 1 8.794 0.020 . 1 . . . . . . . . 6631 1 434 . 1 1 34 34 VAL CA C 13 66.116 0.400 . 1 . . . . . . . . 6631 1 435 . 1 1 34 34 VAL HA H 1 3.384 0.020 . 1 . . . . . . . . 6631 1 436 . 1 1 34 34 VAL CB C 13 31.220 0.400 . 1 . . . . . . . . 6631 1 437 . 1 1 34 34 VAL HB H 1 2.521 0.020 . 1 . . . . . . . . 6631 1 438 . 1 1 34 34 VAL HG11 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 439 . 1 1 34 34 VAL HG12 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 440 . 1 1 34 34 VAL HG13 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 441 . 1 1 34 34 VAL HG21 H 1 0.982 0.020 . 2 . . . . . . . . 6631 1 442 . 1 1 34 34 VAL HG22 H 1 0.982 0.020 . 2 . . . . . . . . 6631 1 443 . 1 1 34 34 VAL HG23 H 1 0.982 0.020 . 2 . . . . . . . . 6631 1 444 . 1 1 34 34 VAL CG1 C 13 21.667 0.400 . 1 . . . . . . . . 6631 1 445 . 1 1 34 34 VAL CG2 C 13 24.361 0.400 . 1 . . . . . . . . 6631 1 446 . 1 1 34 34 VAL C C 13 177.710 0.400 . 1 . . . . . . . . 6631 1 447 . 1 1 35 35 SER N N 15 113.583 0.400 . 1 . . . . . . . . 6631 1 448 . 1 1 35 35 SER H H 1 8.390 0.020 . 1 . . . . . . . . 6631 1 449 . 1 1 35 35 SER CA C 13 61.580 0.400 . 1 . . . . . . . . 6631 1 450 . 1 1 35 35 SER HA H 1 3.693 0.020 . 1 . . . . . . . . 6631 1 451 . 1 1 35 35 SER CB C 13 61.270 0.400 . 1 . . . . . . . . 6631 1 452 . 1 1 35 35 SER HB2 H 1 3.877 0.020 . 2 . . . . . . . . 6631 1 453 . 1 1 35 35 SER C C 13 176.440 0.400 . 1 . . . . . . . . 6631 1 454 . 1 1 36 36 VAL N N 15 123.524 0.400 . 1 . . . . . . . . 6631 1 455 . 1 1 36 36 VAL H H 1 8.086 0.020 . 1 . . . . . . . . 6631 1 456 . 1 1 36 36 VAL CA C 13 66.265 0.400 . 1 . . . . . . . . 6631 1 457 . 1 1 36 36 VAL HA H 1 3.546 0.020 . 1 . . . . . . . . 6631 1 458 . 1 1 36 36 VAL CB C 13 31.440 0.400 . 1 . . . . . . . . 6631 1 459 . 1 1 36 36 VAL HB H 1 2.149 0.020 . 1 . . . . . . . . 6631 1 460 . 1 1 36 36 VAL HG11 H 1 1.003 0.020 . 2 . . . . . . . . 6631 1 461 . 1 1 36 36 VAL HG12 H 1 1.003 0.020 . 2 . . . . . . . . 6631 1 462 . 1 1 36 36 VAL HG13 H 1 1.003 0.020 . 2 . . . . . . . . 6631 1 463 . 1 1 36 36 VAL HG21 H 1 0.887 0.020 . 2 . . . . . . . . 6631 1 464 . 1 1 36 36 VAL HG22 H 1 0.887 0.020 . 2 . . . . . . . . 6631 1 465 . 1 1 36 36 VAL HG23 H 1 0.887 0.020 . 2 . . . . . . . . 6631 1 466 . 1 1 36 36 VAL CG1 C 13 22.748 0.400 . 1 . . . . . . . . 6631 1 467 . 1 1 36 36 VAL CG2 C 13 20.918 0.400 . 1 . . . . . . . . 6631 1 468 . 1 1 36 36 VAL C C 13 178.510 0.400 . 1 . . . . . . . . 6631 1 469 . 1 1 37 37 ILE N N 15 118.668 0.400 . 1 . . . . . . . . 6631 1 470 . 1 1 37 37 ILE H H 1 7.776 0.020 . 1 . . . . . . . . 6631 1 471 . 1 1 37 37 ILE CA C 13 65.351 0.400 . 1 . . . . . . . . 6631 1 472 . 1 1 37 37 ILE HA H 1 3.133 0.020 . 1 . . . . . . . . 6631 1 473 . 1 1 37 37 ILE CB C 13 37.108 0.400 . 1 . . . . . . . . 6631 1 474 . 1 1 37 37 ILE HB H 1 1.987 0.020 . 1 . . . . . . . . 6631 1 475 . 1 1 37 37 ILE HG21 H 1 0.795 0.020 . 1 . . . . . . . . 6631 1 476 . 1 1 37 37 ILE HG22 H 1 0.795 0.020 . 1 . . . . . . . . 6631 1 477 . 1 1 37 37 ILE HG23 H 1 0.795 0.020 . 1 . . . . . . . . 6631 1 478 . 1 1 37 37 ILE CG2 C 13 17.528 0.400 . 1 . . . . . . . . 6631 1 479 . 1 1 37 37 ILE CG1 C 13 28.824 0.400 . 1 . . . . . . . . 6631 1 480 . 1 1 37 37 ILE HG12 H 1 0.717 0.020 . 2 . . . . . . . . 6631 1 481 . 1 1 37 37 ILE HG13 H 1 1.631 0.020 . 2 . . . . . . . . 6631 1 482 . 1 1 37 37 ILE HD11 H 1 0.714 0.020 . 1 . . . . . . . . 6631 1 483 . 1 1 37 37 ILE HD12 H 1 0.714 0.020 . 1 . . . . . . . . 6631 1 484 . 1 1 37 37 ILE HD13 H 1 0.714 0.020 . 1 . . . . . . . . 6631 1 485 . 1 1 37 37 ILE CD1 C 13 13.362 0.400 . 1 . . . . . . . . 6631 1 486 . 1 1 37 37 ILE C C 13 177.960 0.400 . 1 . . . . . . . . 6631 1 487 . 1 1 38 38 LYS N N 15 115.409 0.400 . 1 . . . . . . . . 6631 1 488 . 1 1 38 38 LYS H H 1 6.848 0.020 . 1 . . . . . . . . 6631 1 489 . 1 1 38 38 LYS CA C 13 58.920 0.400 . 1 . . . . . . . . 6631 1 490 . 1 1 38 38 LYS HA H 1 4.766 0.020 . 1 . . . . . . . . 6631 1 491 . 1 1 38 38 LYS CB C 13 33.038 0.400 . 1 . . . . . . . . 6631 1 492 . 1 1 38 38 LYS HB2 H 1 2.002 0.020 . 2 . . . . . . . . 6631 1 493 . 1 1 38 38 LYS HB3 H 1 1.402 0.020 . 2 . . . . . . . . 6631 1 494 . 1 1 38 38 LYS CG C 13 26.590 0.400 . 1 . . . . . . . . 6631 1 495 . 1 1 38 38 LYS HG2 H 1 1.231 0.020 . 2 . . . . . . . . 6631 1 496 . 1 1 38 38 LYS CD C 13 29.549 0.400 . 1 . . . . . . . . 6631 1 497 . 1 1 38 38 LYS HD2 H 1 1.619 0.020 . 2 . . . . . . . . 6631 1 498 . 1 1 38 38 LYS CE C 13 42.180 0.400 . 1 . . . . . . . . 6631 1 499 . 1 1 38 38 LYS HE2 H 1 2.757 0.020 . 2 . . . . . . . . 6631 1 500 . 1 1 38 38 LYS HE3 H 1 2.569 0.020 . 2 . . . . . . . . 6631 1 501 . 1 1 38 38 LYS C C 13 180.300 0.400 . 1 . . . . . . . . 6631 1 502 . 1 1 39 39 VAL N N 15 121.426 0.400 . 1 . . . . . . . . 6631 1 503 . 1 1 39 39 VAL H H 1 7.427 0.020 . 1 . . . . . . . . 6631 1 504 . 1 1 39 39 VAL CA C 13 66.617 0.400 . 1 . . . . . . . . 6631 1 505 . 1 1 39 39 VAL HA H 1 3.672 0.020 . 1 . . . . . . . . 6631 1 506 . 1 1 39 39 VAL CB C 13 31.300 0.400 . 1 . . . . . . . . 6631 1 507 . 1 1 39 39 VAL HB H 1 2.255 0.020 . 1 . . . . . . . . 6631 1 508 . 1 1 39 39 VAL HG11 H 1 0.896 0.020 . 2 . . . . . . . . 6631 1 509 . 1 1 39 39 VAL HG12 H 1 0.896 0.020 . 2 . . . . . . . . 6631 1 510 . 1 1 39 39 VAL HG13 H 1 0.896 0.020 . 2 . . . . . . . . 6631 1 511 . 1 1 39 39 VAL HG21 H 1 0.992 0.020 . 2 . . . . . . . . 6631 1 512 . 1 1 39 39 VAL HG22 H 1 0.992 0.020 . 2 . . . . . . . . 6631 1 513 . 1 1 39 39 VAL HG23 H 1 0.992 0.020 . 2 . . . . . . . . 6631 1 514 . 1 1 39 39 VAL CG1 C 13 20.907 0.400 . 1 . . . . . . . . 6631 1 515 . 1 1 39 39 VAL CG2 C 13 22.142 0.400 . 1 . . . . . . . . 6631 1 516 . 1 1 39 39 VAL C C 13 178.980 0.400 . 1 . . . . . . . . 6631 1 517 . 1 1 40 40 LYS N N 15 119.809 0.400 . 1 . . . . . . . . 6631 1 518 . 1 1 40 40 LYS H H 1 7.769 0.020 . 1 . . . . . . . . 6631 1 519 . 1 1 40 40 LYS CA C 13 58.181 0.400 . 1 . . . . . . . . 6631 1 520 . 1 1 40 40 LYS HA H 1 3.867 0.020 . 1 . . . . . . . . 6631 1 521 . 1 1 40 40 LYS CB C 13 29.707 0.400 . 1 . . . . . . . . 6631 1 522 . 1 1 40 40 LYS HB2 H 1 1.086 0.020 . 2 . . . . . . . . 6631 1 523 . 1 1 40 40 LYS HB3 H 1 0.649 0.020 . 2 . . . . . . . . 6631 1 524 . 1 1 40 40 LYS CG C 13 24.519 0.400 . 1 . . . . . . . . 6631 1 525 . 1 1 40 40 LYS HG2 H 1 0.978 0.020 . 2 . . . . . . . . 6631 1 526 . 1 1 40 40 LYS CD C 13 28.050 0.400 . 1 . . . . . . . . 6631 1 527 . 1 1 40 40 LYS HD2 H 1 1.294 0.020 . 2 . . . . . . . . 6631 1 528 . 1 1 40 40 LYS CE C 13 42.069 0.400 . 1 . . . . . . . . 6631 1 529 . 1 1 40 40 LYS HE2 H 1 2.628 0.020 . 2 . . . . . . . . 6631 1 530 . 1 1 40 40 LYS C C 13 180.500 0.400 . 1 . . . . . . . . 6631 1 531 . 1 1 41 41 ILE N N 15 121.281 0.400 . 1 . . . . . . . . 6631 1 532 . 1 1 41 41 ILE H H 1 8.708 0.020 . 1 . . . . . . . . 6631 1 533 . 1 1 41 41 ILE CA C 13 66.267 0.400 . 1 . . . . . . . . 6631 1 534 . 1 1 41 41 ILE HA H 1 3.582 0.020 . 1 . . . . . . . . 6631 1 535 . 1 1 41 41 ILE CB C 13 37.238 0.400 . 1 . . . . . . . . 6631 1 536 . 1 1 41 41 ILE HB H 1 2.218 0.020 . 1 . . . . . . . . 6631 1 537 . 1 1 41 41 ILE HG21 H 1 0.688 0.020 . 1 . . . . . . . . 6631 1 538 . 1 1 41 41 ILE HG22 H 1 0.688 0.020 . 1 . . . . . . . . 6631 1 539 . 1 1 41 41 ILE HG23 H 1 0.688 0.020 . 1 . . . . . . . . 6631 1 540 . 1 1 41 41 ILE CG2 C 13 18.515 0.400 . 1 . . . . . . . . 6631 1 541 . 1 1 41 41 ILE CG1 C 13 30.143 0.400 . 1 . . . . . . . . 6631 1 542 . 1 1 41 41 ILE HG12 H 1 0.765 0.020 . 2 . . . . . . . . 6631 1 543 . 1 1 41 41 ILE HG13 H 1 2.110 0.020 . 2 . . . . . . . . 6631 1 544 . 1 1 41 41 ILE HD11 H 1 0.905 0.020 . 1 . . . . . . . . 6631 1 545 . 1 1 41 41 ILE HD12 H 1 0.905 0.020 . 1 . . . . . . . . 6631 1 546 . 1 1 41 41 ILE HD13 H 1 0.905 0.020 . 1 . . . . . . . . 6631 1 547 . 1 1 41 41 ILE CD1 C 13 16.856 0.400 . 1 . . . . . . . . 6631 1 548 . 1 1 41 41 ILE C C 13 179.900 0.400 . 1 . . . . . . . . 6631 1 549 . 1 1 42 42 HIS N N 15 126.817 0.400 . 1 . . . . . . . . 6631 1 550 . 1 1 42 42 HIS H H 1 8.670 0.020 . 1 . . . . . . . . 6631 1 551 . 1 1 42 42 HIS CA C 13 59.486 0.400 . 1 . . . . . . . . 6631 1 552 . 1 1 42 42 HIS HA H 1 4.266 0.020 . 1 . . . . . . . . 6631 1 553 . 1 1 42 42 HIS CB C 13 30.455 0.400 . 1 . . . . . . . . 6631 1 554 . 1 1 42 42 HIS HB2 H 1 3.078 0.020 . 2 . . . . . . . . 6631 1 555 . 1 1 42 42 HIS HB3 H 1 3.387 0.020 . 2 . . . . . . . . 6631 1 556 . 1 1 42 42 HIS C C 13 178.960 0.400 . 1 . . . . . . . . 6631 1 557 . 1 1 43 43 GLU N N 15 121.154 0.400 . 1 . . . . . . . . 6631 1 558 . 1 1 43 43 GLU H H 1 8.295 0.020 . 1 . . . . . . . . 6631 1 559 . 1 1 43 43 GLU CA C 13 59.359 0.400 . 1 . . . . . . . . 6631 1 560 . 1 1 43 43 GLU HA H 1 3.664 0.020 . 1 . . . . . . . . 6631 1 561 . 1 1 43 43 GLU CB C 13 29.535 0.400 . 1 . . . . . . . . 6631 1 562 . 1 1 43 43 GLU HB2 H 1 2.020 0.020 . 2 . . . . . . . . 6631 1 563 . 1 1 43 43 GLU HB3 H 1 2.153 0.020 . 2 . . . . . . . . 6631 1 564 . 1 1 43 43 GLU CG C 13 36.211 0.400 . 1 . . . . . . . . 6631 1 565 . 1 1 43 43 GLU HG2 H 1 2.457 0.020 . 2 . . . . . . . . 6631 1 566 . 1 1 43 43 GLU HG3 H 1 2.246 0.020 . 2 . . . . . . . . 6631 1 567 . 1 1 43 43 GLU C C 13 177.760 0.400 . 1 . . . . . . . . 6631 1 568 . 1 1 44 44 ALA N N 15 116.765 0.400 . 1 . . . . . . . . 6631 1 569 . 1 1 44 44 ALA H H 1 7.607 0.020 . 1 . . . . . . . . 6631 1 570 . 1 1 44 44 ALA CA C 13 54.219 0.400 . 1 . . . . . . . . 6631 1 571 . 1 1 44 44 ALA HA H 1 4.418 0.020 . 1 . . . . . . . . 6631 1 572 . 1 1 44 44 ALA HB1 H 1 1.694 0.020 . 1 . . . . . . . . 6631 1 573 . 1 1 44 44 ALA HB2 H 1 1.694 0.020 . 1 . . . . . . . . 6631 1 574 . 1 1 44 44 ALA HB3 H 1 1.694 0.020 . 1 . . . . . . . . 6631 1 575 . 1 1 44 44 ALA CB C 13 21.166 0.400 . 1 . . . . . . . . 6631 1 576 . 1 1 44 44 ALA C C 13 179.760 0.400 . 1 . . . . . . . . 6631 1 577 . 1 1 45 45 THR N N 15 104.684 0.400 . 1 . . . . . . . . 6631 1 578 . 1 1 45 45 THR H H 1 8.319 0.020 . 1 . . . . . . . . 6631 1 579 . 1 1 45 45 THR CA C 13 62.360 0.400 . 1 . . . . . . . . 6631 1 580 . 1 1 45 45 THR HA H 1 4.736 0.020 . 1 . . . . . . . . 6631 1 581 . 1 1 45 45 THR CB C 13 73.745 0.400 . 1 . . . . . . . . 6631 1 582 . 1 1 45 45 THR HB H 1 4.087 0.020 . 1 . . . . . . . . 6631 1 583 . 1 1 45 45 THR HG21 H 1 1.194 0.020 . 1 . . . . . . . . 6631 1 584 . 1 1 45 45 THR HG22 H 1 1.194 0.020 . 1 . . . . . . . . 6631 1 585 . 1 1 45 45 THR HG23 H 1 1.194 0.020 . 1 . . . . . . . . 6631 1 586 . 1 1 45 45 THR CG2 C 13 21.090 0.400 . 1 . . . . . . . . 6631 1 587 . 1 1 45 45 THR C C 13 175.330 0.400 . 1 . . . . . . . . 6631 1 588 . 1 1 46 46 GLY N N 15 112.323 0.400 . 1 . . . . . . . . 6631 1 589 . 1 1 46 46 GLY H H 1 8.504 0.020 . 1 . . . . . . . . 6631 1 590 . 1 1 46 46 GLY CA C 13 45.107 0.400 . 1 . . . . . . . . 6631 1 591 . 1 1 46 46 GLY HA2 H 1 4.587 0.020 . 2 . . . . . . . . 6631 1 592 . 1 1 46 46 GLY HA3 H 1 3.534 0.020 . 2 . . . . . . . . 6631 1 593 . 1 1 46 46 GLY C C 13 172.760 0.400 . 1 . . . . . . . . 6631 1 594 . 1 1 47 47 MET N N 15 123.524 0.400 . 1 . . . . . . . . 6631 1 595 . 1 1 47 47 MET H H 1 7.647 0.020 . 1 . . . . . . . . 6631 1 596 . 1 1 47 47 MET CA C 13 53.436 0.400 . 1 . . . . . . . . 6631 1 597 . 1 1 47 47 MET HA H 1 2.627 0.020 . 1 . . . . . . . . 6631 1 598 . 1 1 47 47 MET CB C 13 33.825 0.400 . 1 . . . . . . . . 6631 1 599 . 1 1 47 47 MET HB2 H 1 0.882 0.020 . 2 . . . . . . . . 6631 1 600 . 1 1 47 47 MET HB3 H 1 1.391 0.020 . 2 . . . . . . . . 6631 1 601 . 1 1 47 47 MET CG C 13 30.501 0.400 . 1 . . . . . . . . 6631 1 602 . 1 1 47 47 MET HG2 H 1 1.550 0.020 . 2 . . . . . . . . 6631 1 603 . 1 1 47 47 MET HG3 H 1 0.506 0.020 . 2 . . . . . . . . 6631 1 604 . 1 1 47 47 MET HE1 H 1 1.618 0.020 . 1 . . . . . . . . 6631 1 605 . 1 1 47 47 MET HE2 H 1 1.618 0.020 . 1 . . . . . . . . 6631 1 606 . 1 1 47 47 MET HE3 H 1 1.618 0.020 . 1 . . . . . . . . 6631 1 607 . 1 1 47 47 MET CE C 13 17.772 0.400 . 1 . . . . . . . . 6631 1 608 . 1 1 47 47 MET C C 13 172.540 0.400 . 1 . . . . . . . . 6631 1 609 . 1 1 48 48 PRO CD C 13 50.428 0.400 . 1 . . . . . . . . 6631 1 610 . 1 1 48 48 PRO CA C 13 62.572 0.400 . 1 . . . . . . . . 6631 1 611 . 1 1 48 48 PRO HA H 1 3.550 0.020 . 1 . . . . . . . . 6631 1 612 . 1 1 48 48 PRO CB C 13 32.548 0.400 . 1 . . . . . . . . 6631 1 613 . 1 1 48 48 PRO HB2 H 1 2.162 0.020 . 2 . . . . . . . . 6631 1 614 . 1 1 48 48 PRO HB3 H 1 1.637 0.020 . 2 . . . . . . . . 6631 1 615 . 1 1 48 48 PRO CG C 13 27.461 0.400 . 1 . . . . . . . . 6631 1 616 . 1 1 48 48 PRO HG2 H 1 1.980 0.020 . 2 . . . . . . . . 6631 1 617 . 1 1 48 48 PRO HD2 H 1 2.821 0.020 . 2 . . . . . . . . 6631 1 618 . 1 1 48 48 PRO HD3 H 1 4.233 0.020 . 2 . . . . . . . . 6631 1 619 . 1 1 48 48 PRO C C 13 177.650 0.400 . 1 . . . . . . . . 6631 1 620 . 1 1 49 49 ALA N N 15 125.239 0.400 . 1 . . . . . . . . 6631 1 621 . 1 1 49 49 ALA H H 1 8.576 0.020 . 1 . . . . . . . . 6631 1 622 . 1 1 49 49 ALA CA C 13 55.440 0.400 . 1 . . . . . . . . 6631 1 623 . 1 1 49 49 ALA HA H 1 3.892 0.020 . 1 . . . . . . . . 6631 1 624 . 1 1 49 49 ALA HB1 H 1 1.185 0.020 . 1 . . . . . . . . 6631 1 625 . 1 1 49 49 ALA HB2 H 1 1.185 0.020 . 1 . . . . . . . . 6631 1 626 . 1 1 49 49 ALA HB3 H 1 1.185 0.020 . 1 . . . . . . . . 6631 1 627 . 1 1 49 49 ALA CB C 13 18.323 0.400 . 1 . . . . . . . . 6631 1 628 . 1 1 49 49 ALA C C 13 180.490 0.400 . 1 . . . . . . . . 6631 1 629 . 1 1 50 50 GLY N N 15 103.120 0.400 . 1 . . . . . . . . 6631 1 630 . 1 1 50 50 GLY H H 1 8.674 0.020 . 1 . . . . . . . . 6631 1 631 . 1 1 50 50 GLY CA C 13 46.129 0.400 . 1 . . . . . . . . 6631 1 632 . 1 1 50 50 GLY HA3 H 1 3.885 0.020 . 2 . . . . . . . . 6631 1 633 . 1 1 50 50 GLY C C 13 174.410 0.400 . 1 . . . . . . . . 6631 1 634 . 1 1 51 51 LYS N N 15 116.185 0.400 . 1 . . . . . . . . 6631 1 635 . 1 1 51 51 LYS H H 1 7.458 0.020 . 1 . . . . . . . . 6631 1 636 . 1 1 51 51 LYS CA C 13 54.474 0.400 . 1 . . . . . . . . 6631 1 637 . 1 1 51 51 LYS HA H 1 4.441 0.020 . 1 . . . . . . . . 6631 1 638 . 1 1 51 51 LYS CB C 13 33.026 0.400 . 1 . . . . . . . . 6631 1 639 . 1 1 51 51 LYS HB2 H 1 1.960 0.020 . 2 . . . . . . . . 6631 1 640 . 1 1 51 51 LYS HB3 H 1 1.401 0.020 . 2 . . . . . . . . 6631 1 641 . 1 1 51 51 LYS CG C 13 24.924 0.400 . 1 . . . . . . . . 6631 1 642 . 1 1 51 51 LYS HG3 H 1 1.445 0.020 . 2 . . . . . . . . 6631 1 643 . 1 1 51 51 LYS CD C 13 29.061 0.400 . 1 . . . . . . . . 6631 1 644 . 1 1 51 51 LYS HD2 H 1 1.650 0.020 . 2 . . . . . . . . 6631 1 645 . 1 1 51 51 LYS HD3 H 1 1.406 0.020 . 2 . . . . . . . . 6631 1 646 . 1 1 51 51 LYS CE C 13 42.371 0.400 . 1 . . . . . . . . 6631 1 647 . 1 1 51 51 LYS HE2 H 1 3.176 0.020 . 2 . . . . . . . . 6631 1 648 . 1 1 51 51 LYS HE3 H 1 3.036 0.020 . 2 . . . . . . . . 6631 1 649 . 1 1 51 51 LYS C C 13 175.140 0.400 . 1 . . . . . . . . 6631 1 650 . 1 1 52 52 GLN N N 15 119.212 0.400 . 1 . . . . . . . . 6631 1 651 . 1 1 52 52 GLN H H 1 7.242 0.020 . 1 . . . . . . . . 6631 1 652 . 1 1 52 52 GLN CA C 13 56.244 0.400 . 1 . . . . . . . . 6631 1 653 . 1 1 52 52 GLN HA H 1 4.257 0.020 . 1 . . . . . . . . 6631 1 654 . 1 1 52 52 GLN CB C 13 31.350 0.400 . 1 . . . . . . . . 6631 1 655 . 1 1 52 52 GLN HB3 H 1 1.799 0.020 . 2 . . . . . . . . 6631 1 656 . 1 1 52 52 GLN CG C 13 31.887 0.400 . 1 . . . . . . . . 6631 1 657 . 1 1 52 52 GLN HG2 H 1 2.160 0.020 . 2 . . . . . . . . 6631 1 658 . 1 1 52 52 GLN NE2 N 15 103.320 0.400 . 1 . . . . . . . . 6631 1 659 . 1 1 52 52 GLN HE21 H 1 6.050 0.020 . 2 . . . . . . . . 6631 1 660 . 1 1 52 52 GLN HE22 H 1 6.370 0.020 . 2 . . . . . . . . 6631 1 661 . 1 1 52 52 GLN C C 13 175.830 0.400 . 1 . . . . . . . . 6631 1 662 . 1 1 53 53 LYS N N 15 121.986 0.400 . 1 . . . . . . . . 6631 1 663 . 1 1 53 53 LYS H H 1 8.665 0.020 . 1 . . . . . . . . 6631 1 664 . 1 1 53 53 LYS CA C 13 55.098 0.400 . 1 . . . . . . . . 6631 1 665 . 1 1 53 53 LYS HA H 1 4.626 0.020 . 1 . . . . . . . . 6631 1 666 . 1 1 53 53 LYS CB C 13 35.478 0.400 . 1 . . . . . . . . 6631 1 667 . 1 1 53 53 LYS HB2 H 1 1.294 0.020 . 2 . . . . . . . . 6631 1 668 . 1 1 53 53 LYS HB3 H 1 1.573 0.020 . 2 . . . . . . . . 6631 1 669 . 1 1 53 53 LYS HG2 H 1 1.214 0.020 . 2 . . . . . . . . 6631 1 670 . 1 1 53 53 LYS HG3 H 1 1.136 0.020 . 2 . . . . . . . . 6631 1 671 . 1 1 53 53 LYS CD C 13 29.676 0.400 . 1 . . . . . . . . 6631 1 672 . 1 1 53 53 LYS HD2 H 1 1.325 0.020 . 2 . . . . . . . . 6631 1 673 . 1 1 53 53 LYS CE C 13 41.323 0.400 . 1 . . . . . . . . 6631 1 674 . 1 1 53 53 LYS HE2 H 1 2.295 0.020 . 2 . . . . . . . . 6631 1 675 . 1 1 53 53 LYS HE3 H 1 2.452 0.020 . 2 . . . . . . . . 6631 1 676 . 1 1 53 53 LYS C C 13 174.540 0.400 . 1 . . . . . . . . 6631 1 677 . 1 1 54 54 LEU N N 15 123.810 0.400 . 1 . . . . . . . . 6631 1 678 . 1 1 54 54 LEU H H 1 8.629 0.020 . 1 . . . . . . . . 6631 1 679 . 1 1 54 54 LEU CA C 13 53.317 0.400 . 1 . . . . . . . . 6631 1 680 . 1 1 54 54 LEU HA H 1 5.278 0.020 . 1 . . . . . . . . 6631 1 681 . 1 1 54 54 LEU CB C 13 43.592 0.400 . 1 . . . . . . . . 6631 1 682 . 1 1 54 54 LEU HB2 H 1 1.774 0.020 . 2 . . . . . . . . 6631 1 683 . 1 1 54 54 LEU HB3 H 1 1.029 0.020 . 2 . . . . . . . . 6631 1 684 . 1 1 54 54 LEU HG H 1 1.452 0.020 . 1 . . . . . . . . 6631 1 685 . 1 1 54 54 LEU HD11 H 1 0.723 0.020 . 2 . . . . . . . . 6631 1 686 . 1 1 54 54 LEU HD12 H 1 0.723 0.020 . 2 . . . . . . . . 6631 1 687 . 1 1 54 54 LEU HD13 H 1 0.723 0.020 . 2 . . . . . . . . 6631 1 688 . 1 1 54 54 LEU HD21 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 689 . 1 1 54 54 LEU HD22 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 690 . 1 1 54 54 LEU HD23 H 1 0.711 0.020 . 2 . . . . . . . . 6631 1 691 . 1 1 54 54 LEU CD1 C 13 22.400 0.400 . 1 . . . . . . . . 6631 1 692 . 1 1 54 54 LEU CD2 C 13 26.419 0.400 . 1 . . . . . . . . 6631 1 693 . 1 1 54 54 LEU C C 13 175.460 0.400 . 1 . . . . . . . . 6631 1 694 . 1 1 55 55 GLN N N 15 122.921 0.400 . 1 . . . . . . . . 6631 1 695 . 1 1 55 55 GLN H H 1 8.869 0.020 . 1 . . . . . . . . 6631 1 696 . 1 1 55 55 GLN CA C 13 54.045 0.400 . 1 . . . . . . . . 6631 1 697 . 1 1 55 55 GLN HA H 1 5.099 0.020 . 1 . . . . . . . . 6631 1 698 . 1 1 55 55 GLN CB C 13 33.117 0.400 . 1 . . . . . . . . 6631 1 699 . 1 1 55 55 GLN HB2 H 1 1.677 0.020 . 2 . . . . . . . . 6631 1 700 . 1 1 55 55 GLN HB3 H 1 1.924 0.020 . 2 . . . . . . . . 6631 1 701 . 1 1 55 55 GLN CG C 13 34.041 0.400 . 1 . . . . . . . . 6631 1 702 . 1 1 55 55 GLN HG2 H 1 1.620 0.020 . 2 . . . . . . . . 6631 1 703 . 1 1 55 55 GLN HG3 H 1 1.380 0.020 . 2 . . . . . . . . 6631 1 704 . 1 1 55 55 GLN NE2 N 15 110.362 0.400 . 1 . . . . . . . . 6631 1 705 . 1 1 55 55 GLN HE21 H 1 6.340 0.020 . 2 . . . . . . . . 6631 1 706 . 1 1 55 55 GLN HE22 H 1 6.549 0.020 . 2 . . . . . . . . 6631 1 707 . 1 1 55 55 GLN C C 13 173.660 0.400 . 1 . . . . . . . . 6631 1 708 . 1 1 56 56 TYR N N 15 126.882 0.400 . 1 . . . . . . . . 6631 1 709 . 1 1 56 56 TYR H H 1 9.115 0.020 . 1 . . . . . . . . 6631 1 710 . 1 1 56 56 TYR CA C 13 55.812 0.400 . 1 . . . . . . . . 6631 1 711 . 1 1 56 56 TYR HA H 1 5.113 0.020 . 1 . . . . . . . . 6631 1 712 . 1 1 56 56 TYR CB C 13 42.067 0.400 . 1 . . . . . . . . 6631 1 713 . 1 1 56 56 TYR HB2 H 1 2.776 0.020 . 2 . . . . . . . . 6631 1 714 . 1 1 56 56 TYR HB3 H 1 2.560 0.020 . 2 . . . . . . . . 6631 1 715 . 1 1 56 56 TYR CD1 C 13 133.080 0.400 . 1 . . . . . . . . 6631 1 716 . 1 1 56 56 TYR HD1 H 1 7.111 0.020 . 1 . . . . . . . . 6631 1 717 . 1 1 56 56 TYR CE1 C 13 119.240 0.400 . 1 . . . . . . . . 6631 1 718 . 1 1 56 56 TYR HE1 H 1 6.999 0.020 . 1 . . . . . . . . 6631 1 719 . 1 1 56 56 TYR HE2 H 1 6.999 0.020 . 1 . . . . . . . . 6631 1 720 . 1 1 56 56 TYR HD2 H 1 7.111 0.020 . 1 . . . . . . . . 6631 1 721 . 1 1 56 56 TYR C C 13 173.530 0.400 . 1 . . . . . . . . 6631 1 722 . 1 1 57 57 GLU N N 15 126.323 0.400 . 1 . . . . . . . . 6631 1 723 . 1 1 57 57 GLU H H 1 9.336 0.020 . 1 . . . . . . . . 6631 1 724 . 1 1 57 57 GLU CA C 13 56.605 0.400 . 1 . . . . . . . . 6631 1 725 . 1 1 57 57 GLU HA H 1 3.532 0.020 . 1 . . . . . . . . 6631 1 726 . 1 1 57 57 GLU CB C 13 27.126 0.400 . 1 . . . . . . . . 6631 1 727 . 1 1 57 57 GLU HB2 H 1 1.871 0.020 . 2 . . . . . . . . 6631 1 728 . 1 1 57 57 GLU CG C 13 35.388 0.400 . 1 . . . . . . . . 6631 1 729 . 1 1 57 57 GLU HG2 H 1 1.344 0.020 . 2 . . . . . . . . 6631 1 730 . 1 1 57 57 GLU HG3 H 1 1.526 0.020 . 2 . . . . . . . . 6631 1 731 . 1 1 57 57 GLU C C 13 176.250 0.400 . 1 . . . . . . . . 6631 1 732 . 1 1 58 58 GLY N N 15 102.987 0.400 . 1 . . . . . . . . 6631 1 733 . 1 1 58 58 GLY H H 1 8.433 0.020 . 1 . . . . . . . . 6631 1 734 . 1 1 58 58 GLY CA C 13 45.150 0.400 . 1 . . . . . . . . 6631 1 735 . 1 1 58 58 GLY HA2 H 1 3.307 0.020 . 2 . . . . . . . . 6631 1 736 . 1 1 58 58 GLY HA3 H 1 4.000 0.020 . 2 . . . . . . . . 6631 1 737 . 1 1 58 58 GLY C C 13 173.780 0.400 . 1 . . . . . . . . 6631 1 738 . 1 1 59 59 ILE N N 15 120.986 0.400 . 1 . . . . . . . . 6631 1 739 . 1 1 59 59 ILE H H 1 8.020 0.020 . 1 . . . . . . . . 6631 1 740 . 1 1 59 59 ILE CA C 13 59.359 0.400 . 1 . . . . . . . . 6631 1 741 . 1 1 59 59 ILE HA H 1 4.203 0.020 . 1 . . . . . . . . 6631 1 742 . 1 1 59 59 ILE CB C 13 40.105 0.400 . 1 . . . . . . . . 6631 1 743 . 1 1 59 59 ILE HB H 1 2.053 0.020 . 1 . . . . . . . . 6631 1 744 . 1 1 59 59 ILE HG21 H 1 0.911 0.020 . 1 . . . . . . . . 6631 1 745 . 1 1 59 59 ILE HG22 H 1 0.911 0.020 . 1 . . . . . . . . 6631 1 746 . 1 1 59 59 ILE HG23 H 1 0.911 0.020 . 1 . . . . . . . . 6631 1 747 . 1 1 59 59 ILE CG2 C 13 17.751 0.400 . 1 . . . . . . . . 6631 1 748 . 1 1 59 59 ILE CG1 C 13 26.773 0.400 . 1 . . . . . . . . 6631 1 749 . 1 1 59 59 ILE HG12 H 1 1.160 0.020 . 2 . . . . . . . . 6631 1 750 . 1 1 59 59 ILE HG13 H 1 1.511 0.020 . 2 . . . . . . . . 6631 1 751 . 1 1 59 59 ILE HD11 H 1 0.974 0.020 . 1 . . . . . . . . 6631 1 752 . 1 1 59 59 ILE HD12 H 1 0.974 0.020 . 1 . . . . . . . . 6631 1 753 . 1 1 59 59 ILE HD13 H 1 0.974 0.020 . 1 . . . . . . . . 6631 1 754 . 1 1 59 59 ILE CD1 C 13 13.172 0.400 . 1 . . . . . . . . 6631 1 755 . 1 1 59 59 ILE C C 13 175.980 0.400 . 1 . . . . . . . . 6631 1 756 . 1 1 60 60 PHE N N 15 125.689 0.400 . 1 . . . . . . . . 6631 1 757 . 1 1 60 60 PHE H H 1 8.868 0.020 . 1 . . . . . . . . 6631 1 758 . 1 1 60 60 PHE CA C 13 57.684 0.400 . 1 . . . . . . . . 6631 1 759 . 1 1 60 60 PHE HA H 1 5.161 0.020 . 1 . . . . . . . . 6631 1 760 . 1 1 60 60 PHE CB C 13 36.826 0.400 . 1 . . . . . . . . 6631 1 761 . 1 1 60 60 PHE HB2 H 1 2.939 0.020 . 2 . . . . . . . . 6631 1 762 . 1 1 60 60 PHE HB3 H 1 3.156 0.020 . 2 . . . . . . . . 6631 1 763 . 1 1 60 60 PHE CD1 C 13 131.440 0.400 . 1 . . . . . . . . 6631 1 764 . 1 1 60 60 PHE HD1 H 1 7.263 0.020 . 1 . . . . . . . . 6631 1 765 . 1 1 60 60 PHE HD2 H 1 7.263 0.020 . 1 . . . . . . . . 6631 1 766 . 1 1 60 60 PHE C C 13 176.210 0.400 . 1 . . . . . . . . 6631 1 767 . 1 1 61 61 ILE N N 15 119.392 0.400 . 1 . . . . . . . . 6631 1 768 . 1 1 61 61 ILE H H 1 7.375 0.020 . 1 . . . . . . . . 6631 1 769 . 1 1 61 61 ILE CA C 13 61.786 0.400 . 1 . . . . . . . . 6631 1 770 . 1 1 61 61 ILE HA H 1 4.042 0.020 . 1 . . . . . . . . 6631 1 771 . 1 1 61 61 ILE CB C 13 39.349 0.400 . 1 . . . . . . . . 6631 1 772 . 1 1 61 61 ILE HB H 1 1.436 0.020 . 1 . . . . . . . . 6631 1 773 . 1 1 61 61 ILE HG21 H 1 0.213 0.020 . 1 . . . . . . . . 6631 1 774 . 1 1 61 61 ILE HG22 H 1 0.213 0.020 . 1 . . . . . . . . 6631 1 775 . 1 1 61 61 ILE HG23 H 1 0.213 0.020 . 1 . . . . . . . . 6631 1 776 . 1 1 61 61 ILE CG2 C 13 18.443 0.400 . 1 . . . . . . . . 6631 1 777 . 1 1 61 61 ILE CG1 C 13 24.305 0.400 . 1 . . . . . . . . 6631 1 778 . 1 1 61 61 ILE HG12 H 1 0.835 0.020 . 2 . . . . . . . . 6631 1 779 . 1 1 61 61 ILE HD11 H 1 0.478 0.020 . 1 . . . . . . . . 6631 1 780 . 1 1 61 61 ILE HD12 H 1 0.478 0.020 . 1 . . . . . . . . 6631 1 781 . 1 1 61 61 ILE HD13 H 1 0.478 0.020 . 1 . . . . . . . . 6631 1 782 . 1 1 61 61 ILE CD1 C 13 13.935 0.400 . 1 . . . . . . . . 6631 1 783 . 1 1 61 61 ILE C C 13 174.950 0.400 . 1 . . . . . . . . 6631 1 784 . 1 1 62 62 LYS N N 15 122.548 0.400 . 1 . . . . . . . . 6631 1 785 . 1 1 62 62 LYS H H 1 8.270 0.020 . 1 . . . . . . . . 6631 1 786 . 1 1 62 62 LYS CA C 13 55.985 0.400 . 1 . . . . . . . . 6631 1 787 . 1 1 62 62 LYS HA H 1 4.544 0.020 . 1 . . . . . . . . 6631 1 788 . 1 1 62 62 LYS CB C 13 34.449 0.400 . 1 . . . . . . . . 6631 1 789 . 1 1 62 62 LYS HB2 H 1 1.767 0.020 . 2 . . . . . . . . 6631 1 790 . 1 1 62 62 LYS HB3 H 1 1.931 0.020 . 2 . . . . . . . . 6631 1 791 . 1 1 62 62 LYS CG C 13 24.984 0.400 . 1 . . . . . . . . 6631 1 792 . 1 1 62 62 LYS HG2 H 1 1.444 0.020 . 2 . . . . . . . . 6631 1 793 . 1 1 62 62 LYS HG3 H 1 1.615 0.020 . 2 . . . . . . . . 6631 1 794 . 1 1 62 62 LYS CD C 13 32.088 0.400 . 1 . . . . . . . . 6631 1 795 . 1 1 62 62 LYS HD2 H 1 2.246 0.020 . 2 . . . . . . . . 6631 1 796 . 1 1 62 62 LYS HD3 H 1 1.932 0.020 . 2 . . . . . . . . 6631 1 797 . 1 1 62 62 LYS CE C 13 42.250 0.400 . 1 . . . . . . . . 6631 1 798 . 1 1 62 62 LYS HE2 H 1 3.033 0.020 . 2 . . . . . . . . 6631 1 799 . 1 1 62 62 LYS C C 13 176.760 0.400 . 1 . . . . . . . . 6631 1 800 . 1 1 63 63 ASP N N 15 121.448 0.400 . 1 . . . . . . . . 6631 1 801 . 1 1 63 63 ASP H H 1 8.380 0.020 . 1 . . . . . . . . 6631 1 802 . 1 1 63 63 ASP CA C 13 57.202 0.400 . 1 . . . . . . . . 6631 1 803 . 1 1 63 63 ASP HA H 1 4.116 0.020 . 1 . . . . . . . . 6631 1 804 . 1 1 63 63 ASP CB C 13 41.459 0.400 . 1 . . . . . . . . 6631 1 805 . 1 1 63 63 ASP HB2 H 1 2.513 0.020 . 2 . . . . . . . . 6631 1 806 . 1 1 63 63 ASP HB3 H 1 2.600 0.020 . 2 . . . . . . . . 6631 1 807 . 1 1 63 63 ASP C C 13 175.830 0.400 . 1 . . . . . . . . 6631 1 808 . 1 1 64 64 SER N N 15 106.374 0.400 . 1 . . . . . . . . 6631 1 809 . 1 1 64 64 SER H H 1 7.487 0.020 . 1 . . . . . . . . 6631 1 810 . 1 1 64 64 SER CA C 13 58.100 0.400 . 1 . . . . . . . . 6631 1 811 . 1 1 64 64 SER HA H 1 4.348 0.020 . 1 . . . . . . . . 6631 1 812 . 1 1 64 64 SER CB C 13 62.640 0.400 . 1 . . . . . . . . 6631 1 813 . 1 1 64 64 SER HB2 H 1 3.735 0.020 . 2 . . . . . . . . 6631 1 814 . 1 1 64 64 SER HB3 H 1 3.983 0.020 . 2 . . . . . . . . 6631 1 815 . 1 1 64 64 SER C C 13 175.020 0.400 . 1 . . . . . . . . 6631 1 816 . 1 1 65 65 ASN N N 15 120.368 0.400 . 1 . . . . . . . . 6631 1 817 . 1 1 65 65 ASN H H 1 7.493 0.020 . 1 . . . . . . . . 6631 1 818 . 1 1 65 65 ASN CA C 13 51.467 0.400 . 1 . . . . . . . . 6631 1 819 . 1 1 65 65 ASN HA H 1 4.945 0.020 . 1 . . . . . . . . 6631 1 820 . 1 1 65 65 ASN CB C 13 40.760 0.400 . 1 . . . . . . . . 6631 1 821 . 1 1 65 65 ASN HB2 H 1 2.754 0.020 . 2 . . . . . . . . 6631 1 822 . 1 1 65 65 ASN HB3 H 1 2.272 0.020 . 2 . . . . . . . . 6631 1 823 . 1 1 65 65 ASN ND2 N 15 112.162 0.400 . 1 . . . . . . . . 6631 1 824 . 1 1 65 65 ASN HD21 H 1 6.392 0.020 . 2 . . . . . . . . 6631 1 825 . 1 1 65 65 ASN HD22 H 1 6.829 0.020 . 2 . . . . . . . . 6631 1 826 . 1 1 65 65 ASN C C 13 173.770 0.400 . 1 . . . . . . . . 6631 1 827 . 1 1 66 66 SER N N 15 114.475 0.400 . 1 . . . . . . . . 6631 1 828 . 1 1 66 66 SER H H 1 8.315 0.020 . 1 . . . . . . . . 6631 1 829 . 1 1 66 66 SER CA C 13 56.601 0.400 . 1 . . . . . . . . 6631 1 830 . 1 1 66 66 SER HA H 1 5.211 0.020 . 1 . . . . . . . . 6631 1 831 . 1 1 66 66 SER CB C 13 65.623 0.400 . 1 . . . . . . . . 6631 1 832 . 1 1 66 66 SER HB2 H 1 3.870 0.020 . 2 . . . . . . . . 6631 1 833 . 1 1 66 66 SER HB3 H 1 4.343 0.020 . 2 . . . . . . . . 6631 1 834 . 1 1 66 66 SER C C 13 174.890 0.400 . 1 . . . . . . . . 6631 1 835 . 1 1 67 67 LEU N N 15 119.074 0.400 . 1 . . . . . . . . 6631 1 836 . 1 1 67 67 LEU H H 1 8.113 0.020 . 1 . . . . . . . . 6631 1 837 . 1 1 67 67 LEU CA C 13 59.960 0.400 . 1 . . . . . . . . 6631 1 838 . 1 1 67 67 LEU HA H 1 4.074 0.020 . 1 . . . . . . . . 6631 1 839 . 1 1 67 67 LEU CB C 13 40.386 0.400 . 1 . . . . . . . . 6631 1 840 . 1 1 67 67 LEU HB2 H 1 1.593 0.020 . 2 . . . . . . . . 6631 1 841 . 1 1 67 67 LEU HB3 H 1 1.996 0.020 . 2 . . . . . . . . 6631 1 842 . 1 1 67 67 LEU CG C 13 28.692 0.400 . 1 . . . . . . . . 6631 1 843 . 1 1 67 67 LEU HG H 1 1.859 0.020 . 1 . . . . . . . . 6631 1 844 . 1 1 67 67 LEU HD11 H 1 0.733 0.020 . 2 . . . . . . . . 6631 1 845 . 1 1 67 67 LEU HD12 H 1 0.733 0.020 . 2 . . . . . . . . 6631 1 846 . 1 1 67 67 LEU HD13 H 1 0.733 0.020 . 2 . . . . . . . . 6631 1 847 . 1 1 67 67 LEU HD21 H 1 0.685 0.020 . 2 . . . . . . . . 6631 1 848 . 1 1 67 67 LEU HD22 H 1 0.685 0.020 . 2 . . . . . . . . 6631 1 849 . 1 1 67 67 LEU HD23 H 1 0.685 0.020 . 2 . . . . . . . . 6631 1 850 . 1 1 67 67 LEU CD1 C 13 25.073 0.400 . 1 . . . . . . . . 6631 1 851 . 1 1 67 67 LEU CD2 C 13 24.134 0.400 . 1 . . . . . . . . 6631 1 852 . 1 1 67 67 LEU C C 13 180.910 0.400 . 1 . . . . . . . . 6631 1 853 . 1 1 68 68 ALA N N 15 119.844 0.400 . 1 . . . . . . . . 6631 1 854 . 1 1 68 68 ALA H H 1 8.359 0.020 . 1 . . . . . . . . 6631 1 855 . 1 1 68 68 ALA CA C 13 54.390 0.400 . 1 . . . . . . . . 6631 1 856 . 1 1 68 68 ALA HA H 1 4.027 0.020 . 1 . . . . . . . . 6631 1 857 . 1 1 68 68 ALA HB1 H 1 1.351 0.020 . 1 . . . . . . . . 6631 1 858 . 1 1 68 68 ALA HB2 H 1 1.351 0.020 . 1 . . . . . . . . 6631 1 859 . 1 1 68 68 ALA HB3 H 1 1.351 0.020 . 1 . . . . . . . . 6631 1 860 . 1 1 68 68 ALA CB C 13 18.198 0.400 . 1 . . . . . . . . 6631 1 861 . 1 1 68 68 ALA C C 13 181.100 0.400 . 1 . . . . . . . . 6631 1 862 . 1 1 69 69 TYR N N 15 123.050 0.400 . 1 . . . . . . . . 6631 1 863 . 1 1 69 69 TYR H H 1 8.115 0.020 . 1 . . . . . . . . 6631 1 864 . 1 1 69 69 TYR CA C 13 61.309 0.400 . 1 . . . . . . . . 6631 1 865 . 1 1 69 69 TYR HA H 1 3.785 0.020 . 1 . . . . . . . . 6631 1 866 . 1 1 69 69 TYR CB C 13 37.991 0.400 . 1 . . . . . . . . 6631 1 867 . 1 1 69 69 TYR HB3 H 1 3.032 0.020 . 2 . . . . . . . . 6631 1 868 . 1 1 69 69 TYR CD1 C 13 133.000 0.400 . 1 . . . . . . . . 6631 1 869 . 1 1 69 69 TYR HD1 H 1 5.921 0.020 . 1 . . . . . . . . 6631 1 870 . 1 1 69 69 TYR CE1 C 13 118.030 0.400 . 1 . . . . . . . . 6631 1 871 . 1 1 69 69 TYR HE1 H 1 6.518 0.020 . 1 . . . . . . . . 6631 1 872 . 1 1 69 69 TYR HE2 H 1 6.518 0.020 . 1 . . . . . . . . 6631 1 873 . 1 1 69 69 TYR HD2 H 1 5.921 0.020 . 1 . . . . . . . . 6631 1 874 . 1 1 69 69 TYR C C 13 176.600 0.400 . 1 . . . . . . . . 6631 1 875 . 1 1 70 70 TYR N N 15 113.139 0.400 . 1 . . . . . . . . 6631 1 876 . 1 1 70 70 TYR H H 1 6.993 0.020 . 1 . . . . . . . . 6631 1 877 . 1 1 70 70 TYR CA C 13 58.820 0.400 . 1 . . . . . . . . 6631 1 878 . 1 1 70 70 TYR HA H 1 4.381 0.020 . 1 . . . . . . . . 6631 1 879 . 1 1 70 70 TYR CB C 13 39.060 0.400 . 1 . . . . . . . . 6631 1 880 . 1 1 70 70 TYR HB2 H 1 2.534 0.020 . 2 . . . . . . . . 6631 1 881 . 1 1 70 70 TYR HB3 H 1 3.631 0.020 . 2 . . . . . . . . 6631 1 882 . 1 1 70 70 TYR C C 13 174.050 0.400 . 1 . . . . . . . . 6631 1 883 . 1 1 71 71 ASN N N 15 115.889 0.400 . 1 . . . . . . . . 6631 1 884 . 1 1 71 71 ASN H H 1 8.379 0.020 . 1 . . . . . . . . 6631 1 885 . 1 1 71 71 ASN CA C 13 53.857 0.400 . 1 . . . . . . . . 6631 1 886 . 1 1 71 71 ASN HA H 1 4.360 0.020 . 1 . . . . . . . . 6631 1 887 . 1 1 71 71 ASN CB C 13 37.025 0.400 . 1 . . . . . . . . 6631 1 888 . 1 1 71 71 ASN HB2 H 1 3.039 0.020 . 2 . . . . . . . . 6631 1 889 . 1 1 71 71 ASN HB3 H 1 2.770 0.020 . 2 . . . . . . . . 6631 1 890 . 1 1 71 71 ASN ND2 N 15 113.114 0.400 . 1 . . . . . . . . 6631 1 891 . 1 1 71 71 ASN HD21 H 1 6.749 0.020 . 2 . . . . . . . . 6631 1 892 . 1 1 71 71 ASN HD22 H 1 7.551 0.020 . 2 . . . . . . . . 6631 1 893 . 1 1 71 71 ASN C C 13 174.750 0.400 . 1 . . . . . . . . 6631 1 894 . 1 1 72 72 MET N N 15 114.780 0.400 . 1 . . . . . . . . 6631 1 895 . 1 1 72 72 MET H H 1 6.800 0.020 . 1 . . . . . . . . 6631 1 896 . 1 1 72 72 MET CA C 13 58.217 0.400 . 1 . . . . . . . . 6631 1 897 . 1 1 72 72 MET HA H 1 3.995 0.020 . 1 . . . . . . . . 6631 1 898 . 1 1 72 72 MET CB C 13 32.823 0.400 . 1 . . . . . . . . 6631 1 899 . 1 1 72 72 MET HB2 H 1 1.443 0.020 . 2 . . . . . . . . 6631 1 900 . 1 1 72 72 MET HB3 H 1 1.459 0.020 . 2 . . . . . . . . 6631 1 901 . 1 1 72 72 MET CG C 13 33.511 0.400 . 1 . . . . . . . . 6631 1 902 . 1 1 72 72 MET HG2 H 1 1.754 0.020 . 2 . . . . . . . . 6631 1 903 . 1 1 72 72 MET HG3 H 1 2.274 0.020 . 2 . . . . . . . . 6631 1 904 . 1 1 72 72 MET HE1 H 1 1.245 0.020 . 1 . . . . . . . . 6631 1 905 . 1 1 72 72 MET HE2 H 1 1.245 0.020 . 1 . . . . . . . . 6631 1 906 . 1 1 72 72 MET HE3 H 1 1.245 0.020 . 1 . . . . . . . . 6631 1 907 . 1 1 72 72 MET CE C 13 16.884 0.400 . 1 . . . . . . . . 6631 1 908 . 1 1 72 72 MET C C 13 173.490 0.400 . 1 . . . . . . . . 6631 1 909 . 1 1 73 73 ALA N N 15 122.684 0.400 . 1 . . . . . . . . 6631 1 910 . 1 1 73 73 ALA H H 1 7.499 0.020 . 1 . . . . . . . . 6631 1 911 . 1 1 73 73 ALA CA C 13 49.839 0.400 . 1 . . . . . . . . 6631 1 912 . 1 1 73 73 ALA HA H 1 4.543 0.020 . 1 . . . . . . . . 6631 1 913 . 1 1 73 73 ALA HB1 H 1 1.396 0.020 . 1 . . . . . . . . 6631 1 914 . 1 1 73 73 ALA HB2 H 1 1.396 0.020 . 1 . . . . . . . . 6631 1 915 . 1 1 73 73 ALA HB3 H 1 1.396 0.020 . 1 . . . . . . . . 6631 1 916 . 1 1 73 73 ALA CB C 13 22.065 0.400 . 1 . . . . . . . . 6631 1 917 . 1 1 73 73 ALA C C 13 175.820 0.400 . 1 . . . . . . . . 6631 1 918 . 1 1 74 74 ASN N N 15 115.705 0.400 . 1 . . . . . . . . 6631 1 919 . 1 1 74 74 ASN H H 1 8.372 0.020 . 1 . . . . . . . . 6631 1 920 . 1 1 74 74 ASN CA C 13 54.990 0.400 . 1 . . . . . . . . 6631 1 921 . 1 1 74 74 ASN HA H 1 4.698 0.020 . 1 . . . . . . . . 6631 1 922 . 1 1 74 74 ASN CB C 13 38.570 0.400 . 1 . . . . . . . . 6631 1 923 . 1 1 74 74 ASN HB2 H 1 2.755 0.020 . 2 . . . . . . . . 6631 1 924 . 1 1 74 74 ASN ND2 N 15 114.059 0.400 . 1 . . . . . . . . 6631 1 925 . 1 1 74 74 ASN HD21 H 1 7.145 0.020 . 2 . . . . . . . . 6631 1 926 . 1 1 74 74 ASN HD22 H 1 7.692 0.020 . 2 . . . . . . . . 6631 1 927 . 1 1 74 74 ASN C C 13 177.530 0.400 . 1 . . . . . . . . 6631 1 928 . 1 1 75 75 GLY N N 15 113.421 0.400 . 1 . . . . . . . . 6631 1 929 . 1 1 75 75 GLY H H 1 9.363 0.020 . 1 . . . . . . . . 6631 1 930 . 1 1 75 75 GLY CA C 13 44.968 0.400 . 1 . . . . . . . . 6631 1 931 . 1 1 75 75 GLY HA2 H 1 4.242 0.020 . 2 . . . . . . . . 6631 1 932 . 1 1 75 75 GLY HA3 H 1 3.449 0.020 . 2 . . . . . . . . 6631 1 933 . 1 1 75 75 GLY C C 13 173.760 0.400 . 1 . . . . . . . . 6631 1 934 . 1 1 76 76 ALA N N 15 124.222 0.400 . 1 . . . . . . . . 6631 1 935 . 1 1 76 76 ALA H H 1 7.936 0.020 . 1 . . . . . . . . 6631 1 936 . 1 1 76 76 ALA CA C 13 53.216 0.400 . 1 . . . . . . . . 6631 1 937 . 1 1 76 76 ALA HA H 1 4.273 0.020 . 1 . . . . . . . . 6631 1 938 . 1 1 76 76 ALA HB1 H 1 1.577 0.020 . 1 . . . . . . . . 6631 1 939 . 1 1 76 76 ALA HB2 H 1 1.577 0.020 . 1 . . . . . . . . 6631 1 940 . 1 1 76 76 ALA HB3 H 1 1.577 0.020 . 1 . . . . . . . . 6631 1 941 . 1 1 76 76 ALA CB C 13 19.734 0.400 . 1 . . . . . . . . 6631 1 942 . 1 1 76 76 ALA C C 13 174.970 0.400 . 1 . . . . . . . . 6631 1 943 . 1 1 77 77 VAL N N 15 120.382 0.400 . 1 . . . . . . . . 6631 1 944 . 1 1 77 77 VAL H H 1 8.384 0.020 . 1 . . . . . . . . 6631 1 945 . 1 1 77 77 VAL CA C 13 61.500 0.400 . 1 . . . . . . . . 6631 1 946 . 1 1 77 77 VAL HA H 1 4.730 0.020 . 1 . . . . . . . . 6631 1 947 . 1 1 77 77 VAL CB C 13 33.315 0.400 . 1 . . . . . . . . 6631 1 948 . 1 1 77 77 VAL HB H 1 1.973 0.020 . 1 . . . . . . . . 6631 1 949 . 1 1 77 77 VAL HG11 H 1 0.540 0.020 . 2 . . . . . . . . 6631 1 950 . 1 1 77 77 VAL HG12 H 1 0.540 0.020 . 2 . . . . . . . . 6631 1 951 . 1 1 77 77 VAL HG13 H 1 0.540 0.020 . 2 . . . . . . . . 6631 1 952 . 1 1 77 77 VAL HG21 H 1 0.960 0.020 . 2 . . . . . . . . 6631 1 953 . 1 1 77 77 VAL HG22 H 1 0.960 0.020 . 2 . . . . . . . . 6631 1 954 . 1 1 77 77 VAL HG23 H 1 0.960 0.020 . 2 . . . . . . . . 6631 1 955 . 1 1 77 77 VAL CG1 C 13 20.834 0.400 . 1 . . . . . . . . 6631 1 956 . 1 1 77 77 VAL CG2 C 13 21.592 0.400 . 1 . . . . . . . . 6631 1 957 . 1 1 77 77 VAL C C 13 175.020 0.400 . 1 . . . . . . . . 6631 1 958 . 1 1 78 78 ILE N N 15 128.420 0.400 . 1 . . . . . . . . 6631 1 959 . 1 1 78 78 ILE H H 1 9.302 0.020 . 1 . . . . . . . . 6631 1 960 . 1 1 78 78 ILE CA C 13 59.010 0.400 . 1 . . . . . . . . 6631 1 961 . 1 1 78 78 ILE HA H 1 4.746 0.020 . 1 . . . . . . . . 6631 1 962 . 1 1 78 78 ILE CB C 13 40.043 0.400 . 1 . . . . . . . . 6631 1 963 . 1 1 78 78 ILE HB H 1 1.822 0.020 . 1 . . . . . . . . 6631 1 964 . 1 1 78 78 ILE HG21 H 1 0.822 0.020 . 1 . . . . . . . . 6631 1 965 . 1 1 78 78 ILE HG22 H 1 0.822 0.020 . 1 . . . . . . . . 6631 1 966 . 1 1 78 78 ILE HG23 H 1 0.822 0.020 . 1 . . . . . . . . 6631 1 967 . 1 1 78 78 ILE CG2 C 13 19.882 0.400 . 1 . . . . . . . . 6631 1 968 . 1 1 78 78 ILE CG1 C 13 28.944 0.400 . 1 . . . . . . . . 6631 1 969 . 1 1 78 78 ILE HG12 H 1 1.454 0.020 . 2 . . . . . . . . 6631 1 970 . 1 1 78 78 ILE HG13 H 1 1.059 0.020 . 2 . . . . . . . . 6631 1 971 . 1 1 78 78 ILE HD11 H 1 0.706 0.020 . 1 . . . . . . . . 6631 1 972 . 1 1 78 78 ILE HD12 H 1 0.706 0.020 . 1 . . . . . . . . 6631 1 973 . 1 1 78 78 ILE HD13 H 1 0.706 0.020 . 1 . . . . . . . . 6631 1 974 . 1 1 78 78 ILE CD1 C 13 13.882 0.400 . 1 . . . . . . . . 6631 1 975 . 1 1 78 78 ILE C C 13 174.790 0.400 . 1 . . . . . . . . 6631 1 976 . 1 1 79 79 HIS N N 15 126.339 0.400 . 1 . . . . . . . . 6631 1 977 . 1 1 79 79 HIS H H 1 9.421 0.020 . 1 . . . . . . . . 6631 1 978 . 1 1 79 79 HIS CA C 13 57.040 0.400 . 1 . . . . . . . . 6631 1 979 . 1 1 79 79 HIS HA H 1 4.673 0.020 . 1 . . . . . . . . 6631 1 980 . 1 1 79 79 HIS CB C 13 32.390 0.400 . 1 . . . . . . . . 6631 1 981 . 1 1 79 79 HIS HB2 H 1 2.948 0.020 . 2 . . . . . . . . 6631 1 982 . 1 1 79 79 HIS CD2 C 13 119.000 0.400 . 1 . . . . . . . . 6631 1 983 . 1 1 79 79 HIS HD2 H 1 6.970 0.020 . 1 . . . . . . . . 6631 1 984 . 1 1 79 79 HIS C C 13 174.700 0.400 . 1 . . . . . . . . 6631 1 985 . 1 1 80 80 LEU N N 15 125.995 0.400 . 1 . . . . . . . . 6631 1 986 . 1 1 80 80 LEU H H 1 7.742 0.020 . 1 . . . . . . . . 6631 1 987 . 1 1 80 80 LEU CA C 13 54.090 0.400 . 1 . . . . . . . . 6631 1 988 . 1 1 80 80 LEU HA H 1 4.940 0.020 . 1 . . . . . . . . 6631 1 989 . 1 1 80 80 LEU CB C 13 44.009 0.400 . 1 . . . . . . . . 6631 1 990 . 1 1 80 80 LEU HB2 H 1 2.021 0.020 . 2 . . . . . . . . 6631 1 991 . 1 1 80 80 LEU HB3 H 1 1.060 0.020 . 2 . . . . . . . . 6631 1 992 . 1 1 80 80 LEU CG C 13 26.518 0.400 . 1 . . . . . . . . 6631 1 993 . 1 1 80 80 LEU HG H 1 1.161 0.020 . 1 . . . . . . . . 6631 1 994 . 1 1 80 80 LEU HD11 H 1 0.975 0.020 . 2 . . . . . . . . 6631 1 995 . 1 1 80 80 LEU HD12 H 1 0.975 0.020 . 2 . . . . . . . . 6631 1 996 . 1 1 80 80 LEU HD13 H 1 0.975 0.020 . 2 . . . . . . . . 6631 1 997 . 1 1 80 80 LEU HD21 H 1 0.912 0.020 . 2 . . . . . . . . 6631 1 998 . 1 1 80 80 LEU HD22 H 1 0.912 0.020 . 2 . . . . . . . . 6631 1 999 . 1 1 80 80 LEU HD23 H 1 0.912 0.020 . 2 . . . . . . . . 6631 1 1000 . 1 1 80 80 LEU CD1 C 13 22.904 0.400 . 1 . . . . . . . . 6631 1 1001 . 1 1 80 80 LEU CD2 C 13 26.434 0.400 . 1 . . . . . . . . 6631 1 1002 . 1 1 80 80 LEU C C 13 173.390 0.400 . 1 . . . . . . . . 6631 1 1003 . 1 1 81 81 ALA N N 15 128.900 0.400 . 1 . . . . . . . . 6631 1 1004 . 1 1 81 81 ALA H H 1 9.164 0.020 . 1 . . . . . . . . 6631 1 1005 . 1 1 81 81 ALA CA C 13 50.000 0.400 . 1 . . . . . . . . 6631 1 1006 . 1 1 81 81 ALA HA H 1 4.681 0.020 . 1 . . . . . . . . 6631 1 1007 . 1 1 81 81 ALA HB1 H 1 1.382 0.020 . 1 . . . . . . . . 6631 1 1008 . 1 1 81 81 ALA HB2 H 1 1.382 0.020 . 1 . . . . . . . . 6631 1 1009 . 1 1 81 81 ALA HB3 H 1 1.382 0.020 . 1 . . . . . . . . 6631 1 1010 . 1 1 81 81 ALA CB C 13 22.596 0.400 . 1 . . . . . . . . 6631 1 1011 . 1 1 81 81 ALA C C 13 174.870 0.400 . 1 . . . . . . . . 6631 1 1012 . 1 1 82 82 LEU N N 15 120.370 0.400 . 1 . . . . . . . . 6631 1 1013 . 1 1 82 82 LEU H H 1 8.400 0.020 . 1 . . . . . . . . 6631 1 1014 . 1 1 82 82 LEU CA C 13 54.736 0.400 . 1 . . . . . . . . 6631 1 1015 . 1 1 82 82 LEU HA H 1 4.497 0.020 . 1 . . . . . . . . 6631 1 1016 . 1 1 82 82 LEU CB C 13 43.156 0.400 . 1 . . . . . . . . 6631 1 1017 . 1 1 82 82 LEU HB2 H 1 1.819 0.020 . 2 . . . . . . . . 6631 1 1018 . 1 1 82 82 LEU HB3 H 1 1.337 0.020 . 2 . . . . . . . . 6631 1 1019 . 1 1 82 82 LEU CG C 13 28.269 0.400 . 1 . . . . . . . . 6631 1 1020 . 1 1 82 82 LEU HG H 1 1.651 0.020 . 1 . . . . . . . . 6631 1 1021 . 1 1 82 82 LEU HD11 H 1 1.109 0.020 . 2 . . . . . . . . 6631 1 1022 . 1 1 82 82 LEU HD12 H 1 1.109 0.020 . 2 . . . . . . . . 6631 1 1023 . 1 1 82 82 LEU HD13 H 1 1.109 0.020 . 2 . . . . . . . . 6631 1 1024 . 1 1 82 82 LEU HD21 H 1 1.037 0.020 . 2 . . . . . . . . 6631 1 1025 . 1 1 82 82 LEU HD22 H 1 1.037 0.020 . 2 . . . . . . . . 6631 1 1026 . 1 1 82 82 LEU HD23 H 1 1.037 0.020 . 2 . . . . . . . . 6631 1 1027 . 1 1 82 82 LEU CD1 C 13 24.431 0.400 . 1 . . . . . . . . 6631 1 1028 . 1 1 82 82 LEU CD2 C 13 26.055 0.400 . 1 . . . . . . . . 6631 1 1029 . 1 1 82 82 LEU C C 13 176.850 0.400 . 1 . . . . . . . . 6631 1 1030 . 1 1 83 83 LYS N N 15 126.074 0.400 . 1 . . . . . . . . 6631 1 1031 . 1 1 83 83 LYS H H 1 8.408 0.020 . 1 . . . . . . . . 6631 1 1032 . 1 1 83 83 LYS CA C 13 57.039 0.400 . 1 . . . . . . . . 6631 1 1033 . 1 1 83 83 LYS HA H 1 3.992 0.020 . 1 . . . . . . . . 6631 1 1034 . 1 1 83 83 LYS CB C 13 33.228 0.400 . 1 . . . . . . . . 6631 1 1035 . 1 1 83 83 LYS HB2 H 1 1.316 0.020 . 2 . . . . . . . . 6631 1 1036 . 1 1 83 83 LYS HB3 H 1 1.621 0.020 . 2 . . . . . . . . 6631 1 1037 . 1 1 83 83 LYS CG C 13 25.222 0.400 . 1 . . . . . . . . 6631 1 1038 . 1 1 83 83 LYS HG2 H 1 1.259 0.020 . 2 . . . . . . . . 6631 1 1039 . 1 1 83 83 LYS CD C 13 29.378 0.400 . 1 . . . . . . . . 6631 1 1040 . 1 1 83 83 LYS HD2 H 1 1.596 0.020 . 2 . . . . . . . . 6631 1 1041 . 1 1 83 83 LYS CE C 13 42.029 0.400 . 1 . . . . . . . . 6631 1 1042 . 1 1 83 83 LYS HE2 H 1 2.890 0.020 . 2 . . . . . . . . 6631 1 1043 . 1 1 83 83 LYS C C 13 175.660 0.400 . 1 . . . . . . . . 6631 1 stop_ save_