data_5244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5244 _Entry.Title ; Backbone Assignment of Endonuclease V from Bacteriophage T4 with deuterium labeling ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-12-26 _Entry.Accession_date 2001-12-26 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Hee-Chul Ahn . . . 5244 2 Sung-Yun Lee . . . 5244 3 Bong-Jin Lee . . . 5244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 253 5244 '13C chemical shifts' 395 5244 '15N chemical shifts' 131 5244 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 . . 2002-08-22 2001-12-26 original author . 5244 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012553 _Citation.DOI . _Citation.PubMed_ID 12018491 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone Assignments for Endonuclease V from Bacteriophage T4 with deuterium labeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 4 _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 383 _Citation.Page_last 384 _Citation.Year 2002 _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 Hee-Chul Ahn . . . 5244 1 2 Sung-Yun Lee . . . 5244 1 3 Bong-Jin Lee . . . 5244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_endo_V _Assembly.Sf_category assembly _Assembly.Sf_framecode system_endo_V _Assembly.Entry_ID 5244 _Assembly.ID 1 _Assembly.Name 'endonuclease V' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.25.1 _Assembly.Details ; 2END is crystal structure of endonuclease V from Bacteriophage T4. 1VAS is crystal structure of mutant endonuclease V (E23Q) complexed with DNA substrate. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5244 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 'endonuclease V' 1 $endonuclease_V . . . native . . . . . 5244 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 yes PDB 2END . . . . . 'Crystal structure of endonuclease V from Bacteriophage T4' 5244 1 yes PDB 1VAS . . . . . 'Crystal structure of mutant endonuclease V (E23Q) complexed with DNA substrate' 5244 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'endonuclease V' system 5244 1 'endo V' abbreviation 5244 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA repair' 5244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_endonuclease_V _Entity.Sf_category entity _Entity.Sf_framecode endonuclease_V _Entity.Entry_ID 5244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'endonuclease V' _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 ; MTRINLTLVSELADQHLMAE YRELPRVFGAVRKHVANGKR VRDFKISPTFILGAGHVTFF YDKLEFLRKRQIELIAECLK RGFNIKDTTVQDISDIPQEF RGDYIPHEASIAISQARLDE KIAQRPTWYKYYGKAIYA ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 1ENI . "Crystal Structure Of A Pyrimidine Dimer Specific Excision Repair Enzyme From Bacteriophage T4: Refinement At 1.45 Angstroms And" . . . . . 100.00 138 99.28 100.00 3.78e-96 . . . . 5244 1 2 no PDB 1ENJ . "Crystal Structure Of A Pyrimidine Dimer Specific Excision Repair Enzyme From Bacteriophage T4: Refinement At 1.45 Angstroms And" . . . . . 100.00 138 99.28 100.00 3.18e-96 . . . . 5244 1 3 no PDB 1ENK . "Crystal Structure Of A Pyrimidine Dimer Specific Excision Repair Enzyme From Bacteriophage T4: Refinement At 1.45 Angstroms And" . . . . . 100.00 138 99.28 100.00 3.83e-96 . . . . 5244 1 4 no PDB 1VAS . "Atomic Model Of A Pyrimidine Dimer Specific Excision Repair Enzyme Complexed With A Dna Substrate: Structural Basis For Damaged" . . . . . 99.28 137 99.27 100.00 2.70e-95 . . . . 5244 1 5 no PDB 2END . "Crystal Structure Of A Pyrimidine Dimer Specific Excision Repair Enzyme From Bacteriophage T4: Refinement At 1.45 Angstroms And" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 6 no PDB 2FCC . "Crystal Structure Of T4 Pyrimidine Dimer Glycosylase (T4-Pdg) Covalently Complexed With A Dna Substrate Containing Abasic Site" . . . . . 99.28 137 100.00 100.00 1.00e-95 . . . . 5244 1 7 no EMBL CAA28215 . "unnamed protein product [Enterobacteria phage T4]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 8 no GB AAA72721 . "T4 endonuclease V [synthetic construct]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 9 no GB AAC42096 . "T4 endonuclease V (T4endV) [synthetic construct]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 10 no GB AAD42563 . "DenV endonuclease V, N-glycosylase UV repair enzyme [Enterobacteria phage T4]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 11 no GB ABX11097 . "DenV endonuclease V N-glycosylase UV repair enzyme [Enterobacteria phage JS98]" . . . . . 100.00 138 97.83 99.28 2.95e-95 . . . . 5244 1 12 no GB ACL78337 . "DenV endonuclease V, N-glycosylase UV repair enzyme [Enterobacteria phage JS10]" . . . . . 100.00 138 97.83 99.28 2.95e-95 . . . . 5244 1 13 no REF NP_049733 . "DenV endonuclease V, N-glycosylase UV repair enzyme [Enterobacteria phage T4]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 14 no REF YP_001595242 . "DenV endonuclease V N-glycosylase UV repair enzyme [Enterobacteria phage JS98]" . . . . . 100.00 138 97.83 99.28 2.95e-95 . . . . 5244 1 15 no REF YP_002922460 . "DenV endonuclease V, N-glycosylase UV repair enzyme [Enterobacteria phage JS10]" . . . . . 100.00 138 97.83 99.28 2.95e-95 . . . . 5244 1 16 no REF YP_003734258 . "denV gene product [Enterobacteria phage IME08]" . . . . . 100.00 143 97.10 98.55 1.75e-94 . . . . 5244 1 17 no SP P04418 . "RecName: Full=Endonuclease V [Enterobacteria phage T4]" . . . . . 100.00 138 100.00 100.00 9.66e-97 . . . . 5244 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'endonuclease V' common 5244 1 'endo V' abbreviation 5244 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 . MET . 5244 1 2 . THR . 5244 1 3 . ARG . 5244 1 4 . ILE . 5244 1 5 . ASN . 5244 1 6 . LEU . 5244 1 7 . THR . 5244 1 8 . LEU . 5244 1 9 . VAL . 5244 1 10 . SER . 5244 1 11 . GLU . 5244 1 12 . LEU . 5244 1 13 . ALA . 5244 1 14 . ASP . 5244 1 15 . GLN . 5244 1 16 . HIS . 5244 1 17 . LEU . 5244 1 18 . MET . 5244 1 19 . ALA . 5244 1 20 . GLU . 5244 1 21 . TYR . 5244 1 22 . ARG . 5244 1 23 . GLU . 5244 1 24 . LEU . 5244 1 25 . PRO . 5244 1 26 . ARG . 5244 1 27 . VAL . 5244 1 28 . PHE . 5244 1 29 . GLY . 5244 1 30 . ALA . 5244 1 31 . VAL . 5244 1 32 . ARG . 5244 1 33 . LYS . 5244 1 34 . HIS . 5244 1 35 . VAL . 5244 1 36 . ALA . 5244 1 37 . ASN . 5244 1 38 . GLY . 5244 1 39 . LYS . 5244 1 40 . ARG . 5244 1 41 . VAL . 5244 1 42 . ARG . 5244 1 43 . ASP . 5244 1 44 . PHE . 5244 1 45 . LYS . 5244 1 46 . ILE . 5244 1 47 . SER . 5244 1 48 . PRO . 5244 1 49 . THR . 5244 1 50 . PHE . 5244 1 51 . ILE . 5244 1 52 . LEU . 5244 1 53 . GLY . 5244 1 54 . ALA . 5244 1 55 . GLY . 5244 1 56 . HIS . 5244 1 57 . VAL . 5244 1 58 . THR . 5244 1 59 . PHE . 5244 1 60 . PHE . 5244 1 61 . TYR . 5244 1 62 . ASP . 5244 1 63 . LYS . 5244 1 64 . LEU . 5244 1 65 . GLU . 5244 1 66 . PHE . 5244 1 67 . LEU . 5244 1 68 . ARG . 5244 1 69 . LYS . 5244 1 70 . ARG . 5244 1 71 . GLN . 5244 1 72 . ILE . 5244 1 73 . GLU . 5244 1 74 . LEU . 5244 1 75 . ILE . 5244 1 76 . ALA . 5244 1 77 . GLU . 5244 1 78 . CYS . 5244 1 79 . LEU . 5244 1 80 . LYS . 5244 1 81 . ARG . 5244 1 82 . GLY . 5244 1 83 . PHE . 5244 1 84 . ASN . 5244 1 85 . ILE . 5244 1 86 . LYS . 5244 1 87 . ASP . 5244 1 88 . THR . 5244 1 89 . THR . 5244 1 90 . VAL . 5244 1 91 . GLN . 5244 1 92 . ASP . 5244 1 93 . ILE . 5244 1 94 . SER . 5244 1 95 . ASP . 5244 1 96 . ILE . 5244 1 97 . PRO . 5244 1 98 . GLN . 5244 1 99 . GLU . 5244 1 100 . PHE . 5244 1 101 . ARG . 5244 1 102 . GLY . 5244 1 103 . ASP . 5244 1 104 . TYR . 5244 1 105 . ILE . 5244 1 106 . PRO . 5244 1 107 . HIS . 5244 1 108 . GLU . 5244 1 109 . ALA . 5244 1 110 . SER . 5244 1 111 . ILE . 5244 1 112 . ALA . 5244 1 113 . ILE . 5244 1 114 . SER . 5244 1 115 . GLN . 5244 1 116 . ALA . 5244 1 117 . ARG . 5244 1 118 . LEU . 5244 1 119 . ASP . 5244 1 120 . GLU . 5244 1 121 . LYS . 5244 1 122 . ILE . 5244 1 123 . ALA . 5244 1 124 . GLN . 5244 1 125 . ARG . 5244 1 126 . PRO . 5244 1 127 . THR . 5244 1 128 . TRP . 5244 1 129 . TYR . 5244 1 130 . LYS . 5244 1 131 . TYR . 5244 1 132 . TYR . 5244 1 133 . GLY . 5244 1 134 . LYS . 5244 1 135 . ALA . 5244 1 136 . ILE . 5244 1 137 . TYR . 5244 1 138 . ALA . 5244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5244 1 . THR 2 2 5244 1 . ARG 3 3 5244 1 . ILE 4 4 5244 1 . ASN 5 5 5244 1 . LEU 6 6 5244 1 . THR 7 7 5244 1 . LEU 8 8 5244 1 . VAL 9 9 5244 1 . SER 10 10 5244 1 . GLU 11 11 5244 1 . LEU 12 12 5244 1 . ALA 13 13 5244 1 . ASP 14 14 5244 1 . GLN 15 15 5244 1 . HIS 16 16 5244 1 . LEU 17 17 5244 1 . MET 18 18 5244 1 . ALA 19 19 5244 1 . GLU 20 20 5244 1 . TYR 21 21 5244 1 . ARG 22 22 5244 1 . GLU 23 23 5244 1 . LEU 24 24 5244 1 . PRO 25 25 5244 1 . ARG 26 26 5244 1 . VAL 27 27 5244 1 . PHE 28 28 5244 1 . GLY 29 29 5244 1 . ALA 30 30 5244 1 . VAL 31 31 5244 1 . ARG 32 32 5244 1 . LYS 33 33 5244 1 . HIS 34 34 5244 1 . VAL 35 35 5244 1 . ALA 36 36 5244 1 . ASN 37 37 5244 1 . GLY 38 38 5244 1 . LYS 39 39 5244 1 . ARG 40 40 5244 1 . VAL 41 41 5244 1 . ARG 42 42 5244 1 . ASP 43 43 5244 1 . PHE 44 44 5244 1 . LYS 45 45 5244 1 . ILE 46 46 5244 1 . SER 47 47 5244 1 . PRO 48 48 5244 1 . THR 49 49 5244 1 . PHE 50 50 5244 1 . ILE 51 51 5244 1 . LEU 52 52 5244 1 . GLY 53 53 5244 1 . ALA 54 54 5244 1 . GLY 55 55 5244 1 . HIS 56 56 5244 1 . VAL 57 57 5244 1 . THR 58 58 5244 1 . PHE 59 59 5244 1 . PHE 60 60 5244 1 . TYR 61 61 5244 1 . ASP 62 62 5244 1 . LYS 63 63 5244 1 . LEU 64 64 5244 1 . GLU 65 65 5244 1 . PHE 66 66 5244 1 . LEU 67 67 5244 1 . ARG 68 68 5244 1 . LYS 69 69 5244 1 . ARG 70 70 5244 1 . GLN 71 71 5244 1 . ILE 72 72 5244 1 . GLU 73 73 5244 1 . LEU 74 74 5244 1 . ILE 75 75 5244 1 . ALA 76 76 5244 1 . GLU 77 77 5244 1 . CYS 78 78 5244 1 . LEU 79 79 5244 1 . LYS 80 80 5244 1 . ARG 81 81 5244 1 . GLY 82 82 5244 1 . PHE 83 83 5244 1 . ASN 84 84 5244 1 . ILE 85 85 5244 1 . LYS 86 86 5244 1 . ASP 87 87 5244 1 . THR 88 88 5244 1 . THR 89 89 5244 1 . VAL 90 90 5244 1 . GLN 91 91 5244 1 . ASP 92 92 5244 1 . ILE 93 93 5244 1 . SER 94 94 5244 1 . ASP 95 95 5244 1 . ILE 96 96 5244 1 . PRO 97 97 5244 1 . GLN 98 98 5244 1 . GLU 99 99 5244 1 . PHE 100 100 5244 1 . ARG 101 101 5244 1 . GLY 102 102 5244 1 . ASP 103 103 5244 1 . TYR 104 104 5244 1 . ILE 105 105 5244 1 . PRO 106 106 5244 1 . HIS 107 107 5244 1 . GLU 108 108 5244 1 . ALA 109 109 5244 1 . SER 110 110 5244 1 . ILE 111 111 5244 1 . ALA 112 112 5244 1 . ILE 113 113 5244 1 . SER 114 114 5244 1 . GLN 115 115 5244 1 . ALA 116 116 5244 1 . ARG 117 117 5244 1 . LEU 118 118 5244 1 . ASP 119 119 5244 1 . GLU 120 120 5244 1 . LYS 121 121 5244 1 . ILE 122 122 5244 1 . ALA 123 123 5244 1 . GLN 124 124 5244 1 . ARG 125 125 5244 1 . PRO 126 126 5244 1 . THR 127 127 5244 1 . TRP 128 128 5244 1 . TYR 129 129 5244 1 . LYS 130 130 5244 1 . TYR 131 131 5244 1 . TYR 132 132 5244 1 . GLY 133 133 5244 1 . LYS 134 134 5244 1 . ALA 135 135 5244 1 . ILE 136 136 5244 1 . TYR 137 137 5244 1 . ALA 138 138 5244 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 5244 _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 $endonuclease_V . 10665 . . 'T4-like phages Bacteriophage T4' T4 . . Viruses . 'T4-like phages' 'Bacteriophage T4' . . . . . . . . . . . . . . . . . . . . . 5244 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 5244 _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 $endonuclease_V . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL 21 (DE 3)' . . . . . . . . . . . . plasmid . . pET-15b . . . . . . 5244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5244 _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 'endonuclease V' '[U-15N]-Ala, Asp, Arg, Gly, Lys, Ser, Thr, Tyr, Val' . . 1 $endonuclease_V . . 1.0 . . mM . . . . 5244 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5244 _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 'endonuclease V' [U-15N] . . 1 $endonuclease_V . . 2.0 . . mM . . . . 5244 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5244 _Sample.ID 3 _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 'endonuclease V' '[U-70% 2H ; U-15N]' . . 1 $endonuclease_V . . 1.5 . . mM . . . . 5244 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5244 _Sample.ID 4 _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 'endonuclease V' '[U-90% 2H; U-13C; U-15N]' . . 1 $endonuclease_V . . 1.5 . . mM . . . . 5244 4 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 5244 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample has a tendency to become gelation above 293K.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5244 1 temperature 293 1 K 5244 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5244 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5244 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 5244 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5244 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5244 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 5244 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5244 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5244 _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_1 Bruker DRX . 500 . . . 5244 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5244 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 5244 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 2 '3D 1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 3 '3D 1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 4 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 5 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 6 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 7 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 8 '3D HN(CO)CACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 1 9 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5244 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 5244 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _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 5244 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-15N TOCSY' _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HN(CO)CA' _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCACB' _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HN(CO)CACB' _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5244 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNCO' _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 5244 _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 . indirect 1.0 . . . . . . . . . 5244 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5244 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5244 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _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 . 5244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR CA C 13 62.067 0.2 . 1 . . . . . . . . 5244 1 2 . 1 1 2 2 THR CB C 13 69.019 0.2 . 1 . . . . . . . . 5244 1 3 . 1 1 2 2 THR C C 13 171.21 0.2 . 1 . . . . . . . . 5244 1 4 . 1 1 3 3 ARG N N 15 129.481 0.05 . 1 . . . . . . . . 5244 1 5 . 1 1 3 3 ARG H H 1 8.252 0.02 . 1 . . . . . . . . 5244 1 6 . 1 1 3 3 ARG CA C 13 53.304 0.2 . 1 . . . . . . . . 5244 1 7 . 1 1 3 3 ARG HA H 1 4.586 0.02 . 1 . . . . . . . . 5244 1 8 . 1 1 3 3 ARG CB C 13 30.02 0.2 . 1 . . . . . . . . 5244 1 9 . 1 1 3 3 ARG C C 13 173.033 0.2 . 1 . . . . . . . . 5244 1 10 . 1 1 4 4 ILE N N 15 131.361 0.05 . 1 . . . . . . . . 5244 1 11 . 1 1 4 4 ILE H H 1 11.494 0.02 . 1 . . . . . . . . 5244 1 12 . 1 1 4 4 ILE CA C 13 57.459 0.2 . 1 . . . . . . . . 5244 1 13 . 1 1 4 4 ILE CB C 13 34.959 0.2 . 1 . . . . . . . . 5244 1 14 . 1 1 4 4 ILE C C 13 176.666 0.2 . 1 . . . . . . . . 5244 1 15 . 1 1 5 5 ASN N N 15 124.705 0.05 . 1 . . . . . . . . 5244 1 16 . 1 1 5 5 ASN H H 1 9.071 0.02 . 1 . . . . . . . . 5244 1 17 . 1 1 5 5 ASN CA C 13 50.279 0.2 . 1 . . . . . . . . 5244 1 18 . 1 1 5 5 ASN HA H 1 4.611 0.02 . 1 . . . . . . . . 5244 1 19 . 1 1 5 5 ASN CB C 13 39.825 0.2 . 1 . . . . . . . . 5244 1 20 . 1 1 5 5 ASN C C 13 172.173 0.2 . 1 . . . . . . . . 5244 1 21 . 1 1 6 6 LEU N N 15 109.992 0.05 . 1 . . . . . . . . 5244 1 22 . 1 1 6 6 LEU H H 1 7.748 0.02 . 1 . . . . . . . . 5244 1 23 . 1 1 6 6 LEU CA C 13 51.386 0.2 . 1 . . . . . . . . 5244 1 24 . 1 1 6 6 LEU HA H 1 3.823 0.02 . 1 . . . . . . . . 5244 1 25 . 1 1 6 6 LEU CB C 13 43.355 0.2 . 1 . . . . . . . . 5244 1 26 . 1 1 6 6 LEU C C 13 177.577 0.2 . 1 . . . . . . . . 5244 1 27 . 1 1 7 7 THR N N 15 108.787 0.05 . 1 . . . . . . . . 5244 1 28 . 1 1 7 7 THR H H 1 7.003 0.02 . 1 . . . . . . . . 5244 1 29 . 1 1 7 7 THR CA C 13 60.141 0.2 . 1 . . . . . . . . 5244 1 30 . 1 1 7 7 THR HA H 1 4.067 0.02 . 1 . . . . . . . . 5244 1 31 . 1 1 7 7 THR CB C 13 67.7 0.2 . 1 . . . . . . . . 5244 1 32 . 1 1 7 7 THR C C 13 174.71 0.2 . 1 . . . . . . . . 5244 1 33 . 1 1 8 8 LEU N N 15 120.247 0.05 . 1 . . . . . . . . 5244 1 34 . 1 1 8 8 LEU H H 1 8.297 0.02 . 1 . . . . . . . . 5244 1 35 . 1 1 8 8 LEU CA C 13 54.684 0.2 . 1 . . . . . . . . 5244 1 36 . 1 1 8 8 LEU HA H 1 4.205 0.02 . 1 . . . . . . . . 5244 1 37 . 1 1 8 8 LEU CB C 13 39.984 0.2 . 1 . . . . . . . . 5244 1 38 . 1 1 8 8 LEU C C 13 180.328 0.2 . 1 . . . . . . . . 5244 1 39 . 1 1 9 9 VAL N N 15 127.227 0.05 . 1 . . . . . . . . 5244 1 40 . 1 1 9 9 VAL H H 1 9.06 0.02 . 1 . . . . . . . . 5244 1 41 . 1 1 9 9 VAL CA C 13 64.605 0.2 . 1 . . . . . . . . 5244 1 42 . 1 1 9 9 VAL HA H 1 3.604 0.02 . 1 . . . . . . . . 5244 1 43 . 1 1 9 9 VAL CB C 13 29.441 0.2 . 1 . . . . . . . . 5244 1 44 . 1 1 9 9 VAL C C 13 177.717 0.2 . 1 . . . . . . . . 5244 1 45 . 1 1 10 10 SER N N 15 110.061 0.05 . 1 . . . . . . . . 5244 1 46 . 1 1 10 10 SER H H 1 8.019 0.02 . 1 . . . . . . . . 5244 1 47 . 1 1 10 10 SER CA C 13 59.129 0.2 . 1 . . . . . . . . 5244 1 48 . 1 1 10 10 SER HA H 1 4.072 0.02 . 1 . . . . . . . . 5244 1 49 . 1 1 10 10 SER C C 13 175.166 0.2 . 1 . . . . . . . . 5244 1 50 . 1 1 11 11 GLU N N 15 118.802 0.05 . 1 . . . . . . . . 5244 1 51 . 1 1 11 11 GLU H H 1 7.423 0.02 . 1 . . . . . . . . 5244 1 52 . 1 1 11 11 GLU CA C 13 54.632 0.2 . 1 . . . . . . . . 5244 1 53 . 1 1 11 11 GLU HA H 1 4.441 0.02 . 1 . . . . . . . . 5244 1 54 . 1 1 11 11 GLU CB C 13 29.143 0.2 . 1 . . . . . . . . 5244 1 55 . 1 1 11 11 GLU C C 13 176.14 0.2 . 1 . . . . . . . . 5244 1 56 . 1 1 12 12 LEU N N 15 121.558 0.05 . 1 . . . . . . . . 5244 1 57 . 1 1 12 12 LEU H H 1 7.405 0.02 . 1 . . . . . . . . 5244 1 58 . 1 1 12 12 LEU CA C 13 54.394 0.2 . 1 . . . . . . . . 5244 1 59 . 1 1 12 12 LEU HA H 1 4.451 0.02 . 1 . . . . . . . . 5244 1 60 . 1 1 12 12 LEU CB C 13 42.407 0.2 . 1 . . . . . . . . 5244 1 61 . 1 1 12 12 LEU C C 13 178.669 0.2 . 1 . . . . . . . . 5244 1 62 . 1 1 13 13 ALA N N 15 124.956 0.05 . 1 . . . . . . . . 5244 1 63 . 1 1 13 13 ALA H H 1 10.375 0.02 . 1 . . . . . . . . 5244 1 64 . 1 1 13 13 ALA CA C 13 52.309 0.2 . 1 . . . . . . . . 5244 1 65 . 1 1 13 13 ALA CB C 13 17.412 0.2 . 1 . . . . . . . . 5244 1 66 . 1 1 13 13 ALA C C 13 178.855 0.2 . 1 . . . . . . . . 5244 1 67 . 1 1 14 14 ASP N N 15 124.254 0.05 . 1 . . . . . . . . 5244 1 68 . 1 1 14 14 ASP H H 1 10.439 0.02 . 1 . . . . . . . . 5244 1 69 . 1 1 14 14 ASP CA C 13 57.757 0.2 . 1 . . . . . . . . 5244 1 70 . 1 1 14 14 ASP HA H 1 4.361 0.02 . 1 . . . . . . . . 5244 1 71 . 1 1 14 14 ASP CB C 13 38.879 0.2 . 1 . . . . . . . . 5244 1 72 . 1 1 14 14 ASP C C 13 178.532 0.2 . 1 . . . . . . . . 5244 1 73 . 1 1 15 15 GLN N N 15 114.285 0.05 . 1 . . . . . . . . 5244 1 74 . 1 1 15 15 GLN H H 1 9.28 0.02 . 1 . . . . . . . . 5244 1 75 . 1 1 15 15 GLN CA C 13 59.741 0.2 . 1 . . . . . . . . 5244 1 76 . 1 1 15 15 GLN HA H 1 3.952 0.02 . 1 . . . . . . . . 5244 1 77 . 1 1 15 15 GLN CB C 13 25.244 0.2 . 1 . . . . . . . . 5244 1 78 . 1 1 15 15 GLN C C 13 180.316 0.2 . 1 . . . . . . . . 5244 1 79 . 1 1 16 16 HIS N N 15 119.083 0.05 . 1 . . . . . . . . 5244 1 80 . 1 1 16 16 HIS H H 1 7.188 0.02 . 1 . . . . . . . . 5244 1 81 . 1 1 16 16 HIS CA C 13 57.034 0.2 . 1 . . . . . . . . 5244 1 82 . 1 1 16 16 HIS CB C 13 31.096 0.2 . 1 . . . . . . . . 5244 1 83 . 1 1 16 16 HIS C C 13 178.025 0.2 . 1 . . . . . . . . 5244 1 84 . 1 1 17 17 LEU N N 15 124.333 0.05 . 1 . . . . . . . . 5244 1 85 . 1 1 17 17 LEU H H 1 9.048 0.02 . 1 . . . . . . . . 5244 1 86 . 1 1 17 17 LEU CA C 13 57.333 0.2 . 1 . . . . . . . . 5244 1 87 . 1 1 17 17 LEU HA H 1 4.262 0.02 . 1 . . . . . . . . 5244 1 88 . 1 1 17 17 LEU CB C 13 39.187 0.2 . 1 . . . . . . . . 5244 1 89 . 1 1 17 17 LEU C C 13 177.174 0.2 . 1 . . . . . . . . 5244 1 90 . 1 1 18 18 MET N N 15 115.207 0.05 . 1 . . . . . . . . 5244 1 91 . 1 1 18 18 MET H H 1 8.237 0.02 . 1 . . . . . . . . 5244 1 92 . 1 1 18 18 MET CA C 13 56.077 0.2 . 1 . . . . . . . . 5244 1 93 . 1 1 18 18 MET HA H 1 4.415 0.02 . 1 . . . . . . . . 5244 1 94 . 1 1 18 18 MET CB C 13 29.795 0.2 . 1 . . . . . . . . 5244 1 95 . 1 1 18 18 MET C C 13 178.412 0.2 . 1 . . . . . . . . 5244 1 96 . 1 1 19 19 ALA N N 15 118.818 0.05 . 1 . . . . . . . . 5244 1 97 . 1 1 19 19 ALA H H 1 7.575 0.02 . 1 . . . . . . . . 5244 1 98 . 1 1 19 19 ALA CA C 13 54.133 0.2 . 1 . . . . . . . . 5244 1 99 . 1 1 19 19 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 5244 1 100 . 1 1 19 19 ALA CB C 13 16.316 0.2 . 1 . . . . . . . . 5244 1 101 . 1 1 19 19 ALA C C 13 178.318 0.2 . 1 . . . . . . . . 5244 1 102 . 1 1 20 20 GLU N N 15 120.641 0.05 . 1 . . . . . . . . 5244 1 103 . 1 1 20 20 GLU H H 1 7.977 0.02 . 1 . . . . . . . . 5244 1 104 . 1 1 20 20 GLU CA C 13 59.556 0.2 . 1 . . . . . . . . 5244 1 105 . 1 1 20 20 GLU HA H 1 4.239 0.02 . 1 . . . . . . . . 5244 1 106 . 1 1 20 20 GLU CB C 13 27.174 0.2 . 1 . . . . . . . . 5244 1 107 . 1 1 20 20 GLU C C 13 178.545 0.2 . 1 . . . . . . . . 5244 1 108 . 1 1 21 21 TYR N N 15 117.921 0.05 . 1 . . . . . . . . 5244 1 109 . 1 1 21 21 TYR H H 1 8.421 0.02 . 1 . . . . . . . . 5244 1 110 . 1 1 21 21 TYR CA C 13 59.673 0.2 . 1 . . . . . . . . 5244 1 111 . 1 1 21 21 TYR HA H 1 4.262 0.02 . 1 . . . . . . . . 5244 1 112 . 1 1 21 21 TYR CB C 13 37.034 0.2 . 1 . . . . . . . . 5244 1 113 . 1 1 21 21 TYR C C 13 177.379 0.2 . 1 . . . . . . . . 5244 1 114 . 1 1 22 22 ARG N N 15 116.318 0.05 . 1 . . . . . . . . 5244 1 115 . 1 1 22 22 ARG H H 1 7.728 0.02 . 1 . . . . . . . . 5244 1 116 . 1 1 22 22 ARG CA C 13 57.289 0.2 . 1 . . . . . . . . 5244 1 117 . 1 1 22 22 ARG HA H 1 3.728 0.02 . 1 . . . . . . . . 5244 1 118 . 1 1 22 22 ARG CB C 13 29.322 0.2 . 1 . . . . . . . . 5244 1 119 . 1 1 22 22 ARG C C 13 178.436 0.2 . 1 . . . . . . . . 5244 1 120 . 1 1 23 23 GLU N N 15 117.812 0.05 . 1 . . . . . . . . 5244 1 121 . 1 1 23 23 GLU H H 1 8.548 0.02 . 1 . . . . . . . . 5244 1 122 . 1 1 23 23 GLU CA C 13 57.145 0.2 . 1 . . . . . . . . 5244 1 123 . 1 1 23 23 GLU HA H 1 3.56 0.02 . 1 . . . . . . . . 5244 1 124 . 1 1 23 23 GLU CB C 13 29.25 0.2 . 1 . . . . . . . . 5244 1 125 . 1 1 23 23 GLU C C 13 177.81 0.2 . 1 . . . . . . . . 5244 1 126 . 1 1 24 24 LEU N N 15 122.205 0.05 . 1 . . . . . . . . 5244 1 127 . 1 1 24 24 LEU H H 1 8.888 0.02 . 1 . . . . . . . . 5244 1 128 . 1 1 24 24 LEU CA C 13 60.256 0.2 . 1 . . . . . . . . 5244 1 129 . 1 1 24 24 LEU HA H 1 3.901 0.02 . 1 . . . . . . . . 5244 1 130 . 1 1 24 24 LEU CB C 13 37.944 0.2 . 1 . . . . . . . . 5244 1 131 . 1 1 25 25 PRO CA C 13 64.082 0.2 . 1 . . . . . . . . 5244 1 132 . 1 1 25 25 PRO CB C 13 29.408 0.2 . 1 . . . . . . . . 5244 1 133 . 1 1 25 25 PRO C C 13 178.649 0.2 . 1 . . . . . . . . 5244 1 134 . 1 1 26 26 ARG N N 15 117.437 0.05 . 1 . . . . . . . . 5244 1 135 . 1 1 26 26 ARG H H 1 8.051 0.02 . 1 . . . . . . . . 5244 1 136 . 1 1 26 26 ARG CA C 13 56.749 0.2 . 1 . . . . . . . . 5244 1 137 . 1 1 26 26 ARG HA H 1 4.462 0.02 . 1 . . . . . . . . 5244 1 138 . 1 1 26 26 ARG CB C 13 26.659 0.2 . 1 . . . . . . . . 5244 1 139 . 1 1 26 26 ARG C C 13 179.224 0.2 . 1 . . . . . . . . 5244 1 140 . 1 1 27 27 VAL N N 15 118.268 0.05 . 1 . . . . . . . . 5244 1 141 . 1 1 27 27 VAL H H 1 8.177 0.02 . 1 . . . . . . . . 5244 1 142 . 1 1 27 27 VAL CA C 13 65.552 0.2 . 1 . . . . . . . . 5244 1 143 . 1 1 27 27 VAL HA H 1 3.51 0.02 . 1 . . . . . . . . 5244 1 144 . 1 1 27 27 VAL CB C 13 29.302 0.2 . 1 . . . . . . . . 5244 1 145 . 1 1 27 27 VAL C C 13 177.478 0.2 . 1 . . . . . . . . 5244 1 146 . 1 1 28 28 PHE N N 15 115.453 0.05 . 1 . . . . . . . . 5244 1 147 . 1 1 28 28 PHE H H 1 6.381 0.02 . 1 . . . . . . . . 5244 1 148 . 1 1 28 28 PHE CA C 13 58.025 0.2 . 1 . . . . . . . . 5244 1 149 . 1 1 28 28 PHE HA H 1 4.188 0.02 . 1 . . . . . . . . 5244 1 150 . 1 1 28 28 PHE CB C 13 36.331 0.2 . 1 . . . . . . . . 5244 1 151 . 1 1 28 28 PHE C C 13 178.126 0.2 . 1 . . . . . . . . 5244 1 152 . 1 1 29 29 GLY N N 15 102.572 0.05 . 1 . . . . . . . . 5244 1 153 . 1 1 29 29 GLY H H 1 7.469 0.02 . 1 . . . . . . . . 5244 1 154 . 1 1 29 29 GLY CA C 13 46.259 0.2 . 1 . . . . . . . . 5244 1 155 . 1 1 29 29 GLY HA3 H 1 3.762 0.02 . 2 . . . . . . . . 5244 1 156 . 1 1 29 29 GLY HA2 H 1 3.934 0.02 . 2 . . . . . . . . 5244 1 157 . 1 1 29 29 GLY C C 13 176.295 0.2 . 1 . . . . . . . . 5244 1 158 . 1 1 30 30 ALA N N 15 124.815 0.05 . 1 . . . . . . . . 5244 1 159 . 1 1 30 30 ALA H H 1 7.879 0.02 . 1 . . . . . . . . 5244 1 160 . 1 1 30 30 ALA CA C 13 53.519 0.2 . 1 . . . . . . . . 5244 1 161 . 1 1 30 30 ALA HA H 1 3.936 0.02 . 1 . . . . . . . . 5244 1 162 . 1 1 30 30 ALA CB C 13 16.102 0.2 . 1 . . . . . . . . 5244 1 163 . 1 1 30 30 ALA C C 13 179.874 0.2 . 1 . . . . . . . . 5244 1 164 . 1 1 31 31 VAL N N 15 117.396 0.05 . 1 . . . . . . . . 5244 1 165 . 1 1 31 31 VAL H H 1 7.862 0.02 . 1 . . . . . . . . 5244 1 166 . 1 1 31 31 VAL CA C 13 66.216 0.2 . 1 . . . . . . . . 5244 1 167 . 1 1 31 31 VAL HA H 1 2.96 0.02 . 1 . . . . . . . . 5244 1 168 . 1 1 31 31 VAL CB C 13 29.137 0.2 . 1 . . . . . . . . 5244 1 169 . 1 1 31 31 VAL C C 13 177.362 0.2 . 1 . . . . . . . . 5244 1 170 . 1 1 32 32 ARG N N 15 118.252 0.05 . 1 . . . . . . . . 5244 1 171 . 1 1 32 32 ARG H H 1 8.173 0.02 . 1 . . . . . . . . 5244 1 172 . 1 1 32 32 ARG CA C 13 60.279 0.2 . 1 . . . . . . . . 5244 1 173 . 1 1 32 32 ARG HA H 1 4.211 0.02 . 1 . . . . . . . . 5244 1 174 . 1 1 32 32 ARG CB C 13 28.158 0.2 . 1 . . . . . . . . 5244 1 175 . 1 1 32 32 ARG C C 13 179.308 0.2 . 1 . . . . . . . . 5244 1 176 . 1 1 33 33 LYS N N 15 119.795 0.05 . 1 . . . . . . . . 5244 1 177 . 1 1 33 33 LYS H H 1 7.518 0.02 . 1 . . . . . . . . 5244 1 178 . 1 1 33 33 LYS CA C 13 58.322 0.2 . 1 . . . . . . . . 5244 1 179 . 1 1 33 33 LYS HA H 1 3.939 0.02 . 1 . . . . . . . . 5244 1 180 . 1 1 33 33 LYS CB C 13 29.679 0.2 . 1 . . . . . . . . 5244 1 181 . 1 1 33 33 LYS C C 13 178.885 0.2 . 1 . . . . . . . . 5244 1 182 . 1 1 34 34 HIS N N 15 119.101 0.05 . 1 . . . . . . . . 5244 1 183 . 1 1 34 34 HIS H H 1 7.76 0.02 . 1 . . . . . . . . 5244 1 184 . 1 1 34 34 HIS CA C 13 58.463 0.2 . 1 . . . . . . . . 5244 1 185 . 1 1 34 34 HIS HA H 1 4.717 0.02 . 1 . . . . . . . . 5244 1 186 . 1 1 34 34 HIS CB C 13 29.049 0.2 . 1 . . . . . . . . 5244 1 187 . 1 1 34 34 HIS C C 13 179.555 0.2 . 1 . . . . . . . . 5244 1 188 . 1 1 35 35 VAL N N 15 122.061 0.05 . 1 . . . . . . . . 5244 1 189 . 1 1 35 35 VAL H H 1 8.969 0.02 . 1 . . . . . . . . 5244 1 190 . 1 1 35 35 VAL CA C 13 64.867 0.2 . 1 . . . . . . . . 5244 1 191 . 1 1 35 35 VAL HA H 1 3.892 0.02 . 1 . . . . . . . . 5244 1 192 . 1 1 35 35 VAL CB C 13 29.876 0.2 . 1 . . . . . . . . 5244 1 193 . 1 1 35 35 VAL C C 13 180.975 0.2 . 1 . . . . . . . . 5244 1 194 . 1 1 36 36 ALA N N 15 124.922 0.05 . 1 . . . . . . . . 5244 1 195 . 1 1 36 36 ALA H H 1 8.044 0.02 . 1 . . . . . . . . 5244 1 196 . 1 1 36 36 ALA CA C 13 53.632 0.2 . 1 . . . . . . . . 5244 1 197 . 1 1 36 36 ALA HA H 1 4.224 0.02 . 1 . . . . . . . . 5244 1 198 . 1 1 36 36 ALA CB C 13 15.892 0.2 . 1 . . . . . . . . 5244 1 199 . 1 1 36 36 ALA C C 13 178.633 0.2 . 1 . . . . . . . . 5244 1 200 . 1 1 37 37 ASN N N 15 115.183 0.05 . 1 . . . . . . . . 5244 1 201 . 1 1 37 37 ASN H H 1 7.55 0.02 . 1 . . . . . . . . 5244 1 202 . 1 1 37 37 ASN CA C 13 51.827 0.2 . 1 . . . . . . . . 5244 1 203 . 1 1 37 37 ASN HA H 1 4.721 0.02 . 1 . . . . . . . . 5244 1 204 . 1 1 37 37 ASN CB C 13 38.135 0.2 . 1 . . . . . . . . 5244 1 205 . 1 1 37 37 ASN C C 13 175.532 0.2 . 1 . . . . . . . . 5244 1 206 . 1 1 38 38 GLY N N 15 107.905 0.05 . 1 . . . . . . . . 5244 1 207 . 1 1 38 38 GLY H H 1 8.163 0.02 . 1 . . . . . . . . 5244 1 208 . 1 1 38 38 GLY CA C 13 45.066 0.2 . 1 . . . . . . . . 5244 1 209 . 1 1 38 38 GLY HA3 H 1 3.864 0.02 . 2 . . . . . . . . 5244 1 210 . 1 1 38 38 GLY HA2 H 1 4.198 0.02 . 2 . . . . . . . . 5244 1 211 . 1 1 38 38 GLY C C 13 174.985 0.2 . 1 . . . . . . . . 5244 1 212 . 1 1 39 39 LYS N N 15 118.75 0.05 . 1 . . . . . . . . 5244 1 213 . 1 1 39 39 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5244 1 214 . 1 1 39 39 LYS CA C 13 54.075 0.2 . 1 . . . . . . . . 5244 1 215 . 1 1 39 39 LYS HA H 1 4.445 0.02 . 1 . . . . . . . . 5244 1 216 . 1 1 39 39 LYS CB C 13 31.409 0.2 . 1 . . . . . . . . 5244 1 217 . 1 1 39 39 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 5244 1 218 . 1 1 40 40 ARG N N 15 120.617 0.05 . 1 . . . . . . . . 5244 1 219 . 1 1 40 40 ARG H H 1 9.245 0.02 . 1 . . . . . . . . 5244 1 220 . 1 1 40 40 ARG CA C 13 52.283 0.2 . 1 . . . . . . . . 5244 1 221 . 1 1 40 40 ARG CB C 13 30.945 0.2 . 1 . . . . . . . . 5244 1 222 . 1 1 40 40 ARG C C 13 177.529 0.2 . 1 . . . . . . . . 5244 1 223 . 1 1 41 41 VAL N N 15 123.371 0.05 . 1 . . . . . . . . 5244 1 224 . 1 1 41 41 VAL H H 1 8.444 0.02 . 1 . . . . . . . . 5244 1 225 . 1 1 41 41 VAL CA C 13 66.289 0.2 . 1 . . . . . . . . 5244 1 226 . 1 1 41 41 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 5244 1 227 . 1 1 41 41 VAL CB C 13 29.396 0.2 . 1 . . . . . . . . 5244 1 228 . 1 1 41 41 VAL C C 13 178.113 0.2 . 1 . . . . . . . . 5244 1 229 . 1 1 42 42 ARG N N 15 114.528 0.05 . 1 . . . . . . . . 5244 1 230 . 1 1 42 42 ARG H H 1 7.949 0.02 . 1 . . . . . . . . 5244 1 231 . 1 1 42 42 ARG CA C 13 55.775 0.2 . 1 . . . . . . . . 5244 1 232 . 1 1 42 42 ARG HA H 1 4.295 0.02 . 1 . . . . . . . . 5244 1 233 . 1 1 42 42 ARG CB C 13 27.039 0.2 . 1 . . . . . . . . 5244 1 234 . 1 1 42 42 ARG C C 13 176.327 0.2 . 1 . . . . . . . . 5244 1 235 . 1 1 43 43 ASP N N 15 119.198 0.05 . 1 . . . . . . . . 5244 1 236 . 1 1 43 43 ASP H H 1 7.931 0.02 . 1 . . . . . . . . 5244 1 237 . 1 1 43 43 ASP CA C 13 54.86 0.2 . 1 . . . . . . . . 5244 1 238 . 1 1 43 43 ASP HA H 1 4.345 0.02 . 1 . . . . . . . . 5244 1 239 . 1 1 43 43 ASP CB C 13 39.97 0.2 . 1 . . . . . . . . 5244 1 240 . 1 1 43 43 ASP C C 13 175.097 0.2 . 1 . . . . . . . . 5244 1 241 . 1 1 44 44 PHE N N 15 118.045 0.05 . 1 . . . . . . . . 5244 1 242 . 1 1 44 44 PHE H H 1 7.634 0.02 . 1 . . . . . . . . 5244 1 243 . 1 1 44 44 PHE CA C 13 56.603 0.2 . 1 . . . . . . . . 5244 1 244 . 1 1 44 44 PHE HA H 1 4.557 0.02 . 1 . . . . . . . . 5244 1 245 . 1 1 44 44 PHE CB C 13 40.096 0.2 . 1 . . . . . . . . 5244 1 246 . 1 1 44 44 PHE C C 13 174.366 0.2 . 1 . . . . . . . . 5244 1 247 . 1 1 45 45 LYS N N 15 123.583 0.05 . 1 . . . . . . . . 5244 1 248 . 1 1 45 45 LYS H H 1 8.683 0.02 . 1 . . . . . . . . 5244 1 249 . 1 1 45 45 LYS CA C 13 53.777 0.2 . 1 . . . . . . . . 5244 1 250 . 1 1 45 45 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 5244 1 251 . 1 1 45 45 LYS CB C 13 28.472 0.2 . 1 . . . . . . . . 5244 1 252 . 1 1 45 45 LYS C C 13 174.887 0.2 . 1 . . . . . . . . 5244 1 253 . 1 1 46 46 ILE N N 15 127.242 0.05 . 1 . . . . . . . . 5244 1 254 . 1 1 46 46 ILE H H 1 8.107 0.02 . 1 . . . . . . . . 5244 1 255 . 1 1 46 46 ILE CA C 13 60.368 0.2 . 1 . . . . . . . . 5244 1 256 . 1 1 46 46 ILE HA H 1 3.66 0.02 . 1 . . . . . . . . 5244 1 257 . 1 1 46 46 ILE CB C 13 36.639 0.2 . 1 . . . . . . . . 5244 1 258 . 1 1 46 46 ILE C C 13 176.591 0.2 . 1 . . . . . . . . 5244 1 259 . 1 1 47 47 SER N N 15 124.418 0.05 . 1 . . . . . . . . 5244 1 260 . 1 1 47 47 SER H H 1 8.584 0.02 . 1 . . . . . . . . 5244 1 261 . 1 1 47 47 SER CA C 13 55.336 0.2 . 1 . . . . . . . . 5244 1 262 . 1 1 47 47 SER HA H 1 4.562 0.02 . 1 . . . . . . . . 5244 1 263 . 1 1 47 47 SER CB C 13 62.55 0.2 . 1 . . . . . . . . 5244 1 264 . 1 1 48 48 PRO CA C 13 63.114 0.2 . 1 . . . . . . . . 5244 1 265 . 1 1 48 48 PRO CB C 13 30.278 0.2 . 1 . . . . . . . . 5244 1 266 . 1 1 48 48 PRO C C 13 176.436 0.2 . 1 . . . . . . . . 5244 1 267 . 1 1 49 49 THR N N 15 108.109 0.05 . 1 . . . . . . . . 5244 1 268 . 1 1 49 49 THR H H 1 7.302 0.02 . 1 . . . . . . . . 5244 1 269 . 1 1 49 49 THR CA C 13 57.996 0.2 . 1 . . . . . . . . 5244 1 270 . 1 1 49 49 THR CB C 13 70.205 0.2 . 1 . . . . . . . . 5244 1 271 . 1 1 49 49 THR C C 13 172.573 0.2 . 1 . . . . . . . . 5244 1 272 . 1 1 50 50 PHE N N 15 126.26 0.05 . 1 . . . . . . . . 5244 1 273 . 1 1 50 50 PHE H H 1 8.043 0.02 . 1 . . . . . . . . 5244 1 274 . 1 1 50 50 PHE CA C 13 59.121 0.2 . 1 . . . . . . . . 5244 1 275 . 1 1 50 50 PHE HA H 1 3.929 0.02 . 1 . . . . . . . . 5244 1 276 . 1 1 50 50 PHE CB C 13 37.156 0.2 . 1 . . . . . . . . 5244 1 277 . 1 1 50 50 PHE C C 13 173.326 0.2 . 1 . . . . . . . . 5244 1 278 . 1 1 51 51 ILE N N 15 120.906 0.05 . 1 . . . . . . . . 5244 1 279 . 1 1 51 51 ILE H H 1 5.284 0.02 . 1 . . . . . . . . 5244 1 280 . 1 1 51 51 ILE CA C 13 57.508 0.2 . 1 . . . . . . . . 5244 1 281 . 1 1 51 51 ILE HA H 1 4.091 0.02 . 1 . . . . . . . . 5244 1 282 . 1 1 51 51 ILE CB C 13 39.843 0.2 . 1 . . . . . . . . 5244 1 283 . 1 1 51 51 ILE C C 13 174.074 0.2 . 1 . . . . . . . . 5244 1 284 . 1 1 52 52 LEU N N 15 119.123 0.05 . 1 . . . . . . . . 5244 1 285 . 1 1 52 52 LEU H H 1 8.205 0.02 . 1 . . . . . . . . 5244 1 286 . 1 1 52 52 LEU CA C 13 53.343 0.2 . 1 . . . . . . . . 5244 1 287 . 1 1 52 52 LEU HA H 1 4.079 0.02 . 1 . . . . . . . . 5244 1 288 . 1 1 52 52 LEU CB C 13 41.584 0.2 . 1 . . . . . . . . 5244 1 289 . 1 1 52 52 LEU C C 13 177.428 0.2 . 1 . . . . . . . . 5244 1 290 . 1 1 53 53 GLY N N 15 108.335 0.05 . 1 . . . . . . . . 5244 1 291 . 1 1 53 53 GLY H H 1 7.906 0.02 . 1 . . . . . . . . 5244 1 292 . 1 1 53 53 GLY CA C 13 43.588 0.2 . 1 . . . . . . . . 5244 1 293 . 1 1 53 53 GLY HA3 H 1 3.803 0.02 . 2 . . . . . . . . 5244 1 294 . 1 1 53 53 GLY HA2 H 1 3.935 0.02 . 2 . . . . . . . . 5244 1 295 . 1 1 53 53 GLY C C 13 173.712 0.2 . 1 . . . . . . . . 5244 1 296 . 1 1 54 54 ALA N N 15 127.07 0.05 . 1 . . . . . . . . 5244 1 297 . 1 1 54 54 ALA H H 1 8.563 0.02 . 1 . . . . . . . . 5244 1 298 . 1 1 54 54 ALA CA C 13 53.455 0.2 . 1 . . . . . . . . 5244 1 299 . 1 1 54 54 ALA HA H 1 4.64 0.02 . 1 . . . . . . . . 5244 1 300 . 1 1 54 54 ALA CB C 13 16.317 0.2 . 1 . . . . . . . . 5244 1 301 . 1 1 54 54 ALA C C 13 178.991 0.2 . 1 . . . . . . . . 5244 1 302 . 1 1 55 55 GLY N N 15 110.309 0.05 . 1 . . . . . . . . 5244 1 303 . 1 1 55 55 GLY H H 1 8.843 0.02 . 1 . . . . . . . . 5244 1 304 . 1 1 55 55 GLY CA C 13 44.455 0.2 . 1 . . . . . . . . 5244 1 305 . 1 1 55 55 GLY HA3 H 1 3.837 0.02 . 2 . . . . . . . . 5244 1 306 . 1 1 55 55 GLY HA2 H 1 4.094 0.02 . 2 . . . . . . . . 5244 1 307 . 1 1 55 55 GLY C C 13 174.913 0.2 . 1 . . . . . . . . 5244 1 308 . 1 1 56 56 HIS N N 15 122.226 0.05 . 1 . . . . . . . . 5244 1 309 . 1 1 56 56 HIS H H 1 8.28 0.02 . 1 . . . . . . . . 5244 1 310 . 1 1 56 56 HIS CA C 13 59.435 0.2 . 1 . . . . . . . . 5244 1 311 . 1 1 56 56 HIS HA H 1 3.907 0.02 . 1 . . . . . . . . 5244 1 312 . 1 1 56 56 HIS CB C 13 28.614 0.2 . 1 . . . . . . . . 5244 1 313 . 1 1 56 56 HIS C C 13 174.67 0.2 . 1 . . . . . . . . 5244 1 314 . 1 1 57 57 VAL N N 15 114.518 0.05 . 1 . . . . . . . . 5244 1 315 . 1 1 57 57 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 5244 1 316 . 1 1 57 57 VAL CA C 13 65.855 0.2 . 1 . . . . . . . . 5244 1 317 . 1 1 57 57 VAL HA H 1 3.552 0.02 . 1 . . . . . . . . 5244 1 318 . 1 1 57 57 VAL CB C 13 29.388 0.2 . 1 . . . . . . . . 5244 1 319 . 1 1 57 57 VAL C C 13 177.908 0.2 . 1 . . . . . . . . 5244 1 320 . 1 1 58 58 THR N N 15 113.714 0.05 . 1 . . . . . . . . 5244 1 321 . 1 1 58 58 THR H H 1 7.241 0.02 . 1 . . . . . . . . 5244 1 322 . 1 1 58 58 THR CA C 13 63.234 0.2 . 1 . . . . . . . . 5244 1 323 . 1 1 58 58 THR HA H 1 2.141 0.02 . 1 . . . . . . . . 5244 1 324 . 1 1 58 58 THR CB C 13 67.056 0.2 . 1 . . . . . . . . 5244 1 325 . 1 1 58 58 THR C C 13 175.126 0.2 . 1 . . . . . . . . 5244 1 326 . 1 1 59 59 PHE N N 15 118.834 0.05 . 1 . . . . . . . . 5244 1 327 . 1 1 59 59 PHE H H 1 7.497 0.02 . 1 . . . . . . . . 5244 1 328 . 1 1 59 59 PHE CA C 13 59.376 0.2 . 1 . . . . . . . . 5244 1 329 . 1 1 59 59 PHE HA H 1 3.874 0.02 . 1 . . . . . . . . 5244 1 330 . 1 1 59 59 PHE CB C 13 37.154 0.2 . 1 . . . . . . . . 5244 1 331 . 1 1 59 59 PHE C C 13 174.27 0.2 . 1 . . . . . . . . 5244 1 332 . 1 1 60 60 PHE N N 15 110.233 0.05 . 1 . . . . . . . . 5244 1 333 . 1 1 60 60 PHE H H 1 7.664 0.02 . 1 . . . . . . . . 5244 1 334 . 1 1 60 60 PHE CA C 13 58.307 0.2 . 1 . . . . . . . . 5244 1 335 . 1 1 60 60 PHE HA H 1 4.015 0.02 . 1 . . . . . . . . 5244 1 336 . 1 1 60 60 PHE CB C 13 38.13 0.2 . 1 . . . . . . . . 5244 1 337 . 1 1 60 60 PHE C C 13 176.662 0.2 . 1 . . . . . . . . 5244 1 338 . 1 1 61 61 TYR N N 15 120.153 0.05 . 1 . . . . . . . . 5244 1 339 . 1 1 61 61 TYR H H 1 8.249 0.02 . 1 . . . . . . . . 5244 1 340 . 1 1 61 61 TYR CA C 13 57.423 0.2 . 1 . . . . . . . . 5244 1 341 . 1 1 61 61 TYR CB C 13 34.858 0.2 . 1 . . . . . . . . 5244 1 342 . 1 1 61 61 TYR C C 13 174.103 0.2 . 1 . . . . . . . . 5244 1 343 . 1 1 62 62 ASP N N 15 108.976 0.05 . 1 . . . . . . . . 5244 1 344 . 1 1 62 62 ASP H H 1 7.301 0.02 . 1 . . . . . . . . 5244 1 345 . 1 1 62 62 ASP CA C 13 51.361 0.2 . 1 . . . . . . . . 5244 1 346 . 1 1 62 62 ASP HA H 1 4.252 0.02 . 1 . . . . . . . . 5244 1 347 . 1 1 62 62 ASP CB C 13 38.85 0.2 . 1 . . . . . . . . 5244 1 348 . 1 1 62 62 ASP C C 13 176.607 0.2 . 1 . . . . . . . . 5244 1 349 . 1 1 63 63 LYS N N 15 120.892 0.05 . 1 . . . . . . . . 5244 1 350 . 1 1 63 63 LYS H H 1 7.919 0.02 . 1 . . . . . . . . 5244 1 351 . 1 1 63 63 LYS CA C 13 53.997 0.2 . 1 . . . . . . . . 5244 1 352 . 1 1 63 63 LYS HA H 1 4.344 0.02 . 1 . . . . . . . . 5244 1 353 . 1 1 63 63 LYS CB C 13 31.577 0.2 . 1 . . . . . . . . 5244 1 354 . 1 1 63 63 LYS C C 13 178.952 0.2 . 1 . . . . . . . . 5244 1 355 . 1 1 64 64 LEU N N 15 115.052 0.05 . 1 . . . . . . . . 5244 1 356 . 1 1 64 64 LEU H H 1 8.585 0.02 . 1 . . . . . . . . 5244 1 357 . 1 1 64 64 LEU CA C 13 57.757 0.2 . 1 . . . . . . . . 5244 1 358 . 1 1 64 64 LEU HA H 1 4.275 0.02 . 1 . . . . . . . . 5244 1 359 . 1 1 64 64 LEU CB C 13 40.293 0.2 . 1 . . . . . . . . 5244 1 360 . 1 1 64 64 LEU C C 13 179.4 0.2 . 1 . . . . . . . . 5244 1 361 . 1 1 65 65 GLU N N 15 118.278 0.05 . 1 . . . . . . . . 5244 1 362 . 1 1 65 65 GLU H H 1 8.059 0.02 . 1 . . . . . . . . 5244 1 363 . 1 1 65 65 GLU CA C 13 56.971 0.2 . 1 . . . . . . . . 5244 1 364 . 1 1 65 65 GLU CB C 13 26.799 0.2 . 1 . . . . . . . . 5244 1 365 . 1 1 65 65 GLU C C 13 178.576 0.2 . 1 . . . . . . . . 5244 1 366 . 1 1 66 66 PHE N N 15 120.944 0.05 . 1 . . . . . . . . 5244 1 367 . 1 1 66 66 PHE H H 1 7.463 0.02 . 1 . . . . . . . . 5244 1 368 . 1 1 66 66 PHE CA C 13 60.807 0.2 . 1 . . . . . . . . 5244 1 369 . 1 1 66 66 PHE HA H 1 4.455 0.02 . 1 . . . . . . . . 5244 1 370 . 1 1 66 66 PHE CB C 13 37.69 0.2 . 1 . . . . . . . . 5244 1 371 . 1 1 66 66 PHE C C 13 178.441 0.2 . 1 . . . . . . . . 5244 1 372 . 1 1 67 67 LEU N N 15 116.903 0.05 . 1 . . . . . . . . 5244 1 373 . 1 1 67 67 LEU H H 1 7.895 0.02 . 1 . . . . . . . . 5244 1 374 . 1 1 67 67 LEU CA C 13 56.406 0.2 . 1 . . . . . . . . 5244 1 375 . 1 1 67 67 LEU HA H 1 3.848 0.02 . 1 . . . . . . . . 5244 1 376 . 1 1 67 67 LEU CB C 13 39.308 0.2 . 1 . . . . . . . . 5244 1 377 . 1 1 67 67 LEU C C 13 177.856 0.2 . 1 . . . . . . . . 5244 1 378 . 1 1 68 68 ARG N N 15 121.88 0.05 . 1 . . . . . . . . 5244 1 379 . 1 1 68 68 ARG H H 1 8.719 0.02 . 1 . . . . . . . . 5244 1 380 . 1 1 68 68 ARG CA C 13 59.442 0.2 . 1 . . . . . . . . 5244 1 381 . 1 1 68 68 ARG HA H 1 3.977 0.02 . 1 . . . . . . . . 5244 1 382 . 1 1 68 68 ARG CB C 13 28.611 0.2 . 1 . . . . . . . . 5244 1 383 . 1 1 68 68 ARG C C 13 177.638 0.2 . 1 . . . . . . . . 5244 1 384 . 1 1 69 69 LYS N N 15 115.464 0.05 . 1 . . . . . . . . 5244 1 385 . 1 1 69 69 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 5244 1 386 . 1 1 69 69 LYS CA C 13 59.239 0.2 . 1 . . . . . . . . 5244 1 387 . 1 1 69 69 LYS HA H 1 3.866 0.02 . 1 . . . . . . . . 5244 1 388 . 1 1 69 69 LYS CB C 13 30.309 0.2 . 1 . . . . . . . . 5244 1 389 . 1 1 69 69 LYS C C 13 179.704 0.2 . 1 . . . . . . . . 5244 1 390 . 1 1 70 70 ARG N N 15 121.461 0.05 . 1 . . . . . . . . 5244 1 391 . 1 1 70 70 ARG H H 1 7.987 0.02 . 1 . . . . . . . . 5244 1 392 . 1 1 70 70 ARG CA C 13 58.504 0.2 . 1 . . . . . . . . 5244 1 393 . 1 1 70 70 ARG HA H 1 3.895 0.02 . 1 . . . . . . . . 5244 1 394 . 1 1 70 70 ARG CB C 13 30.158 0.2 . 1 . . . . . . . . 5244 1 395 . 1 1 70 70 ARG C C 13 177.932 0.2 . 1 . . . . . . . . 5244 1 396 . 1 1 71 71 GLN N N 15 121.799 0.05 . 1 . . . . . . . . 5244 1 397 . 1 1 71 71 GLN H H 1 8.936 0.02 . 1 . . . . . . . . 5244 1 398 . 1 1 71 71 GLN CA C 13 58.177 0.2 . 1 . . . . . . . . 5244 1 399 . 1 1 71 71 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 5244 1 400 . 1 1 71 71 GLN CB C 13 25.31 0.2 . 1 . . . . . . . . 5244 1 401 . 1 1 71 71 GLN C C 13 178.509 0.2 . 1 . . . . . . . . 5244 1 402 . 1 1 72 72 ILE N N 15 118.164 0.05 . 1 . . . . . . . . 5244 1 403 . 1 1 72 72 ILE H H 1 7.644 0.02 . 1 . . . . . . . . 5244 1 404 . 1 1 72 72 ILE CA C 13 65.056 0.2 . 1 . . . . . . . . 5244 1 405 . 1 1 72 72 ILE HA H 1 3.53 0.02 . 1 . . . . . . . . 5244 1 406 . 1 1 72 72 ILE CB C 13 36.544 0.2 . 1 . . . . . . . . 5244 1 407 . 1 1 72 72 ILE C C 13 179.285 0.2 . 1 . . . . . . . . 5244 1 408 . 1 1 73 73 GLU N N 15 118.462 0.05 . 1 . . . . . . . . 5244 1 409 . 1 1 73 73 GLU H H 1 7.247 0.02 . 1 . . . . . . . . 5244 1 410 . 1 1 73 73 GLU CA C 13 58.206 0.2 . 1 . . . . . . . . 5244 1 411 . 1 1 73 73 GLU HA H 1 4.108 0.02 . 1 . . . . . . . . 5244 1 412 . 1 1 73 73 GLU CB C 13 28.351 0.2 . 1 . . . . . . . . 5244 1 413 . 1 1 73 73 GLU C C 13 180.111 0.2 . 1 . . . . . . . . 5244 1 414 . 1 1 74 74 LEU N N 15 122.572 0.05 . 1 . . . . . . . . 5244 1 415 . 1 1 74 74 LEU H H 1 9.171 0.02 . 1 . . . . . . . . 5244 1 416 . 1 1 74 74 LEU CA C 13 57.602 0.2 . 1 . . . . . . . . 5244 1 417 . 1 1 74 74 LEU HA H 1 3.928 0.02 . 1 . . . . . . . . 5244 1 418 . 1 1 74 74 LEU CB C 13 40.676 0.2 . 1 . . . . . . . . 5244 1 419 . 1 1 74 74 LEU C C 13 179.454 0.2 . 1 . . . . . . . . 5244 1 420 . 1 1 75 75 ILE N N 15 119.897 0.05 . 1 . . . . . . . . 5244 1 421 . 1 1 75 75 ILE H H 1 8.682 0.02 . 1 . . . . . . . . 5244 1 422 . 1 1 75 75 ILE CA C 13 65.166 0.2 . 1 . . . . . . . . 5244 1 423 . 1 1 75 75 ILE CB C 13 37.098 0.2 . 1 . . . . . . . . 5244 1 424 . 1 1 75 75 ILE C C 13 177.363 0.2 . 1 . . . . . . . . 5244 1 425 . 1 1 76 76 ALA N N 15 118.715 0.05 . 1 . . . . . . . . 5244 1 426 . 1 1 76 76 ALA H H 1 7.571 0.02 . 1 . . . . . . . . 5244 1 427 . 1 1 76 76 ALA CA C 13 54.169 0.2 . 1 . . . . . . . . 5244 1 428 . 1 1 76 76 ALA HA H 1 3.983 0.02 . 1 . . . . . . . . 5244 1 429 . 1 1 76 76 ALA CB C 13 16.316 0.2 . 1 . . . . . . . . 5244 1 430 . 1 1 76 76 ALA C C 13 180.867 0.2 . 1 . . . . . . . . 5244 1 431 . 1 1 77 77 GLU N N 15 120.403 0.05 . 1 . . . . . . . . 5244 1 432 . 1 1 77 77 GLU H H 1 8.264 0.02 . 1 . . . . . . . . 5244 1 433 . 1 1 77 77 GLU CA C 13 57.215 0.2 . 1 . . . . . . . . 5244 1 434 . 1 1 77 77 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5244 1 435 . 1 1 77 77 GLU CB C 13 26.748 0.2 . 1 . . . . . . . . 5244 1 436 . 1 1 77 77 GLU C C 13 178.171 0.2 . 1 . . . . . . . . 5244 1 437 . 1 1 78 78 CYS N N 15 118.355 0.05 . 1 . . . . . . . . 5244 1 438 . 1 1 78 78 CYS H H 1 8.361 0.02 . 1 . . . . . . . . 5244 1 439 . 1 1 78 78 CYS CA C 13 63.774 0.2 . 1 . . . . . . . . 5244 1 440 . 1 1 78 78 CYS CB C 13 25.568 0.2 . 1 . . . . . . . . 5244 1 441 . 1 1 78 78 CYS C C 13 177.21 0.2 . 1 . . . . . . . . 5244 1 442 . 1 1 79 79 LEU N N 15 117.214 0.05 . 1 . . . . . . . . 5244 1 443 . 1 1 79 79 LEU H H 1 7.895 0.02 . 1 . . . . . . . . 5244 1 444 . 1 1 79 79 LEU CA C 13 56.53 0.2 . 1 . . . . . . . . 5244 1 445 . 1 1 79 79 LEU HA H 1 3.984 0.02 . 1 . . . . . . . . 5244 1 446 . 1 1 79 79 LEU CB C 13 38.903 0.2 . 1 . . . . . . . . 5244 1 447 . 1 1 79 79 LEU C C 13 181.545 0.2 . 1 . . . . . . . . 5244 1 448 . 1 1 80 80 LYS N N 15 124.114 0.05 . 1 . . . . . . . . 5244 1 449 . 1 1 80 80 LYS H H 1 8.143 0.02 . 1 . . . . . . . . 5244 1 450 . 1 1 80 80 LYS CA C 13 58.505 0.2 . 1 . . . . . . . . 5244 1 451 . 1 1 80 80 LYS HA H 1 3.9 0.02 . 1 . . . . . . . . 5244 1 452 . 1 1 80 80 LYS CB C 13 30.764 0.2 . 1 . . . . . . . . 5244 1 453 . 1 1 80 80 LYS C C 13 178.448 0.2 . 1 . . . . . . . . 5244 1 454 . 1 1 81 81 ARG N N 15 114.238 0.05 . 1 . . . . . . . . 5244 1 455 . 1 1 81 81 ARG H H 1 7.115 0.02 . 1 . . . . . . . . 5244 1 456 . 1 1 81 81 ARG CA C 13 55.219 0.2 . 1 . . . . . . . . 5244 1 457 . 1 1 81 81 ARG HA H 1 3.598 0.02 . 1 . . . . . . . . 5244 1 458 . 1 1 81 81 ARG CB C 13 27.189 0.2 . 1 . . . . . . . . 5244 1 459 . 1 1 81 81 ARG C C 13 175.563 0.2 . 1 . . . . . . . . 5244 1 460 . 1 1 82 82 GLY N N 15 106.467 0.05 . 1 . . . . . . . . 5244 1 461 . 1 1 82 82 GLY H H 1 7.59 0.02 . 1 . . . . . . . . 5244 1 462 . 1 1 82 82 GLY CA C 13 44.547 0.2 . 1 . . . . . . . . 5244 1 463 . 1 1 82 82 GLY HA3 H 1 3.63 0.02 . 2 . . . . . . . . 5244 1 464 . 1 1 82 82 GLY HA2 H 1 3.895 0.02 . 2 . . . . . . . . 5244 1 465 . 1 1 82 82 GLY C C 13 174.879 0.2 . 1 . . . . . . . . 5244 1 466 . 1 1 83 83 PHE N N 15 118.675 0.05 . 1 . . . . . . . . 5244 1 467 . 1 1 83 83 PHE H H 1 7.718 0.02 . 1 . . . . . . . . 5244 1 468 . 1 1 83 83 PHE CA C 13 53.193 0.2 . 1 . . . . . . . . 5244 1 469 . 1 1 83 83 PHE HA H 1 4.668 0.02 . 1 . . . . . . . . 5244 1 470 . 1 1 83 83 PHE CB C 13 36.066 0.2 . 1 . . . . . . . . 5244 1 471 . 1 1 83 83 PHE C C 13 176.17 0.2 . 1 . . . . . . . . 5244 1 472 . 1 1 84 84 ASN N N 15 123.158 0.05 . 1 . . . . . . . . 5244 1 473 . 1 1 84 84 ASN H H 1 8.831 0.02 . 1 . . . . . . . . 5244 1 474 . 1 1 84 84 ASN CA C 13 51.595 0.2 . 1 . . . . . . . . 5244 1 475 . 1 1 84 84 ASN HA H 1 4.468 0.02 . 1 . . . . . . . . 5244 1 476 . 1 1 84 84 ASN CB C 13 35.908 0.2 . 1 . . . . . . . . 5244 1 477 . 1 1 84 84 ASN C C 13 175.233 0.2 . 1 . . . . . . . . 5244 1 478 . 1 1 85 85 ILE N N 15 116.307 0.05 . 1 . . . . . . . . 5244 1 479 . 1 1 85 85 ILE H H 1 7.396 0.02 . 1 . . . . . . . . 5244 1 480 . 1 1 85 85 ILE CA C 13 58.973 0.2 . 1 . . . . . . . . 5244 1 481 . 1 1 85 85 ILE HA H 1 4.335 0.02 . 1 . . . . . . . . 5244 1 482 . 1 1 85 85 ILE CB C 13 36.677 0.2 . 1 . . . . . . . . 5244 1 483 . 1 1 85 85 ILE C C 13 176.09 0.2 . 1 . . . . . . . . 5244 1 484 . 1 1 86 86 LYS N N 15 120.627 0.05 . 1 . . . . . . . . 5244 1 485 . 1 1 86 86 LYS H H 1 8.584 0.02 . 1 . . . . . . . . 5244 1 486 . 1 1 86 86 LYS CA C 13 56.428 0.2 . 1 . . . . . . . . 5244 1 487 . 1 1 86 86 LYS HA H 1 4.241 0.02 . 1 . . . . . . . . 5244 1 488 . 1 1 86 86 LYS CB C 13 31.266 0.2 . 1 . . . . . . . . 5244 1 489 . 1 1 86 86 LYS C C 13 176.688 0.2 . 1 . . . . . . . . 5244 1 490 . 1 1 87 87 ASP N N 15 116.818 0.05 . 1 . . . . . . . . 5244 1 491 . 1 1 87 87 ASP H H 1 7.476 0.02 . 1 . . . . . . . . 5244 1 492 . 1 1 87 87 ASP CA C 13 52.443 0.2 . 1 . . . . . . . . 5244 1 493 . 1 1 87 87 ASP HA H 1 4.517 0.02 . 1 . . . . . . . . 5244 1 494 . 1 1 87 87 ASP CB C 13 39.948 0.2 . 1 . . . . . . . . 5244 1 495 . 1 1 87 87 ASP C C 13 177.247 0.2 . 1 . . . . . . . . 5244 1 496 . 1 1 88 88 THR N N 15 115.467 0.05 . 1 . . . . . . . . 5244 1 497 . 1 1 88 88 THR H H 1 8.753 0.02 . 1 . . . . . . . . 5244 1 498 . 1 1 88 88 THR CA C 13 60.041 0.2 . 1 . . . . . . . . 5244 1 499 . 1 1 88 88 THR HA H 1 4.401 0.02 . 1 . . . . . . . . 5244 1 500 . 1 1 88 88 THR CB C 13 67.298 0.2 . 1 . . . . . . . . 5244 1 501 . 1 1 88 88 THR C C 13 173.29 0.2 . 1 . . . . . . . . 5244 1 502 . 1 1 89 89 THR N N 15 115.996 0.05 . 1 . . . . . . . . 5244 1 503 . 1 1 89 89 THR H H 1 7.969 0.02 . 1 . . . . . . . . 5244 1 504 . 1 1 89 89 THR CA C 13 59.913 0.2 . 1 . . . . . . . . 5244 1 505 . 1 1 89 89 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 5244 1 506 . 1 1 89 89 THR CB C 13 69.634 0.2 . 1 . . . . . . . . 5244 1 507 . 1 1 89 89 THR C C 13 173.633 0.2 . 1 . . . . . . . . 5244 1 508 . 1 1 90 90 VAL N N 15 125.684 0.05 . 1 . . . . . . . . 5244 1 509 . 1 1 90 90 VAL H H 1 8.544 0.02 . 1 . . . . . . . . 5244 1 510 . 1 1 90 90 VAL CA C 13 60.11 0.2 . 1 . . . . . . . . 5244 1 511 . 1 1 90 90 VAL HA H 1 3.878 0.02 . 1 . . . . . . . . 5244 1 512 . 1 1 90 90 VAL CB C 13 30.434 0.2 . 1 . . . . . . . . 5244 1 513 . 1 1 90 90 VAL C C 13 175.161 0.2 . 1 . . . . . . . . 5244 1 514 . 1 1 91 91 GLN N N 15 127.208 0.05 . 1 . . . . . . . . 5244 1 515 . 1 1 91 91 GLN H H 1 8.585 0.02 . 1 . . . . . . . . 5244 1 516 . 1 1 91 91 GLN CA C 13 55.575 0.2 . 1 . . . . . . . . 5244 1 517 . 1 1 91 91 GLN HA H 1 3.878 0.02 . 1 . . . . . . . . 5244 1 518 . 1 1 91 91 GLN CB C 13 27.843 0.2 . 1 . . . . . . . . 5244 1 519 . 1 1 91 91 GLN C C 13 174.805 0.2 . 1 . . . . . . . . 5244 1 520 . 1 1 92 92 ASP N N 15 122.755 0.05 . 1 . . . . . . . . 5244 1 521 . 1 1 92 92 ASP H H 1 8.324 0.02 . 1 . . . . . . . . 5244 1 522 . 1 1 92 92 ASP CA C 13 52.949 0.2 . 1 . . . . . . . . 5244 1 523 . 1 1 92 92 ASP HA H 1 4.437 0.02 . 1 . . . . . . . . 5244 1 524 . 1 1 92 92 ASP CB C 13 39.678 0.2 . 1 . . . . . . . . 5244 1 525 . 1 1 92 92 ASP C C 13 176.812 0.2 . 1 . . . . . . . . 5244 1 526 . 1 1 93 93 ILE N N 15 118.474 0.05 . 1 . . . . . . . . 5244 1 527 . 1 1 93 93 ILE H H 1 8.232 0.02 . 1 . . . . . . . . 5244 1 528 . 1 1 93 93 ILE CA C 13 59.278 0.2 . 1 . . . . . . . . 5244 1 529 . 1 1 93 93 ILE HA H 1 4.444 0.02 . 1 . . . . . . . . 5244 1 530 . 1 1 93 93 ILE CB C 13 36.256 0.2 . 1 . . . . . . . . 5244 1 531 . 1 1 93 93 ILE C C 13 176.569 0.2 . 1 . . . . . . . . 5244 1 532 . 1 1 94 94 SER N N 15 117.618 0.05 . 1 . . . . . . . . 5244 1 533 . 1 1 94 94 SER H H 1 8.453 0.02 . 1 . . . . . . . . 5244 1 534 . 1 1 94 94 SER CA C 13 60.501 0.2 . 1 . . . . . . . . 5244 1 535 . 1 1 94 94 SER CB C 13 61.863 0.2 . 1 . . . . . . . . 5244 1 536 . 1 1 94 94 SER C C 13 173.817 0.2 . 1 . . . . . . . . 5244 1 537 . 1 1 95 95 ASP N N 15 117.761 0.05 . 1 . . . . . . . . 5244 1 538 . 1 1 95 95 ASP H H 1 8.929 0.02 . 1 . . . . . . . . 5244 1 539 . 1 1 95 95 ASP CA C 13 53.044 0.2 . 1 . . . . . . . . 5244 1 540 . 1 1 95 95 ASP HA H 1 4.314 0.02 . 1 . . . . . . . . 5244 1 541 . 1 1 95 95 ASP CB C 13 38.427 0.2 . 1 . . . . . . . . 5244 1 542 . 1 1 95 95 ASP C C 13 176.094 0.2 . 1 . . . . . . . . 5244 1 543 . 1 1 96 96 ILE N N 15 124.984 0.05 . 1 . . . . . . . . 5244 1 544 . 1 1 96 96 ILE H H 1 7.704 0.02 . 1 . . . . . . . . 5244 1 545 . 1 1 96 96 ILE CA C 13 58.096 0.2 . 1 . . . . . . . . 5244 1 546 . 1 1 96 96 ILE HA H 1 4.147 0.02 . 1 . . . . . . . . 5244 1 547 . 1 1 96 96 ILE CB C 13 37.307 0.2 . 1 . . . . . . . . 5244 1 548 . 1 1 97 97 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 5244 1 549 . 1 1 97 97 PRO CB C 13 31.344 0.2 . 1 . . . . . . . . 5244 1 550 . 1 1 97 97 PRO C C 13 176.834 0.2 . 1 . . . . . . . . 5244 1 551 . 1 1 98 98 GLN N N 15 123.148 0.05 . 1 . . . . . . . . 5244 1 552 . 1 1 98 98 GLN H H 1 8.839 0.02 . 1 . . . . . . . . 5244 1 553 . 1 1 98 98 GLN CA C 13 58.267 0.2 . 1 . . . . . . . . 5244 1 554 . 1 1 98 98 GLN CB C 13 26.988 0.2 . 1 . . . . . . . . 5244 1 555 . 1 1 98 98 GLN C C 13 178.433 0.2 . 1 . . . . . . . . 5244 1 556 . 1 1 99 99 GLU N N 15 117.152 0.05 . 1 . . . . . . . . 5244 1 557 . 1 1 99 99 GLU H H 1 8.981 0.02 . 1 . . . . . . . . 5244 1 558 . 1 1 99 99 GLU CA C 13 57.258 0.2 . 1 . . . . . . . . 5244 1 559 . 1 1 99 99 GLU HA H 1 4.189 0.02 . 1 . . . . . . . . 5244 1 560 . 1 1 99 99 GLU CB C 13 26.521 0.2 . 1 . . . . . . . . 5244 1 561 . 1 1 99 99 GLU C C 13 176.659 0.2 . 1 . . . . . . . . 5244 1 562 . 1 1 100 100 PHE N N 15 115.858 0.05 . 1 . . . . . . . . 5244 1 563 . 1 1 100 100 PHE H H 1 7.954 0.02 . 1 . . . . . . . . 5244 1 564 . 1 1 100 100 PHE CA C 13 58.609 0.2 . 1 . . . . . . . . 5244 1 565 . 1 1 100 100 PHE CB C 13 38.112 0.2 . 1 . . . . . . . . 5244 1 566 . 1 1 100 100 PHE C C 13 178.832 0.2 . 1 . . . . . . . . 5244 1 567 . 1 1 101 101 ARG N N 15 121.078 0.05 . 1 . . . . . . . . 5244 1 568 . 1 1 101 101 ARG H H 1 7.918 0.02 . 1 . . . . . . . . 5244 1 569 . 1 1 101 101 ARG CA C 13 54.687 0.2 . 1 . . . . . . . . 5244 1 570 . 1 1 101 101 ARG CB C 13 27.347 0.2 . 1 . . . . . . . . 5244 1 571 . 1 1 101 101 ARG C C 13 174.676 0.2 . 1 . . . . . . . . 5244 1 572 . 1 1 102 102 GLY N N 15 106.818 0.05 . 1 . . . . . . . . 5244 1 573 . 1 1 102 102 GLY H H 1 7.121 0.02 . 1 . . . . . . . . 5244 1 574 . 1 1 102 102 GLY CA C 13 43.907 0.2 . 1 . . . . . . . . 5244 1 575 . 1 1 102 102 GLY HA3 H 1 4.076 0.02 . 2 . . . . . . . . 5244 1 576 . 1 1 102 102 GLY HA2 H 1 4.366 0.02 . 2 . . . . . . . . 5244 1 577 . 1 1 102 102 GLY C C 13 174.25 0.2 . 1 . . . . . . . . 5244 1 578 . 1 1 103 103 ASP N N 15 122.147 0.05 . 1 . . . . . . . . 5244 1 579 . 1 1 103 103 ASP H H 1 8.736 0.02 . 1 . . . . . . . . 5244 1 580 . 1 1 103 103 ASP CA C 13 51.542 0.2 . 1 . . . . . . . . 5244 1 581 . 1 1 103 103 ASP HA H 1 5.045 0.02 . 1 . . . . . . . . 5244 1 582 . 1 1 103 103 ASP CB C 13 42.334 0.2 . 1 . . . . . . . . 5244 1 583 . 1 1 103 103 ASP C C 13 174.949 0.2 . 1 . . . . . . . . 5244 1 584 . 1 1 104 104 TYR N N 15 120.55 0.05 . 1 . . . . . . . . 5244 1 585 . 1 1 104 104 TYR H H 1 9.373 0.02 . 1 . . . . . . . . 5244 1 586 . 1 1 104 104 TYR CA C 13 56.071 0.2 . 1 . . . . . . . . 5244 1 587 . 1 1 104 104 TYR HA H 1 4.702 0.02 . 1 . . . . . . . . 5244 1 588 . 1 1 104 104 TYR CB C 13 39.343 0.2 . 1 . . . . . . . . 5244 1 589 . 1 1 104 104 TYR C C 13 172.174 0.2 . 1 . . . . . . . . 5244 1 590 . 1 1 105 105 ILE N N 15 128.41 0.05 . 1 . . . . . . . . 5244 1 591 . 1 1 105 105 ILE H H 1 8.071 0.02 . 1 . . . . . . . . 5244 1 592 . 1 1 105 105 ILE CA C 13 56.141 0.2 . 1 . . . . . . . . 5244 1 593 . 1 1 105 105 ILE HA H 1 4.206 0.02 . 1 . . . . . . . . 5244 1 594 . 1 1 105 105 ILE CB C 13 36.456 0.2 . 1 . . . . . . . . 5244 1 595 . 1 1 106 106 PRO CA C 13 60.828 0.2 . 1 . . . . . . . . 5244 1 596 . 1 1 106 106 PRO CB C 13 30.521 0.2 . 1 . . . . . . . . 5244 1 597 . 1 1 106 106 PRO C C 13 176.414 0.2 . 1 . . . . . . . . 5244 1 598 . 1 1 107 107 HIS N N 15 120.249 0.05 . 1 . . . . . . . . 5244 1 599 . 1 1 107 107 HIS H H 1 8.103 0.02 . 1 . . . . . . . . 5244 1 600 . 1 1 107 107 HIS CA C 13 55.016 0.2 . 1 . . . . . . . . 5244 1 601 . 1 1 107 107 HIS HA H 1 4.588 0.02 . 1 . . . . . . . . 5244 1 602 . 1 1 107 107 HIS CB C 13 29.709 0.2 . 1 . . . . . . . . 5244 1 603 . 1 1 107 107 HIS C C 13 176.744 0.2 . 1 . . . . . . . . 5244 1 604 . 1 1 108 108 GLU N N 15 124.603 0.05 . 1 . . . . . . . . 5244 1 605 . 1 1 108 108 GLU H H 1 9.017 0.02 . 1 . . . . . . . . 5244 1 606 . 1 1 108 108 GLU CA C 13 59.477 0.2 . 1 . . . . . . . . 5244 1 607 . 1 1 108 108 GLU HA H 1 4.59 0.02 . 1 . . . . . . . . 5244 1 608 . 1 1 108 108 GLU CB C 13 27.561 0.2 . 1 . . . . . . . . 5244 1 609 . 1 1 108 108 GLU C C 13 178.979 0.2 . 1 . . . . . . . . 5244 1 610 . 1 1 109 109 ALA N N 15 122.82 0.05 . 1 . . . . . . . . 5244 1 611 . 1 1 109 109 ALA H H 1 9.847 0.02 . 1 . . . . . . . . 5244 1 612 . 1 1 109 109 ALA CA C 13 54.15 0.2 . 1 . . . . . . . . 5244 1 613 . 1 1 109 109 ALA HA H 1 4.225 0.02 . 1 . . . . . . . . 5244 1 614 . 1 1 109 109 ALA CB C 13 16.577 0.2 . 1 . . . . . . . . 5244 1 615 . 1 1 109 109 ALA C C 13 180.982 0.2 . 1 . . . . . . . . 5244 1 616 . 1 1 110 110 SER N N 15 115.185 0.05 . 1 . . . . . . . . 5244 1 617 . 1 1 110 110 SER H H 1 7.576 0.02 . 1 . . . . . . . . 5244 1 618 . 1 1 110 110 SER CA C 13 60.491 0.2 . 1 . . . . . . . . 5244 1 619 . 1 1 110 110 SER HA H 1 4.397 0.02 . 1 . . . . . . . . 5244 1 620 . 1 1 110 110 SER C C 13 175.412 0.2 . 1 . . . . . . . . 5244 1 621 . 1 1 111 111 ILE N N 15 122.51 0.05 . 1 . . . . . . . . 5244 1 622 . 1 1 111 111 ILE H H 1 7.764 0.02 . 1 . . . . . . . . 5244 1 623 . 1 1 111 111 ILE CA C 13 64.933 0.2 . 1 . . . . . . . . 5244 1 624 . 1 1 111 111 ILE HA H 1 3.883 0.02 . 1 . . . . . . . . 5244 1 625 . 1 1 111 111 ILE CB C 13 36.042 0.2 . 1 . . . . . . . . 5244 1 626 . 1 1 111 111 ILE C C 13 177.467 0.2 . 1 . . . . . . . . 5244 1 627 . 1 1 112 112 ALA N N 15 120.004 0.05 . 1 . . . . . . . . 5244 1 628 . 1 1 112 112 ALA H H 1 7.959 0.02 . 1 . . . . . . . . 5244 1 629 . 1 1 112 112 ALA CA C 13 54.123 0.2 . 1 . . . . . . . . 5244 1 630 . 1 1 112 112 ALA HA H 1 4.216 0.02 . 1 . . . . . . . . 5244 1 631 . 1 1 112 112 ALA CB C 13 16.013 0.2 . 1 . . . . . . . . 5244 1 632 . 1 1 112 112 ALA C C 13 181.338 0.2 . 1 . . . . . . . . 5244 1 633 . 1 1 113 113 ILE N N 15 119.848 0.05 . 1 . . . . . . . . 5244 1 634 . 1 1 113 113 ILE H H 1 7.516 0.02 . 1 . . . . . . . . 5244 1 635 . 1 1 113 113 ILE CA C 13 63.8 0.2 . 1 . . . . . . . . 5244 1 636 . 1 1 113 113 ILE CB C 13 36.26 0.2 . 1 . . . . . . . . 5244 1 637 . 1 1 113 113 ILE C C 13 178.424 0.2 . 1 . . . . . . . . 5244 1 638 . 1 1 114 114 SER N N 15 115.04 0.05 . 1 . . . . . . . . 5244 1 639 . 1 1 114 114 SER H H 1 7.654 0.02 . 1 . . . . . . . . 5244 1 640 . 1 1 114 114 SER CA C 13 60.208 0.2 . 1 . . . . . . . . 5244 1 641 . 1 1 114 114 SER HA H 1 4.195 0.02 . 1 . . . . . . . . 5244 1 642 . 1 1 114 114 SER CB C 13 61.977 0.2 . 1 . . . . . . . . 5244 1 643 . 1 1 114 114 SER C C 13 178.03 0.2 . 1 . . . . . . . . 5244 1 644 . 1 1 115 115 GLN N N 15 119.482 0.05 . 1 . . . . . . . . 5244 1 645 . 1 1 115 115 GLN H H 1 9.111 0.02 . 1 . . . . . . . . 5244 1 646 . 1 1 115 115 GLN CA C 13 56.889 0.2 . 1 . . . . . . . . 5244 1 647 . 1 1 115 115 GLN HA H 1 3.823 0.02 . 1 . . . . . . . . 5244 1 648 . 1 1 115 115 GLN CB C 13 27.499 0.2 . 1 . . . . . . . . 5244 1 649 . 1 1 115 115 GLN C C 13 177.32 0.2 . 1 . . . . . . . . 5244 1 650 . 1 1 116 116 ALA N N 15 120.073 0.05 . 1 . . . . . . . . 5244 1 651 . 1 1 116 116 ALA H H 1 8.237 0.02 . 1 . . . . . . . . 5244 1 652 . 1 1 116 116 ALA CA C 13 53.842 0.2 . 1 . . . . . . . . 5244 1 653 . 1 1 116 116 ALA HA H 1 4.207 0.02 . 1 . . . . . . . . 5244 1 654 . 1 1 116 116 ALA CB C 13 16.075 0.2 . 1 . . . . . . . . 5244 1 655 . 1 1 116 116 ALA C C 13 180.378 0.2 . 1 . . . . . . . . 5244 1 656 . 1 1 117 117 ARG N N 15 117.906 0.05 . 1 . . . . . . . . 5244 1 657 . 1 1 117 117 ARG H H 1 7.311 0.02 . 1 . . . . . . . . 5244 1 658 . 1 1 117 117 ARG CA C 13 56.697 0.2 . 1 . . . . . . . . 5244 1 659 . 1 1 117 117 ARG HA H 1 4.198 0.02 . 1 . . . . . . . . 5244 1 660 . 1 1 117 117 ARG CB C 13 26.957 0.2 . 1 . . . . . . . . 5244 1 661 . 1 1 117 117 ARG C C 13 178.028 0.2 . 1 . . . . . . . . 5244 1 662 . 1 1 118 118 LEU N N 15 118.898 0.05 . 1 . . . . . . . . 5244 1 663 . 1 1 118 118 LEU H H 1 7.123 0.02 . 1 . . . . . . . . 5244 1 664 . 1 1 118 118 LEU CA C 13 57.053 0.2 . 1 . . . . . . . . 5244 1 665 . 1 1 118 118 LEU HA H 1 3.592 0.02 . 1 . . . . . . . . 5244 1 666 . 1 1 118 118 LEU CB C 13 38.249 0.2 . 1 . . . . . . . . 5244 1 667 . 1 1 118 118 LEU C C 13 179.407 0.2 . 1 . . . . . . . . 5244 1 668 . 1 1 119 119 ASP N N 15 119.09 0.05 . 1 . . . . . . . . 5244 1 669 . 1 1 119 119 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5244 1 670 . 1 1 119 119 ASP CA C 13 56.43 0.2 . 1 . . . . . . . . 5244 1 671 . 1 1 119 119 ASP HA H 1 4.183 0.02 . 1 . . . . . . . . 5244 1 672 . 1 1 119 119 ASP CB C 13 38.488 0.2 . 1 . . . . . . . . 5244 1 673 . 1 1 119 119 ASP C C 13 179.623 0.2 . 1 . . . . . . . . 5244 1 674 . 1 1 120 120 GLU N N 15 121.928 0.05 . 1 . . . . . . . . 5244 1 675 . 1 1 120 120 GLU H H 1 8.184 0.02 . 1 . . . . . . . . 5244 1 676 . 1 1 120 120 GLU CA C 13 57.892 0.2 . 1 . . . . . . . . 5244 1 677 . 1 1 120 120 GLU HA H 1 4.032 0.02 . 1 . . . . . . . . 5244 1 678 . 1 1 120 120 GLU CB C 13 27.823 0.2 . 1 . . . . . . . . 5244 1 679 . 1 1 120 120 GLU C C 13 179.189 0.2 . 1 . . . . . . . . 5244 1 680 . 1 1 121 121 LYS N N 15 118.031 0.05 . 1 . . . . . . . . 5244 1 681 . 1 1 121 121 LYS H H 1 7.695 0.02 . 1 . . . . . . . . 5244 1 682 . 1 1 121 121 LYS CA C 13 57.021 0.2 . 1 . . . . . . . . 5244 1 683 . 1 1 121 121 LYS HA H 1 4.056 0.02 . 1 . . . . . . . . 5244 1 684 . 1 1 121 121 LYS CB C 13 29.305 0.2 . 1 . . . . . . . . 5244 1 685 . 1 1 121 121 LYS C C 13 180.317 0.2 . 1 . . . . . . . . 5244 1 686 . 1 1 122 122 ILE N N 15 121.245 0.05 . 1 . . . . . . . . 5244 1 687 . 1 1 122 122 ILE H H 1 7.952 0.02 . 1 . . . . . . . . 5244 1 688 . 1 1 122 122 ILE CA C 13 63.526 0.2 . 1 . . . . . . . . 5244 1 689 . 1 1 122 122 ILE HA H 1 3.391 0.02 . 1 . . . . . . . . 5244 1 690 . 1 1 122 122 ILE CB C 13 35.378 0.2 . 1 . . . . . . . . 5244 1 691 . 1 1 122 122 ILE C C 13 177.866 0.2 . 1 . . . . . . . . 5244 1 692 . 1 1 123 123 ALA N N 15 117.84 0.05 . 1 . . . . . . . . 5244 1 693 . 1 1 123 123 ALA H H 1 7.777 0.02 . 1 . . . . . . . . 5244 1 694 . 1 1 123 123 ALA CA C 13 52.897 0.2 . 1 . . . . . . . . 5244 1 695 . 1 1 123 123 ALA HA H 1 4.079 0.02 . 1 . . . . . . . . 5244 1 696 . 1 1 123 123 ALA CB C 13 16.424 0.2 . 1 . . . . . . . . 5244 1 697 . 1 1 123 123 ALA C C 13 179.63 0.2 . 1 . . . . . . . . 5244 1 698 . 1 1 124 124 GLN N N 15 114.776 0.05 . 1 . . . . . . . . 5244 1 699 . 1 1 124 124 GLN H H 1 7.409 0.02 . 1 . . . . . . . . 5244 1 700 . 1 1 124 124 GLN CA C 13 56.595 0.2 . 1 . . . . . . . . 5244 1 701 . 1 1 124 124 GLN HA H 1 4.156 0.02 . 1 . . . . . . . . 5244 1 702 . 1 1 124 124 GLN CB C 13 27.731 0.2 . 1 . . . . . . . . 5244 1 703 . 1 1 124 124 GLN C C 13 177.799 0.2 . 1 . . . . . . . . 5244 1 704 . 1 1 125 125 ARG N N 15 114.921 0.05 . 1 . . . . . . . . 5244 1 705 . 1 1 125 125 ARG H H 1 7.594 0.02 . 1 . . . . . . . . 5244 1 706 . 1 1 125 125 ARG CA C 13 53.174 0.2 . 1 . . . . . . . . 5244 1 707 . 1 1 125 125 ARG HA H 1 4.732 0.02 . 1 . . . . . . . . 5244 1 708 . 1 1 125 125 ARG CB C 13 29.417 0.2 . 1 . . . . . . . . 5244 1 709 . 1 1 126 126 PRO CA C 13 65.374 0.2 . 1 . . . . . . . . 5244 1 710 . 1 1 126 126 PRO CB C 13 30.21 0.2 . 1 . . . . . . . . 5244 1 711 . 1 1 126 126 PRO C C 13 178.323 0.2 . 1 . . . . . . . . 5244 1 712 . 1 1 127 127 THR N N 15 104.685 0.05 . 1 . . . . . . . . 5244 1 713 . 1 1 127 127 THR H H 1 7.864 0.02 . 1 . . . . . . . . 5244 1 714 . 1 1 127 127 THR CA C 13 61.589 0.2 . 1 . . . . . . . . 5244 1 715 . 1 1 127 127 THR HA H 1 4.364 0.02 . 1 . . . . . . . . 5244 1 716 . 1 1 127 127 THR CB C 13 68.123 0.2 . 1 . . . . . . . . 5244 1 717 . 1 1 127 127 THR C C 13 174.468 0.2 . 1 . . . . . . . . 5244 1 718 . 1 1 128 128 TRP N N 15 122.689 0.05 . 1 . . . . . . . . 5244 1 719 . 1 1 128 128 TRP H H 1 8.02 0.02 . 1 . . . . . . . . 5244 1 720 . 1 1 128 128 TRP CA C 13 58.523 0.2 . 1 . . . . . . . . 5244 1 721 . 1 1 128 128 TRP HA H 1 4.334 0.02 . 1 . . . . . . . . 5244 1 722 . 1 1 128 128 TRP C C 13 177.469 0.2 . 1 . . . . . . . . 5244 1 723 . 1 1 129 129 TYR N N 15 114.89 0.05 . 1 . . . . . . . . 5244 1 724 . 1 1 129 129 TYR H H 1 6.903 0.02 . 1 . . . . . . . . 5244 1 725 . 1 1 129 129 TYR CA C 13 59.569 0.2 . 1 . . . . . . . . 5244 1 726 . 1 1 129 129 TYR HA H 1 3.89 0.02 . 1 . . . . . . . . 5244 1 727 . 1 1 129 129 TYR CB C 13 39.841 0.2 . 1 . . . . . . . . 5244 1 728 . 1 1 129 129 TYR C C 13 174.498 0.2 . 1 . . . . . . . . 5244 1 729 . 1 1 130 130 LYS N N 15 119.457 0.05 . 1 . . . . . . . . 5244 1 730 . 1 1 130 130 LYS H H 1 8.733 0.02 . 1 . . . . . . . . 5244 1 731 . 1 1 130 130 LYS CA C 13 52.535 0.2 . 1 . . . . . . . . 5244 1 732 . 1 1 130 130 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 5244 1 733 . 1 1 130 130 LYS CB C 13 36.33 0.2 . 1 . . . . . . . . 5244 1 734 . 1 1 130 130 LYS C C 13 174.552 0.2 . 1 . . . . . . . . 5244 1 735 . 1 1 131 131 TYR N N 15 122.115 0.05 . 1 . . . . . . . . 5244 1 736 . 1 1 131 131 TYR H H 1 9.404 0.02 . 1 . . . . . . . . 5244 1 737 . 1 1 131 131 TYR CA C 13 57.483 0.2 . 1 . . . . . . . . 5244 1 738 . 1 1 131 131 TYR HA H 1 4.731 0.02 . 1 . . . . . . . . 5244 1 739 . 1 1 131 131 TYR CB C 13 40.356 0.2 . 1 . . . . . . . . 5244 1 740 . 1 1 131 131 TYR C C 13 176.693 0.2 . 1 . . . . . . . . 5244 1 741 . 1 1 132 132 TYR N N 15 133.334 0.05 . 1 . . . . . . . . 5244 1 742 . 1 1 132 132 TYR H H 1 11.366 0.02 . 1 . . . . . . . . 5244 1 743 . 1 1 132 132 TYR CA C 13 58.795 0.2 . 1 . . . . . . . . 5244 1 744 . 1 1 132 132 TYR CB C 13 40.19 0.2 . 1 . . . . . . . . 5244 1 745 . 1 1 132 132 TYR C C 13 177.602 0.2 . 1 . . . . . . . . 5244 1 746 . 1 1 133 133 GLY N N 15 103.159 0.05 . 1 . . . . . . . . 5244 1 747 . 1 1 133 133 GLY H H 1 9.949 0.02 . 1 . . . . . . . . 5244 1 748 . 1 1 133 133 GLY CA C 13 45.035 0.2 . 1 . . . . . . . . 5244 1 749 . 1 1 133 133 GLY HA3 H 1 3.483 0.02 . 2 . . . . . . . . 5244 1 750 . 1 1 133 133 GLY HA2 H 1 4.188 0.02 . 2 . . . . . . . . 5244 1 751 . 1 1 133 133 GLY C C 13 173.95 0.2 . 1 . . . . . . . . 5244 1 752 . 1 1 134 134 LYS N N 15 120.566 0.05 . 1 . . . . . . . . 5244 1 753 . 1 1 134 134 LYS H H 1 7.801 0.02 . 1 . . . . . . . . 5244 1 754 . 1 1 134 134 LYS CA C 13 53.684 0.2 . 1 . . . . . . . . 5244 1 755 . 1 1 134 134 LYS HA H 1 4.663 0.02 . 1 . . . . . . . . 5244 1 756 . 1 1 134 134 LYS CB C 13 32.572 0.2 . 1 . . . . . . . . 5244 1 757 . 1 1 134 134 LYS C C 13 176.565 0.2 . 1 . . . . . . . . 5244 1 758 . 1 1 135 135 ALA N N 15 130.333 0.05 . 1 . . . . . . . . 5244 1 759 . 1 1 135 135 ALA H H 1 9.131 0.02 . 1 . . . . . . . . 5244 1 760 . 1 1 135 135 ALA CA C 13 51.101 0.2 . 1 . . . . . . . . 5244 1 761 . 1 1 135 135 ALA CB C 13 15.291 0.2 . 1 . . . . . . . . 5244 1 762 . 1 1 135 135 ALA C C 13 177.946 0.2 . 1 . . . . . . . . 5244 1 763 . 1 1 136 136 ILE N N 15 114.668 0.05 . 1 . . . . . . . . 5244 1 764 . 1 1 136 136 ILE H H 1 6.927 0.02 . 1 . . . . . . . . 5244 1 765 . 1 1 136 136 ILE CA C 13 61.177 0.2 . 1 . . . . . . . . 5244 1 766 . 1 1 136 136 ILE HA H 1 4.264 0.02 . 1 . . . . . . . . 5244 1 767 . 1 1 136 136 ILE CB C 13 36.537 0.2 . 1 . . . . . . . . 5244 1 768 . 1 1 136 136 ILE C C 13 176.862 0.2 . 1 . . . . . . . . 5244 1 769 . 1 1 137 137 TYR N N 15 123.215 0.05 . 1 . . . . . . . . 5244 1 770 . 1 1 137 137 TYR H H 1 8.994 0.02 . 1 . . . . . . . . 5244 1 771 . 1 1 137 137 TYR CA C 13 57.576 0.2 . 1 . . . . . . . . 5244 1 772 . 1 1 137 137 TYR HA H 1 4.463 0.02 . 1 . . . . . . . . 5244 1 773 . 1 1 137 137 TYR CB C 13 36.531 0.2 . 1 . . . . . . . . 5244 1 774 . 1 1 137 137 TYR C C 13 174.321 0.2 . 1 . . . . . . . . 5244 1 775 . 1 1 138 138 ALA N N 15 127.071 0.05 . 1 . . . . . . . . 5244 1 776 . 1 1 138 138 ALA H H 1 7.289 0.02 . 1 . . . . . . . . 5244 1 777 . 1 1 138 138 ALA CA C 13 52.416 0.2 . 1 . . . . . . . . 5244 1 778 . 1 1 138 138 ALA HA H 1 4.055 0.02 . 1 . . . . . . . . 5244 1 779 . 1 1 138 138 ALA CB C 13 19.24 0.2 . 1 . . . . . . . . 5244 1 stop_ save_