data_16034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16034 _Entry.Title ; Solution structure and dynamics of S100A5 in the Ca2+ -bound states ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-17 _Entry.Accession_date 2008-11-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivano Bertini . . . 16034 2 Soumyasr 'Das Gupta' . . . 16034 3 Xiaoyu Hu . . . 16034 4 Tilemachos Karavelas . . . 16034 5 Claudio Luchinat . . . 16034 6 Giacomo Parigi . . . 16034 7 Jing Yuan . . . 16034 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE2 'Structural Proteomics in Europe' . 16034 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium binding protien' . 16034 EF-hand . 16034 S100A5 . 16034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16034 heteronucl_NOEs 1 16034 heteronucl_T1_relaxation 1 16034 heteronucl_T2_relaxation 1 16034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 16034 '15N chemical shifts' 93 16034 '1H chemical shifts' 677 16034 'heteronuclear NOE values' 69 16034 'T1 relaxation values' 69 16034 'T2 relaxation values' 69 16034 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 3 . . 2010-05-27 2008-11-17 update BMRB 'edit entity/assembly name' 16034 2 . . 2009-11-12 2008-11-17 update BMRB 'complete entry citation' 16034 1 . . 2009-06-24 2008-11-17 original author 'original release' 16034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16033 'apo form' 16034 PDB 2KAY 'BMRB Entry Tracking System' 16034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16034 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19536568 _Citation.Full_citation . _Citation.Title 'Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full 'Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry' _Citation.Journal_volume 14 _Citation.Journal_issue 7 _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 1097 _Citation.Page_last 1107 _Citation.Year 2009 _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 Ivano Bertini . . . 16034 1 2 Soumyasri 'Das Gupta' . . . 16034 1 3 Xiaoyu Hu . . . 16034 1 4 Tilemachos Karavelas . . . 16034 1 5 Claudio Luchinat . . . 16034 1 6 Giacomo Parigi . . . 16034 1 7 Jing Yuan . . . 16034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16034 _Assembly.ID 1 _Assembly.Name S100A5 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity A . yes native no no . . . 16034 1 2 entity_2 1 $entity B . yes native no no . . . 16034 1 3 'Ca ion' 2 $CA C . no native no no . . . 16034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; METPLEKALTTMVTTFHKYS GREGSKLTLSRKELKELIKK ELCLGEMKESSIDDLMKSLD KNSDQEIDFKEYSVFLTMLC MAYNDFFLEDNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M,1 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10759.492 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16033 . S100A5 . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 1 2 no PDB 2KAX . "Solution Structure And Dynamics Of S100a5 In The Apo And Ca2+ -Bound States" . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 1 3 no PDB 2KAY . "Solution Structure And Dynamics Of S100a5 In The Ca2+ -Bound States" . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 1 4 no PDB 4DIR . "2.6 Angstrom X-ray Structure Of Human Ca(2+)-s100a5" . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 1 5 no EMBL CAA79472 . "S100D second EF-Hand [Homo sapiens]" . . . . . 50.00 46 100.00 100.00 2.39e-22 . . . . 16034 1 6 no EMBL CAA79475 . "S100D N-terminal EF-Hand [Homo sapiens]" . . . . . 50.00 64 100.00 100.00 2.59e-22 . . . . 16034 1 7 no EMBL CAA79479 . "S100D calcium binding protein [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 8.77e-58 . . . . 16034 1 8 no GB AAH93955 . "S100 calcium binding protein A5 [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 8.77e-58 . . . . 16034 1 9 no GB AAH93957 . "S100 calcium binding protein A5 [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 8.77e-58 . . . . 16034 1 10 no GB EAW53316 . "S100 calcium binding protein A5, isoform CRA_a [Homo sapiens]" . . . . . 100.00 104 100.00 100.00 1.27e-57 . . . . 16034 1 11 no GB EAW53317 . "S100 calcium binding protein A5, isoform CRA_b [Homo sapiens]" . . . . . 100.00 110 100.00 100.00 8.77e-58 . . . . 16034 1 12 no PIR B48219 . "S-100 calcium-binding protein A5 - human" . . . . . 100.00 110 100.00 100.00 8.77e-58 . . . . 16034 1 13 no REF NP_002953 . "protein S100-A5 [Homo sapiens]" . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 1 14 no REF XP_001138899 . "PREDICTED: protein S100-A5 isoform X3 [Pan troglodytes]" . . . . . 100.00 104 98.91 98.91 1.13e-56 . . . . 16034 1 15 no REF XP_003817219 . "PREDICTED: protein S100-A5 [Pan paniscus]" . . . . . 100.00 92 98.91 98.91 1.94e-56 . . . . 16034 1 16 no REF XP_004436112 . "PREDICTED: protein S100-A5 [Ceratotherium simum simum]" . . . . . 98.91 92 97.80 97.80 1.11e-54 . . . . 16034 1 17 no REF XP_005610168 . "PREDICTED: protein S100-A5 isoform X2 [Equus caballus]" . . . . . 97.83 91 97.78 98.89 2.87e-54 . . . . 16034 1 18 no SP P33763 . "RecName: Full=Protein S100-A5; AltName: Full=Protein S-100D; AltName: Full=S100 calcium-binding protein A5" . . . . . 100.00 92 100.00 100.00 2.25e-57 . . . . 16034 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 . 16034 1 2 . GLU . 16034 1 3 . THR . 16034 1 4 . PRO . 16034 1 5 . LEU . 16034 1 6 . GLU . 16034 1 7 . LYS . 16034 1 8 . ALA . 16034 1 9 . LEU . 16034 1 10 . THR . 16034 1 11 . THR . 16034 1 12 . MET . 16034 1 13 . VAL . 16034 1 14 . THR . 16034 1 15 . THR . 16034 1 16 . PHE . 16034 1 17 . HIS . 16034 1 18 . LYS . 16034 1 19 . TYR . 16034 1 20 . SER . 16034 1 21 . GLY . 16034 1 22 . ARG . 16034 1 23 . GLU . 16034 1 24 . GLY . 16034 1 25 . SER . 16034 1 26 . LYS . 16034 1 27 . LEU . 16034 1 28 . THR . 16034 1 29 . LEU . 16034 1 30 . SER . 16034 1 31 . ARG . 16034 1 32 . LYS . 16034 1 33 . GLU . 16034 1 34 . LEU . 16034 1 35 . LYS . 16034 1 36 . GLU . 16034 1 37 . LEU . 16034 1 38 . ILE . 16034 1 39 . LYS . 16034 1 40 . LYS . 16034 1 41 . GLU . 16034 1 42 . LEU . 16034 1 43 . CYS . 16034 1 44 . LEU . 16034 1 45 . GLY . 16034 1 46 . GLU . 16034 1 47 . MET . 16034 1 48 . LYS . 16034 1 49 . GLU . 16034 1 50 . SER . 16034 1 51 . SER . 16034 1 52 . ILE . 16034 1 53 . ASP . 16034 1 54 . ASP . 16034 1 55 . LEU . 16034 1 56 . MET . 16034 1 57 . LYS . 16034 1 58 . SER . 16034 1 59 . LEU . 16034 1 60 . ASP . 16034 1 61 . LYS . 16034 1 62 . ASN . 16034 1 63 . SER . 16034 1 64 . ASP . 16034 1 65 . GLN . 16034 1 66 . GLU . 16034 1 67 . ILE . 16034 1 68 . ASP . 16034 1 69 . PHE . 16034 1 70 . LYS . 16034 1 71 . GLU . 16034 1 72 . TYR . 16034 1 73 . SER . 16034 1 74 . VAL . 16034 1 75 . PHE . 16034 1 76 . LEU . 16034 1 77 . THR . 16034 1 78 . MET . 16034 1 79 . LEU . 16034 1 80 . CYS . 16034 1 81 . MET . 16034 1 82 . ALA . 16034 1 83 . TYR . 16034 1 84 . ASN . 16034 1 85 . ASP . 16034 1 86 . PHE . 16034 1 87 . PHE . 16034 1 88 . LEU . 16034 1 89 . GLU . 16034 1 90 . ASP . 16034 1 91 . ASN . 16034 1 92 . LYS . 16034 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 16034 1 . GLU 2 2 16034 1 . THR 3 3 16034 1 . PRO 4 4 16034 1 . LEU 5 5 16034 1 . GLU 6 6 16034 1 . LYS 7 7 16034 1 . ALA 8 8 16034 1 . LEU 9 9 16034 1 . THR 10 10 16034 1 . THR 11 11 16034 1 . MET 12 12 16034 1 . VAL 13 13 16034 1 . THR 14 14 16034 1 . THR 15 15 16034 1 . PHE 16 16 16034 1 . HIS 17 17 16034 1 . LYS 18 18 16034 1 . TYR 19 19 16034 1 . SER 20 20 16034 1 . GLY 21 21 16034 1 . ARG 22 22 16034 1 . GLU 23 23 16034 1 . GLY 24 24 16034 1 . SER 25 25 16034 1 . LYS 26 26 16034 1 . LEU 27 27 16034 1 . THR 28 28 16034 1 . LEU 29 29 16034 1 . SER 30 30 16034 1 . ARG 31 31 16034 1 . LYS 32 32 16034 1 . GLU 33 33 16034 1 . LEU 34 34 16034 1 . LYS 35 35 16034 1 . GLU 36 36 16034 1 . LEU 37 37 16034 1 . ILE 38 38 16034 1 . LYS 39 39 16034 1 . LYS 40 40 16034 1 . GLU 41 41 16034 1 . LEU 42 42 16034 1 . CYS 43 43 16034 1 . LEU 44 44 16034 1 . GLY 45 45 16034 1 . GLU 46 46 16034 1 . MET 47 47 16034 1 . LYS 48 48 16034 1 . GLU 49 49 16034 1 . SER 50 50 16034 1 . SER 51 51 16034 1 . ILE 52 52 16034 1 . ASP 53 53 16034 1 . ASP 54 54 16034 1 . LEU 55 55 16034 1 . MET 56 56 16034 1 . LYS 57 57 16034 1 . SER 58 58 16034 1 . LEU 59 59 16034 1 . ASP 60 60 16034 1 . LYS 61 61 16034 1 . ASN 62 62 16034 1 . SER 63 63 16034 1 . ASP 64 64 16034 1 . GLN 65 65 16034 1 . GLU 66 66 16034 1 . ILE 67 67 16034 1 . ASP 68 68 16034 1 . PHE 69 69 16034 1 . LYS 70 70 16034 1 . GLU 71 71 16034 1 . TYR 72 72 16034 1 . SER 73 73 16034 1 . VAL 74 74 16034 1 . PHE 75 75 16034 1 . LEU 76 76 16034 1 . THR 77 77 16034 1 . MET 78 78 16034 1 . LEU 79 79 16034 1 . CYS 80 80 16034 1 . MET 81 81 16034 1 . ALA 82 82 16034 1 . TYR 83 83 16034 1 . ASN 84 84 16034 1 . ASP 85 85 16034 1 . PHE 86 86 16034 1 . PHE 87 87 16034 1 . LEU 88 88 16034 1 . GLU 89 89 16034 1 . ASP 90 90 16034 1 . ASN 91 91 16034 1 . LYS 92 92 16034 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16034 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 16034 2 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 16034 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16034 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 16034 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 16034 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16034 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES CACTVS 3.341 16034 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16034 CA [Ca+2] SMILES ACDLabs 10.04 16034 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16034 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16034 CA InChI=1/Ca/q+2 InChI InChI 1.01 16034 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16034 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16034 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . no no . . . . . . . . . . . . . . . 16034 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16034 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 16034 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16034 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16034 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 16034 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16034 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16034 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16034 1 pH 6.5 . pH 16034 1 pressure 1 . atm 16034 1 temperature 298 . K 16034 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16034 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16034 1 processing 16034 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16034 _Software.ID 2 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16034 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16034 2 'data analysis' 16034 2 'peak picking' 16034 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16034 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16034 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16034 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16034 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16034 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16034 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16034 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16034 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16034 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 16034 1 2 spectrometer_2 Bruker Avance . 700 . . . 16034 1 3 spectrometer_3 Bruker Avance . 500 . . . 16034 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 16034 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16034 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16034 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16034 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16034 1 12 '1H-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16034 1 13 '15N R1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16034 1 14 '15N R2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16034 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16034 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methyl carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 16034 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 16034 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.102329118 . . . . . . . . . 16034 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16034 1 2 '2D 1H-13C HSQC' . . . 16034 1 3 '3D CBCA(CO)NH' . . . 16034 1 4 '3D HNCO' . . . 16034 1 5 '3D HNCA' . . . 16034 1 6 '3D HNCACB' . . . 16034 1 7 '3D HCCH-TOCSY' . . . 16034 1 8 '3D HBHA(CO)NH' . . . 16034 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16034 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.001 0.01 . 1 . . . . 1 MET HA . 16034 1 2 . 1 1 1 1 MET HB2 H 1 2.041 0.01 . 2 . . . . 1 MET QB . 16034 1 3 . 1 1 1 1 MET HB3 H 1 2.041 0.01 . 2 . . . . 1 MET QB . 16034 1 4 . 1 1 1 1 MET HG2 H 1 2.510 0.01 . 2 . . . . 1 MET QG . 16034 1 5 . 1 1 1 1 MET HG3 H 1 2.510 0.01 . 2 . . . . 1 MET QG . 16034 1 6 . 1 1 1 1 MET C C 13 171.427 0.2 . 1 . . . . 1 MET C . 16034 1 7 . 1 1 1 1 MET CA C 13 54.095 0.2 . 1 . . . . 1 MET CA . 16034 1 8 . 1 1 1 1 MET CB C 13 31.766 0.2 . 1 . . . . 1 MET CB . 16034 1 9 . 1 1 1 1 MET CG C 13 29.880 0.2 . 1 . . . . 1 MET CG . 16034 1 10 . 1 1 2 2 GLU H H 1 8.776 0.01 . 1 . . . . 2 GLU H . 16034 1 11 . 1 1 2 2 GLU HA H 1 4.535 0.01 . 1 . . . . 2 GLU HA . 16034 1 12 . 1 1 2 2 GLU HB2 H 1 1.839 0.01 . 2 . . . . 2 GLU HB2 . 16034 1 13 . 1 1 2 2 GLU HB3 H 1 1.990 0.01 . 2 . . . . 2 GLU HB3 . 16034 1 14 . 1 1 2 2 GLU HG2 H 1 2.182 0.01 . 2 . . . . 2 GLU QG . 16034 1 15 . 1 1 2 2 GLU HG3 H 1 2.182 0.01 . 2 . . . . 2 GLU QG . 16034 1 16 . 1 1 2 2 GLU C C 13 175.627 0.2 . 1 . . . . 2 GLU C . 16034 1 17 . 1 1 2 2 GLU CA C 13 55.573 0.2 . 1 . . . . 2 GLU CA . 16034 1 18 . 1 1 2 2 GLU CB C 13 30.569 0.2 . 1 . . . . 2 GLU CB . 16034 1 19 . 1 1 2 2 GLU CG C 13 35.733 0.2 . 1 . . . . 2 GLU CG . 16034 1 20 . 1 1 2 2 GLU N N 15 124.305 0.2 . 1 . . . . 2 GLU N . 16034 1 21 . 1 1 3 3 THR H H 1 8.835 0.01 . 1 . . . . 3 THR H . 16034 1 22 . 1 1 3 3 THR HA H 1 4.608 0.01 . 1 . . . . 3 THR HA . 16034 1 23 . 1 1 3 3 THR HB H 1 4.743 0.01 . 1 . . . . 3 THR HB . 16034 1 24 . 1 1 3 3 THR HG21 H 1 1.204 0.01 . . . . . . 3 THR QG2 . 16034 1 25 . 1 1 3 3 THR HG22 H 1 1.204 0.01 . . . . . . 3 THR QG2 . 16034 1 26 . 1 1 3 3 THR HG23 H 1 1.204 0.01 . . . . . . 3 THR QG2 . 16034 1 27 . 1 1 3 3 THR CA C 13 59.187 0.2 . 1 . . . . 3 THR CA . 16034 1 28 . 1 1 3 3 THR CB C 13 67.385 0.2 . 1 . . . . 3 THR CB . 16034 1 29 . 1 1 3 3 THR CG2 C 13 21.167 0.2 . 1 . . . . 3 THR CG2 . 16034 1 30 . 1 1 3 3 THR N N 15 116.176 0.2 . 1 . . . . 3 THR N . 16034 1 31 . 1 1 4 4 PRO HA H 1 4.158 0.01 . 1 . . . . 4 PRO HA . 16034 1 32 . 1 1 4 4 PRO HB2 H 1 2.325 0.01 . 2 . . . . 4 PRO HB2 . 16034 1 33 . 1 1 4 4 PRO HB3 H 1 1.961 0.01 . 2 . . . . 4 PRO HB3 . 16034 1 34 . 1 1 4 4 PRO HD2 H 1 4.084 0.01 . 2 . . . . 4 PRO HD2 . 16034 1 35 . 1 1 4 4 PRO HD3 H 1 3.861 0.01 . 2 . . . . 4 PRO HD3 . 16034 1 36 . 1 1 4 4 PRO HG2 H 1 2.207 0.01 . 2 . . . . 4 PRO HG2 . 16034 1 37 . 1 1 4 4 PRO HG3 H 1 1.956 0.01 . 2 . . . . 4 PRO HG3 . 16034 1 38 . 1 1 4 4 PRO C C 13 179.327 0.2 . 1 . . . . 4 PRO C . 16034 1 39 . 1 1 4 4 PRO CA C 13 65.040 0.2 . 1 . . . . 4 PRO CA . 16034 1 40 . 1 1 4 4 PRO CB C 13 30.616 0.2 . 1 . . . . 4 PRO CB . 16034 1 41 . 1 1 4 4 PRO CD C 13 49.461 0.2 . 1 . . . . 4 PRO CD . 16034 1 42 . 1 1 4 4 PRO CG C 13 27.467 0.2 . 1 . . . . 4 PRO CG . 16034 1 43 . 1 1 5 5 LEU H H 1 8.794 0.01 . 1 . . . . 5 LEU H . 16034 1 44 . 1 1 5 5 LEU HA H 1 3.944 0.01 . 1 . . . . 5 LEU HA . 16034 1 45 . 1 1 5 5 LEU HB2 H 1 1.820 0.01 . 2 . . . . 5 LEU HB2 . 16034 1 46 . 1 1 5 5 LEU HB3 H 1 1.590 0.01 . 2 . . . . 5 LEU HB3 . 16034 1 47 . 1 1 5 5 LEU HD11 H 1 0.733 0.01 . . . . . . 5 LEU QD1 . 16034 1 48 . 1 1 5 5 LEU HD12 H 1 0.733 0.01 . . . . . . 5 LEU QD1 . 16034 1 49 . 1 1 5 5 LEU HD13 H 1 0.733 0.01 . . . . . . 5 LEU QD1 . 16034 1 50 . 1 1 5 5 LEU HD21 H 1 0.845 0.01 . . . . . . 5 LEU QD2 . 16034 1 51 . 1 1 5 5 LEU HD22 H 1 0.845 0.01 . . . . . . 5 LEU QD2 . 16034 1 52 . 1 1 5 5 LEU HD23 H 1 0.845 0.01 . . . . . . 5 LEU QD2 . 16034 1 53 . 1 1 5 5 LEU HG H 1 1.475 0.01 . 1 . . . . 5 LEU HG . 16034 1 54 . 1 1 5 5 LEU C C 13 177.327 0.2 . 1 . . . . 5 LEU C . 16034 1 55 . 1 1 5 5 LEU CA C 13 56.920 0.2 . 1 . . . . 5 LEU CA . 16034 1 56 . 1 1 5 5 LEU CB C 13 41.139 0.2 . 1 . . . . 5 LEU CB . 16034 1 57 . 1 1 5 5 LEU CD1 C 13 24.317 0.2 . 2 . . . . 5 LEU CD1 . 16034 1 58 . 1 1 5 5 LEU CD2 C 13 22.509 0.2 . 2 . . . . 5 LEU CD2 . 16034 1 59 . 1 1 5 5 LEU CG C 13 26.169 0.2 . 1 . . . . 5 LEU CG . 16034 1 60 . 1 1 5 5 LEU N N 15 118.892 0.2 . 1 . . . . 5 LEU N . 16034 1 61 . 1 1 6 6 GLU H H 1 7.664 0.01 . 1 . . . . 6 GLU H . 16034 1 62 . 1 1 6 6 GLU HA H 1 3.744 0.01 . 1 . . . . 6 GLU HA . 16034 1 63 . 1 1 6 6 GLU HB2 H 1 2.313 0.01 . 2 . . . . 6 GLU HB2 . 16034 1 64 . 1 1 6 6 GLU HB3 H 1 2.045 0.01 . 2 . . . . 6 GLU HB3 . 16034 1 65 . 1 1 6 6 GLU HG2 H 1 2.594 0.01 . 2 . . . . 6 GLU HG2 . 16034 1 66 . 1 1 6 6 GLU HG3 H 1 2.293 0.01 . 2 . . . . 6 GLU HG3 . 16034 1 67 . 1 1 6 6 GLU C C 13 178.827 0.2 . 1 . . . . 6 GLU C . 16034 1 68 . 1 1 6 6 GLU CA C 13 59.347 0.2 . 1 . . . . 6 GLU CA . 16034 1 69 . 1 1 6 6 GLU CB C 13 28.700 0.2 . 1 . . . . 6 GLU CB . 16034 1 70 . 1 1 6 6 GLU CG C 13 36.079 0.2 . 1 . . . . 6 GLU CG . 16034 1 71 . 1 1 6 6 GLU N N 15 118.741 0.2 . 1 . . . . 6 GLU N . 16034 1 72 . 1 1 7 7 LYS H H 1 8.435 0.01 . 1 . . . . 7 LYS H . 16034 1 73 . 1 1 7 7 LYS HA H 1 3.909 0.01 . 1 . . . . 7 LYS HA . 16034 1 74 . 1 1 7 7 LYS HB2 H 1 1.754 0.01 . 2 . . . . 7 LYS HB2 . 16034 1 75 . 1 1 7 7 LYS HB3 H 1 1.810 0.01 . 2 . . . . 7 LYS HB3 . 16034 1 76 . 1 1 7 7 LYS HD2 H 1 1.552 0.01 . 2 . . . . 7 LYS QD . 16034 1 77 . 1 1 7 7 LYS HD3 H 1 1.552 0.01 . 2 . . . . 7 LYS QD . 16034 1 78 . 1 1 7 7 LYS HE2 H 1 2.861 0.01 . 2 . . . . 7 LYS QE . 16034 1 79 . 1 1 7 7 LYS HE3 H 1 2.861 0.01 . 2 . . . . 7 LYS QE . 16034 1 80 . 1 1 7 7 LYS HG2 H 1 1.428 0.01 . 2 . . . . 7 LYS QG . 16034 1 81 . 1 1 7 7 LYS HG3 H 1 1.428 0.01 . 2 . . . . 7 LYS QG . 16034 1 82 . 1 1 7 7 LYS C C 13 178.527 0.2 . 1 . . . . 7 LYS C . 16034 1 83 . 1 1 7 7 LYS CA C 13 58.539 0.2 . 1 . . . . 7 LYS CA . 16034 1 84 . 1 1 7 7 LYS CB C 13 31.217 0.2 . 1 . . . . 7 LYS CB . 16034 1 85 . 1 1 7 7 LYS CD C 13 28.100 0.2 . 1 . . . . 7 LYS CD . 16034 1 86 . 1 1 7 7 LYS CE C 13 41.161 0.2 . 1 . . . . 7 LYS CE . 16034 1 87 . 1 1 7 7 LYS CG C 13 24.253 0.2 . 1 . . . . 7 LYS CG . 16034 1 88 . 1 1 7 7 LYS N N 15 119.285 0.2 . 1 . . . . 7 LYS N . 16034 1 89 . 1 1 8 8 ALA H H 1 8.008 0.01 . 1 . . . . 8 ALA H . 16034 1 90 . 1 1 8 8 ALA HA H 1 4.038 0.01 . 1 . . . . 8 ALA HA . 16034 1 91 . 1 1 8 8 ALA HB1 H 1 1.554 0.01 . . . . . . 8 ALA QB . 16034 1 92 . 1 1 8 8 ALA HB2 H 1 1.554 0.01 . . . . . . 8 ALA QB . 16034 1 93 . 1 1 8 8 ALA HB3 H 1 1.554 0.01 . . . . . . 8 ALA QB . 16034 1 94 . 1 1 8 8 ALA C C 13 178.327 0.2 . 1 . . . . 8 ALA C . 16034 1 95 . 1 1 8 8 ALA CA C 13 54.356 0.2 . 1 . . . . 8 ALA CA . 16034 1 96 . 1 1 8 8 ALA CB C 13 17.509 0.2 . 1 . . . . 8 ALA CB . 16034 1 97 . 1 1 8 8 ALA N N 15 123.866 0.2 . 1 . . . . 8 ALA N . 16034 1 98 . 1 1 9 9 LEU H H 1 8.163 0.01 . 1 . . . . 9 LEU H . 16034 1 99 . 1 1 9 9 LEU HA H 1 3.809 0.01 . 1 . . . . 9 LEU HA . 16034 1 100 . 1 1 9 9 LEU HB2 H 1 0.773 0.01 . 2 . . . . 9 LEU HB2 . 16034 1 101 . 1 1 9 9 LEU HB3 H 1 1.646 0.01 . 2 . . . . 9 LEU HB3 . 16034 1 102 . 1 1 9 9 LEU HD11 H 1 0.570 0.01 . . . . . . 9 LEU QD1 . 16034 1 103 . 1 1 9 9 LEU HD12 H 1 0.570 0.01 . . . . . . 9 LEU QD1 . 16034 1 104 . 1 1 9 9 LEU HD13 H 1 0.570 0.01 . . . . . . 9 LEU QD1 . 16034 1 105 . 1 1 9 9 LEU HD21 H 1 0.417 0.01 . . . . . . 9 LEU QD2 . 16034 1 106 . 1 1 9 9 LEU HD22 H 1 0.417 0.01 . . . . . . 9 LEU QD2 . 16034 1 107 . 1 1 9 9 LEU HD23 H 1 0.417 0.01 . . . . . . 9 LEU QD2 . 16034 1 108 . 1 1 9 9 LEU HG H 1 1.646 0.01 . 1 . . . . 9 LEU HG . 16034 1 109 . 1 1 9 9 LEU C C 13 178.527 0.2 . 1 . . . . 9 LEU C . 16034 1 110 . 1 1 9 9 LEU CA C 13 57.256 0.2 . 1 . . . . 9 LEU CA . 16034 1 111 . 1 1 9 9 LEU CB C 13 40.483 0.2 . 1 . . . . 9 LEU CB . 16034 1 112 . 1 1 9 9 LEU CD1 C 13 23.052 0.2 . 2 . . . . 9 LEU CD1 . 16034 1 113 . 1 1 9 9 LEU CD2 C 13 25.630 0.2 . 2 . . . . 9 LEU CD2 . 16034 1 114 . 1 1 9 9 LEU CG C 13 25.740 0.2 . 1 . . . . 9 LEU CG . 16034 1 115 . 1 1 9 9 LEU N N 15 119.134 0.2 . 1 . . . . 9 LEU N . 16034 1 116 . 1 1 10 10 THR H H 1 8.186 0.01 . 1 . . . . 10 THR H . 16034 1 117 . 1 1 10 10 THR HA H 1 3.741 0.01 . 1 . . . . 10 THR HA . 16034 1 118 . 1 1 10 10 THR HB H 1 4.264 0.01 . 1 . . . . 10 THR HB . 16034 1 119 . 1 1 10 10 THR HG21 H 1 1.157 0.01 . . . . . . 10 THR QG2 . 16034 1 120 . 1 1 10 10 THR HG22 H 1 1.157 0.01 . . . . . . 10 THR QG2 . 16034 1 121 . 1 1 10 10 THR HG23 H 1 1.157 0.01 . . . . . . 10 THR QG2 . 16034 1 122 . 1 1 10 10 THR C C 13 176.727 0.2 . 1 . . . . 10 THR C . 16034 1 123 . 1 1 10 10 THR CA C 13 66.345 0.2 . 1 . . . . 10 THR CA . 16034 1 124 . 1 1 10 10 THR CB C 13 67.558 0.2 . 1 . . . . 10 THR CB . 16034 1 125 . 1 1 10 10 THR CG2 C 13 20.819 0.2 . 1 . . . . 10 THR CG2 . 16034 1 126 . 1 1 10 10 THR N N 15 114.355 0.2 . 1 . . . . 10 THR N . 16034 1 127 . 1 1 11 11 THR H H 1 8.387 0.01 . 1 . . . . 11 THR H . 16034 1 128 . 1 1 11 11 THR HA H 1 3.963 0.01 . 1 . . . . 11 THR HA . 16034 1 129 . 1 1 11 11 THR HB H 1 4.294 0.01 . 1 . . . . 11 THR HB . 16034 1 130 . 1 1 11 11 THR HG21 H 1 0.950 0.01 . . . . . . 11 THR QG2 . 16034 1 131 . 1 1 11 11 THR HG22 H 1 0.950 0.01 . . . . . . 11 THR QG2 . 16034 1 132 . 1 1 11 11 THR HG23 H 1 0.950 0.01 . . . . . . 11 THR QG2 . 16034 1 133 . 1 1 11 11 THR C C 13 176.827 0.2 . 1 . . . . 11 THR C . 16034 1 134 . 1 1 11 11 THR CA C 13 65.801 0.2 . 1 . . . . 11 THR CA . 16034 1 135 . 1 1 11 11 THR CB C 13 67.140 0.2 . 1 . . . . 11 THR CB . 16034 1 136 . 1 1 11 11 THR CG2 C 13 20.569 0.2 . 1 . . . . 11 THR CG2 . 16034 1 137 . 1 1 11 11 THR N N 15 120.801 0.2 . 1 . . . . 11 THR N . 16034 1 138 . 1 1 12 12 MET H H 1 8.299 0.01 . 1 . . . . 12 MET H . 16034 1 139 . 1 1 12 12 MET HA H 1 3.872 0.01 . 1 . . . . 12 MET HA . 16034 1 140 . 1 1 12 12 MET HB2 H 1 2.655 0.01 . 2 . . . . 12 MET HB2 . 16034 1 141 . 1 1 12 12 MET HB3 H 1 1.553 0.01 . 2 . . . . 12 MET HB3 . 16034 1 142 . 1 1 12 12 MET HE1 H 1 1.751 0.01 . . . . . . 12 MET QE . 16034 1 143 . 1 1 12 12 MET HE2 H 1 1.751 0.01 . . . . . . 12 MET QE . 16034 1 144 . 1 1 12 12 MET HE3 H 1 1.751 0.01 . . . . . . 12 MET QE . 16034 1 145 . 1 1 12 12 MET HG2 H 1 2.431 0.01 . 2 . . . . 12 MET HG2 . 16034 1 146 . 1 1 12 12 MET HG3 H 1 1.955 0.01 . 2 . . . . 12 MET HG3 . 16034 1 147 . 1 1 12 12 MET C C 13 177.827 0.2 . 1 . . . . 12 MET C . 16034 1 148 . 1 1 12 12 MET CA C 13 59.263 0.2 . 1 . . . . 12 MET CA . 16034 1 149 . 1 1 12 12 MET CB C 13 31.845 0.2 . 1 . . . . 12 MET CB . 16034 1 150 . 1 1 12 12 MET CE C 13 18.102 0.2 . 1 . . . . 12 MET CE . 16034 1 151 . 1 1 12 12 MET CG C 13 30.744 0.2 . 1 . . . . 12 MET CG . 16034 1 152 . 1 1 12 12 MET N N 15 124.102 0.2 . 1 . . . . 12 MET N . 16034 1 153 . 1 1 13 13 VAL H H 1 7.820 0.01 . 1 . . . . 13 VAL H . 16034 1 154 . 1 1 13 13 VAL HA H 1 3.937 0.01 . 1 . . . . 13 VAL HA . 16034 1 155 . 1 1 13 13 VAL HB H 1 2.300 0.01 . 1 . . . . 13 VAL HB . 16034 1 156 . 1 1 13 13 VAL HG11 H 1 1.181 0.01 . . . . . . 13 VAL QG1 . 16034 1 157 . 1 1 13 13 VAL HG12 H 1 1.181 0.01 . . . . . . 13 VAL QG1 . 16034 1 158 . 1 1 13 13 VAL HG13 H 1 1.181 0.01 . . . . . . 13 VAL QG1 . 16034 1 159 . 1 1 13 13 VAL HG21 H 1 0.803 0.01 . . . . . . 13 VAL QG2 . 16034 1 160 . 1 1 13 13 VAL HG22 H 1 0.803 0.01 . . . . . . 13 VAL QG2 . 16034 1 161 . 1 1 13 13 VAL HG23 H 1 0.803 0.01 . . . . . . 13 VAL QG2 . 16034 1 162 . 1 1 13 13 VAL C C 13 177.127 0.2 . 1 . . . . 13 VAL C . 16034 1 163 . 1 1 13 13 VAL CA C 13 65.677 0.2 . 1 . . . . 13 VAL CA . 16034 1 164 . 1 1 13 13 VAL CB C 13 31.656 0.2 . 1 . . . . 13 VAL CB . 16034 1 165 . 1 1 13 13 VAL CG1 C 13 22.462 0.2 . 2 . . . . 13 VAL CG1 . 16034 1 166 . 1 1 13 13 VAL CG2 C 13 20.567 0.2 . 2 . . . . 13 VAL CG2 . 16034 1 167 . 1 1 13 13 VAL N N 15 119.838 0.2 . 1 . . . . 13 VAL N . 16034 1 168 . 1 1 14 14 THR H H 1 9.107 0.01 . 1 . . . . 14 THR H . 16034 1 169 . 1 1 14 14 THR HA H 1 3.654 0.01 . 1 . . . . 14 THR HA . 16034 1 170 . 1 1 14 14 THR HB H 1 4.194 0.01 . 1 . . . . 14 THR HB . 16034 1 171 . 1 1 14 14 THR HG21 H 1 1.222 0.01 . . . . . . 14 THR QG2 . 16034 1 172 . 1 1 14 14 THR HG22 H 1 1.222 0.01 . . . . . . 14 THR QG2 . 16034 1 173 . 1 1 14 14 THR HG23 H 1 1.222 0.01 . . . . . . 14 THR QG2 . 16034 1 174 . 1 1 14 14 THR C C 13 177.527 0.2 . 1 . . . . 14 THR C . 16034 1 175 . 1 1 14 14 THR CA C 13 65.273 0.2 . 1 . . . . 14 THR CA . 16034 1 176 . 1 1 14 14 THR CB C 13 67.652 0.2 . 1 . . . . 14 THR CB . 16034 1 177 . 1 1 14 14 THR CG2 C 13 21.137 0.2 . 1 . . . . 14 THR CG2 . 16034 1 178 . 1 1 14 14 THR N N 15 112.247 0.2 . 1 . . . . 14 THR N . 16034 1 179 . 1 1 15 15 THR H H 1 8.189 0.01 . 1 . . . . 15 THR H . 16034 1 180 . 1 1 15 15 THR HA H 1 3.864 0.01 . 1 . . . . 15 THR HA . 16034 1 181 . 1 1 15 15 THR HB H 1 3.726 0.01 . 1 . . . . 15 THR HB . 16034 1 182 . 1 1 15 15 THR HG1 H 1 5.483 0.01 . 1 . . . . 15 THR HG1 . 16034 1 183 . 1 1 15 15 THR HG21 H 1 1.339 0.01 . . . . . . 15 THR QG2 . 16034 1 184 . 1 1 15 15 THR HG22 H 1 1.339 0.01 . . . . . . 15 THR QG2 . 16034 1 185 . 1 1 15 15 THR HG23 H 1 1.339 0.01 . . . . . . 15 THR QG2 . 16034 1 186 . 1 1 15 15 THR C C 13 173.627 0.2 . 1 . . . . 15 THR C . 16034 1 187 . 1 1 15 15 THR CA C 13 66.930 0.2 . 1 . . . . 15 THR CA . 16034 1 188 . 1 1 15 15 THR CB C 13 66.539 0.2 . 1 . . . . 15 THR CB . 16034 1 189 . 1 1 15 15 THR CG2 C 13 20.525 0.2 . 1 . . . . 15 THR CG2 . 16034 1 190 . 1 1 15 15 THR N N 15 117.691 0.2 . 1 . . . . 15 THR N . 16034 1 191 . 1 1 16 16 PHE H H 1 6.850 0.01 . 1 . . . . 16 PHE H . 16034 1 192 . 1 1 16 16 PHE HA H 1 3.417 0.01 . 1 . . . . 16 PHE HA . 16034 1 193 . 1 1 16 16 PHE HB2 H 1 3.056 0.01 . 2 . . . . 16 PHE HB2 . 16034 1 194 . 1 1 16 16 PHE HB3 H 1 2.474 0.01 . 2 . . . . 16 PHE HB3 . 16034 1 195 . 1 1 16 16 PHE HD1 H 1 6.647 0.01 . 3 . . . . 16 PHE QD . 16034 1 196 . 1 1 16 16 PHE HD2 H 1 6.647 0.01 . 3 . . . . 16 PHE QD . 16034 1 197 . 1 1 16 16 PHE HE1 H 1 7.255 0.01 . 3 . . . . 16 PHE QE . 16034 1 198 . 1 1 16 16 PHE HE2 H 1 7.255 0.01 . 3 . . . . 16 PHE QE . 16034 1 199 . 1 1 16 16 PHE C C 13 175.627 0.2 . 1 . . . . 16 PHE C . 16034 1 200 . 1 1 16 16 PHE CA C 13 61.577 0.2 . 1 . . . . 16 PHE CA . 16034 1 201 . 1 1 16 16 PHE CB C 13 38.177 0.2 . 1 . . . . 16 PHE CB . 16034 1 202 . 1 1 16 16 PHE N N 15 120.169 0.2 . 1 . . . . 16 PHE N . 16034 1 203 . 1 1 17 17 HIS H H 1 6.924 0.01 . 1 . . . . 17 HIS H . 16034 1 204 . 1 1 17 17 HIS HA H 1 4.755 0.01 . 1 . . . . 17 HIS HA . 16034 1 205 . 1 1 17 17 HIS HB2 H 1 2.624 0.01 . 2 . . . . 17 HIS HB2 . 16034 1 206 . 1 1 17 17 HIS HB3 H 1 3.184 0.01 . 2 . . . . 17 HIS HB3 . 16034 1 207 . 1 1 17 17 HIS C C 13 176.227 0.2 . 1 . . . . 17 HIS C . 16034 1 208 . 1 1 17 17 HIS CA C 13 56.810 0.2 . 1 . . . . 17 HIS CA . 16034 1 209 . 1 1 17 17 HIS CB C 13 29.597 0.2 . 1 . . . . 17 HIS CB . 16034 1 210 . 1 1 17 17 HIS N N 15 115.499 0.2 . 1 . . . . 17 HIS N . 16034 1 211 . 1 1 18 18 LYS H H 1 7.888 0.01 . 1 . . . . 18 LYS H . 16034 1 212 . 1 1 18 18 LYS HA H 1 3.870 0.01 . 1 . . . . 18 LYS HA . 16034 1 213 . 1 1 18 18 LYS HB2 H 1 1.777 0.01 . 2 . . . . 18 LYS HB2 . 16034 1 214 . 1 1 18 18 LYS HB3 H 1 2.252 0.01 . 2 . . . . 18 LYS HB3 . 16034 1 215 . 1 1 18 18 LYS HD2 H 1 1.492 0.01 . 2 . . . . 18 LYS QD . 16034 1 216 . 1 1 18 18 LYS HD3 H 1 1.492 0.01 . 2 . . . . 18 LYS QD . 16034 1 217 . 1 1 18 18 LYS HE2 H 1 2.738 0.01 . 2 . . . . 18 LYS QE . 16034 1 218 . 1 1 18 18 LYS HE3 H 1 2.738 0.01 . 2 . . . . 18 LYS QE . 16034 1 219 . 1 1 18 18 LYS HG2 H 1 0.497 0.01 . 2 . . . . 18 LYS HG2 . 16034 1 220 . 1 1 18 18 LYS HG3 H 1 1.175 0.01 . 2 . . . . 18 LYS HG3 . 16034 1 221 . 1 1 18 18 LYS C C 13 176.927 0.2 . 1 . . . . 18 LYS C . 16034 1 222 . 1 1 18 18 LYS CA C 13 57.897 0.2 . 1 . . . . 18 LYS CA . 16034 1 223 . 1 1 18 18 LYS CB C 13 31.582 0.2 . 1 . . . . 18 LYS CB . 16034 1 224 . 1 1 18 18 LYS CD C 13 28.752 0.2 . 1 . . . . 18 LYS CD . 16034 1 225 . 1 1 18 18 LYS CE C 13 40.930 0.2 . 1 . . . . 18 LYS CE . 16034 1 226 . 1 1 18 18 LYS CG C 13 23.814 0.2 . 1 . . . . 18 LYS CG . 16034 1 227 . 1 1 18 18 LYS N N 15 121.217 0.2 . 1 . . . . 18 LYS N . 16034 1 228 . 1 1 19 19 TYR H H 1 6.928 0.01 . 1 . . . . 19 TYR H . 16034 1 229 . 1 1 19 19 TYR HA H 1 4.163 0.01 . 1 . . . . 19 TYR HA . 16034 1 230 . 1 1 19 19 TYR HB2 H 1 2.875 0.01 . 2 . . . . 19 TYR HB2 . 16034 1 231 . 1 1 19 19 TYR HB3 H 1 2.230 0.01 . 2 . . . . 19 TYR HB3 . 16034 1 232 . 1 1 19 19 TYR HD1 H 1 7.307 0.01 . 3 . . . . 19 TYR QD . 16034 1 233 . 1 1 19 19 TYR HD2 H 1 7.307 0.01 . 3 . . . . 19 TYR QD . 16034 1 234 . 1 1 19 19 TYR C C 13 175.027 0.2 . 1 . . . . 19 TYR C . 16034 1 235 . 1 1 19 19 TYR CA C 13 59.335 0.2 . 1 . . . . 19 TYR CA . 16034 1 236 . 1 1 19 19 TYR CB C 13 39.515 0.2 . 1 . . . . 19 TYR CB . 16034 1 237 . 1 1 19 19 TYR N N 15 114.488 0.2 . 1 . . . . 19 TYR N . 16034 1 238 . 1 1 20 20 SER H H 1 8.021 0.01 . 1 . . . . 20 SER H . 16034 1 239 . 1 1 20 20 SER HA H 1 3.105 0.01 . 1 . . . . 20 SER HA . 16034 1 240 . 1 1 20 20 SER HB2 H 1 3.704 0.01 . 2 . . . . 20 SER HB2 . 16034 1 241 . 1 1 20 20 SER HB3 H 1 2.266 0.01 . 2 . . . . 20 SER HB3 . 16034 1 242 . 1 1 20 20 SER C C 13 176.527 0.2 . 1 . . . . 20 SER C . 16034 1 243 . 1 1 20 20 SER CA C 13 60.457 0.2 . 1 . . . . 20 SER CA . 16034 1 244 . 1 1 20 20 SER CB C 13 60.326 0.2 . 1 . . . . 20 SER CB . 16034 1 245 . 1 1 20 20 SER N N 15 112.624 0.2 . 1 . . . . 20 SER N . 16034 1 246 . 1 1 21 21 GLY H H 1 7.908 0.01 . 1 . . . . 21 GLY H . 16034 1 247 . 1 1 21 21 GLY HA2 H 1 4.197 0.01 . 2 . . . . 21 GLY HA2 . 16034 1 248 . 1 1 21 21 GLY HA3 H 1 3.761 0.01 . 2 . . . . 21 GLY HA3 . 16034 1 249 . 1 1 21 21 GLY C C 13 173.027 0.2 . 1 . . . . 21 GLY C . 16034 1 250 . 1 1 21 21 GLY CA C 13 44.357 0.2 . 1 . . . . 21 GLY CA . 16034 1 251 . 1 1 21 21 GLY N N 15 112.095 0.2 . 1 . . . . 21 GLY N . 16034 1 252 . 1 1 22 22 ARG H H 1 7.470 0.01 . 1 . . . . 22 ARG H . 16034 1 253 . 1 1 22 22 ARG HA H 1 3.956 0.01 . 1 . . . . 22 ARG HA . 16034 1 254 . 1 1 22 22 ARG HB2 H 1 1.890 0.01 . 2 . . . . 22 ARG HB2 . 16034 1 255 . 1 1 22 22 ARG HB3 H 1 2.118 0.01 . 2 . . . . 22 ARG HB3 . 16034 1 256 . 1 1 22 22 ARG HD2 H 1 3.168 0.01 . 2 . . . . 22 ARG QD . 16034 1 257 . 1 1 22 22 ARG HD3 H 1 3.168 0.01 . 2 . . . . 22 ARG QD . 16034 1 258 . 1 1 22 22 ARG HG2 H 1 1.718 0.01 . 2 . . . . 22 ARG HG2 . 16034 1 259 . 1 1 22 22 ARG HG3 H 1 1.645 0.01 . 2 . . . . 22 ARG HG3 . 16034 1 260 . 1 1 22 22 ARG C C 13 176.327 0.2 . 1 . . . . 22 ARG C . 16034 1 261 . 1 1 22 22 ARG CA C 13 58.189 0.2 . 1 . . . . 22 ARG CA . 16034 1 262 . 1 1 22 22 ARG CB C 13 29.483 0.2 . 1 . . . . 22 ARG CB . 16034 1 263 . 1 1 22 22 ARG CD C 13 42.449 0.2 . 1 . . . . 22 ARG CD . 16034 1 264 . 1 1 22 22 ARG CG C 13 26.824 0.2 . 1 . . . . 22 ARG CG . 16034 1 265 . 1 1 22 22 ARG N N 15 122.481 0.2 . 1 . . . . 22 ARG N . 16034 1 266 . 1 1 23 23 GLU H H 1 9.412 0.01 . 1 . . . . 23 GLU H . 16034 1 267 . 1 1 23 23 GLU HA H 1 4.626 0.01 . 1 . . . . 23 GLU HA . 16034 1 268 . 1 1 23 23 GLU HB2 H 1 1.911 0.01 . 2 . . . . 23 GLU HB2 . 16034 1 269 . 1 1 23 23 GLU HB3 H 1 1.770 0.01 . 2 . . . . 23 GLU HB3 . 16034 1 270 . 1 1 23 23 GLU HG2 H 1 2.006 0.01 . 2 . . . . 23 GLU HG2 . 16034 1 271 . 1 1 23 23 GLU HG3 H 1 1.823 0.01 . 2 . . . . 23 GLU HG3 . 16034 1 272 . 1 1 23 23 GLU C C 13 175.027 0.2 . 1 . . . . 23 GLU C . 16034 1 273 . 1 1 23 23 GLU CA C 13 53.319 0.2 . 1 . . . . 23 GLU CA . 16034 1 274 . 1 1 23 23 GLU CB C 13 32.032 0.2 . 1 . . . . 23 GLU CB . 16034 1 275 . 1 1 23 23 GLU CG C 13 33.394 0.2 . 1 . . . . 23 GLU CG . 16034 1 276 . 1 1 23 23 GLU N N 15 116.123 0.2 . 1 . . . . 23 GLU N . 16034 1 277 . 1 1 24 24 GLY H H 1 9.080 0.01 . 1 . . . . 24 GLY H . 16034 1 278 . 1 1 24 24 GLY HA2 H 1 3.694 0.01 . 2 . . . . 24 GLY HA2 . 16034 1 279 . 1 1 24 24 GLY HA3 H 1 3.878 0.01 . 2 . . . . 24 GLY HA3 . 16034 1 280 . 1 1 24 24 GLY C C 13 172.827 0.2 . 1 . . . . 24 GLY C . 16034 1 281 . 1 1 24 24 GLY CA C 13 44.707 0.2 . 1 . . . . 24 GLY CA . 16034 1 282 . 1 1 24 24 GLY N N 15 114.015 0.2 . 1 . . . . 24 GLY N . 16034 1 283 . 1 1 25 25 SER H H 1 8.465 0.01 . 1 . . . . 25 SER H . 16034 1 284 . 1 1 25 25 SER HA H 1 4.312 0.01 . 1 . . . . 25 SER HA . 16034 1 285 . 1 1 25 25 SER HB2 H 1 3.985 0.01 . 2 . . . . 25 SER HB2 . 16034 1 286 . 1 1 25 25 SER HB3 H 1 3.914 0.01 . 2 . . . . 25 SER HB3 . 16034 1 287 . 1 1 25 25 SER C C 13 178.027 0.2 . 1 . . . . 25 SER C . 16034 1 288 . 1 1 25 25 SER CA C 13 57.478 0.2 . 1 . . . . 25 SER CA . 16034 1 289 . 1 1 25 25 SER CB C 13 61.941 0.2 . 1 . . . . 25 SER CB . 16034 1 290 . 1 1 25 25 SER N N 15 117.299 0.2 . 1 . . . . 25 SER N . 16034 1 291 . 1 1 26 26 LYS H H 1 9.532 0.01 . 1 . . . . 26 LYS H . 16034 1 292 . 1 1 26 26 LYS HA H 1 4.660 0.01 . 1 . . . . 26 LYS HA . 16034 1 293 . 1 1 26 26 LYS HB2 H 1 1.956 0.01 . 2 . . . . 26 LYS QB . 16034 1 294 . 1 1 26 26 LYS HB3 H 1 1.956 0.01 . 2 . . . . 26 LYS QB . 16034 1 295 . 1 1 26 26 LYS HD2 H 1 1.657 0.01 . 2 . . . . 26 LYS QD . 16034 1 296 . 1 1 26 26 LYS HD3 H 1 1.657 0.01 . 2 . . . . 26 LYS QD . 16034 1 297 . 1 1 26 26 LYS HE2 H 1 2.982 0.01 . 2 . . . . 26 LYS QE . 16034 1 298 . 1 1 26 26 LYS HE3 H 1 2.982 0.01 . 2 . . . . 26 LYS QE . 16034 1 299 . 1 1 26 26 LYS HG2 H 1 1.471 0.01 . 2 . . . . 26 LYS QG . 16034 1 300 . 1 1 26 26 LYS HG3 H 1 1.471 0.01 . 2 . . . . 26 LYS QG . 16034 1 301 . 1 1 26 26 LYS C C 13 176.127 0.2 . 1 . . . . 26 LYS C . 16034 1 302 . 1 1 26 26 LYS CA C 13 56.928 0.2 . 1 . . . . 26 LYS CA . 16034 1 303 . 1 1 26 26 LYS CB C 13 30.526 0.2 . 1 . . . . 26 LYS CB . 16034 1 304 . 1 1 26 26 LYS CD C 13 28.232 0.2 . 1 . . . . 26 LYS CD . 16034 1 305 . 1 1 26 26 LYS CE C 13 41.277 0.2 . 1 . . . . 26 LYS CE . 16034 1 306 . 1 1 26 26 LYS CG C 13 23.856 0.2 . 1 . . . . 26 LYS CG . 16034 1 307 . 1 1 26 26 LYS N N 15 131.209 0.2 . 1 . . . . 26 LYS N . 16034 1 308 . 1 1 27 27 LEU H H 1 8.643 0.01 . 1 . . . . 27 LEU H . 16034 1 309 . 1 1 27 27 LEU HA H 1 4.583 0.01 . 1 . . . . 27 LEU HA . 16034 1 310 . 1 1 27 27 LEU HB2 H 1 1.690 0.01 . 2 . . . . 27 LEU HB2 . 16034 1 311 . 1 1 27 27 LEU HB3 H 1 1.821 0.01 . 2 . . . . 27 LEU HB3 . 16034 1 312 . 1 1 27 27 LEU HD11 H 1 0.929 0.01 . . . . . . 27 LEU QD1 . 16034 1 313 . 1 1 27 27 LEU HD12 H 1 0.929 0.01 . . . . . . 27 LEU QD1 . 16034 1 314 . 1 1 27 27 LEU HD13 H 1 0.929 0.01 . . . . . . 27 LEU QD1 . 16034 1 315 . 1 1 27 27 LEU HD21 H 1 0.957 0.01 . . . . . . 27 LEU QD2 . 16034 1 316 . 1 1 27 27 LEU HD22 H 1 0.957 0.01 . . . . . . 27 LEU QD2 . 16034 1 317 . 1 1 27 27 LEU HD23 H 1 0.957 0.01 . . . . . . 27 LEU QD2 . 16034 1 318 . 1 1 27 27 LEU HG H 1 1.605 0.01 . 1 . . . . 27 LEU HG . 16034 1 319 . 1 1 27 27 LEU C C 13 174.827 0.2 . 1 . . . . 27 LEU C . 16034 1 320 . 1 1 27 27 LEU CA C 13 53.205 0.2 . 1 . . . . 27 LEU CA . 16034 1 321 . 1 1 27 27 LEU CB C 13 41.824 0.2 . 1 . . . . 27 LEU CB . 16034 1 322 . 1 1 27 27 LEU CD1 C 13 24.292 0.2 . 2 . . . . 27 LEU CD1 . 16034 1 323 . 1 1 27 27 LEU CD2 C 13 21.782 0.2 . 2 . . . . 27 LEU CD2 . 16034 1 324 . 1 1 27 27 LEU CG C 13 26.427 0.2 . 1 . . . . 27 LEU CG . 16034 1 325 . 1 1 27 27 LEU N N 15 118.729 0.2 . 1 . . . . 27 LEU N . 16034 1 326 . 1 1 28 28 THR H H 1 7.037 0.01 . 1 . . . . 28 THR H . 16034 1 327 . 1 1 28 28 THR HA H 1 5.168 0.01 . 1 . . . . 28 THR HA . 16034 1 328 . 1 1 28 28 THR HB H 1 3.887 0.01 . 1 . . . . 28 THR HB . 16034 1 329 . 1 1 28 28 THR HG21 H 1 1.039 0.01 . . . . . . 28 THR QG2 . 16034 1 330 . 1 1 28 28 THR HG22 H 1 1.039 0.01 . . . . . . 28 THR QG2 . 16034 1 331 . 1 1 28 28 THR HG23 H 1 1.039 0.01 . . . . . . 28 THR QG2 . 16034 1 332 . 1 1 28 28 THR C C 13 172.727 0.2 . 1 . . . . 28 THR C . 16034 1 333 . 1 1 28 28 THR CA C 13 57.915 0.2 . 1 . . . . 28 THR CA . 16034 1 334 . 1 1 28 28 THR CB C 13 71.934 0.2 . 1 . . . . 28 THR CB . 16034 1 335 . 1 1 28 28 THR CG2 C 13 20.078 0.2 . 1 . . . . 28 THR CG2 . 16034 1 336 . 1 1 28 28 THR N N 15 104.663 0.2 . 1 . . . . 28 THR N . 16034 1 337 . 1 1 29 29 LEU H H 1 9.517 0.01 . 1 . . . . 29 LEU H . 16034 1 338 . 1 1 29 29 LEU HA H 1 5.196 0.01 . 1 . . . . 29 LEU HA . 16034 1 339 . 1 1 29 29 LEU HB2 H 1 1.167 0.01 . 2 . . . . 29 LEU HB2 . 16034 1 340 . 1 1 29 29 LEU HB3 H 1 1.841 0.01 . 2 . . . . 29 LEU HB3 . 16034 1 341 . 1 1 29 29 LEU HD11 H 1 0.090 0.01 . . . . . . 29 LEU QD1 . 16034 1 342 . 1 1 29 29 LEU HD12 H 1 0.090 0.01 . . . . . . 29 LEU QD1 . 16034 1 343 . 1 1 29 29 LEU HD13 H 1 0.090 0.01 . . . . . . 29 LEU QD1 . 16034 1 344 . 1 1 29 29 LEU HD21 H 1 0.503 0.01 . . . . . . 29 LEU QD2 . 16034 1 345 . 1 1 29 29 LEU HD22 H 1 0.503 0.01 . . . . . . 29 LEU QD2 . 16034 1 346 . 1 1 29 29 LEU HD23 H 1 0.503 0.01 . . . . . . 29 LEU QD2 . 16034 1 347 . 1 1 29 29 LEU HG H 1 0.973 0.01 . 1 . . . . 29 LEU HG . 16034 1 348 . 1 1 29 29 LEU C C 13 175.527 0.2 . 1 . . . . 29 LEU C . 16034 1 349 . 1 1 29 29 LEU CA C 13 51.653 0.2 . 1 . . . . 29 LEU CA . 16034 1 350 . 1 1 29 29 LEU CB C 13 42.301 0.2 . 1 . . . . 29 LEU CB . 16034 1 351 . 1 1 29 29 LEU CD1 C 13 23.040 0.2 . 2 . . . . 29 LEU CD1 . 16034 1 352 . 1 1 29 29 LEU CD2 C 13 26.378 0.2 . 2 . . . . 29 LEU CD2 . 16034 1 353 . 1 1 29 29 LEU CG C 13 23.783 0.2 . 1 . . . . 29 LEU CG . 16034 1 354 . 1 1 29 29 LEU N N 15 125.388 0.2 . 1 . . . . 29 LEU N . 16034 1 355 . 1 1 30 30 SER H H 1 10.053 0.01 . 1 . . . . 30 SER H . 16034 1 356 . 1 1 30 30 SER HA H 1 4.475 0.01 . 1 . . . . 30 SER HA . 16034 1 357 . 1 1 30 30 SER HB2 H 1 3.923 0.01 . 2 . . . . 30 SER QB . 16034 1 358 . 1 1 30 30 SER HB3 H 1 3.923 0.01 . 2 . . . . 30 SER QB . 16034 1 359 . 1 1 30 30 SER C C 13 173.427 0.2 . 1 . . . . 30 SER C . 16034 1 360 . 1 1 30 30 SER CA C 13 55.011 0.2 . 1 . . . . 30 SER CA . 16034 1 361 . 1 1 30 30 SER CB C 13 64.446 0.2 . 1 . . . . 30 SER CB . 16034 1 362 . 1 1 30 30 SER N N 15 121.114 0.2 . 1 . . . . 30 SER N . 16034 1 363 . 1 1 31 31 ARG H H 1 8.992 0.01 . 1 . . . . 31 ARG H . 16034 1 364 . 1 1 31 31 ARG HA H 1 3.923 0.01 . 1 . . . . 31 ARG HA . 16034 1 365 . 1 1 31 31 ARG HB2 H 1 1.667 0.01 . 2 . . . . 31 ARG HB2 . 16034 1 366 . 1 1 31 31 ARG HB3 H 1 1.789 0.01 . 2 . . . . 31 ARG HB3 . 16034 1 367 . 1 1 31 31 ARG HD2 H 1 3.124 0.01 . 2 . . . . 31 ARG QD . 16034 1 368 . 1 1 31 31 ARG HD3 H 1 3.124 0.01 . 2 . . . . 31 ARG QD . 16034 1 369 . 1 1 31 31 ARG HG2 H 1 1.420 0.01 . 2 . . . . 31 ARG HG2 . 16034 1 370 . 1 1 31 31 ARG HG3 H 1 1.490 0.01 . 2 . . . . 31 ARG HG3 . 16034 1 371 . 1 1 31 31 ARG C C 13 177.027 0.2 . 1 . . . . 31 ARG C . 16034 1 372 . 1 1 31 31 ARG CA C 13 59.408 0.2 . 1 . . . . 31 ARG CA . 16034 1 373 . 1 1 31 31 ARG CB C 13 29.041 0.2 . 1 . . . . 31 ARG CB . 16034 1 374 . 1 1 31 31 ARG CD C 13 42.218 0.2 . 1 . . . . 31 ARG CD . 16034 1 375 . 1 1 31 31 ARG CG C 13 26.814 0.2 . 1 . . . . 31 ARG CG . 16034 1 376 . 1 1 31 31 ARG N N 15 120.513 0.2 . 1 . . . . 31 ARG N . 16034 1 377 . 1 1 32 32 LYS H H 1 7.845 0.01 . 1 . . . . 32 LYS H . 16034 1 378 . 1 1 32 32 LYS HA H 1 3.826 0.01 . 1 . . . . 32 LYS HA . 16034 1 379 . 1 1 32 32 LYS HB2 H 1 1.636 0.01 . 2 . . . . 32 LYS QB . 16034 1 380 . 1 1 32 32 LYS HB3 H 1 1.636 0.01 . 2 . . . . 32 LYS QB . 16034 1 381 . 1 1 32 32 LYS HD2 H 1 1.632 0.01 . 2 . . . . 32 LYS QD . 16034 1 382 . 1 1 32 32 LYS HD3 H 1 1.632 0.01 . 2 . . . . 32 LYS QD . 16034 1 383 . 1 1 32 32 LYS HE2 H 1 2.881 0.01 . 2 . . . . 32 LYS QE . 16034 1 384 . 1 1 32 32 LYS HE3 H 1 2.881 0.01 . 2 . . . . 32 LYS QE . 16034 1 385 . 1 1 32 32 LYS HG2 H 1 1.240 0.01 . 2 . . . . 32 LYS QG . 16034 1 386 . 1 1 32 32 LYS HG3 H 1 1.240 0.01 . 2 . . . . 32 LYS QG . 16034 1 387 . 1 1 32 32 LYS C C 13 178.927 0.2 . 1 . . . . 32 LYS C . 16034 1 388 . 1 1 32 32 LYS CA C 13 58.677 0.2 . 1 . . . . 32 LYS CA . 16034 1 389 . 1 1 32 32 LYS CB C 13 31.964 0.2 . 1 . . . . 32 LYS CB . 16034 1 390 . 1 1 32 32 LYS CD C 13 28.681 0.2 . 1 . . . . 32 LYS CD . 16034 1 391 . 1 1 32 32 LYS CE C 13 40.665 0.2 . 1 . . . . 32 LYS CE . 16034 1 392 . 1 1 32 32 LYS CG C 13 23.694 0.2 . 1 . . . . 32 LYS CG . 16034 1 393 . 1 1 32 32 LYS N N 15 117.011 0.2 . 1 . . . . 32 LYS N . 16034 1 394 . 1 1 33 33 GLU H H 1 7.612 0.01 . 1 . . . . 33 GLU H . 16034 1 395 . 1 1 33 33 GLU HA H 1 3.954 0.01 . 1 . . . . 33 GLU HA . 16034 1 396 . 1 1 33 33 GLU HB2 H 1 2.293 0.01 . 2 . . . . 33 GLU QB . 16034 1 397 . 1 1 33 33 GLU HB3 H 1 2.293 0.01 . 2 . . . . 33 GLU QB . 16034 1 398 . 1 1 33 33 GLU HG2 H 1 2.157 0.01 . 2 . . . . 33 GLU HG2 . 16034 1 399 . 1 1 33 33 GLU HG3 H 1 1.825 0.01 . 2 . . . . 33 GLU HG3 . 16034 1 400 . 1 1 33 33 GLU C C 13 177.227 0.2 . 1 . . . . 33 GLU C . 16034 1 401 . 1 1 33 33 GLU CA C 13 58.289 0.2 . 1 . . . . 33 GLU CA . 16034 1 402 . 1 1 33 33 GLU CB C 13 29.757 0.2 . 1 . . . . 33 GLU CB . 16034 1 403 . 1 1 33 33 GLU CG C 13 31.245 0.2 . 1 . . . . 33 GLU CG . 16034 1 404 . 1 1 33 33 GLU N N 15 120.815 0.2 . 1 . . . . 33 GLU N . 16034 1 405 . 1 1 34 34 LEU H H 1 8.694 0.01 . 1 . . . . 34 LEU H . 16034 1 406 . 1 1 34 34 LEU HA H 1 3.811 0.01 . 1 . . . . 34 LEU HA . 16034 1 407 . 1 1 34 34 LEU HB2 H 1 1.130 0.01 . 2 . . . . 34 LEU HB2 . 16034 1 408 . 1 1 34 34 LEU HB3 H 1 1.864 0.01 . 2 . . . . 34 LEU HB3 . 16034 1 409 . 1 1 34 34 LEU HD11 H 1 0.527 0.01 . . . . . . 34 LEU QD1 . 16034 1 410 . 1 1 34 34 LEU HD12 H 1 0.527 0.01 . . . . . . 34 LEU QD1 . 16034 1 411 . 1 1 34 34 LEU HD13 H 1 0.527 0.01 . . . . . . 34 LEU QD1 . 16034 1 412 . 1 1 34 34 LEU HD21 H 1 0.546 0.01 . . . . . . 34 LEU QD2 . 16034 1 413 . 1 1 34 34 LEU HD22 H 1 0.546 0.01 . . . . . . 34 LEU QD2 . 16034 1 414 . 1 1 34 34 LEU HD23 H 1 0.546 0.01 . . . . . . 34 LEU QD2 . 16034 1 415 . 1 1 34 34 LEU HG H 1 1.260 0.01 . 1 . . . . 34 LEU HG . 16034 1 416 . 1 1 34 34 LEU C C 13 176.927 0.2 . 1 . . . . 34 LEU C . 16034 1 417 . 1 1 34 34 LEU CA C 13 57.025 0.2 . 1 . . . . 34 LEU CA . 16034 1 418 . 1 1 34 34 LEU CB C 13 40.638 0.2 . 1 . . . . 34 LEU CB . 16034 1 419 . 1 1 34 34 LEU CD1 C 13 21.173 0.2 . 2 . . . . 34 LEU CD1 . 16034 1 420 . 1 1 34 34 LEU CD2 C 13 24.990 0.2 . 2 . . . . 34 LEU CD2 . 16034 1 421 . 1 1 34 34 LEU CG C 13 25.604 0.2 . 1 . . . . 34 LEU CG . 16034 1 422 . 1 1 34 34 LEU N N 15 119.291 0.2 . 1 . . . . 34 LEU N . 16034 1 423 . 1 1 35 35 LYS H H 1 8.114 0.01 . 1 . . . . 35 LYS H . 16034 1 424 . 1 1 35 35 LYS HA H 1 3.569 0.01 . 1 . . . . 35 LYS HA . 16034 1 425 . 1 1 35 35 LYS HB2 H 1 1.738 0.01 . 2 . . . . 35 LYS HB2 . 16034 1 426 . 1 1 35 35 LYS HB3 H 1 1.883 0.01 . 2 . . . . 35 LYS HB3 . 16034 1 427 . 1 1 35 35 LYS HD2 H 1 1.689 0.01 . 2 . . . . 35 LYS QD . 16034 1 428 . 1 1 35 35 LYS HD3 H 1 1.689 0.01 . 2 . . . . 35 LYS QD . 16034 1 429 . 1 1 35 35 LYS HE2 H 1 2.854 0.01 . 2 . . . . 35 LYS QE . 16034 1 430 . 1 1 35 35 LYS HE3 H 1 2.854 0.01 . 2 . . . . 35 LYS QE . 16034 1 431 . 1 1 35 35 LYS HG2 H 1 1.251 0.01 . 2 . . . . 35 LYS HG2 . 16034 1 432 . 1 1 35 35 LYS HG3 H 1 1.395 0.01 . 2 . . . . 35 LYS HG3 . 16034 1 433 . 1 1 35 35 LYS C C 13 177.027 0.2 . 1 . . . . 35 LYS C . 16034 1 434 . 1 1 35 35 LYS CA C 13 59.419 0.2 . 1 . . . . 35 LYS CA . 16034 1 435 . 1 1 35 35 LYS CB C 13 31.271 0.2 . 1 . . . . 35 LYS CB . 16034 1 436 . 1 1 35 35 LYS CD C 13 28.393 0.2 . 1 . . . . 35 LYS CD . 16034 1 437 . 1 1 35 35 LYS CE C 13 40.906 0.2 . 1 . . . . 35 LYS CE . 16034 1 438 . 1 1 35 35 LYS CG C 13 24.339 0.2 . 1 . . . . 35 LYS CG . 16034 1 439 . 1 1 35 35 LYS N N 15 117.277 0.2 . 1 . . . . 35 LYS N . 16034 1 440 . 1 1 36 36 GLU H H 1 7.560 0.01 . 1 . . . . 36 GLU H . 16034 1 441 . 1 1 36 36 GLU HA H 1 3.845 0.01 . 1 . . . . 36 GLU HA . 16034 1 442 . 1 1 36 36 GLU HB2 H 1 2.049 0.01 . 2 . . . . 36 GLU HB2 . 16034 1 443 . 1 1 36 36 GLU HB3 H 1 2.085 0.01 . 2 . . . . 36 GLU HB3 . 16034 1 444 . 1 1 36 36 GLU HG2 H 1 2.386 0.01 . 2 . . . . 36 GLU HG2 . 16034 1 445 . 1 1 36 36 GLU HG3 H 1 2.339 0.01 . 2 . . . . 36 GLU HG3 . 16034 1 446 . 1 1 36 36 GLU C C 13 175.827 0.2 . 1 . . . . 36 GLU C . 16034 1 447 . 1 1 36 36 GLU CA C 13 58.190 0.2 . 1 . . . . 36 GLU CA . 16034 1 448 . 1 1 36 36 GLU CB C 13 28.253 0.2 . 1 . . . . 36 GLU CB . 16034 1 449 . 1 1 36 36 GLU CG C 13 34.949 0.2 . 1 . . . . 36 GLU CG . 16034 1 450 . 1 1 36 36 GLU N N 15 119.302 0.2 . 1 . . . . 36 GLU N . 16034 1 451 . 1 1 37 37 LEU H H 1 7.682 0.01 . 1 . . . . 37 LEU H . 16034 1 452 . 1 1 37 37 LEU HA H 1 2.280 0.01 . 1 . . . . 37 LEU HA . 16034 1 453 . 1 1 37 37 LEU HB2 H 1 0.999 0.01 . 2 . . . . 37 LEU HB2 . 16034 1 454 . 1 1 37 37 LEU HB3 H 1 1.576 0.01 . 2 . . . . 37 LEU HB3 . 16034 1 455 . 1 1 37 37 LEU HD11 H 1 0.735 0.01 . . . . . . 37 LEU QD1 . 16034 1 456 . 1 1 37 37 LEU HD12 H 1 0.735 0.01 . . . . . . 37 LEU QD1 . 16034 1 457 . 1 1 37 37 LEU HD13 H 1 0.735 0.01 . . . . . . 37 LEU QD1 . 16034 1 458 . 1 1 37 37 LEU HD21 H 1 0.631 0.01 . . . . . . 37 LEU QD2 . 16034 1 459 . 1 1 37 37 LEU HD22 H 1 0.631 0.01 . . . . . . 37 LEU QD2 . 16034 1 460 . 1 1 37 37 LEU HD23 H 1 0.631 0.01 . . . . . . 37 LEU QD2 . 16034 1 461 . 1 1 37 37 LEU HG H 1 1.089 0.01 . 1 . . . . 37 LEU HG . 16034 1 462 . 1 1 37 37 LEU C C 13 178.327 0.2 . 1 . . . . 37 LEU C . 16034 1 463 . 1 1 37 37 LEU CA C 13 58.225 0.2 . 1 . . . . 37 LEU CA . 16034 1 464 . 1 1 37 37 LEU CB C 13 41.090 0.2 . 1 . . . . 37 LEU CB . 16034 1 465 . 1 1 37 37 LEU CD1 C 13 26.898 0.2 . 2 . . . . 37 LEU CD1 . 16034 1 466 . 1 1 37 37 LEU CD2 C 13 22.428 0.2 . 2 . . . . 37 LEU CD2 . 16034 1 467 . 1 1 37 37 LEU CG C 13 26.824 0.2 . 1 . . . . 37 LEU CG . 16034 1 468 . 1 1 37 37 LEU N N 15 121.690 0.2 . 1 . . . . 37 LEU N . 16034 1 469 . 1 1 38 38 ILE H H 1 8.157 0.01 . 1 . . . . 38 ILE H . 16034 1 470 . 1 1 38 38 ILE HA H 1 3.292 0.01 . 1 . . . . 38 ILE HA . 16034 1 471 . 1 1 38 38 ILE HB H 1 1.702 0.01 . 1 . . . . 38 ILE HB . 16034 1 472 . 1 1 38 38 ILE HD11 H 1 0.519 0.01 . . . . . . 38 ILE QD1 . 16034 1 473 . 1 1 38 38 ILE HD12 H 1 0.519 0.01 . . . . . . 38 ILE QD1 . 16034 1 474 . 1 1 38 38 ILE HD13 H 1 0.519 0.01 . . . . . . 38 ILE QD1 . 16034 1 475 . 1 1 38 38 ILE HG12 H 1 0.956 0.01 . . . . . . 38 ILE QG1 . 16034 1 476 . 1 1 38 38 ILE HG13 H 1 0.956 0.01 . . . . . . 38 ILE QG1 . 16034 1 477 . 1 1 38 38 ILE HG21 H 1 0.833 0.01 . . . . . . 38 ILE QG2 . 16034 1 478 . 1 1 38 38 ILE HG22 H 1 0.833 0.01 . . . . . . 38 ILE QG2 . 16034 1 479 . 1 1 38 38 ILE HG23 H 1 0.833 0.01 . . . . . . 38 ILE QG2 . 16034 1 480 . 1 1 38 38 ILE C C 13 177.027 0.2 . 1 . . . . 38 ILE C . 16034 1 481 . 1 1 38 38 ILE CA C 13 65.007 0.2 . 1 . . . . 38 ILE CA . 16034 1 482 . 1 1 38 38 ILE CB C 13 37.187 0.2 . 1 . . . . 38 ILE CB . 16034 1 483 . 1 1 38 38 ILE CD1 C 13 13.108 0.2 . 1 . . . . 38 ILE CD1 . 16034 1 484 . 1 1 38 38 ILE CG1 C 13 28.263 0.2 . 1 . . . . 38 ILE CG1 . 16034 1 485 . 1 1 38 38 ILE CG2 C 13 16.826 0.2 . 1 . . . . 38 ILE CG2 . 16034 1 486 . 1 1 38 38 ILE N N 15 117.626 0.2 . 1 . . . . 38 ILE N . 16034 1 487 . 1 1 39 39 LYS H H 1 8.068 0.01 . 1 . . . . 39 LYS H . 16034 1 488 . 1 1 39 39 LYS HA H 1 3.876 0.01 . 1 . . . . 39 LYS HA . 16034 1 489 . 1 1 39 39 LYS HB2 H 1 1.799 0.01 . 2 . . . . 39 LYS QB . 16034 1 490 . 1 1 39 39 LYS HB3 H 1 1.799 0.01 . 2 . . . . 39 LYS QB . 16034 1 491 . 1 1 39 39 LYS HD2 H 1 1.593 0.01 . 2 . . . . 39 LYS QD . 16034 1 492 . 1 1 39 39 LYS HD3 H 1 1.593 0.01 . 2 . . . . 39 LYS QD . 16034 1 493 . 1 1 39 39 LYS HE2 H 1 2.861 0.01 . 2 . . . . 39 LYS QE . 16034 1 494 . 1 1 39 39 LYS HE3 H 1 2.861 0.01 . 2 . . . . 39 LYS QE . 16034 1 495 . 1 1 39 39 LYS HG2 H 1 1.303 0.01 . 2 . . . . 39 LYS QG . 16034 1 496 . 1 1 39 39 LYS HG3 H 1 1.303 0.01 . 2 . . . . 39 LYS QG . 16034 1 497 . 1 1 39 39 LYS C C 13 177.927 0.2 . 1 . . . . 39 LYS C . 16034 1 498 . 1 1 39 39 LYS CA C 13 58.204 0.2 . 1 . . . . 39 LYS CA . 16034 1 499 . 1 1 39 39 LYS CB C 13 31.731 0.2 . 1 . . . . 39 LYS CB . 16034 1 500 . 1 1 39 39 LYS CD C 13 28.536 0.2 . 1 . . . . 39 LYS CD . 16034 1 501 . 1 1 39 39 LYS CE C 13 41.139 0.2 . 1 . . . . 39 LYS CE . 16034 1 502 . 1 1 39 39 LYS CG C 13 24.288 0.2 . 1 . . . . 39 LYS CG . 16034 1 503 . 1 1 39 39 LYS N N 15 117.909 0.2 . 1 . . . . 39 LYS N . 16034 1 504 . 1 1 40 40 LYS H H 1 8.094 0.01 . 1 . . . . 40 LYS H . 16034 1 505 . 1 1 40 40 LYS HA H 1 4.248 0.01 . 1 . . . . 40 LYS HA . 16034 1 506 . 1 1 40 40 LYS HB2 H 1 1.820 0.01 . 2 . . . . 40 LYS HB2 . 16034 1 507 . 1 1 40 40 LYS HB3 H 1 2.088 0.01 . 2 . . . . 40 LYS HB3 . 16034 1 508 . 1 1 40 40 LYS HD2 H 1 1.726 0.01 . 2 . . . . 40 LYS QD . 16034 1 509 . 1 1 40 40 LYS HD3 H 1 1.726 0.01 . 2 . . . . 40 LYS QD . 16034 1 510 . 1 1 40 40 LYS HE2 H 1 2.976 0.01 . 2 . . . . 40 LYS QE . 16034 1 511 . 1 1 40 40 LYS HE3 H 1 2.976 0.01 . 2 . . . . 40 LYS QE . 16034 1 512 . 1 1 40 40 LYS HG2 H 1 1.584 0.01 . 2 . . . . 40 LYS HG2 . 16034 1 513 . 1 1 40 40 LYS HG3 H 1 1.481 0.01 . 2 . . . . 40 LYS HG3 . 16034 1 514 . 1 1 40 40 LYS C C 13 178.227 0.2 . 1 . . . . 40 LYS C . 16034 1 515 . 1 1 40 40 LYS CA C 13 56.291 0.2 . 1 . . . . 40 LYS CA . 16034 1 516 . 1 1 40 40 LYS CB C 13 32.652 0.2 . 1 . . . . 40 LYS CB . 16034 1 517 . 1 1 40 40 LYS CD C 13 27.507 0.2 . 1 . . . . 40 LYS CD . 16034 1 518 . 1 1 40 40 LYS CE C 13 41.246 0.2 . 1 . . . . 40 LYS CE . 16034 1 519 . 1 1 40 40 LYS CG C 13 24.301 0.2 . 1 . . . . 40 LYS CG . 16034 1 520 . 1 1 40 40 LYS N N 15 114.323 0.2 . 1 . . . . 40 LYS N . 16034 1 521 . 1 1 41 41 GLU H H 1 8.381 0.01 . 1 . . . . 41 GLU H . 16034 1 522 . 1 1 41 41 GLU HA H 1 4.744 0.01 . 1 . . . . 41 GLU HA . 16034 1 523 . 1 1 41 41 GLU HB2 H 1 2.343 0.01 . 2 . . . . 41 GLU QB . 16034 1 524 . 1 1 41 41 GLU HB3 H 1 2.343 0.01 . 2 . . . . 41 GLU QB . 16034 1 525 . 1 1 41 41 GLU HG2 H 1 2.165 0.01 . 2 . . . . 41 GLU QG . 16034 1 526 . 1 1 41 41 GLU HG3 H 1 2.165 0.01 . 2 . . . . 41 GLU QG . 16034 1 527 . 1 1 41 41 GLU C C 13 176.227 0.2 . 1 . . . . 41 GLU C . 16034 1 528 . 1 1 41 41 GLU CA C 13 55.054 0.2 . 1 . . . . 41 GLU CA . 16034 1 529 . 1 1 41 41 GLU CB C 13 29.598 0.2 . 1 . . . . 41 GLU CB . 16034 1 530 . 1 1 41 41 GLU CG C 13 35.434 0.2 . 1 . . . . 41 GLU CG . 16034 1 531 . 1 1 41 41 GLU N N 15 113.079 0.2 . 1 . . . . 41 GLU N . 16034 1 532 . 1 1 42 42 LEU H H 1 7.544 0.01 . 1 . . . . 42 LEU H . 16034 1 533 . 1 1 42 42 LEU HA H 1 4.754 0.01 . 1 . . . . 42 LEU HA . 16034 1 534 . 1 1 42 42 LEU HB2 H 1 1.987 0.01 . 2 . . . . 42 LEU HB2 . 16034 1 535 . 1 1 42 42 LEU HB3 H 1 1.465 0.01 . 2 . . . . 42 LEU HB3 . 16034 1 536 . 1 1 42 42 LEU HD11 H 1 0.803 0.01 . . . . . . 42 LEU QD1 . 16034 1 537 . 1 1 42 42 LEU HD12 H 1 0.803 0.01 . . . . . . 42 LEU QD1 . 16034 1 538 . 1 1 42 42 LEU HD13 H 1 0.803 0.01 . . . . . . 42 LEU QD1 . 16034 1 539 . 1 1 42 42 LEU HD21 H 1 0.766 0.01 . . . . . . 42 LEU QD2 . 16034 1 540 . 1 1 42 42 LEU HD22 H 1 0.766 0.01 . . . . . . 42 LEU QD2 . 16034 1 541 . 1 1 42 42 LEU HD23 H 1 0.766 0.01 . . . . . . 42 LEU QD2 . 16034 1 542 . 1 1 42 42 LEU CA C 13 52.564 0.2 . 1 . . . . 42 LEU CA . 16034 1 543 . 1 1 42 42 LEU CB C 13 43.848 0.2 . 1 . . . . 42 LEU CB . 16034 1 544 . 1 1 42 42 LEU CD1 C 13 25.565 0.2 . 2 . . . . 42 LEU CD1 . 16034 1 545 . 1 1 42 42 LEU CD2 C 13 22.286 0.2 . 2 . . . . 42 LEU CD2 . 16034 1 546 . 1 1 42 42 LEU N N 15 118.458 0.2 . 1 . . . . 42 LEU N . 16034 1 547 . 1 1 43 43 CYS H H 1 8.342 0.01 . 1 . . . . 43 CYS H . 16034 1 548 . 1 1 43 43 CYS HA H 1 4.486 0.01 . 1 . . . . 43 CYS HA . 16034 1 549 . 1 1 43 43 CYS HB2 H 1 2.930 0.01 . 2 . . . . 43 CYS HB2 . 16034 1 550 . 1 1 43 43 CYS HB3 H 1 2.800 0.01 . 2 . . . . 43 CYS HB3 . 16034 1 551 . 1 1 43 43 CYS C C 13 174.327 0.2 . 1 . . . . 43 CYS C . 16034 1 552 . 1 1 43 43 CYS CA C 13 57.655 0.2 . 1 . . . . 43 CYS CA . 16034 1 553 . 1 1 43 43 CYS CB C 13 25.653 0.2 . 1 . . . . 43 CYS CB . 16034 1 554 . 1 1 44 44 LEU H H 1 8.123 0.01 . 1 . . . . 44 LEU H . 16034 1 555 . 1 1 44 44 LEU HA H 1 4.339 0.01 . 1 . . . . 44 LEU HA . 16034 1 556 . 1 1 44 44 LEU HB2 H 1 1.480 0.01 . 2 . . . . 44 LEU HB2 . 16034 1 557 . 1 1 44 44 LEU HB3 H 1 1.544 0.01 . 2 . . . . 44 LEU HB3 . 16034 1 558 . 1 1 44 44 LEU HD11 H 1 0.818 0.01 . . . . . . 44 LEU QD1 . 16034 1 559 . 1 1 44 44 LEU HD12 H 1 0.818 0.01 . . . . . . 44 LEU QD1 . 16034 1 560 . 1 1 44 44 LEU HD13 H 1 0.818 0.01 . . . . . . 44 LEU QD1 . 16034 1 561 . 1 1 44 44 LEU HD21 H 1 0.756 0.01 . . . . . . 44 LEU QD2 . 16034 1 562 . 1 1 44 44 LEU HD22 H 1 0.756 0.01 . . . . . . 44 LEU QD2 . 16034 1 563 . 1 1 44 44 LEU HD23 H 1 0.756 0.01 . . . . . . 44 LEU QD2 . 16034 1 564 . 1 1 44 44 LEU HG H 1 1.551 0.01 . 1 . . . . 44 LEU HG . 16034 1 565 . 1 1 44 44 LEU C C 13 176.927 0.2 . 1 . . . . 44 LEU C . 16034 1 566 . 1 1 44 44 LEU CA C 13 53.750 0.2 . 1 . . . . 44 LEU CA . 16034 1 567 . 1 1 44 44 LEU CB C 13 40.784 0.2 . 1 . . . . 44 LEU CB . 16034 1 568 . 1 1 44 44 LEU CD1 C 13 24.371 0.2 . 2 . . . . 44 LEU CD1 . 16034 1 569 . 1 1 44 44 LEU CD2 C 13 21.647 0.2 . 2 . . . . 44 LEU CD2 . 16034 1 570 . 1 1 44 44 LEU CG C 13 25.606 0.2 . 1 . . . . 44 LEU CG . 16034 1 571 . 1 1 44 44 LEU N N 15 121.974 0.2 . 1 . . . . 44 LEU N . 16034 1 572 . 1 1 45 45 GLY H H 1 8.072 0.01 . 1 . . . . 45 GLY H . 16034 1 573 . 1 1 45 45 GLY HA2 H 1 3.889 0.01 . 2 . . . . 45 GLY HA2 . 16034 1 574 . 1 1 45 45 GLY HA3 H 1 3.698 0.01 . 2 . . . . 45 GLY HA3 . 16034 1 575 . 1 1 45 45 GLY C C 13 173.127 0.2 . 1 . . . . 45 GLY C . 16034 1 576 . 1 1 45 45 GLY CA C 13 44.291 0.2 . 1 . . . . 45 GLY CA . 16034 1 577 . 1 1 45 45 GLY N N 15 107.819 0.2 . 1 . . . . 45 GLY N . 16034 1 578 . 1 1 46 46 GLU H H 1 8.472 0.01 . 1 . . . . 46 GLU H . 16034 1 579 . 1 1 46 46 GLU HA H 1 4.048 0.01 . 1 . . . . 46 GLU HA . 16034 1 580 . 1 1 46 46 GLU HB2 H 1 1.794 0.01 . 2 . . . . 46 GLU HB2 . 16034 1 581 . 1 1 46 46 GLU HB3 H 1 1.884 0.01 . 2 . . . . 46 GLU HB3 . 16034 1 582 . 1 1 46 46 GLU HG2 H 1 2.126 0.01 . 2 . . . . 46 GLU QG . 16034 1 583 . 1 1 46 46 GLU HG3 H 1 2.126 0.01 . 2 . . . . 46 GLU QG . 16034 1 584 . 1 1 46 46 GLU C C 13 175.727 0.2 . 1 . . . . 46 GLU C . 16034 1 585 . 1 1 46 46 GLU CA C 13 56.461 0.2 . 1 . . . . 46 GLU CA . 16034 1 586 . 1 1 46 46 GLU CB C 13 28.208 0.2 . 1 . . . . 46 GLU CB . 16034 1 587 . 1 1 46 46 GLU CG C 13 35.051 0.2 . 1 . . . . 46 GLU CG . 16034 1 588 . 1 1 46 46 GLU N N 15 120.563 0.2 . 1 . . . . 46 GLU N . 16034 1 589 . 1 1 47 47 MET H H 1 8.189 0.01 . 1 . . . . 47 MET H . 16034 1 590 . 1 1 47 47 MET HA H 1 4.413 0.01 . 1 . . . . 47 MET HA . 16034 1 591 . 1 1 47 47 MET HB2 H 1 1.832 0.01 . 2 . . . . 47 MET QB . 16034 1 592 . 1 1 47 47 MET HB3 H 1 1.832 0.01 . 2 . . . . 47 MET QB . 16034 1 593 . 1 1 47 47 MET HE1 H 1 1.888 0.01 . . . . . . 47 MET QE . 16034 1 594 . 1 1 47 47 MET HE2 H 1 1.888 0.01 . . . . . . 47 MET QE . 16034 1 595 . 1 1 47 47 MET HE3 H 1 1.888 0.01 . . . . . . 47 MET QE . 16034 1 596 . 1 1 47 47 MET HG2 H 1 2.408 0.01 . 2 . . . . 47 MET HG2 . 16034 1 597 . 1 1 47 47 MET HG3 H 1 2.350 0.01 . 2 . . . . 47 MET HG3 . 16034 1 598 . 1 1 47 47 MET C C 13 175.027 0.2 . 1 . . . . 47 MET C . 16034 1 599 . 1 1 47 47 MET CA C 13 53.905 0.2 . 1 . . . . 47 MET CA . 16034 1 600 . 1 1 47 47 MET CB C 13 32.611 0.2 . 1 . . . . 47 MET CB . 16034 1 601 . 1 1 47 47 MET CE C 13 16.138 0.2 . 1 . . . . 47 MET CE . 16034 1 602 . 1 1 47 47 MET CG C 13 31.204 0.2 . 1 . . . . 47 MET CG . 16034 1 603 . 1 1 47 47 MET N N 15 123.201 0.2 . 1 . . . . 47 MET N . 16034 1 604 . 1 1 48 48 LYS H H 1 8.355 0.01 . 1 . . . . 48 LYS H . 16034 1 605 . 1 1 48 48 LYS HA H 1 4.237 0.01 . 1 . . . . 48 LYS HA . 16034 1 606 . 1 1 48 48 LYS HB2 H 1 1.741 0.01 . 2 . . . . 48 LYS HB2 . 16034 1 607 . 1 1 48 48 LYS HB3 H 1 1.907 0.01 . 2 . . . . 48 LYS HB3 . 16034 1 608 . 1 1 48 48 LYS HD2 H 1 1.599 0.01 . 2 . . . . 48 LYS QD . 16034 1 609 . 1 1 48 48 LYS HD3 H 1 1.599 0.01 . 2 . . . . 48 LYS QD . 16034 1 610 . 1 1 48 48 LYS HE2 H 1 2.880 0.01 . 2 . . . . 48 LYS QE . 16034 1 611 . 1 1 48 48 LYS HE3 H 1 2.880 0.01 . 2 . . . . 48 LYS QE . 16034 1 612 . 1 1 48 48 LYS HG2 H 1 1.440 0.01 . 2 . . . . 48 LYS QG . 16034 1 613 . 1 1 48 48 LYS HG3 H 1 1.440 0.01 . 2 . . . . 48 LYS QG . 16034 1 614 . 1 1 48 48 LYS C C 13 177.027 0.2 . 1 . . . . 48 LYS C . 16034 1 615 . 1 1 48 48 LYS CA C 13 55.443 0.2 . 1 . . . . 48 LYS CA . 16034 1 616 . 1 1 48 48 LYS CB C 13 32.173 0.2 . 1 . . . . 48 LYS CB . 16034 1 617 . 1 1 48 48 LYS CD C 13 28.503 0.2 . 1 . . . . 48 LYS CD . 16034 1 618 . 1 1 48 48 LYS CE C 13 41.156 0.2 . 1 . . . . 48 LYS CE . 16034 1 619 . 1 1 48 48 LYS CG C 13 23.823 0.2 . 1 . . . . 48 LYS CG . 16034 1 620 . 1 1 48 48 LYS N N 15 123.046 0.2 . 1 . . . . 48 LYS N . 16034 1 621 . 1 1 49 49 GLU H H 1 8.742 0.01 . 1 . . . . 49 GLU H . 16034 1 622 . 1 1 49 49 GLU HA H 1 3.884 0.01 . 1 . . . . 49 GLU HA . 16034 1 623 . 1 1 49 49 GLU HB2 H 1 1.925 0.01 . 2 . . . . 49 GLU QB . 16034 1 624 . 1 1 49 49 GLU HB3 H 1 1.925 0.01 . 2 . . . . 49 GLU QB . 16034 1 625 . 1 1 49 49 GLU HG2 H 1 2.346 0.01 . 2 . . . . 49 GLU HG2 . 16034 1 626 . 1 1 49 49 GLU HG3 H 1 2.279 0.01 . 2 . . . . 49 GLU HG3 . 16034 1 627 . 1 1 49 49 GLU C C 13 177.727 0.2 . 1 . . . . 49 GLU C . 16034 1 628 . 1 1 49 49 GLU CA C 13 58.534 0.2 . 1 . . . . 49 GLU CA . 16034 1 629 . 1 1 49 49 GLU CB C 13 27.870 0.2 . 1 . . . . 49 GLU CB . 16034 1 630 . 1 1 49 49 GLU CG C 13 35.458 0.2 . 1 . . . . 49 GLU CG . 16034 1 631 . 1 1 49 49 GLU N N 15 122.407 0.2 . 1 . . . . 49 GLU N . 16034 1 632 . 1 1 50 50 SER H H 1 8.324 0.01 . 1 . . . . 50 SER H . 16034 1 633 . 1 1 50 50 SER HA H 1 4.188 0.01 . 1 . . . . 50 SER HA . 16034 1 634 . 1 1 50 50 SER HB2 H 1 3.901 0.01 . 2 . . . . 50 SER QB . 16034 1 635 . 1 1 50 50 SER HB3 H 1 3.901 0.01 . 2 . . . . 50 SER QB . 16034 1 636 . 1 1 50 50 SER C C 13 175.427 0.2 . 1 . . . . 50 SER C . 16034 1 637 . 1 1 50 50 SER CA C 13 59.402 0.2 . 1 . . . . 50 SER CA . 16034 1 638 . 1 1 50 50 SER CB C 13 61.442 0.2 . 1 . . . . 50 SER CB . 16034 1 639 . 1 1 50 50 SER N N 15 112.475 0.2 . 1 . . . . 50 SER N . 16034 1 640 . 1 1 51 51 SER H H 1 7.400 0.01 . 1 . . . . 51 SER H . 16034 1 641 . 1 1 51 51 SER HA H 1 3.926 0.01 . 1 . . . . 51 SER HA . 16034 1 642 . 1 1 51 51 SER HB2 H 1 3.988 0.01 . 2 . . . . 51 SER QB . 16034 1 643 . 1 1 51 51 SER HB3 H 1 3.988 0.01 . 2 . . . . 51 SER QB . 16034 1 644 . 1 1 51 51 SER C C 13 176.027 0.2 . 1 . . . . 51 SER C . 16034 1 645 . 1 1 51 51 SER CA C 13 59.762 0.2 . 1 . . . . 51 SER CA . 16034 1 646 . 1 1 51 51 SER CB C 13 60.955 0.2 . 1 . . . . 51 SER CB . 16034 1 647 . 1 1 51 51 SER N N 15 118.432 0.2 . 1 . . . . 51 SER N . 16034 1 648 . 1 1 52 52 ILE H H 1 7.790 0.01 . 1 . . . . 52 ILE H . 16034 1 649 . 1 1 52 52 ILE HA H 1 3.642 0.01 . 1 . . . . 52 ILE HA . 16034 1 650 . 1 1 52 52 ILE HB H 1 2.039 0.01 . 1 . . . . 52 ILE HB . 16034 1 651 . 1 1 52 52 ILE HD11 H 1 0.631 0.01 . . . . . . 52 ILE QD1 . 16034 1 652 . 1 1 52 52 ILE HD12 H 1 0.631 0.01 . . . . . . 52 ILE QD1 . 16034 1 653 . 1 1 52 52 ILE HD13 H 1 0.631 0.01 . . . . . . 52 ILE QD1 . 16034 1 654 . 1 1 52 52 ILE HG12 H 1 1.166 0.01 . 2 . . . . 52 ILE HG11 . 16034 1 655 . 1 1 52 52 ILE HG13 H 1 1.315 0.01 . 2 . . . . 52 ILE HG12 . 16034 1 656 . 1 1 52 52 ILE HG21 H 1 0.690 0.01 . . . . . . 52 ILE QG2 . 16034 1 657 . 1 1 52 52 ILE HG22 H 1 0.690 0.01 . . . . . . 52 ILE QG2 . 16034 1 658 . 1 1 52 52 ILE HG23 H 1 0.690 0.01 . . . . . . 52 ILE QG2 . 16034 1 659 . 1 1 52 52 ILE C C 13 176.427 0.2 . 1 . . . . 52 ILE C . 16034 1 660 . 1 1 52 52 ILE CA C 13 61.984 0.2 . 1 . . . . 52 ILE CA . 16034 1 661 . 1 1 52 52 ILE CB C 13 34.990 0.2 . 1 . . . . 52 ILE CB . 16034 1 662 . 1 1 52 52 ILE CD1 C 13 9.995 0.2 . 1 . . . . 52 ILE CD1 . 16034 1 663 . 1 1 52 52 ILE CG1 C 13 26.862 0.2 . 1 . . . . 52 ILE CG1 . 16034 1 664 . 1 1 52 52 ILE CG2 C 13 16.269 0.2 . 1 . . . . 52 ILE CG2 . 16034 1 665 . 1 1 52 52 ILE N N 15 123.838 0.2 . 1 . . . . 52 ILE N . 16034 1 666 . 1 1 53 53 ASP H H 1 8.092 0.01 . 1 . . . . 53 ASP H . 16034 1 667 . 1 1 53 53 ASP HA H 1 4.225 0.01 . 1 . . . . 53 ASP HA . 16034 1 668 . 1 1 53 53 ASP HB2 H 1 2.557 0.01 . 2 . . . . 53 ASP HB2 . 16034 1 669 . 1 1 53 53 ASP HB3 H 1 2.707 0.01 . 2 . . . . 53 ASP HB3 . 16034 1 670 . 1 1 53 53 ASP C C 13 178.227 0.2 . 1 . . . . 53 ASP C . 16034 1 671 . 1 1 53 53 ASP CA C 13 56.606 0.2 . 1 . . . . 53 ASP CA . 16034 1 672 . 1 1 53 53 ASP CB C 13 39.034 0.2 . 1 . . . . 53 ASP CB . 16034 1 673 . 1 1 53 53 ASP N N 15 121.313 0.2 . 1 . . . . 53 ASP N . 16034 1 674 . 1 1 54 54 ASP H H 1 7.811 0.01 . 1 . . . . 54 ASP H . 16034 1 675 . 1 1 54 54 ASP HA H 1 4.253 0.01 . 1 . . . . 54 ASP HA . 16034 1 676 . 1 1 54 54 ASP HB2 H 1 2.565 0.01 . 2 . . . . 54 ASP HB2 . 16034 1 677 . 1 1 54 54 ASP HB3 H 1 2.641 0.01 . 2 . . . . 54 ASP HB3 . 16034 1 678 . 1 1 54 54 ASP C C 13 177.927 0.2 . 1 . . . . 54 ASP C . 16034 1 679 . 1 1 54 54 ASP CA C 13 56.467 0.2 . 1 . . . . 54 ASP CA . 16034 1 680 . 1 1 54 54 ASP CB C 13 39.401 0.2 . 1 . . . . 54 ASP CB . 16034 1 681 . 1 1 54 54 ASP N N 15 120.122 0.2 . 1 . . . . 54 ASP N . 16034 1 682 . 1 1 55 55 LEU H H 1 7.789 0.01 . 1 . . . . 55 LEU H . 16034 1 683 . 1 1 55 55 LEU HA H 1 3.979 0.01 . 1 . . . . 55 LEU HA . 16034 1 684 . 1 1 55 55 LEU HB2 H 1 1.529 0.01 . 2 . . . . 55 LEU QB . 16034 1 685 . 1 1 55 55 LEU HB3 H 1 1.529 0.01 . 2 . . . . 55 LEU QB . 16034 1 686 . 1 1 55 55 LEU HD11 H 1 0.508 0.01 . . . . . . 55 LEU QD1 . 16034 1 687 . 1 1 55 55 LEU HD12 H 1 0.508 0.01 . . . . . . 55 LEU QD1 . 16034 1 688 . 1 1 55 55 LEU HD13 H 1 0.508 0.01 . . . . . . 55 LEU QD1 . 16034 1 689 . 1 1 55 55 LEU HD21 H 1 0.688 0.01 . . . . . . 55 LEU QD2 . 16034 1 690 . 1 1 55 55 LEU HD22 H 1 0.688 0.01 . . . . . . 55 LEU QD2 . 16034 1 691 . 1 1 55 55 LEU HD23 H 1 0.688 0.01 . . . . . . 55 LEU QD2 . 16034 1 692 . 1 1 55 55 LEU HG H 1 1.221 0.01 . 1 . . . . 55 LEU HG . 16034 1 693 . 1 1 55 55 LEU C C 13 178.027 0.2 . 1 . . . . 55 LEU C . 16034 1 694 . 1 1 55 55 LEU CA C 13 56.713 0.2 . 1 . . . . 55 LEU CA . 16034 1 695 . 1 1 55 55 LEU CB C 13 40.799 0.2 . 1 . . . . 55 LEU CB . 16034 1 696 . 1 1 55 55 LEU CD1 C 13 24.348 0.2 . 2 . . . . 55 LEU CD1 . 16034 1 697 . 1 1 55 55 LEU CD2 C 13 22.371 0.2 . 2 . . . . 55 LEU CD2 . 16034 1 698 . 1 1 55 55 LEU CG C 13 25.712 0.2 . 1 . . . . 55 LEU CG . 16034 1 699 . 1 1 55 55 LEU N N 15 122.944 0.2 . 1 . . . . 55 LEU N . 16034 1 700 . 1 1 56 56 MET H H 1 8.601 0.01 . 1 . . . . 56 MET H . 16034 1 701 . 1 1 56 56 MET HA H 1 3.827 0.01 . 1 . . . . 56 MET HA . 16034 1 702 . 1 1 56 56 MET HB2 H 1 1.933 0.01 . 2 . . . . 56 MET HB2 . 16034 1 703 . 1 1 56 56 MET HB3 H 1 2.101 0.01 . 2 . . . . 56 MET HB3 . 16034 1 704 . 1 1 56 56 MET HE1 H 1 1.667 0.01 . . . . . . 56 MET QE . 16034 1 705 . 1 1 56 56 MET HE2 H 1 1.667 0.01 . . . . . . 56 MET QE . 16034 1 706 . 1 1 56 56 MET HE3 H 1 1.667 0.01 . . . . . . 56 MET QE . 16034 1 707 . 1 1 56 56 MET HG2 H 1 2.431 0.01 . 2 . . . . 56 MET QG . 16034 1 708 . 1 1 56 56 MET HG3 H 1 2.431 0.01 . 2 . . . . 56 MET QG . 16034 1 709 . 1 1 56 56 MET C C 13 177.027 0.2 . 1 . . . . 56 MET C . 16034 1 710 . 1 1 56 56 MET CA C 13 57.116 0.2 . 1 . . . . 56 MET CA . 16034 1 711 . 1 1 56 56 MET CB C 13 29.825 0.2 . 1 . . . . 56 MET CB . 16034 1 712 . 1 1 56 56 MET CE C 13 15.377 0.2 . 1 . . . . 56 MET CE . 16034 1 713 . 1 1 56 56 MET CG C 13 31.272 0.2 . 1 . . . . 56 MET CG . 16034 1 714 . 1 1 56 56 MET N N 15 117.863 0.2 . 1 . . . . 56 MET N . 16034 1 715 . 1 1 57 57 LYS H H 1 7.693 0.01 . 1 . . . . 57 LYS H . 16034 1 716 . 1 1 57 57 LYS HA H 1 3.954 0.01 . 1 . . . . 57 LYS HA . 16034 1 717 . 1 1 57 57 LYS HB2 H 1 1.822 0.01 . 2 . . . . 57 LYS QB . 16034 1 718 . 1 1 57 57 LYS HB3 H 1 1.822 0.01 . 2 . . . . 57 LYS QB . 16034 1 719 . 1 1 57 57 LYS HD2 H 1 1.583 0.01 . 2 . . . . 57 LYS QD . 16034 1 720 . 1 1 57 57 LYS HD3 H 1 1.583 0.01 . 2 . . . . 57 LYS QD . 16034 1 721 . 1 1 57 57 LYS HE2 H 1 2.861 0.01 . 2 . . . . 57 LYS QE . 16034 1 722 . 1 1 57 57 LYS HE3 H 1 2.861 0.01 . 2 . . . . 57 LYS QE . 16034 1 723 . 1 1 57 57 LYS HG2 H 1 1.432 0.01 . 2 . . . . 57 LYS QG . 16034 1 724 . 1 1 57 57 LYS HG3 H 1 1.432 0.01 . 2 . . . . 57 LYS QG . 16034 1 725 . 1 1 57 57 LYS C C 13 178.127 0.2 . 1 . . . . 57 LYS C . 16034 1 726 . 1 1 57 57 LYS CA C 13 58.352 0.2 . 1 . . . . 57 LYS CA . 16034 1 727 . 1 1 57 57 LYS CB C 13 31.315 0.2 . 1 . . . . 57 LYS CB . 16034 1 728 . 1 1 57 57 LYS CD C 13 28.081 0.2 . 1 . . . . 57 LYS CD . 16034 1 729 . 1 1 57 57 LYS CE C 13 41.177 0.2 . 1 . . . . 57 LYS CE . 16034 1 730 . 1 1 57 57 LYS CG C 13 24.270 0.2 . 1 . . . . 57 LYS CG . 16034 1 731 . 1 1 57 57 LYS N N 15 116.455 0.2 . 1 . . . . 57 LYS N . 16034 1 732 . 1 1 58 58 SER H H 1 7.661 0.01 . 1 . . . . 58 SER H . 16034 1 733 . 1 1 58 58 SER HA H 1 4.115 0.01 . 1 . . . . 58 SER HA . 16034 1 734 . 1 1 58 58 SER HB2 H 1 3.882 0.01 . 2 . . . . 58 SER HB2 . 16034 1 735 . 1 1 58 58 SER HB3 H 1 3.799 0.01 . 2 . . . . 58 SER HB3 . 16034 1 736 . 1 1 58 58 SER C C 13 174.827 0.2 . 1 . . . . 58 SER C . 16034 1 737 . 1 1 58 58 SER CA C 13 59.986 0.2 . 1 . . . . 58 SER CA . 16034 1 738 . 1 1 58 58 SER CB C 13 62.464 0.2 . 1 . . . . 58 SER CB . 16034 1 739 . 1 1 58 58 SER N N 15 113.020 0.2 . 1 . . . . 58 SER N . 16034 1 740 . 1 1 59 59 LEU H H 1 7.917 0.01 . 1 . . . . 59 LEU H . 16034 1 741 . 1 1 59 59 LEU HA H 1 4.269 0.01 . 1 . . . . 59 LEU HA . 16034 1 742 . 1 1 59 59 LEU HB2 H 1 1.119 0.01 . 2 . . . . 59 LEU HB2 . 16034 1 743 . 1 1 59 59 LEU HB3 H 1 1.642 0.01 . 2 . . . . 59 LEU HB3 . 16034 1 744 . 1 1 59 59 LEU HD11 H 1 0.344 0.01 . . . . . . 59 LEU QD1 . 16034 1 745 . 1 1 59 59 LEU HD12 H 1 0.344 0.01 . . . . . . 59 LEU QD1 . 16034 1 746 . 1 1 59 59 LEU HD13 H 1 0.344 0.01 . . . . . . 59 LEU QD1 . 16034 1 747 . 1 1 59 59 LEU HD21 H 1 0.751 0.01 . . . . . . 59 LEU QD2 . 16034 1 748 . 1 1 59 59 LEU HD22 H 1 0.751 0.01 . . . . . . 59 LEU QD2 . 16034 1 749 . 1 1 59 59 LEU HD23 H 1 0.751 0.01 . . . . . . 59 LEU QD2 . 16034 1 750 . 1 1 59 59 LEU HG H 1 1.783 0.01 . 1 . . . . 59 LEU HG . 16034 1 751 . 1 1 59 59 LEU C C 13 177.627 0.2 . 1 . . . . 59 LEU C . 16034 1 752 . 1 1 59 59 LEU CA C 13 54.402 0.2 . 1 . . . . 59 LEU CA . 16034 1 753 . 1 1 59 59 LEU CB C 13 43.731 0.2 . 1 . . . . 59 LEU CB . 16034 1 754 . 1 1 59 59 LEU CD1 C 13 24.271 0.2 . 2 . . . . 59 LEU CD1 . 16034 1 755 . 1 1 59 59 LEU CD2 C 13 20.598 0.2 . 2 . . . . 59 LEU CD2 . 16034 1 756 . 1 1 59 59 LEU CG C 13 24.954 0.2 . 1 . . . . 59 LEU CG . 16034 1 757 . 1 1 59 59 LEU N N 15 117.463 0.2 . 1 . . . . 59 LEU N . 16034 1 758 . 1 1 60 60 ASP H H 1 8.025 0.01 . 1 . . . . 60 ASP H . 16034 1 759 . 1 1 60 60 ASP HA H 1 4.566 0.01 . 1 . . . . 60 ASP HA . 16034 1 760 . 1 1 60 60 ASP HB2 H 1 2.285 0.01 . 2 . . . . 60 ASP HB2 . 16034 1 761 . 1 1 60 60 ASP HB3 H 1 2.915 0.01 . 2 . . . . 60 ASP HB3 . 16034 1 762 . 1 1 60 60 ASP C C 13 176.627 0.2 . 1 . . . . 60 ASP C . 16034 1 763 . 1 1 60 60 ASP CA C 13 52.335 0.2 . 1 . . . . 60 ASP CA . 16034 1 764 . 1 1 60 60 ASP CB C 13 38.139 0.2 . 1 . . . . 60 ASP CB . 16034 1 765 . 1 1 60 60 ASP N N 15 117.588 0.2 . 1 . . . . 60 ASP N . 16034 1 766 . 1 1 61 61 LYS H H 1 8.100 0.01 . 1 . . . . 61 LYS H . 16034 1 767 . 1 1 61 61 LYS HA H 1 4.035 0.01 . 1 . . . . 61 LYS HA . 16034 1 768 . 1 1 61 61 LYS HB2 H 1 1.865 0.01 . 2 . . . . 61 LYS QB . 16034 1 769 . 1 1 61 61 LYS HB3 H 1 1.865 0.01 . 2 . . . . 61 LYS QB . 16034 1 770 . 1 1 61 61 LYS HD2 H 1 1.639 0.01 . 2 . . . . 61 LYS QD . 16034 1 771 . 1 1 61 61 LYS HD3 H 1 1.639 0.01 . 2 . . . . 61 LYS QD . 16034 1 772 . 1 1 61 61 LYS HE2 H 1 3.007 0.01 . 2 . . . . 61 LYS QE . 16034 1 773 . 1 1 61 61 LYS HE3 H 1 3.007 0.01 . 2 . . . . 61 LYS QE . 16034 1 774 . 1 1 61 61 LYS HG2 H 1 1.575 0.01 . 2 . . . . 61 LYS HG2 . 16034 1 775 . 1 1 61 61 LYS HG3 H 1 1.446 0.01 . 2 . . . . 61 LYS HG3 . 16034 1 776 . 1 1 61 61 LYS C C 13 176.727 0.2 . 1 . . . . 61 LYS C . 16034 1 777 . 1 1 61 61 LYS CA C 13 56.887 0.2 . 1 . . . . 61 LYS CA . 16034 1 778 . 1 1 61 61 LYS CB C 13 31.653 0.2 . 1 . . . . 61 LYS CB . 16034 1 779 . 1 1 61 61 LYS CD C 13 27.366 0.2 . 1 . . . . 61 LYS CD . 16034 1 780 . 1 1 61 61 LYS CE C 13 41.230 0.2 . 1 . . . . 61 LYS CE . 16034 1 781 . 1 1 61 61 LYS CG C 13 23.711 0.2 . 1 . . . . 61 LYS CG . 16034 1 782 . 1 1 61 61 LYS N N 15 126.943 0.2 . 1 . . . . 61 LYS N . 16034 1 783 . 1 1 62 62 ASN H H 1 7.864 0.01 . 1 . . . . 62 ASN H . 16034 1 784 . 1 1 62 62 ASN HA H 1 4.759 0.01 . 1 . . . . 62 ASN HA . 16034 1 785 . 1 1 62 62 ASN HB2 H 1 2.663 0.01 . 2 . . . . 62 ASN HB2 . 16034 1 786 . 1 1 62 62 ASN HB3 H 1 3.175 0.01 . 2 . . . . 62 ASN HB3 . 16034 1 787 . 1 1 62 62 ASN HD21 H 1 7.780 0.01 . . . . . . 62 ASN HD21 . 16034 1 788 . 1 1 62 62 ASN HD22 H 1 6.649 0.01 . . . . . . 62 ASN HD22 . 16034 1 789 . 1 1 62 62 ASN C C 13 173.727 0.2 . 1 . . . . 62 ASN C . 16034 1 790 . 1 1 62 62 ASN CA C 13 50.660 0.2 . 1 . . . . 62 ASN CA . 16034 1 791 . 1 1 62 62 ASN CB C 13 35.920 0.2 . 1 . . . . 62 ASN CB . 16034 1 792 . 1 1 62 62 ASN N N 15 113.588 0.2 . 1 . . . . 62 ASN N . 16034 1 793 . 1 1 62 62 ASN ND2 N 15 113.104 0.2 . 1 . . . . 62 ASN ND2 . 16034 1 794 . 1 1 63 63 SER H H 1 7.613 0.01 . 1 . . . . 63 SER H . 16034 1 795 . 1 1 63 63 SER HA H 1 3.962 0.01 . 1 . . . . 63 SER HA . 16034 1 796 . 1 1 63 63 SER HB2 H 1 3.989 0.01 . 2 . . . . 63 SER HB2 . 16034 1 797 . 1 1 63 63 SER HB3 H 1 3.751 0.01 . 2 . . . . 63 SER HB3 . 16034 1 798 . 1 1 63 63 SER C C 13 172.927 0.2 . 1 . . . . 63 SER C . 16034 1 799 . 1 1 63 63 SER CA C 13 58.262 0.2 . 1 . . . . 63 SER CA . 16034 1 800 . 1 1 63 63 SER CB C 13 60.708 0.2 . 1 . . . . 63 SER CB . 16034 1 801 . 1 1 63 63 SER N N 15 111.592 0.2 . 1 . . . . 63 SER N . 16034 1 802 . 1 1 64 64 ASP H H 1 8.217 0.01 . 1 . . . . 64 ASP H . 16034 1 803 . 1 1 64 64 ASP HA H 1 4.653 0.01 . 1 . . . . 64 ASP HA . 16034 1 804 . 1 1 64 64 ASP HB2 H 1 2.209 0.01 . 2 . . . . 64 ASP HB2 . 16034 1 805 . 1 1 64 64 ASP HB3 H 1 2.995 0.01 . 2 . . . . 64 ASP HB3 . 16034 1 806 . 1 1 64 64 ASP C C 13 175.927 0.2 . 1 . . . . 64 ASP C . 16034 1 807 . 1 1 64 64 ASP CA C 13 51.641 0.2 . 1 . . . . 64 ASP CA . 16034 1 808 . 1 1 64 64 ASP CB C 13 39.385 0.2 . 1 . . . . 64 ASP CB . 16034 1 809 . 1 1 64 64 ASP N N 15 118.913 0.2 . 1 . . . . 64 ASP N . 16034 1 810 . 1 1 65 65 GLN H H 1 10.239 0.01 . 1 . . . . 65 GLN H . 16034 1 811 . 1 1 65 65 GLN HA H 1 3.356 0.01 . 1 . . . . 65 GLN HA . 16034 1 812 . 1 1 65 65 GLN HB2 H 1 2.181 0.01 . 2 . . . . 65 GLN HB2 . 16034 1 813 . 1 1 65 65 GLN HB3 H 1 2.373 0.01 . 2 . . . . 65 GLN HB3 . 16034 1 814 . 1 1 65 65 GLN HE21 H 1 7.359 0.01 . . . . . . 65 GLN HE21 . 16034 1 815 . 1 1 65 65 GLN HE22 H 1 6.614 0.01 . . . . . . 65 GLN HE22 . 16034 1 816 . 1 1 65 65 GLN HG2 H 1 2.175 0.01 . 2 . . . . 65 GLN HG2 . 16034 1 817 . 1 1 65 65 GLN HG3 H 1 2.083 0.01 . 2 . . . . 65 GLN HG3 . 16034 1 818 . 1 1 65 65 GLN C C 13 172.627 0.2 . 1 . . . . 65 GLN C . 16034 1 819 . 1 1 65 65 GLN CA C 13 56.325 0.2 . 1 . . . . 65 GLN CA . 16034 1 820 . 1 1 65 65 GLN CB C 13 24.910 0.2 . 1 . . . . 65 GLN CB . 16034 1 821 . 1 1 65 65 GLN CG C 13 33.745 0.2 . 1 . . . . 65 GLN CG . 16034 1 822 . 1 1 65 65 GLN N N 15 114.908 0.2 . 1 . . . . 65 GLN N . 16034 1 823 . 1 1 65 65 GLN NE2 N 15 112.547 0.2 . 1 . . . . 65 GLN NE2 . 16034 1 824 . 1 1 66 66 GLU H H 1 7.710 0.01 . 1 . . . . 66 GLU H . 16034 1 825 . 1 1 66 66 GLU HA H 1 4.691 0.01 . 1 . . . . 66 GLU HA . 16034 1 826 . 1 1 66 66 GLU HB2 H 1 1.555 0.01 . 2 . . . . 66 GLU HB2 . 16034 1 827 . 1 1 66 66 GLU HB3 H 1 1.621 0.01 . 2 . . . . 66 GLU HB3 . 16034 1 828 . 1 1 66 66 GLU HG2 H 1 2.089 0.01 . 2 . . . . 66 GLU HG2 . 16034 1 829 . 1 1 66 66 GLU HG3 H 1 1.893 0.01 . 2 . . . . 66 GLU HG3 . 16034 1 830 . 1 1 66 66 GLU C C 13 174.127 0.2 . 1 . . . . 66 GLU C . 16034 1 831 . 1 1 66 66 GLU CA C 13 52.987 0.2 . 1 . . . . 66 GLU CA . 16034 1 832 . 1 1 66 66 GLU CB C 13 32.433 0.2 . 1 . . . . 66 GLU CB . 16034 1 833 . 1 1 66 66 GLU CG C 13 34.559 0.2 . 1 . . . . 66 GLU CG . 16034 1 834 . 1 1 66 66 GLU N N 15 115.721 0.2 . 1 . . . . 66 GLU N . 16034 1 835 . 1 1 67 67 ILE H H 1 9.938 0.01 . 1 . . . . 67 ILE H . 16034 1 836 . 1 1 67 67 ILE HA H 1 5.291 0.01 . 1 . . . . 67 ILE HA . 16034 1 837 . 1 1 67 67 ILE HB H 1 2.337 0.01 . 1 . . . . 67 ILE HB . 16034 1 838 . 1 1 67 67 ILE HD11 H 1 0.602 0.01 . . . . . . 67 ILE QD1 . 16034 1 839 . 1 1 67 67 ILE HD12 H 1 0.602 0.01 . . . . . . 67 ILE QD1 . 16034 1 840 . 1 1 67 67 ILE HD13 H 1 0.602 0.01 . . . . . . 67 ILE QD1 . 16034 1 841 . 1 1 67 67 ILE HG12 H 1 1.064 0.01 . 2 . . . . 67 ILE HG11 . 16034 1 842 . 1 1 67 67 ILE HG13 H 1 1.359 0.01 . 2 . . . . 67 ILE HG12 . 16034 1 843 . 1 1 67 67 ILE HG21 H 1 1.000 0.01 . . . . . . 67 ILE QG2 . 16034 1 844 . 1 1 67 67 ILE HG22 H 1 1.000 0.01 . . . . . . 67 ILE QG2 . 16034 1 845 . 1 1 67 67 ILE HG23 H 1 1.000 0.01 . . . . . . 67 ILE QG2 . 16034 1 846 . 1 1 67 67 ILE C C 13 175.627 0.2 . 1 . . . . 67 ILE C . 16034 1 847 . 1 1 67 67 ILE CA C 13 56.241 0.2 . 1 . . . . 67 ILE CA . 16034 1 848 . 1 1 67 67 ILE CB C 13 35.492 0.2 . 1 . . . . 67 ILE CB . 16034 1 849 . 1 1 67 67 ILE CD1 C 13 9.329 0.2 . 1 . . . . 67 ILE CD1 . 16034 1 850 . 1 1 67 67 ILE CG1 C 13 25.721 0.2 . 1 . . . . 67 ILE CG1 . 16034 1 851 . 1 1 67 67 ILE CG2 C 13 16.796 0.2 . 1 . . . . 67 ILE CG2 . 16034 1 852 . 1 1 67 67 ILE N N 15 125.901 0.2 . 1 . . . . 67 ILE N . 16034 1 853 . 1 1 68 68 ASP H H 1 8.794 0.01 . 1 . . . . 68 ASP H . 16034 1 854 . 1 1 68 68 ASP HA H 1 5.002 0.01 . 1 . . . . 68 ASP HA . 16034 1 855 . 1 1 68 68 ASP HB2 H 1 2.548 0.01 . 2 . . . . 68 ASP HB2 . 16034 1 856 . 1 1 68 68 ASP HB3 H 1 3.307 0.01 . 2 . . . . 68 ASP HB3 . 16034 1 857 . 1 1 68 68 ASP C C 13 174.427 0.2 . 1 . . . . 68 ASP C . 16034 1 858 . 1 1 68 68 ASP CA C 13 51.563 0.2 . 1 . . . . 68 ASP CA . 16034 1 859 . 1 1 68 68 ASP CB C 13 40.493 0.2 . 1 . . . . 68 ASP CB . 16034 1 860 . 1 1 68 68 ASP N N 15 127.844 0.2 . 1 . . . . 68 ASP N . 16034 1 861 . 1 1 69 69 PHE H H 1 9.068 0.01 . 1 . . . . 69 PHE H . 16034 1 862 . 1 1 69 69 PHE HA H 1 3.130 0.01 . 1 . . . . 69 PHE HA . 16034 1 863 . 1 1 69 69 PHE HB2 H 1 2.652 0.01 . 2 . . . . 69 PHE HB2 . 16034 1 864 . 1 1 69 69 PHE HB3 H 1 2.349 0.01 . 2 . . . . 69 PHE HB3 . 16034 1 865 . 1 1 69 69 PHE HD1 H 1 6.045 0.01 . 3 . . . . 69 PHE QD . 16034 1 866 . 1 1 69 69 PHE HD2 H 1 6.045 0.01 . 3 . . . . 69 PHE QD . 16034 1 867 . 1 1 69 69 PHE HE1 H 1 6.840 0.01 . 3 . . . . 69 PHE QE . 16034 1 868 . 1 1 69 69 PHE HE2 H 1 6.840 0.01 . 3 . . . . 69 PHE QE . 16034 1 869 . 1 1 69 69 PHE C C 13 176.827 0.2 . 1 . . . . 69 PHE C . 16034 1 870 . 1 1 69 69 PHE CA C 13 62.478 0.2 . 1 . . . . 69 PHE CA . 16034 1 871 . 1 1 69 69 PHE CB C 13 38.096 0.2 . 1 . . . . 69 PHE CB . 16034 1 872 . 1 1 69 69 PHE N N 15 118.955 0.2 . 1 . . . . 69 PHE N . 16034 1 873 . 1 1 70 70 LYS H H 1 8.123 0.01 . 1 . . . . 70 LYS H . 16034 1 874 . 1 1 70 70 LYS HA H 1 3.871 0.01 . 1 . . . . 70 LYS HA . 16034 1 875 . 1 1 70 70 LYS HB2 H 1 1.887 0.01 . 2 . . . . 70 LYS QB . 16034 1 876 . 1 1 70 70 LYS HB3 H 1 1.887 0.01 . 2 . . . . 70 LYS QB . 16034 1 877 . 1 1 70 70 LYS HD2 H 1 1.640 0.01 . 2 . . . . 70 LYS QD . 16034 1 878 . 1 1 70 70 LYS HD3 H 1 1.640 0.01 . 2 . . . . 70 LYS QD . 16034 1 879 . 1 1 70 70 LYS HE2 H 1 2.857 0.01 . 2 . . . . 70 LYS QE . 16034 1 880 . 1 1 70 70 LYS HE3 H 1 2.857 0.01 . 2 . . . . 70 LYS QE . 16034 1 881 . 1 1 70 70 LYS HG2 H 1 1.420 0.01 . 2 . . . . 70 LYS QG . 16034 1 882 . 1 1 70 70 LYS HG3 H 1 1.420 0.01 . 2 . . . . 70 LYS QG . 16034 1 883 . 1 1 70 70 LYS C C 13 179.527 0.2 . 1 . . . . 70 LYS C . 16034 1 884 . 1 1 70 70 LYS CA C 13 59.457 0.2 . 1 . . . . 70 LYS CA . 16034 1 885 . 1 1 70 70 LYS CB C 13 30.772 0.2 . 1 . . . . 70 LYS CB . 16034 1 886 . 1 1 70 70 LYS CD C 13 28.419 0.2 . 1 . . . . 70 LYS CD . 16034 1 887 . 1 1 70 70 LYS CE C 13 41.302 0.2 . 1 . . . . 70 LYS CE . 16034 1 888 . 1 1 70 70 LYS CG C 13 24.316 0.2 . 1 . . . . 70 LYS CG . 16034 1 889 . 1 1 70 70 LYS N N 15 120.287 0.2 . 1 . . . . 70 LYS N . 16034 1 890 . 1 1 71 71 GLU H H 1 8.746 0.01 . 1 . . . . 71 GLU H . 16034 1 891 . 1 1 71 71 GLU HA H 1 4.099 0.01 . 1 . . . . 71 GLU HA . 16034 1 892 . 1 1 71 71 GLU HB2 H 1 1.953 0.01 . 2 . . . . 71 GLU QB . 16034 1 893 . 1 1 71 71 GLU HB3 H 1 1.953 0.01 . 2 . . . . 71 GLU QB . 16034 1 894 . 1 1 71 71 GLU HG2 H 1 2.833 0.01 . 2 . . . . 71 GLU HG2 . 16034 1 895 . 1 1 71 71 GLU HG3 H 1 2.341 0.01 . 2 . . . . 71 GLU HG3 . 16034 1 896 . 1 1 71 71 GLU C C 13 179.127 0.2 . 1 . . . . 71 GLU C . 16034 1 897 . 1 1 71 71 GLU CA C 13 57.934 0.2 . 1 . . . . 71 GLU CA . 16034 1 898 . 1 1 71 71 GLU CB C 13 29.266 0.2 . 1 . . . . 71 GLU CB . 16034 1 899 . 1 1 71 71 GLU CG C 13 36.139 0.2 . 1 . . . . 71 GLU CG . 16034 1 900 . 1 1 71 71 GLU N N 15 122.207 0.2 . 1 . . . . 71 GLU N . 16034 1 901 . 1 1 72 72 TYR H H 1 8.879 0.01 . 1 . . . . 72 TYR H . 16034 1 902 . 1 1 72 72 TYR HA H 1 4.010 0.01 . 1 . . . . 72 TYR HA . 16034 1 903 . 1 1 72 72 TYR HB2 H 1 2.905 0.01 . 2 . . . . 72 TYR HB2 . 16034 1 904 . 1 1 72 72 TYR HB3 H 1 2.831 0.01 . 2 . . . . 72 TYR HB3 . 16034 1 905 . 1 1 72 72 TYR HD1 H 1 6.854 0.01 . 3 . . . . 72 TYR QD . 16034 1 906 . 1 1 72 72 TYR HD2 H 1 6.854 0.01 . 3 . . . . 72 TYR QD . 16034 1 907 . 1 1 72 72 TYR HE1 H 1 6.557 0.01 . 3 . . . . 72 TYR QE . 16034 1 908 . 1 1 72 72 TYR HE2 H 1 6.557 0.01 . 3 . . . . 72 TYR QE . 16034 1 909 . 1 1 72 72 TYR C C 13 175.927 0.2 . 1 . . . . 72 TYR C . 16034 1 910 . 1 1 72 72 TYR CA C 13 58.551 0.2 . 1 . . . . 72 TYR CA . 16034 1 911 . 1 1 72 72 TYR CB C 13 38.072 0.2 . 1 . . . . 72 TYR CB . 16034 1 912 . 1 1 72 72 TYR N N 15 121.813 0.2 . 1 . . . . 72 TYR N . 16034 1 913 . 1 1 73 73 SER H H 1 8.414 0.01 . 1 . . . . 73 SER H . 16034 1 914 . 1 1 73 73 SER HA H 1 3.462 0.01 . 1 . . . . 73 SER HA . 16034 1 915 . 1 1 73 73 SER HB2 H 1 3.823 0.01 . 2 . . . . 73 SER HB2 . 16034 1 916 . 1 1 73 73 SER HB3 H 1 3.556 0.01 . 2 . . . . 73 SER HB3 . 16034 1 917 . 1 1 73 73 SER C C 13 175.127 0.2 . 1 . . . . 73 SER C . 16034 1 918 . 1 1 73 73 SER CA C 13 61.876 0.2 . 1 . . . . 73 SER CA . 16034 1 919 . 1 1 73 73 SER CB C 13 61.327 0.2 . 1 . . . . 73 SER CB . 16034 1 920 . 1 1 73 73 SER N N 15 117.840 0.2 . 1 . . . . 73 SER N . 16034 1 921 . 1 1 74 74 VAL H H 1 7.363 0.01 . 1 . . . . 74 VAL H . 16034 1 922 . 1 1 74 74 VAL HA H 1 3.584 0.01 . 1 . . . . 74 VAL HA . 16034 1 923 . 1 1 74 74 VAL HB H 1 2.223 0.01 . 1 . . . . 74 VAL HB . 16034 1 924 . 1 1 74 74 VAL HG11 H 1 1.007 0.01 . . . . . . 74 VAL QG1 . 16034 1 925 . 1 1 74 74 VAL HG12 H 1 1.007 0.01 . . . . . . 74 VAL QG1 . 16034 1 926 . 1 1 74 74 VAL HG13 H 1 1.007 0.01 . . . . . . 74 VAL QG1 . 16034 1 927 . 1 1 74 74 VAL HG21 H 1 0.861 0.01 . . . . . . 74 VAL QG2 . 16034 1 928 . 1 1 74 74 VAL HG22 H 1 0.861 0.01 . . . . . . 74 VAL QG2 . 16034 1 929 . 1 1 74 74 VAL HG23 H 1 0.861 0.01 . . . . . . 74 VAL QG2 . 16034 1 930 . 1 1 74 74 VAL C C 13 178.027 0.2 . 1 . . . . 74 VAL C . 16034 1 931 . 1 1 74 74 VAL CA C 13 65.397 0.2 . 1 . . . . 74 VAL CA . 16034 1 932 . 1 1 74 74 VAL CB C 13 30.300 0.2 . 1 . . . . 74 VAL CB . 16034 1 933 . 1 1 74 74 VAL CG1 C 13 21.906 0.2 . 2 . . . . 74 VAL CG1 . 16034 1 934 . 1 1 74 74 VAL CG2 C 13 20.029 0.2 . 2 . . . . 74 VAL CG2 . 16034 1 935 . 1 1 74 74 VAL N N 15 123.439 0.2 . 1 . . . . 74 VAL N . 16034 1 936 . 1 1 75 75 PHE H H 1 7.282 0.01 . 1 . . . . 75 PHE H . 16034 1 937 . 1 1 75 75 PHE HA H 1 4.562 0.01 . 1 . . . . 75 PHE HA . 16034 1 938 . 1 1 75 75 PHE HB2 H 1 3.171 0.01 . 2 . . . . 75 PHE HB2 . 16034 1 939 . 1 1 75 75 PHE HB3 H 1 3.425 0.01 . 2 . . . . 75 PHE HB3 . 16034 1 940 . 1 1 75 75 PHE HD1 H 1 6.999 0.01 . 3 . . . . 75 PHE QD . 16034 1 941 . 1 1 75 75 PHE HD2 H 1 6.999 0.01 . 3 . . . . 75 PHE QD . 16034 1 942 . 1 1 75 75 PHE HE1 H 1 6.961 0.01 . 3 . . . . 75 PHE QE . 16034 1 943 . 1 1 75 75 PHE HE2 H 1 6.961 0.01 . 3 . . . . 75 PHE QE . 16034 1 944 . 1 1 75 75 PHE HZ H 1 6.813 0.01 . 1 . . . . 75 PHE HZ . 16034 1 945 . 1 1 75 75 PHE C C 13 176.127 0.2 . 1 . . . . 75 PHE C . 16034 1 946 . 1 1 75 75 PHE CA C 13 57.851 0.2 . 1 . . . . 75 PHE CA . 16034 1 947 . 1 1 75 75 PHE CB C 13 36.863 0.2 . 1 . . . . 75 PHE CB . 16034 1 948 . 1 1 75 75 PHE N N 15 122.766 0.2 . 1 . . . . 75 PHE N . 16034 1 949 . 1 1 76 76 LEU H H 1 7.823 0.01 . 1 . . . . 76 LEU H . 16034 1 950 . 1 1 76 76 LEU HA H 1 3.445 0.01 . 1 . . . . 76 LEU HA . 16034 1 951 . 1 1 76 76 LEU HB2 H 1 1.715 0.01 . 2 . . . . 76 LEU HB2 . 16034 1 952 . 1 1 76 76 LEU HB3 H 1 0.921 0.01 . 2 . . . . 76 LEU HB3 . 16034 1 953 . 1 1 76 76 LEU HD11 H 1 0.555 0.01 . . . . . . 76 LEU QD1 . 16034 1 954 . 1 1 76 76 LEU HD12 H 1 0.555 0.01 . . . . . . 76 LEU QD1 . 16034 1 955 . 1 1 76 76 LEU HD13 H 1 0.555 0.01 . . . . . . 76 LEU QD1 . 16034 1 956 . 1 1 76 76 LEU HD21 H 1 0.420 0.01 . . . . . . 76 LEU QD2 . 16034 1 957 . 1 1 76 76 LEU HD22 H 1 0.420 0.01 . . . . . . 76 LEU QD2 . 16034 1 958 . 1 1 76 76 LEU HD23 H 1 0.420 0.01 . . . . . . 76 LEU QD2 . 16034 1 959 . 1 1 76 76 LEU HG H 1 0.982 0.01 . 1 . . . . 76 LEU HG . 16034 1 960 . 1 1 76 76 LEU C C 13 178.927 0.2 . 1 . . . . 76 LEU C . 16034 1 961 . 1 1 76 76 LEU CA C 13 56.891 0.2 . 1 . . . . 76 LEU CA . 16034 1 962 . 1 1 76 76 LEU CB C 13 39.917 0.2 . 1 . . . . 76 LEU CB . 16034 1 963 . 1 1 76 76 LEU CD1 C 13 25.255 0.2 . 2 . . . . 76 LEU CD1 . 16034 1 964 . 1 1 76 76 LEU CD2 C 13 19.990 0.2 . 2 . . . . 76 LEU CD2 . 16034 1 965 . 1 1 76 76 LEU CG C 13 24.767 0.2 . 1 . . . . 76 LEU CG . 16034 1 966 . 1 1 76 76 LEU N N 15 115.619 0.2 . 1 . . . . 76 LEU N . 16034 1 967 . 1 1 77 77 THR H H 1 7.858 0.01 . 1 . . . . 77 THR H . 16034 1 968 . 1 1 77 77 THR HA H 1 3.665 0.01 . 1 . . . . 77 THR HA . 16034 1 969 . 1 1 77 77 THR HB H 1 4.167 0.01 . 1 . . . . 77 THR HB . 16034 1 970 . 1 1 77 77 THR HG1 H 1 5.163 0.01 . 1 . . . . 77 THR HG1 . 16034 1 971 . 1 1 77 77 THR HG21 H 1 1.123 0.01 . . . . . . 77 THR QG2 . 16034 1 972 . 1 1 77 77 THR HG22 H 1 1.123 0.01 . . . . . . 77 THR QG2 . 16034 1 973 . 1 1 77 77 THR HG23 H 1 1.123 0.01 . . . . . . 77 THR QG2 . 16034 1 974 . 1 1 77 77 THR C C 13 175.427 0.2 . 1 . . . . 77 THR C . 16034 1 975 . 1 1 77 77 THR CA C 13 66.127 0.2 . 1 . . . . 77 THR CA . 16034 1 976 . 1 1 77 77 THR CB C 13 67.585 0.2 . 1 . . . . 77 THR CB . 16034 1 977 . 1 1 77 77 THR CG2 C 13 21.613 0.2 . 1 . . . . 77 THR CG2 . 16034 1 978 . 1 1 77 77 THR N N 15 113.417 0.2 . 1 . . . . 77 THR N . 16034 1 979 . 1 1 78 78 MET H H 1 7.970 0.01 . 1 . . . . 78 MET H . 16034 1 980 . 1 1 78 78 MET HA H 1 3.935 0.01 . 1 . . . . 78 MET HA . 16034 1 981 . 1 1 78 78 MET HB2 H 1 2.309 0.01 . 2 . . . . 78 MET HB2 . 16034 1 982 . 1 1 78 78 MET HB3 H 1 2.156 0.01 . 2 . . . . 78 MET HB3 . 16034 1 983 . 1 1 78 78 MET HE1 H 1 2.004 0.01 . . . . . . 78 MET QE . 16034 1 984 . 1 1 78 78 MET HE2 H 1 2.004 0.01 . . . . . . 78 MET QE . 16034 1 985 . 1 1 78 78 MET HE3 H 1 2.004 0.01 . . . . . . 78 MET QE . 16034 1 986 . 1 1 78 78 MET HG2 H 1 2.693 0.01 . 2 . . . . 78 MET HG2 . 16034 1 987 . 1 1 78 78 MET HG3 H 1 2.464 0.01 . 2 . . . . 78 MET HG3 . 16034 1 988 . 1 1 78 78 MET C C 13 179.127 0.2 . 1 . . . . 78 MET C . 16034 1 989 . 1 1 78 78 MET CA C 13 58.780 0.2 . 1 . . . . 78 MET CA . 16034 1 990 . 1 1 78 78 MET CB C 13 31.501 0.2 . 1 . . . . 78 MET CB . 16034 1 991 . 1 1 78 78 MET CE C 13 15.533 0.2 . 1 . . . . 78 MET CE . 16034 1 992 . 1 1 78 78 MET CG C 13 30.622 0.2 . 1 . . . . 78 MET CG . 16034 1 993 . 1 1 78 78 MET N N 15 122.745 0.2 . 1 . . . . 78 MET N . 16034 1 994 . 1 1 79 79 LEU H H 1 7.898 0.01 . 1 . . . . 79 LEU H . 16034 1 995 . 1 1 79 79 LEU HA H 1 3.870 0.01 . 1 . . . . 79 LEU HA . 16034 1 996 . 1 1 79 79 LEU HB2 H 1 1.038 0.01 . 2 . . . . 79 LEU HB2 . 16034 1 997 . 1 1 79 79 LEU HB3 H 1 1.650 0.01 . 2 . . . . 79 LEU HB3 . 16034 1 998 . 1 1 79 79 LEU HD11 H 1 0.070 0.01 . . . . . . 79 LEU QD1 . 16034 1 999 . 1 1 79 79 LEU HD12 H 1 0.070 0.01 . . . . . . 79 LEU QD1 . 16034 1 1000 . 1 1 79 79 LEU HD13 H 1 0.070 0.01 . . . . . . 79 LEU QD1 . 16034 1 1001 . 1 1 79 79 LEU HD21 H 1 0.532 0.01 . . . . . . 79 LEU QD2 . 16034 1 1002 . 1 1 79 79 LEU HD22 H 1 0.532 0.01 . . . . . . 79 LEU QD2 . 16034 1 1003 . 1 1 79 79 LEU HD23 H 1 0.532 0.01 . . . . . . 79 LEU QD2 . 16034 1 1004 . 1 1 79 79 LEU HG H 1 1.013 0.01 . 1 . . . . 79 LEU HG . 16034 1 1005 . 1 1 79 79 LEU C C 13 178.427 0.2 . 1 . . . . 79 LEU C . 16034 1 1006 . 1 1 79 79 LEU CA C 13 56.843 0.2 . 1 . . . . 79 LEU CA . 16034 1 1007 . 1 1 79 79 LEU CB C 13 41.099 0.2 . 1 . . . . 79 LEU CB . 16034 1 1008 . 1 1 79 79 LEU CD1 C 13 24.439 0.2 . 2 . . . . 79 LEU CD1 . 16034 1 1009 . 1 1 79 79 LEU CD2 C 13 21.251 0.2 . 2 . . . . 79 LEU CD2 . 16034 1 1010 . 1 1 79 79 LEU CG C 13 24.900 0.2 . 1 . . . . 79 LEU CG . 16034 1 1011 . 1 1 79 79 LEU N N 15 120.989 0.2 . 1 . . . . 79 LEU N . 16034 1 1012 . 1 1 80 80 CYS H H 1 8.400 0.01 . 1 . . . . 80 CYS H . 16034 1 1013 . 1 1 80 80 CYS HA H 1 3.830 0.01 . 1 . . . . 80 CYS HA . 16034 1 1014 . 1 1 80 80 CYS HB2 H 1 2.715 0.01 . 2 . . . . 80 CYS HB2 . 16034 1 1015 . 1 1 80 80 CYS HB3 H 1 3.162 0.01 . 2 . . . . 80 CYS HB3 . 16034 1 1016 . 1 1 80 80 CYS HG H 1 2.395 0.01 . 1 . . . . 80 CYS HG . 16034 1 1017 . 1 1 80 80 CYS C C 13 175.927 0.2 . 1 . . . . 80 CYS C . 16034 1 1018 . 1 1 80 80 CYS CA C 13 64.044 0.2 . 1 . . . . 80 CYS CA . 16034 1 1019 . 1 1 80 80 CYS CB C 13 25.626 0.2 . 1 . . . . 80 CYS CB . 16034 1 1020 . 1 1 80 80 CYS N N 15 117.746 0.2 . 1 . . . . 80 CYS N . 16034 1 1021 . 1 1 81 81 MET H H 1 8.295 0.01 . 1 . . . . 81 MET H . 16034 1 1022 . 1 1 81 81 MET HA H 1 4.023 0.01 . 1 . . . . 81 MET HA . 16034 1 1023 . 1 1 81 81 MET HB2 H 1 2.203 0.01 . 2 . . . . 81 MET HB2 . 16034 1 1024 . 1 1 81 81 MET HB3 H 1 2.126 0.01 . 2 . . . . 81 MET HB3 . 16034 1 1025 . 1 1 81 81 MET HE1 H 1 2.060 0.01 . . . . . . 81 MET QE . 16034 1 1026 . 1 1 81 81 MET HE2 H 1 2.060 0.01 . . . . . . 81 MET QE . 16034 1 1027 . 1 1 81 81 MET HE3 H 1 2.060 0.01 . . . . . . 81 MET QE . 16034 1 1028 . 1 1 81 81 MET HG2 H 1 2.807 0.01 . 2 . . . . 81 MET HG2 . 16034 1 1029 . 1 1 81 81 MET HG3 H 1 2.670 0.01 . 2 . . . . 81 MET HG3 . 16034 1 1030 . 1 1 81 81 MET C C 13 177.327 0.2 . 1 . . . . 81 MET C . 16034 1 1031 . 1 1 81 81 MET CA C 13 57.601 0.2 . 1 . . . . 81 MET CA . 16034 1 1032 . 1 1 81 81 MET CB C 13 30.668 0.2 . 1 . . . . 81 MET CB . 16034 1 1033 . 1 1 81 81 MET CE C 13 16.149 0.2 . 1 . . . . 81 MET CE . 16034 1 1034 . 1 1 81 81 MET CG C 13 31.744 0.2 . 1 . . . . 81 MET CG . 16034 1 1035 . 1 1 81 81 MET N N 15 117.598 0.2 . 1 . . . . 81 MET N . 16034 1 1036 . 1 1 82 82 ALA H H 1 7.624 0.01 . 1 . . . . 82 ALA H . 16034 1 1037 . 1 1 82 82 ALA HA H 1 4.061 0.01 . 1 . . . . 82 ALA HA . 16034 1 1038 . 1 1 82 82 ALA HB1 H 1 1.386 0.01 . . . . . . 82 ALA QB . 16034 1 1039 . 1 1 82 82 ALA HB2 H 1 1.386 0.01 . . . . . . 82 ALA QB . 16034 1 1040 . 1 1 82 82 ALA HB3 H 1 1.386 0.01 . . . . . . 82 ALA QB . 16034 1 1041 . 1 1 82 82 ALA C C 13 179.627 0.2 . 1 . . . . 82 ALA C . 16034 1 1042 . 1 1 82 82 ALA CA C 13 53.856 0.2 . 1 . . . . 82 ALA CA . 16034 1 1043 . 1 1 82 82 ALA CB C 13 16.794 0.2 . 1 . . . . 82 ALA CB . 16034 1 1044 . 1 1 82 82 ALA N N 15 121.886 0.2 . 1 . . . . 82 ALA N . 16034 1 1045 . 1 1 83 83 TYR H H 1 8.476 0.01 . 1 . . . . 83 TYR H . 16034 1 1046 . 1 1 83 83 TYR HA H 1 4.147 0.01 . 1 . . . . 83 TYR HA . 16034 1 1047 . 1 1 83 83 TYR HB2 H 1 2.849 0.01 . 2 . . . . 83 TYR HB2 . 16034 1 1048 . 1 1 83 83 TYR HB3 H 1 3.081 0.01 . 2 . . . . 83 TYR HB3 . 16034 1 1049 . 1 1 83 83 TYR HD1 H 1 7.014 0.01 . 3 . . . . 83 TYR QD . 16034 1 1050 . 1 1 83 83 TYR HD2 H 1 7.014 0.01 . 3 . . . . 83 TYR QD . 16034 1 1051 . 1 1 83 83 TYR HE1 H 1 6.666 0.01 . 3 . . . . 83 TYR QE . 16034 1 1052 . 1 1 83 83 TYR HE2 H 1 6.666 0.01 . 3 . . . . 83 TYR QE . 16034 1 1053 . 1 1 83 83 TYR C C 13 178.127 0.2 . 1 . . . . 83 TYR C . 16034 1 1054 . 1 1 83 83 TYR CA C 13 60.066 0.2 . 1 . . . . 83 TYR CA . 16034 1 1055 . 1 1 83 83 TYR CB C 13 36.546 0.2 . 1 . . . . 83 TYR CB . 16034 1 1056 . 1 1 83 83 TYR N N 15 119.136 0.2 . 1 . . . . 83 TYR N . 16034 1 1057 . 1 1 84 84 ASN H H 1 8.386 0.01 . 1 . . . . 84 ASN H . 16034 1 1058 . 1 1 84 84 ASN HA H 1 4.221 0.01 . 1 . . . . 84 ASN HA . 16034 1 1059 . 1 1 84 84 ASN HB2 H 1 1.599 0.01 . 2 . . . . 84 ASN HB2 . 16034 1 1060 . 1 1 84 84 ASN HB3 H 1 2.293 0.01 . 2 . . . . 84 ASN HB3 . 16034 1 1061 . 1 1 84 84 ASN HD21 H 1 7.172 0.01 . . . . . . 84 ASN HD21 . 16034 1 1062 . 1 1 84 84 ASN HD22 H 1 6.405 0.01 . . . . . . 84 ASN HD22 . 16034 1 1063 . 1 1 84 84 ASN C C 13 175.427 0.2 . 1 . . . . 84 ASN C . 16034 1 1064 . 1 1 84 84 ASN CA C 13 56.123 0.2 . 1 . . . . 84 ASN CA . 16034 1 1065 . 1 1 84 84 ASN CB C 13 37.387 0.2 . 1 . . . . 84 ASN CB . 16034 1 1066 . 1 1 84 84 ASN N N 15 120.692 0.2 . 1 . . . . 84 ASN N . 16034 1 1067 . 1 1 84 84 ASN ND2 N 15 113.576 0.2 . 1 . . . . 84 ASN ND2 . 16034 1 1068 . 1 1 85 85 ASP H H 1 7.611 0.01 . 1 . . . . 85 ASP H . 16034 1 1069 . 1 1 85 85 ASP HA H 1 4.234 0.01 . 1 . . . . 85 ASP HA . 16034 1 1070 . 1 1 85 85 ASP HB2 H 1 2.459 0.01 . 2 . . . . 85 ASP HB2 . 16034 1 1071 . 1 1 85 85 ASP HB3 H 1 2.613 0.01 . 2 . . . . 85 ASP HB3 . 16034 1 1072 . 1 1 85 85 ASP C C 13 178.227 0.2 . 1 . . . . 85 ASP C . 16034 1 1073 . 1 1 85 85 ASP CA C 13 56.752 0.2 . 1 . . . . 85 ASP CA . 16034 1 1074 . 1 1 85 85 ASP CB C 13 38.688 0.2 . 1 . . . . 85 ASP CB . 16034 1 1075 . 1 1 85 85 ASP N N 15 118.378 0.2 . 1 . . . . 85 ASP N . 16034 1 1076 . 1 1 86 86 PHE H H 1 7.538 0.01 . 1 . . . . 86 PHE H . 16034 1 1077 . 1 1 86 86 PHE HA H 1 4.291 0.01 . 1 . . . . 86 PHE HA . 16034 1 1078 . 1 1 86 86 PHE HB2 H 1 3.035 0.01 . 2 . . . . 86 PHE HB2 . 16034 1 1079 . 1 1 86 86 PHE HB3 H 1 2.984 0.01 . 2 . . . . 86 PHE HB3 . 16034 1 1080 . 1 1 86 86 PHE HD1 H 1 6.965 0.01 . 3 . . . . 86 PHE QD . 16034 1 1081 . 1 1 86 86 PHE HD2 H 1 6.965 0.01 . 3 . . . . 86 PHE QD . 16034 1 1082 . 1 1 86 86 PHE HE1 H 1 7.080 0.01 . 3 . . . . 86 PHE QE . 16034 1 1083 . 1 1 86 86 PHE HE2 H 1 7.080 0.01 . 3 . . . . 86 PHE QE . 16034 1 1084 . 1 1 86 86 PHE C C 13 176.627 0.2 . 1 . . . . 86 PHE C . 16034 1 1085 . 1 1 86 86 PHE CA C 13 58.743 0.2 . 1 . . . . 86 PHE CA . 16034 1 1086 . 1 1 86 86 PHE CB C 13 37.488 0.2 . 1 . . . . 86 PHE CB . 16034 1 1087 . 1 1 86 86 PHE N N 15 118.712 0.2 . 1 . . . . 86 PHE N . 16034 1 1088 . 1 1 87 87 PHE H H 1 8.132 0.01 . 1 . . . . 87 PHE H . 16034 1 1089 . 1 1 87 87 PHE HA H 1 3.906 0.01 . 1 . . . . 87 PHE HA . 16034 1 1090 . 1 1 87 87 PHE HB2 H 1 2.957 0.01 . 2 . . . . 87 PHE HB2 . 16034 1 1091 . 1 1 87 87 PHE HB3 H 1 3.030 0.01 . 2 . . . . 87 PHE HB3 . 16034 1 1092 . 1 1 87 87 PHE HD1 H 1 6.740 0.01 . 3 . . . . 87 PHE QD . 16034 1 1093 . 1 1 87 87 PHE HD2 H 1 6.740 0.01 . 3 . . . . 87 PHE QD . 16034 1 1094 . 1 1 87 87 PHE HE1 H 1 6.809 0.01 . 3 . . . . 87 PHE QE . 16034 1 1095 . 1 1 87 87 PHE HE2 H 1 6.809 0.01 . 3 . . . . 87 PHE QE . 16034 1 1096 . 1 1 87 87 PHE C C 13 176.627 0.2 . 1 . . . . 87 PHE C . 16034 1 1097 . 1 1 87 87 PHE CA C 13 59.554 0.2 . 1 . . . . 87 PHE CA . 16034 1 1098 . 1 1 87 87 PHE CB C 13 38.017 0.2 . 1 . . . . 87 PHE CB . 16034 1 1099 . 1 1 87 87 PHE N N 15 121.649 0.2 . 1 . . . . 87 PHE N . 16034 1 1100 . 1 1 88 88 LEU H H 1 7.953 0.01 . 1 . . . . 88 LEU H . 16034 1 1101 . 1 1 88 88 LEU HA H 1 3.775 0.01 . 1 . . . . 88 LEU HA . 16034 1 1102 . 1 1 88 88 LEU HB2 H 1 1.320 0.01 . 2 . . . . 88 LEU HB2 . 16034 1 1103 . 1 1 88 88 LEU HB3 H 1 1.674 0.01 . 2 . . . . 88 LEU HB3 . 16034 1 1104 . 1 1 88 88 LEU HD11 H 1 0.824 0.01 . . . . . . 88 LEU QD1 . 16034 1 1105 . 1 1 88 88 LEU HD12 H 1 0.824 0.01 . . . . . . 88 LEU QD1 . 16034 1 1106 . 1 1 88 88 LEU HD13 H 1 0.824 0.01 . . . . . . 88 LEU QD1 . 16034 1 1107 . 1 1 88 88 LEU HD21 H 1 0.697 0.01 . . . . . . 88 LEU QD2 . 16034 1 1108 . 1 1 88 88 LEU HD22 H 1 0.697 0.01 . . . . . . 88 LEU QD2 . 16034 1 1109 . 1 1 88 88 LEU HD23 H 1 0.697 0.01 . . . . . . 88 LEU QD2 . 16034 1 1110 . 1 1 88 88 LEU HG H 1 1.708 0.01 . 1 . . . . 88 LEU HG . 16034 1 1111 . 1 1 88 88 LEU C C 13 177.627 0.2 . 1 . . . . 88 LEU C . 16034 1 1112 . 1 1 88 88 LEU CA C 13 55.078 0.2 . 1 . . . . 88 LEU CA . 16034 1 1113 . 1 1 88 88 LEU CB C 13 41.226 0.2 . 1 . . . . 88 LEU CB . 16034 1 1114 . 1 1 88 88 LEU CD1 C 13 24.954 0.2 . 2 . . . . 88 LEU CD1 . 16034 1 1115 . 1 1 88 88 LEU CD2 C 13 21.783 0.2 . 2 . . . . 88 LEU CD2 . 16034 1 1116 . 1 1 88 88 LEU CG C 13 25.583 0.2 . 1 . . . . 88 LEU CG . 16034 1 1117 . 1 1 88 88 LEU N N 15 118.897 0.2 . 1 . . . . 88 LEU N . 16034 1 1118 . 1 1 89 89 GLU H H 1 7.475 0.01 . 1 . . . . 89 GLU H . 16034 1 1119 . 1 1 89 89 GLU HA H 1 3.914 0.01 . 1 . . . . 89 GLU HA . 16034 1 1120 . 1 1 89 89 GLU HB2 H 1 1.879 0.01 . 2 . . . . 89 GLU QB . 16034 1 1121 . 1 1 89 89 GLU HB3 H 1 1.879 0.01 . 2 . . . . 89 GLU QB . 16034 1 1122 . 1 1 89 89 GLU HG2 H 1 2.207 0.01 . 2 . . . . 89 GLU HG2 . 16034 1 1123 . 1 1 89 89 GLU HG3 H 1 2.150 0.01 . 2 . . . . 89 GLU HG3 . 16034 1 1124 . 1 1 89 89 GLU C C 13 176.127 0.2 . 1 . . . . 89 GLU C . 16034 1 1125 . 1 1 89 89 GLU CA C 13 56.926 0.2 . 1 . . . . 89 GLU CA . 16034 1 1126 . 1 1 89 89 GLU CB C 13 28.567 0.2 . 1 . . . . 89 GLU CB . 16034 1 1127 . 1 1 89 89 GLU CG C 13 34.941 0.2 . 1 . . . . 89 GLU CG . 16034 1 1128 . 1 1 89 89 GLU N N 15 119.332 0.2 . 1 . . . . 89 GLU N . 16034 1 1129 . 1 1 90 90 ASP H H 1 7.750 0.01 . 1 . . . . 90 ASP H . 16034 1 1130 . 1 1 90 90 ASP HA H 1 4.370 0.01 . 1 . . . . 90 ASP HA . 16034 1 1131 . 1 1 90 90 ASP HB2 H 1 2.227 0.01 . 2 . . . . 90 ASP HB2 . 16034 1 1132 . 1 1 90 90 ASP HB3 H 1 2.381 0.01 . 2 . . . . 90 ASP HB3 . 16034 1 1133 . 1 1 90 90 ASP C C 13 175.227 0.2 . 1 . . . . 90 ASP C . 16034 1 1134 . 1 1 90 90 ASP CA C 13 53.593 0.2 . 1 . . . . 90 ASP CA . 16034 1 1135 . 1 1 90 90 ASP CB C 13 40.323 0.2 . 1 . . . . 90 ASP CB . 16034 1 1136 . 1 1 90 90 ASP N N 15 118.945 0.2 . 1 . . . . 90 ASP N . 16034 1 1137 . 1 1 91 91 ASN H H 1 7.681 0.01 . 1 . . . . 91 ASN H . 16034 1 1138 . 1 1 91 91 ASN HA H 1 4.495 0.01 . 1 . . . . 91 ASN HA . 16034 1 1139 . 1 1 91 91 ASN HB2 H 1 2.200 0.01 . 2 . . . . 91 ASN HB2 . 16034 1 1140 . 1 1 91 91 ASN HB3 H 1 2.468 0.01 . 2 . . . . 91 ASN HB3 . 16034 1 1141 . 1 1 91 91 ASN HD21 H 1 6.564 0.01 . . . . . . 91 ASN HD21 . 16034 1 1142 . 1 1 91 91 ASN HD22 H 1 7.082 0.01 . . . . . . 91 ASN HD22 . 16034 1 1143 . 1 1 91 91 ASN C C 13 173.027 0.2 . 1 . . . . 91 ASN C . 16034 1 1144 . 1 1 91 91 ASN CA C 13 52.041 0.2 . 1 . . . . 91 ASN CA . 16034 1 1145 . 1 1 91 91 ASN CB C 13 38.072 0.2 . 1 . . . . 91 ASN CB . 16034 1 1146 . 1 1 91 91 ASN N N 15 118.171 0.2 . 1 . . . . 91 ASN N . 16034 1 1147 . 1 1 91 91 ASN ND2 N 15 114.444 0.2 . 1 . . . . 91 ASN ND2 . 16034 1 1148 . 1 1 92 92 LYS H H 1 7.487 0.01 . 1 . . . . 92 LYS H . 16034 1 1149 . 1 1 92 92 LYS HA H 1 3.906 0.01 . 1 . . . . 92 LYS HA . 16034 1 1150 . 1 1 92 92 LYS HB2 H 1 1.667 0.01 . 2 . . . . 92 LYS HB2 . 16034 1 1151 . 1 1 92 92 LYS HB3 H 1 1.586 0.01 . 2 . . . . 92 LYS HB3 . 16034 1 1152 . 1 1 92 92 LYS HD2 H 1 1.506 0.01 . 2 . . . . 92 LYS QD . 16034 1 1153 . 1 1 92 92 LYS HD3 H 1 1.506 0.01 . 2 . . . . 92 LYS QD . 16034 1 1154 . 1 1 92 92 LYS HE2 H 1 2.832 0.01 . 2 . . . . 92 LYS QE . 16034 1 1155 . 1 1 92 92 LYS HE3 H 1 2.832 0.01 . 2 . . . . 92 LYS QE . 16034 1 1156 . 1 1 92 92 LYS HG2 H 1 1.232 0.01 . 2 . . . . 92 LYS QG . 16034 1 1157 . 1 1 92 92 LYS HG3 H 1 1.232 0.01 . 2 . . . . 92 LYS QG . 16034 1 1158 . 1 1 92 92 LYS CA C 13 56.374 0.2 . 1 . . . . 92 LYS CA . 16034 1 1159 . 1 1 92 92 LYS CB C 13 32.449 0.2 . 1 . . . . 92 LYS CB . 16034 1 1160 . 1 1 92 92 LYS CD C 13 28.272 0.2 . 1 . . . . 92 LYS CD . 16034 1 1161 . 1 1 92 92 LYS CE C 13 41.283 0.2 . 1 . . . . 92 LYS CE . 16034 1 1162 . 1 1 92 92 LYS CG C 13 23.767 0.2 . 1 . . . . 92 LYS CG . 16034 1 1163 . 1 1 92 92 LYS N N 15 126.044 0.2 . 1 . . . . 92 LYS N . 16034 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 16034 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 19000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '1H-15N NOE' . . . 16034 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 0.62008 0.06308 . . . . . . . . . . 16034 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.9556 0.07523 . . . . . . . . . . 16034 1 3 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.8591 0.05511 . . . . . . . . . . 16034 1 4 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.826 0.06061 . . . . . . . . . . 16034 1 5 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.93773 0.06513 . . . . . . . . . . 16034 1 6 . 1 1 12 12 MET N N 15 . 1 1 12 12 MET H H 1 0.86773 0.07016 . . . . . . . . . . 16034 1 7 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.7576 0.05455 . . . . . . . . . . 16034 1 8 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.90113 0.04221 . . . . . . . . . . 16034 1 9 . 1 1 16 16 PHE N N 15 . 1 1 16 16 PHE H H 1 0.84451 0.05428 . . . . . . . . . . 16034 1 10 . 1 1 17 17 HIS N N 15 . 1 1 17 17 HIS H H 1 0.95 0.08087 . . . . . . . . . . 16034 1 11 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.92218 0.0503 . . . . . . . . . . 16034 1 12 . 1 1 19 19 TYR N N 15 . 1 1 19 19 TYR H H 1 0.95 0.068 . . . . . . . . . . 16034 1 13 . 1 1 20 20 SER N N 15 . 1 1 20 20 SER H H 1 0.95 0.07239 . . . . . . . . . . 16034 1 14 . 1 1 21 21 GLY N N 15 . 1 1 21 21 GLY H H 1 0.84206 0.05764 . . . . . . . . . . 16034 1 15 . 1 1 22 22 ARG N N 15 . 1 1 22 22 ARG H H 1 0.76032 0.03955 . . . . . . . . . . 16034 1 16 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.86692 0.05541 . . . . . . . . . . 16034 1 17 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.96 0.15637 . . . . . . . . . . 16034 1 18 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.90238 0.07057 . . . . . . . . . . 16034 1 19 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.7566 0.05122 . . . . . . . . . . 16034 1 20 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.94743 0.04988 . . . . . . . . . . 16034 1 21 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.94 0.11632 . . . . . . . . . . 16034 1 22 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.95921 0.09634 . . . . . . . . . . 16034 1 23 . 1 1 31 31 ARG N N 15 . 1 1 31 31 ARG H H 1 0.963 0.06098 . . . . . . . . . . 16034 1 24 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.96285 0.05564 . . . . . . . . . . 16034 1 25 . 1 1 33 33 GLU N N 15 . 1 1 33 33 GLU H H 1 0.96539 0.07141 . . . . . . . . . . 16034 1 26 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.89084 0.05675 . . . . . . . . . . 16034 1 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.92733 0.04955 . . . . . . . . . . 16034 1 28 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.85209 0.04057 . . . . . . . . . . 16034 1 29 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.61493 0.03816 . . . . . . . . . . 16034 1 30 . 1 1 39 39 LYS N N 15 . 1 1 39 39 LYS H H 1 0.90606 0.06097 . . . . . . . . . . 16034 1 31 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.95831 0.06181 . . . . . . . . . . 16034 1 32 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.88828 0.07341 . . . . . . . . . . 16034 1 33 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.41872 0.05978 . . . . . . . . . . 16034 1 34 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.58001 0.03081 . . . . . . . . . . 16034 1 35 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.39881 0.05455 . . . . . . . . . . 16034 1 36 . 1 1 50 50 SER N N 15 . 1 1 50 50 SER H H 1 0.82322 0.08979 . . . . . . . . . . 16034 1 37 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.85329 0.04042 . . . . . . . . . . 16034 1 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.80186 0.04035 . . . . . . . . . . 16034 1 39 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.82794 0.04827 . . . . . . . . . . 16034 1 40 . 1 1 56 56 MET N N 15 . 1 1 56 56 MET H H 1 0.84172 0.04686 . . . . . . . . . . 16034 1 41 . 1 1 57 57 LYS N N 15 . 1 1 57 57 LYS H H 1 0.89704 0.05309 . . . . . . . . . . 16034 1 42 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.88581 0.03942 . . . . . . . . . . 16034 1 43 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.70678 0.04927 . . . . . . . . . . 16034 1 44 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.81631 0.0498 . . . . . . . . . . 16034 1 45 . 1 1 61 61 LYS N N 15 . 1 1 61 61 LYS H H 1 0.68829 0.05229 . . . . . . . . . . 16034 1 46 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.82167 0.04042 . . . . . . . . . . 16034 1 47 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.92746 0.04106 . . . . . . . . . . 16034 1 48 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.91884 0.06432 . . . . . . . . . . 16034 1 49 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.81494 0.03728 . . . . . . . . . . 16034 1 50 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.87682 0.07028 . . . . . . . . . . 16034 1 51 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.84542 0.07612 . . . . . . . . . . 16034 1 52 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.90658 0.07262 . . . . . . . . . . 16034 1 53 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.83449 0.05142 . . . . . . . . . . 16034 1 54 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.89771 0.04026 . . . . . . . . . . 16034 1 55 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 0.946 0.07728 . . . . . . . . . . 16034 1 56 . 1 1 75 75 PHE N N 15 . 1 1 75 75 PHE H H 1 0.86888 0.06898 . . . . . . . . . . 16034 1 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.938 0.06135 . . . . . . . . . . 16034 1 58 . 1 1 78 78 MET N N 15 . 1 1 78 78 MET H H 1 0.954 0.07002 . . . . . . . . . . 16034 1 59 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.75275 0.06423 . . . . . . . . . . 16034 1 60 . 1 1 81 81 MET N N 15 . 1 1 81 81 MET H H 1 0.84504 0.05623 . . . . . . . . . . 16034 1 61 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 0.84061 0.05086 . . . . . . . . . . 16034 1 62 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.72151 0.03899 . . . . . . . . . . 16034 1 63 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.81167 0.02679 . . . . . . . . . . 16034 1 64 . 1 1 87 87 PHE N N 15 . 1 1 87 87 PHE H H 1 0.8608 0.06912 . . . . . . . . . . 16034 1 65 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.8469 0.06091 . . . . . . . . . . 16034 1 66 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.59171 0.02481 . . . . . . . . . . 16034 1 67 . 1 1 90 90 ASP N N 15 . 1 1 90 90 ASP H H 1 0.41239 0.01933 . . . . . . . . . . 16034 1 68 . 1 1 91 91 ASN N N 15 . 1 1 91 91 ASN H H 1 0.11448 0.01277 . . . . . . . . . . 16034 1 69 . 1 1 92 92 LYS N N 15 . 1 1 92 92 LYS H H 1 -0.43884 -0.01068 . . . . . . . . . . 16034 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 16034 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 13 '15N R1' . . . 16034 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 THR N N 15 1.06849 0.03174 . . . . . 16034 1 2 . 1 1 6 6 GLU N N 15 0.88731 0.07228 . . . . . 16034 1 3 . 1 1 8 8 ALA N N 15 0.77821 0.02895 . . . . . 16034 1 4 . 1 1 9 9 LEU N N 15 0.83893 0.03589 . . . . . 16034 1 5 . 1 1 10 10 THR N N 15 0.87796 0.04571 . . . . . 16034 1 6 . 1 1 11 11 THR N N 15 1.07817 0.04382 . . . . . 16034 1 7 . 1 1 12 12 MET N N 15 0.70922 0.06036 . . . . . 16034 1 8 . 1 1 14 14 THR N N 15 0.86505 0.03944 . . . . . 16034 1 9 . 1 1 15 15 THR N N 15 0.84317 0.03562 . . . . . 16034 1 10 . 1 1 16 16 PHE N N 15 0.81633 0.01333 . . . . . 16034 1 11 . 1 1 17 17 HIS N N 15 0.815 0.01979 . . . . . 16034 1 12 . 1 1 18 18 LYS N N 15 0.77942 0.02223 . . . . . 16034 1 13 . 1 1 19 19 TYR N N 15 0.79618 0.0412 . . . . . 16034 1 14 . 1 1 20 20 SER N N 15 0.87796 0.03831 . . . . . 16034 1 15 . 1 1 21 21 GLY N N 15 0.98232 0.05298 . . . . . 16034 1 16 . 1 1 22 22 ARG N N 15 0.94787 0.04753 . . . . . 16034 1 17 . 1 1 23 23 GLU N N 15 0.82169 0.02721 . . . . . 16034 1 18 . 1 1 25 25 SER N N 15 1.16414 0.05733 . . . . . 16034 1 19 . 1 1 27 27 LEU N N 15 0.99701 0.09006 . . . . . 16034 1 20 . 1 1 28 28 THR N N 15 0.91241 0.04462 . . . . . 16034 1 21 . 1 1 29 29 LEU N N 15 0.68966 0.06801 . . . . . 16034 1 22 . 1 1 30 30 SER N N 15 0.85106 0.05403 . . . . . 16034 1 23 . 1 1 31 31 ARG N N 15 0.92251 0.06076 . . . . . 16034 1 24 . 1 1 32 32 LYS N N 15 0.94697 0.0139 . . . . . 16034 1 25 . 1 1 33 33 GLU N N 15 0.96061 0.03396 . . . . . 16034 1 26 . 1 1 34 34 LEU N N 15 0.99108 0.05569 . . . . . 16034 1 27 . 1 1 35 35 LYS N N 15 0.86356 0.05026 . . . . . 16034 1 28 . 1 1 36 36 GLU N N 15 0.91912 0.0223 . . . . . 16034 1 29 . 1 1 37 37 LEU N N 15 0.93371 0.03287 . . . . . 16034 1 30 . 1 1 39 39 LYS N N 15 0.84818 0.06863 . . . . . 16034 1 31 . 1 1 40 40 LYS N N 15 0.87951 0.01856 . . . . . 16034 1 32 . 1 1 41 41 GLU N N 15 0.81037 0.02955 . . . . . 16034 1 33 . 1 1 44 44 LEU N N 15 1.17426 0.10245 . . . . . 16034 1 34 . 1 1 45 45 GLY N N 15 1.31148 0.04627 . . . . . 16034 1 35 . 1 1 48 48 LYS N N 15 1.10023 0.05012 . . . . . 16034 1 36 . 1 1 50 50 SER N N 15 1.20424 0.05453 . . . . . 16034 1 37 . 1 1 53 53 ASP N N 15 0.95877 0.02491 . . . . . 16034 1 38 . 1 1 54 54 ASP N N 15 1.00261 0.04373 . . . . . 16034 1 39 . 1 1 55 55 LEU N N 15 0.9311 0.05176 . . . . . 16034 1 40 . 1 1 56 56 MET N N 15 0.90334 0.04496 . . . . . 16034 1 41 . 1 1 57 57 LYS N N 15 0.88731 0.04291 . . . . . 16034 1 42 . 1 1 58 58 SER N N 15 0.87951 0.02421 . . . . . 16034 1 43 . 1 1 59 59 LEU N N 15 0.79177 0.06896 . . . . . 16034 1 44 . 1 1 60 60 ASP N N 15 0.81967 0.02096 . . . . . 16034 1 45 . 1 1 61 61 LYS N N 15 0.79491 0.01081 . . . . . 16034 1 46 . 1 1 63 63 SER N N 15 0.91575 0.07254 . . . . . 16034 1 47 . 1 1 64 64 ASP N N 15 0.94697 0.06232 . . . . . 16034 1 48 . 1 1 65 65 GLN N N 15 0.93545 0.04078 . . . . . 16034 1 49 . 1 1 66 66 GLU N N 15 0.94429 0.01774 . . . . . 16034 1 50 . 1 1 67 67 ILE N N 15 0.93284 0.0335 . . . . . 16034 1 51 . 1 1 68 68 ASP N N 15 0.99206 0.02549 . . . . . 16034 1 52 . 1 1 69 69 PHE N N 15 0.95147 0.05441 . . . . . 16034 1 53 . 1 1 70 70 LYS N N 15 0.94787 0.07098 . . . . . 16034 1 54 . 1 1 72 72 TYR N N 15 0.94429 0.02764 . . . . . 16034 1 55 . 1 1 74 74 VAL N N 15 0.8881 0.0153 . . . . . 16034 1 56 . 1 1 75 75 PHE N N 15 0.74516 0.07774 . . . . . 16034 1 57 . 1 1 76 76 LEU N N 15 0.91827 0.03693 . . . . . 16034 1 58 . 1 1 78 78 MET N N 15 0.757 0.03627 . . . . . 16034 1 59 . 1 1 79 79 LEU N N 15 0.92336 0.05815 . . . . . 16034 1 60 . 1 1 81 81 MET N N 15 0.90171 0.04179 . . . . . 16034 1 61 . 1 1 82 82 ALA N N 15 0.86957 0.04673 . . . . . 16034 1 62 . 1 1 85 85 ASP N N 15 0.9311 0.0124 . . . . . 16034 1 63 . 1 1 86 86 PHE N N 15 0.79302 0.01277 . . . . . 16034 1 64 . 1 1 87 87 PHE N N 15 1 0.0652 . . . . . 16034 1 65 . 1 1 88 88 LEU N N 15 0.93897 0.02283 . . . . . 16034 1 66 . 1 1 89 89 GLU N N 15 1.0017 0.02398 . . . . . 16034 1 67 . 1 1 90 90 ASP N N 15 1.27518 0.0496 . . . . . 16034 1 68 . 1 1 91 91 ASN N N 15 1.37817 0.03001 . . . . . 16034 1 69 . 1 1 92 92 LYS N N 15 1.04592 0.01138 . . . . . 16034 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 16034 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 700.13 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 14 '15N R2' . . . 16034 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 THR N N 15 18.98975 0.93037 . . . . . . . 16034 1 2 . 1 1 6 6 GLU N N 15 26.31579 1.25346 . . . . . . . 16034 1 3 . 1 1 8 8 ALA N N 15 24.1838 0.45677 . . . . . . . 16034 1 4 . 1 1 9 9 LEU N N 15 25.67394 0.83053 . . . . . . . 16034 1 5 . 1 1 10 10 THR N N 15 26.40613 1.74321 . . . . . . . 16034 1 6 . 1 1 11 11 THR N N 15 26.17116 0.73287 . . . . . . . 16034 1 7 . 1 1 12 12 MET N N 15 23.99808 1.04239 . . . . . . . 16034 1 8 . 1 1 14 14 THR N N 15 26.11648 1.10495 . . . . . . . 16034 1 9 . 1 1 15 15 THR N N 15 24.98126 0.55666 . . . . . . . 16034 1 10 . 1 1 16 16 PHE N N 15 25.74665 0.66952 . . . . . . . 16034 1 11 . 1 1 17 17 HIS N N 15 25.56237 1.72507 . . . . . . . 16034 1 12 . 1 1 18 18 LYS N N 15 24.0616 0.77581 . . . . . . . 16034 1 13 . 1 1 19 19 TYR N N 15 21.81501 0.93275 . . . . . . . 16034 1 14 . 1 1 20 20 SER N N 15 20.76843 0.91873 . . . . . . . 16034 1 15 . 1 1 21 21 GLY N N 15 24.02114 0.66934 . . . . . . . 16034 1 16 . 1 1 22 22 ARG N N 15 25.35497 0.97717 . . . . . . . 16034 1 17 . 1 1 23 23 GLU N N 15 22.77904 1.4892 . . . . . . . 16034 1 18 . 1 1 25 25 SER N N 15 27.69316 0.91262 . . . . . . . 16034 1 19 . 1 1 27 27 LEU N N 15 27.24053 1.09081 . . . . . . . 16034 1 20 . 1 1 28 28 THR N N 15 22.73761 0.79618 . . . . . . . 16034 1 21 . 1 1 29 29 LEU N N 15 21.29472 2.55754 . . . . . . . 16034 1 22 . 1 1 30 30 SER N N 15 17.68034 0.77211 . . . . . . . 16034 1 23 . 1 1 31 31 ARG N N 15 21.41786 0.47707 . . . . . . . 16034 1 24 . 1 1 32 32 LYS N N 15 22.55809 1.05336 . . . . . . . 16034 1 25 . 1 1 33 33 GLU N N 15 23.75861 1.8684 . . . . . . . 16034 1 26 . 1 1 34 34 LEU N N 15 22.81022 1.33198 . . . . . . . 16034 1 27 . 1 1 35 35 LYS N N 15 23.87205 0.50434 . . . . . . . 16034 1 28 . 1 1 36 36 GLU N N 15 22.25189 0.55952 . . . . . . . 16034 1 29 . 1 1 37 37 LEU N N 15 20.81599 0.55896 . . . . . . . 16034 1 30 . 1 1 39 39 LYS N N 15 23.57934 1.48448 . . . . . . . 16034 1 31 . 1 1 40 40 LYS N N 15 21.07926 1.30635 . . . . . . . 16034 1 32 . 1 1 41 41 GLU N N 15 23.64625 0.99528 . . . . . . . 16034 1 33 . 1 1 44 44 LEU N N 15 22.22716 2.10464 . . . . . . . 16034 1 34 . 1 1 45 45 GLY N N 15 13.16829 0.62425 . . . . . . . 16034 1 35 . 1 1 48 48 LYS N N 15 24.83238 1.15313 . . . . . . . 16034 1 36 . 1 1 50 50 SER N N 15 27.88622 1.15869 . . . . . . . 16034 1 37 . 1 1 53 53 ASP N N 15 22.65519 1.50384 . . . . . . . 16034 1 38 . 1 1 54 54 ASP N N 15 23.03086 0.76911 . . . . . . . 16034 1 39 . 1 1 55 55 LEU N N 15 22.04586 0.51032 . . . . . . . 16034 1 40 . 1 1 56 56 MET N N 15 23.43567 1.26323 . . . . . . . 16034 1 41 . 1 1 57 57 LYS N N 15 21.67787 0.83178 . . . . . . . 16034 1 42 . 1 1 58 58 SER N N 15 21.07038 0.55051 . . . . . . . 16034 1 43 . 1 1 59 59 LEU N N 15 24.39024 0.78525 . . . . . . . 16034 1 44 . 1 1 60 60 ASP N N 15 20.23882 0.42599 . . . . . . . 16034 1 45 . 1 1 61 61 LYS N N 15 20.69965 1.01549 . . . . . . . 16034 1 46 . 1 1 63 63 SER N N 15 21.44542 0.60248 . . . . . . . 16034 1 47 . 1 1 64 64 ASP N N 15 23.41372 0.63591 . . . . . . . 16034 1 48 . 1 1 65 65 GLN N N 15 24.69136 1.8046 . . . . . . . 16034 1 49 . 1 1 66 66 GLU N N 15 22.6142 0.97678 . . . . . . . 16034 1 50 . 1 1 67 67 ILE N N 15 20.05214 1.11378 . . . . . . . 16034 1 51 . 1 1 68 68 ASP N N 15 19.36858 1.47056 . . . . . . . 16034 1 52 . 1 1 69 69 PHE N N 15 24.95633 0.84703 . . . . . . . 16034 1 53 . 1 1 70 70 LYS N N 15 22.11411 0.54772 . . . . . . . 16034 1 54 . 1 1 73 73 SER N N 15 23.08403 0.77799 . . . . . . . 16034 1 55 . 1 1 74 74 VAL N N 15 22.90426 1.42693 . . . . . . . 16034 1 56 . 1 1 75 75 PHE N N 15 24.17211 0.65441 . . . . . . . 16034 1 57 . 1 1 76 76 LEU N N 15 22.73244 0.49506 . . . . . . . 16034 1 58 . 1 1 78 78 MET N N 15 21.9106 0.98895 . . . . . . . 16034 1 59 . 1 1 79 79 LEU N N 15 21.42704 1.15698 . . . . . . . 16034 1 60 . 1 1 81 81 MET N N 15 25.13826 1.74413 . . . . . . . 16034 1 61 . 1 1 82 82 ALA N N 15 22.30152 0.7709 . . . . . . . 16034 1 62 . 1 1 85 85 ASP N N 15 20.58884 0.58922 . . . . . . . 16034 1 63 . 1 1 86 86 PHE N N 15 21.72496 0.21144 . . . . . . . 16034 1 64 . 1 1 87 87 PHE N N 15 20.06823 0.49536 . . . . . . . 16034 1 65 . 1 1 88 88 LEU N N 15 23.19109 0.80674 . . . . . . . 16034 1 66 . 1 1 89 89 GLU N N 15 16.91761 0.2759 . . . . . . . 16034 1 67 . 1 1 90 90 ASP N N 15 12.31072 0.17126 . . . . . . . 16034 1 68 . 1 1 91 91 ASN N N 15 8.31255 0.16722 . . . . . . . 16034 1 69 . 1 1 92 92 LYS N N 15 3.87747 0.1084 . . . . . . . 16034 1 stop_ save_