data_15132 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15132 _Entry.Title ; The highly cooperative folding of small, naturally occurring proteins is likely the result of natural selection. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-14 _Entry.Accession_date 2007-02-14 _Entry.Last_release_date 2007-03-29 _Entry.Original_release_date 2007-03-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignments for a mutant of the computationally designed protein, Top7.' _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 Alexander Watters . L. . 15132 2 Priti Deka . . . 15132 3 Colin Corrent . . . 15132 4 David Callender . . . 15132 5 Gabriele Varani . . . 15132 6 Tobin Sosnick . . . 15132 7 David Baker . . . 15132 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Accelerated Technologies Center for Gene to 3D Structure' . 15132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 15132 '15N chemical shifts' 102 15132 '1H chemical shifts' 370 15132 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-03-29 2007-02-14 original author . 15132 stop_ save_ ############### # Citations # ############### save_Top7_F17Q_Y19L_K41E_K42E_K57E _Citation.Sf_category citations _Citation.Sf_framecode Top7_F17Q_Y19L_K41E_K42E_K57E _Citation.Entry_ID 15132 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17289578 _Citation.Full_citation . _Citation.Title 'The highly cooperative folding of small, naturally occurring proteins is likely the result of natural selection.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 3 _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 613 _Citation.Page_last 624 _Citation.Year 2007 _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 Alexander Watters . . . 15132 1 2 Pritilekha Deka . . . 15132 1 3 Colin Corrent . . . 15132 1 4 David Callender . . . 15132 1 5 Gabriele Varani . . . 15132 1 6 Tobin Sosnick . . . 15132 1 7 David Baker . . . 15132 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein design' 15132 1 'protein evolution' 15132 1 'protein folding' 15132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15132 _Assembly.ID 1 _Assembly.Name 'Top7 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 monomer 1 $Top7 A . yes native no no . . . 15132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Top7 _Entity.Sf_category entity _Entity.Sf_framecode Top7 _Entity.Entry_ID 15132 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Top7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGDIQVQVNIDDNGKNQDLT YTVTTESELQKVLNELKDYI EEQGAKRVRISITARTEKEA EKFAAILIKVFAELGYNDIN VTWDGDTVTVEGQLEGGSLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 and 95-106 are part of the expression vector and not ordered in the folded strucutre.' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'F17Q Y19L K41I K42E K57E, F83W' _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 2014-05-26 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 7101 . CFr . . . . . 51.89 62 98.18 100.00 2.33e-28 . . . . 15132 1 2 no PDB 2GJH . "Nmr Structure Of Cfr (C-Terminal Fragment Of Computationally Designed Novel-Topology Protein Top7)" . . . . . 51.89 62 98.18 100.00 2.33e-28 . . . . 15132 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 . 15132 1 2 . GLY . 15132 1 3 . ASP . 15132 1 4 . ILE . 15132 1 5 . GLN . 15132 1 6 . VAL . 15132 1 7 . GLN . 15132 1 8 . VAL . 15132 1 9 . ASN . 15132 1 10 . ILE . 15132 1 11 . ASP . 15132 1 12 . ASP . 15132 1 13 . ASN . 15132 1 14 . GLY . 15132 1 15 . LYS . 15132 1 16 . ASN . 15132 1 17 . GLN . 15132 1 18 . ASP . 15132 1 19 . LEU . 15132 1 20 . THR . 15132 1 21 . TYR . 15132 1 22 . THR . 15132 1 23 . VAL . 15132 1 24 . THR . 15132 1 25 . THR . 15132 1 26 . GLU . 15132 1 27 . SER . 15132 1 28 . GLU . 15132 1 29 . LEU . 15132 1 30 . GLN . 15132 1 31 . LYS . 15132 1 32 . VAL . 15132 1 33 . LEU . 15132 1 34 . ASN . 15132 1 35 . GLU . 15132 1 36 . LEU . 15132 1 37 . LYS . 15132 1 38 . ASP . 15132 1 39 . TYR . 15132 1 40 . ILE . 15132 1 41 . GLU . 15132 1 42 . GLU . 15132 1 43 . GLN . 15132 1 44 . GLY . 15132 1 45 . ALA . 15132 1 46 . LYS . 15132 1 47 . ARG . 15132 1 48 . VAL . 15132 1 49 . ARG . 15132 1 50 . ILE . 15132 1 51 . SER . 15132 1 52 . ILE . 15132 1 53 . THR . 15132 1 54 . ALA . 15132 1 55 . ARG . 15132 1 56 . THR . 15132 1 57 . GLU . 15132 1 58 . LYS . 15132 1 59 . GLU . 15132 1 60 . ALA . 15132 1 61 . GLU . 15132 1 62 . LYS . 15132 1 63 . PHE . 15132 1 64 . ALA . 15132 1 65 . ALA . 15132 1 66 . ILE . 15132 1 67 . LEU . 15132 1 68 . ILE . 15132 1 69 . LYS . 15132 1 70 . VAL . 15132 1 71 . PHE . 15132 1 72 . ALA . 15132 1 73 . GLU . 15132 1 74 . LEU . 15132 1 75 . GLY . 15132 1 76 . TYR . 15132 1 77 . ASN . 15132 1 78 . ASP . 15132 1 79 . ILE . 15132 1 80 . ASN . 15132 1 81 . VAL . 15132 1 82 . THR . 15132 1 83 . TRP . 15132 1 84 . ASP . 15132 1 85 . GLY . 15132 1 86 . ASP . 15132 1 87 . THR . 15132 1 88 . VAL . 15132 1 89 . THR . 15132 1 90 . VAL . 15132 1 91 . GLU . 15132 1 92 . GLY . 15132 1 93 . GLN . 15132 1 94 . LEU . 15132 1 95 . GLU . 15132 1 96 . GLY . 15132 1 97 . GLY . 15132 1 98 . SER . 15132 1 99 . LEU . 15132 1 100 . GLU . 15132 1 101 . HIS . 15132 1 102 . HIS . 15132 1 103 . HIS . 15132 1 104 . HIS . 15132 1 105 . HIS . 15132 1 106 . HIS . 15132 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 15132 1 . GLY 2 2 15132 1 . ASP 3 3 15132 1 . ILE 4 4 15132 1 . GLN 5 5 15132 1 . VAL 6 6 15132 1 . GLN 7 7 15132 1 . VAL 8 8 15132 1 . ASN 9 9 15132 1 . ILE 10 10 15132 1 . ASP 11 11 15132 1 . ASP 12 12 15132 1 . ASN 13 13 15132 1 . GLY 14 14 15132 1 . LYS 15 15 15132 1 . ASN 16 16 15132 1 . GLN 17 17 15132 1 . ASP 18 18 15132 1 . LEU 19 19 15132 1 . THR 20 20 15132 1 . TYR 21 21 15132 1 . THR 22 22 15132 1 . VAL 23 23 15132 1 . THR 24 24 15132 1 . THR 25 25 15132 1 . GLU 26 26 15132 1 . SER 27 27 15132 1 . GLU 28 28 15132 1 . LEU 29 29 15132 1 . GLN 30 30 15132 1 . LYS 31 31 15132 1 . VAL 32 32 15132 1 . LEU 33 33 15132 1 . ASN 34 34 15132 1 . GLU 35 35 15132 1 . LEU 36 36 15132 1 . LYS 37 37 15132 1 . ASP 38 38 15132 1 . TYR 39 39 15132 1 . ILE 40 40 15132 1 . GLU 41 41 15132 1 . GLU 42 42 15132 1 . GLN 43 43 15132 1 . GLY 44 44 15132 1 . ALA 45 45 15132 1 . LYS 46 46 15132 1 . ARG 47 47 15132 1 . VAL 48 48 15132 1 . ARG 49 49 15132 1 . ILE 50 50 15132 1 . SER 51 51 15132 1 . ILE 52 52 15132 1 . THR 53 53 15132 1 . ALA 54 54 15132 1 . ARG 55 55 15132 1 . THR 56 56 15132 1 . GLU 57 57 15132 1 . LYS 58 58 15132 1 . GLU 59 59 15132 1 . ALA 60 60 15132 1 . GLU 61 61 15132 1 . LYS 62 62 15132 1 . PHE 63 63 15132 1 . ALA 64 64 15132 1 . ALA 65 65 15132 1 . ILE 66 66 15132 1 . LEU 67 67 15132 1 . ILE 68 68 15132 1 . LYS 69 69 15132 1 . VAL 70 70 15132 1 . PHE 71 71 15132 1 . ALA 72 72 15132 1 . GLU 73 73 15132 1 . LEU 74 74 15132 1 . GLY 75 75 15132 1 . TYR 76 76 15132 1 . ASN 77 77 15132 1 . ASP 78 78 15132 1 . ILE 79 79 15132 1 . ASN 80 80 15132 1 . VAL 81 81 15132 1 . THR 82 82 15132 1 . TRP 83 83 15132 1 . ASP 84 84 15132 1 . GLY 85 85 15132 1 . ASP 86 86 15132 1 . THR 87 87 15132 1 . VAL 88 88 15132 1 . THR 89 89 15132 1 . VAL 90 90 15132 1 . GLU 91 91 15132 1 . GLY 92 92 15132 1 . GLN 93 93 15132 1 . LEU 94 94 15132 1 . GLU 95 95 15132 1 . GLY 96 96 15132 1 . GLY 97 97 15132 1 . SER 98 98 15132 1 . LEU 99 99 15132 1 . GLU 100 100 15132 1 . HIS 101 101 15132 1 . HIS 102 102 15132 1 . HIS 103 103 15132 1 . HIS 104 104 15132 1 . HIS 105 105 15132 1 . HIS 106 106 15132 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15132 _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 $Top7 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . ; This protein was computationally designed de novo, and hence has no natural source. The protein was produced from a synthetic gene. ; . . 15132 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 15132 _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 $Top7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET29b . . . . . . 15132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15132 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Top7 '[U-99% 15N]' . . 1 $Top7 . . 1 . . mM . . . . 15132 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15132 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15132 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15132 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15132 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Top7 '[U-99% 13C; U-99% 15N]' . . 1 $Top7 . . 1 . . mM . . . . 15132 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15132 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15132 2 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15132 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 15132 _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' 50 . mM 15132 1 pH 6.0 . pH 15132 1 pressure 1 . atm 15132 1 temperature 298 . K 15132 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15132 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15132 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15132 1 'data analysis' 15132 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15132 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15132 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15132 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15132 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15132 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15132 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_1 _NMR_spectrometer.Entry_ID 15132 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15132 _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 DRX . 500 . . . 15132 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 15132 _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 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $nmr_spectrometer_1 . . . . . . . . . . . . . . . . 15132 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 15132 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 15132 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 15132 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 15132 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 15132 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15132 1 2 '3D CBCA(CO)NH' . . . 15132 1 3 '3D HNCO' . . . 15132 1 4 '3D HNCA' . . . 15132 1 5 '3D HNCACB' . . . 15132 1 6 '3D 1H-15N NOESY' . . . 15132 1 7 '3D 1H-13C NOESY' . . . 15132 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.71 0.02 . 1 . . . . 2 GLY HA2 . 15132 1 2 . 1 1 2 2 GLY HA3 H 1 3.71 0.02 . 1 . . . . 2 GLY HA3 . 15132 1 3 . 1 1 2 2 GLY CA C 13 43.4 0.4 . 1 . . . . 2 GLY CA . 15132 1 4 . 1 1 3 3 ASP H H 1 8.4 0.02 . 1 . . . . 3 ASP H . 15132 1 5 . 1 1 3 3 ASP HA H 1 4.64 0.02 . 1 . . . . 3 ASP HA . 15132 1 6 . 1 1 3 3 ASP HB2 H 1 2.39 0.02 . 1 . . . . 3 ASP HB2 . 15132 1 7 . 1 1 3 3 ASP HB3 H 1 2.39 0.02 . 1 . . . . 3 ASP HB3 . 15132 1 8 . 1 1 3 3 ASP C C 13 173.95 0.4 . 1 . . . . 3 ASP C . 15132 1 9 . 1 1 3 3 ASP CA C 13 54.8 0.4 . 1 . . . . 3 ASP CA . 15132 1 10 . 1 1 3 3 ASP CB C 13 41.4 0.4 . 1 . . . . 3 ASP CB . 15132 1 11 . 1 1 3 3 ASP N N 15 120.1 0.4 . 1 . . . . 3 ASP N . 15132 1 12 . 1 1 4 4 ILE H H 1 8.67 0.02 . 1 . . . . 4 ILE H . 15132 1 13 . 1 1 4 4 ILE HA H 1 3.93 0.02 . 1 . . . . 4 ILE HA . 15132 1 14 . 1 1 4 4 ILE HB H 1 1.51 0.02 . 1 . . . . 4 ILE HB . 15132 1 15 . 1 1 4 4 ILE C C 13 172 0.4 . 1 . . . . 4 ILE C . 15132 1 16 . 1 1 4 4 ILE CA C 13 61.4 0.4 . 1 . . . . 4 ILE CA . 15132 1 17 . 1 1 4 4 ILE CB C 13 39.8 0.4 . 1 . . . . 4 ILE CB . 15132 1 18 . 1 1 4 4 ILE N N 15 122.7 0.4 . 1 . . . . 4 ILE N . 15132 1 19 . 1 1 5 5 GLN H H 1 8.526 0.02 . 1 . . . . 5 GLN H . 15132 1 20 . 1 1 5 5 GLN HA H 1 5.03 0.02 . 1 . . . . 5 GLN HA . 15132 1 21 . 1 1 5 5 GLN HB2 H 1 1.79 0.02 . 1 . . . . 5 GLN HB2 . 15132 1 22 . 1 1 5 5 GLN HB3 H 1 1.79 0.02 . 1 . . . . 5 GLN HB3 . 15132 1 23 . 1 1 5 5 GLN C C 13 173.33 0.4 . 1 . . . . 5 GLN C . 15132 1 24 . 1 1 5 5 GLN CA C 13 54.58 0.4 . 1 . . . . 5 GLN CA . 15132 1 25 . 1 1 5 5 GLN CB C 13 30.94 0.4 . 1 . . . . 5 GLN CB . 15132 1 26 . 1 1 5 5 GLN N N 15 125.6 0.4 . 1 . . . . 5 GLN N . 15132 1 27 . 1 1 6 6 VAL H H 1 9.036 0.02 . 1 . . . . 6 VAL H . 15132 1 28 . 1 1 6 6 VAL HA H 1 4.86 0.02 . 1 . . . . 6 VAL HA . 15132 1 29 . 1 1 6 6 VAL C C 13 172.88 0.4 . 1 . . . . 6 VAL C . 15132 1 30 . 1 1 6 6 VAL CA C 13 60.41 0.4 . 1 . . . . 6 VAL CA . 15132 1 31 . 1 1 6 6 VAL CB C 13 34.26 0.4 . 1 . . . . 6 VAL CB . 15132 1 32 . 1 1 6 6 VAL N N 15 126 0.4 . 1 . . . . 6 VAL N . 15132 1 33 . 1 1 7 7 GLN H H 1 9.088 0.02 . 1 . . . . 7 GLN H . 15132 1 34 . 1 1 7 7 GLN HA H 1 5.19 0.02 . 1 . . . . 7 GLN HA . 15132 1 35 . 1 1 7 7 GLN HB2 H 1 1.82 0.02 . 2 . . . . 7 GLN HB2 . 15132 1 36 . 1 1 7 7 GLN HB3 H 1 1.95 0.02 . 2 . . . . 7 GLN HB3 . 15132 1 37 . 1 1 7 7 GLN CA C 13 54.51 0.4 . 1 . . . . 7 GLN CA . 15132 1 38 . 1 1 7 7 GLN CB C 13 31.98 0.4 . 1 . . . . 7 GLN CB . 15132 1 39 . 1 1 7 7 GLN N N 15 126.3 0.4 . 1 . . . . 7 GLN N . 15132 1 40 . 1 1 8 8 VAL H H 1 9.199 0.02 . 1 . . . . 8 VAL H . 15132 1 41 . 1 1 8 8 VAL HA H 1 4.93 0.02 . 1 . . . . 8 VAL HA . 15132 1 42 . 1 1 8 8 VAL C C 13 172.1 0.4 . 1 . . . . 8 VAL C . 15132 1 43 . 1 1 8 8 VAL CA C 13 60.55 0.4 . 1 . . . . 8 VAL CA . 15132 1 44 . 1 1 8 8 VAL CB C 13 34.8 0.4 . 1 . . . . 8 VAL CB . 15132 1 45 . 1 1 8 8 VAL N N 15 125.5 0.4 . 1 . . . . 8 VAL N . 15132 1 46 . 1 1 9 9 ASN H H 1 9.258 0.02 . 1 . . . . 9 ASN H . 15132 1 47 . 1 1 9 9 ASN HA H 1 5.53 0.02 . 1 . . . . 9 ASN HA . 15132 1 48 . 1 1 9 9 ASN HB2 H 1 2.52 0.02 . 2 . . . . 9 ASN HB2 . 15132 1 49 . 1 1 9 9 ASN HB3 H 1 2.6 0.02 . 2 . . . . 9 ASN HB3 . 15132 1 50 . 1 1 9 9 ASN HD21 H 1 6.86 0.02 . 2 . . . . 9 ASN HD21 . 15132 1 51 . 1 1 9 9 ASN HD22 H 1 8.04 0.02 . 2 . . . . 9 ASN HD22 . 15132 1 52 . 1 1 9 9 ASN C C 13 171.7 0.4 . 1 . . . . 9 ASN C . 15132 1 53 . 1 1 9 9 ASN CA C 13 53.06 0.4 . 1 . . . . 9 ASN CA . 15132 1 54 . 1 1 9 9 ASN CB C 13 43.23 0.4 . 1 . . . . 9 ASN CB . 15132 1 55 . 1 1 9 9 ASN N N 15 126.1 0.4 . 1 . . . . 9 ASN N . 15132 1 56 . 1 1 9 9 ASN ND2 N 15 112.8 0.4 . 1 . . . . 9 ASN ND2 . 15132 1 57 . 1 1 10 10 ILE H H 1 8.921 0.02 . 1 . . . . 10 ILE H . 15132 1 58 . 1 1 10 10 ILE HA H 1 4.47 0.02 . 1 . . . . 10 ILE HA . 15132 1 59 . 1 1 10 10 ILE HB H 1 1.74 0.02 . 1 . . . . 10 ILE HB . 15132 1 60 . 1 1 10 10 ILE C C 13 172.15 0.4 . 1 . . . . 10 ILE C . 15132 1 61 . 1 1 10 10 ILE CA C 13 60.44 0.4 . 1 . . . . 10 ILE CA . 15132 1 62 . 1 1 10 10 ILE CB C 13 40.84 0.4 . 1 . . . . 10 ILE CB . 15132 1 63 . 1 1 10 10 ILE N N 15 125.1 0.4 . 1 . . . . 10 ILE N . 15132 1 64 . 1 1 11 11 ASP H H 1 8.426 0.02 . 1 . . . . 11 ASP H . 15132 1 65 . 1 1 11 11 ASP HA H 1 4.83 0.02 . 1 . . . . 11 ASP HA . 15132 1 66 . 1 1 11 11 ASP HB2 H 1 2.69 0.02 . 1 . . . . 11 ASP HB2 . 15132 1 67 . 1 1 11 11 ASP HB3 H 1 2.69 0.02 . 1 . . . . 11 ASP HB3 . 15132 1 68 . 1 1 11 11 ASP C C 13 173.04 0.4 . 1 . . . . 11 ASP C . 15132 1 69 . 1 1 11 11 ASP CA C 13 53.98 0.4 . 1 . . . . 11 ASP CA . 15132 1 70 . 1 1 11 11 ASP CB C 13 42.74 0.4 . 1 . . . . 11 ASP CB . 15132 1 71 . 1 1 11 11 ASP N N 15 125.7 0.4 . 1 . . . . 11 ASP N . 15132 1 72 . 1 1 12 12 ASP H H 1 8.397 0.02 . 1 . . . . 12 ASP H . 15132 1 73 . 1 1 12 12 ASP HA H 1 4.72 0.02 . 1 . . . . 12 ASP HA . 15132 1 74 . 1 1 12 12 ASP HB2 H 1 2.39 0.02 . 2 . . . . 12 ASP HB2 . 15132 1 75 . 1 1 12 12 ASP HB3 H 1 2.7 0.02 . 2 . . . . 12 ASP HB3 . 15132 1 76 . 1 1 12 12 ASP C C 13 174 0.4 . 1 . . . . 12 ASP C . 15132 1 77 . 1 1 12 12 ASP CA C 13 53.3 0.4 . 1 . . . . 12 ASP CA . 15132 1 78 . 1 1 12 12 ASP CB C 13 42.07 0.4 . 1 . . . . 12 ASP CB . 15132 1 79 . 1 1 12 12 ASP N N 15 123.1 0.4 . 1 . . . . 12 ASP N . 15132 1 80 . 1 1 15 15 LYS H H 1 7.701 0.02 . 1 . . . . 15 LYS H . 15132 1 81 . 1 1 15 15 LYS HA H 1 4.33 0.02 . 1 . . . . 15 LYS HA . 15132 1 82 . 1 1 15 15 LYS HB2 H 1 1.68 0.02 . 2 . . . . 15 LYS HB2 . 15132 1 83 . 1 1 15 15 LYS HB3 H 1 1.75 0.02 . 2 . . . . 15 LYS HB3 . 15132 1 84 . 1 1 15 15 LYS C C 13 173.55 0.4 . 1 . . . . 15 LYS C . 15132 1 85 . 1 1 15 15 LYS CA C 13 55.77 0.4 . 1 . . . . 15 LYS CA . 15132 1 86 . 1 1 15 15 LYS CB C 13 33.14 0.4 . 1 . . . . 15 LYS CB . 15132 1 87 . 1 1 15 15 LYS N N 15 121.4 0.4 . 1 . . . . 15 LYS N . 15132 1 88 . 1 1 16 16 ASN H H 1 8.503 0.02 . 1 . . . . 16 ASN H . 15132 1 89 . 1 1 16 16 ASN HA H 1 5.12 0.02 . 1 . . . . 16 ASN HA . 15132 1 90 . 1 1 16 16 ASN HB2 H 1 2.58 0.02 . 1 . . . . 16 ASN HB2 . 15132 1 91 . 1 1 16 16 ASN HB3 H 1 2.58 0.02 . 1 . . . . 16 ASN HB3 . 15132 1 92 . 1 1 16 16 ASN C C 13 173.03 0.4 . 1 . . . . 16 ASN C . 15132 1 93 . 1 1 16 16 ASN CA C 13 53.49 0.4 . 1 . . . . 16 ASN CA . 15132 1 94 . 1 1 16 16 ASN CB C 13 40.78 0.4 . 1 . . . . 16 ASN CB . 15132 1 95 . 1 1 16 16 ASN N N 15 122.1 0.4 . 1 . . . . 16 ASN N . 15132 1 96 . 1 1 17 17 GLN H H 1 8.562 0.02 . 1 . . . . 17 GLN H . 15132 1 97 . 1 1 17 17 GLN HA H 1 4.48 0.02 . 1 . . . . 17 GLN HA . 15132 1 98 . 1 1 17 17 GLN HB2 H 1 1.82 0.02 . 2 . . . . 17 GLN HB2 . 15132 1 99 . 1 1 17 17 GLN HB3 H 1 1.98 0.02 . 2 . . . . 17 GLN HB3 . 15132 1 100 . 1 1 17 17 GLN C C 13 171.95 0.4 . 1 . . . . 17 GLN C . 15132 1 101 . 1 1 17 17 GLN CA C 13 55.34 0.4 . 1 . . . . 17 GLN CA . 15132 1 102 . 1 1 17 17 GLN CB C 13 31.88 0.4 . 1 . . . . 17 GLN CB . 15132 1 103 . 1 1 17 17 GLN N N 15 121.4 0.4 . 1 . . . . 17 GLN N . 15132 1 104 . 1 1 18 18 ASP H H 1 8.304 0.02 . 1 . . . . 18 ASP H . 15132 1 105 . 1 1 18 18 ASP HA H 1 5.5 0.02 . 1 . . . . 18 ASP HA . 15132 1 106 . 1 1 18 18 ASP HB2 H 1 2.32 0.02 . 1 . . . . 18 ASP HB2 . 15132 1 107 . 1 1 18 18 ASP HB3 H 1 2.32 0.02 . 1 . . . . 18 ASP HB3 . 15132 1 108 . 1 1 18 18 ASP C C 13 173.5 0.4 . 1 . . . . 18 ASP C . 15132 1 109 . 1 1 18 18 ASP CA C 13 53.67 0.4 . 1 . . . . 18 ASP CA . 15132 1 110 . 1 1 18 18 ASP CB C 13 43.23 0.4 . 1 . . . . 18 ASP CB . 15132 1 111 . 1 1 18 18 ASP N N 15 123.4 0.4 . 1 . . . . 18 ASP N . 15132 1 112 . 1 1 19 19 LEU H H 1 8.719 0.02 . 1 . . . . 19 LEU H . 15132 1 113 . 1 1 19 19 LEU HA H 1 4.5 0.02 . 1 . . . . 19 LEU HA . 15132 1 114 . 1 1 19 19 LEU HB2 H 1 1.28 0.02 . 1 . . . . 19 LEU HB2 . 15132 1 115 . 1 1 19 19 LEU HB3 H 1 1.28 0.02 . 1 . . . . 19 LEU HB3 . 15132 1 116 . 1 1 19 19 LEU C C 13 173.73 0.4 . 1 . . . . 19 LEU C . 15132 1 117 . 1 1 19 19 LEU CA C 13 54.43 0.4 . 1 . . . . 19 LEU CA . 15132 1 118 . 1 1 19 19 LEU CB C 13 45.62 0.4 . 1 . . . . 19 LEU CB . 15132 1 119 . 1 1 19 19 LEU N N 15 123 0.4 . 1 . . . . 19 LEU N . 15132 1 120 . 1 1 20 20 THR H H 1 7.898 0.02 . 1 . . . . 20 THR H . 15132 1 121 . 1 1 20 20 THR HA H 1 5.15 0.02 . 1 . . . . 20 THR HA . 15132 1 122 . 1 1 20 20 THR HB H 1 3.72 0.02 . 1 . . . . 20 THR HB . 15132 1 123 . 1 1 20 20 THR C C 13 170.68 0.4 . 1 . . . . 20 THR C . 15132 1 124 . 1 1 20 20 THR CA C 13 60.88 0.4 . 1 . . . . 20 THR CA . 15132 1 125 . 1 1 20 20 THR CB C 13 70.81 0.4 . 1 . . . . 20 THR CB . 15132 1 126 . 1 1 20 20 THR N N 15 116 0.4 . 1 . . . . 20 THR N . 15132 1 127 . 1 1 21 21 TYR H H 1 9.047 0.02 . 1 . . . . 21 TYR H . 15132 1 128 . 1 1 21 21 TYR HA H 1 4.68 0.02 . 1 . . . . 21 TYR HA . 15132 1 129 . 1 1 21 21 TYR HB2 H 1 2.83 0.02 . 2 . . . . 21 TYR HB2 . 15132 1 130 . 1 1 21 21 TYR HB3 H 1 2.36 0.02 . 2 . . . . 21 TYR HB3 . 15132 1 131 . 1 1 21 21 TYR HD1 H 1 6.78 0.02 . 3 . . . . 21 TYR HD1 . 15132 1 132 . 1 1 21 21 TYR C C 13 172.9 0.4 . 1 . . . . 21 TYR C . 15132 1 133 . 1 1 21 21 TYR CA C 13 56.62 0.4 . 1 . . . . 21 TYR CA . 15132 1 134 . 1 1 21 21 TYR CB C 13 42.3 0.4 . 1 . . . . 21 TYR CB . 15132 1 135 . 1 1 21 21 TYR N N 15 123.2 0.4 . 1 . . . . 21 TYR N . 15132 1 136 . 1 1 22 22 THR H H 1 8.601 0.02 . 1 . . . . 22 THR H . 15132 1 137 . 1 1 22 22 THR HA H 1 5.03 0.02 . 1 . . . . 22 THR HA . 15132 1 138 . 1 1 22 22 THR HB H 1 3.77 0.02 . 1 . . . . 22 THR HB . 15132 1 139 . 1 1 22 22 THR CA C 13 62.06 0.4 . 1 . . . . 22 THR CA . 15132 1 140 . 1 1 22 22 THR CB C 13 70.37 0.4 . 1 . . . . 22 THR CB . 15132 1 141 . 1 1 22 22 THR N N 15 118.3 0.4 . 1 . . . . 22 THR N . 15132 1 142 . 1 1 23 23 VAL H H 1 9.026 0.02 . 1 . . . . 23 VAL H . 15132 1 143 . 1 1 23 23 VAL HA H 1 4.73 0.02 . 1 . . . . 23 VAL HA . 15132 1 144 . 1 1 23 23 VAL HB H 1 2.19 0.02 . 1 . . . . 23 VAL HB . 15132 1 145 . 1 1 23 23 VAL C C 13 173.21 0.4 . 1 . . . . 23 VAL C . 15132 1 146 . 1 1 23 23 VAL CA C 13 59.09 0.4 . 1 . . . . 23 VAL CA . 15132 1 147 . 1 1 23 23 VAL CB C 13 35.36 0.4 . 1 . . . . 23 VAL CB . 15132 1 148 . 1 1 23 23 VAL N N 15 120 0.4 . 1 . . . . 23 VAL N . 15132 1 149 . 1 1 24 24 THR H H 1 8.785 0.02 . 1 . . . . 24 THR H . 15132 1 150 . 1 1 24 24 THR HA H 1 4.69 0.02 . 1 . . . . 24 THR HA . 15132 1 151 . 1 1 24 24 THR HB H 1 4.22 0.02 . 1 . . . . 24 THR HB . 15132 1 152 . 1 1 24 24 THR C C 13 173.19 0.4 . 1 . . . . 24 THR C . 15132 1 153 . 1 1 24 24 THR CA C 13 62.81 0.4 . 1 . . . . 24 THR CA . 15132 1 154 . 1 1 24 24 THR CB C 13 70.59 0.4 . 1 . . . . 24 THR CB . 15132 1 155 . 1 1 24 24 THR N N 15 110.7 0.4 . 1 . . . . 24 THR N . 15132 1 156 . 1 1 25 25 THR H H 1 7.294 0.02 . 1 . . . . 25 THR H . 15132 1 157 . 1 1 25 25 THR HA H 1 4.73 0.02 . 1 . . . . 25 THR HA . 15132 1 158 . 1 1 25 25 THR HB H 1 4.5 0.02 . 1 . . . . 25 THR HB . 15132 1 159 . 1 1 25 25 THR C C 13 172.91 0.4 . 1 . . . . 25 THR C . 15132 1 160 . 1 1 25 25 THR CA C 13 59.14 0.4 . 1 . . . . 25 THR CA . 15132 1 161 . 1 1 25 25 THR CB C 13 73.12 0.4 . 1 . . . . 25 THR CB . 15132 1 162 . 1 1 25 25 THR N N 15 109.8 0.4 . 1 . . . . 25 THR N . 15132 1 163 . 1 1 26 26 GLU H H 1 9.08 0.02 . 1 . . . . 26 GLU H . 15132 1 164 . 1 1 26 26 GLU HA H 1 3.83 0.02 . 1 . . . . 26 GLU HA . 15132 1 165 . 1 1 26 26 GLU HB2 H 1 2.00 0.02 . 1 . . . . 26 GLU HB2 . 15132 1 166 . 1 1 26 26 GLU HB3 H 1 2.00 0.02 . 1 . . . . 26 GLU HB3 . 15132 1 167 . 1 1 26 26 GLU C C 13 176.81 0.4 . 1 . . . . 26 GLU C . 15132 1 168 . 1 1 26 26 GLU CA C 13 59.9 0.4 . 1 . . . . 26 GLU CA . 15132 1 169 . 1 1 26 26 GLU CB C 13 29.47 0.4 . 1 . . . . 26 GLU CB . 15132 1 170 . 1 1 26 26 GLU N N 15 121.8 0.4 . 1 . . . . 26 GLU N . 15132 1 171 . 1 1 27 27 SER H H 1 8.321 0.02 . 1 . . . . 27 SER H . 15132 1 172 . 1 1 27 27 SER HA H 1 4.13 0.02 . 1 . . . . 27 SER HA . 15132 1 173 . 1 1 27 27 SER HB2 H 1 3.77 0.02 . 1 . . . . 27 SER HB2 . 15132 1 174 . 1 1 27 27 SER HB3 H 1 3.77 0.02 . 1 . . . . 27 SER HB3 . 15132 1 175 . 1 1 27 27 SER C C 13 175.61 0.4 . 1 . . . . 27 SER C . 15132 1 176 . 1 1 27 27 SER CA C 13 61.48 0.4 . 1 . . . . 27 SER CA . 15132 1 177 . 1 1 27 27 SER CB C 13 61.9 0.4 . 1 . . . . 27 SER CB . 15132 1 178 . 1 1 27 27 SER N N 15 115.5 0.4 . 1 . . . . 27 SER N . 15132 1 179 . 1 1 28 28 GLU H H 1 7.699 0.02 . 1 . . . . 28 GLU H . 15132 1 180 . 1 1 28 28 GLU HA H 1 3.93 0.02 . 1 . . . . 28 GLU HA . 15132 1 181 . 1 1 28 28 GLU HB2 H 1 2.01 0.02 . 2 . . . . 28 GLU HB2 . 15132 1 182 . 1 1 28 28 GLU HB3 H 1 2.09 0.02 . 2 . . . . 28 GLU HB3 . 15132 1 183 . 1 1 28 28 GLU C C 13 176.85 0.4 . 1 . . . . 28 GLU C . 15132 1 184 . 1 1 28 28 GLU CA C 13 58.77 0.4 . 1 . . . . 28 GLU CA . 15132 1 185 . 1 1 28 28 GLU CB C 13 30.6 0.4 . 1 . . . . 28 GLU CB . 15132 1 186 . 1 1 28 28 GLU N N 15 123.2 0.4 . 1 . . . . 28 GLU N . 15132 1 187 . 1 1 29 29 LEU H H 1 7.86 0.02 . 1 . . . . 29 LEU H . 15132 1 188 . 1 1 29 29 LEU HA H 1 3.75 0.02 . 1 . . . . 29 LEU HA . 15132 1 189 . 1 1 29 29 LEU HB2 H 1 1.21 0.02 . 2 . . . . 29 LEU HB2 . 15132 1 190 . 1 1 29 29 LEU HB3 H 1 2.07 0.02 . 2 . . . . 29 LEU HB3 . 15132 1 191 . 1 1 29 29 LEU C C 13 175.42 0.4 . 1 . . . . 29 LEU C . 15132 1 192 . 1 1 29 29 LEU CA C 13 58.04 0.4 . 1 . . . . 29 LEU CA . 15132 1 193 . 1 1 29 29 LEU CB C 13 41.16 0.4 . 1 . . . . 29 LEU CB . 15132 1 194 . 1 1 29 29 LEU N N 15 120 0.4 . 1 . . . . 29 LEU N . 15132 1 195 . 1 1 30 30 GLN H H 1 7.941 0.02 . 1 . . . . 30 GLN H . 15132 1 196 . 1 1 30 30 GLN HA H 1 3.65 0.02 . 1 . . . . 30 GLN HA . 15132 1 197 . 1 1 30 30 GLN HB2 H 1 2.01 0.02 . 1 . . . . 30 GLN HB2 . 15132 1 198 . 1 1 30 30 GLN HB3 H 1 2.01 0.02 . 1 . . . . 30 GLN HB3 . 15132 1 199 . 1 1 30 30 GLN C C 13 175.8 0.4 . 1 . . . . 30 GLN C . 15132 1 200 . 1 1 30 30 GLN CA C 13 59.06 0.4 . 1 . . . . 30 GLN CA . 15132 1 201 . 1 1 30 30 GLN CB C 13 28.33 0.4 . 1 . . . . 30 GLN CB . 15132 1 202 . 1 1 30 30 GLN N N 15 117 0.4 . 1 . . . . 30 GLN N . 15132 1 203 . 1 1 31 31 LYS H H 1 7.323 0.02 . 1 . . . . 31 LYS H . 15132 1 204 . 1 1 31 31 LYS HA H 1 3.91 0.02 . 1 . . . . 31 LYS HA . 15132 1 205 . 1 1 31 31 LYS HB2 H 1 1.79 0.02 . 2 . . . . 31 LYS HB2 . 15132 1 206 . 1 1 31 31 LYS HB3 H 1 1.85 0.02 . 2 . . . . 31 LYS HB3 . 15132 1 207 . 1 1 31 31 LYS C C 13 177.22 0.4 . 1 . . . . 31 LYS C . 15132 1 208 . 1 1 31 31 LYS CA C 13 59.88 0.4 . 1 . . . . 31 LYS CA . 15132 1 209 . 1 1 31 31 LYS CB C 13 32.51 0.4 . 1 . . . . 31 LYS CB . 15132 1 210 . 1 1 31 31 LYS N N 15 119.3 0.4 . 1 . . . . 31 LYS N . 15132 1 211 . 1 1 32 32 VAL H H 1 7.683 0.02 . 1 . . . . 32 VAL H . 15132 1 212 . 1 1 32 32 VAL HA H 1 3.38 0.02 . 1 . . . . 32 VAL HA . 15132 1 213 . 1 1 32 32 VAL HB H 1 1.74 0.02 . 1 . . . . 32 VAL HB . 15132 1 214 . 1 1 32 32 VAL C C 13 176.19 0.4 . 1 . . . . 32 VAL C . 15132 1 215 . 1 1 32 32 VAL CA C 13 65.87 0.4 . 1 . . . . 32 VAL CA . 15132 1 216 . 1 1 32 32 VAL CB C 13 31.49 0.4 . 1 . . . . 32 VAL CB . 15132 1 217 . 1 1 32 32 VAL N N 15 119.6 0.4 . 1 . . . . 32 VAL N . 15132 1 218 . 1 1 33 33 LEU H H 1 8.316 0.02 . 1 . . . . 33 LEU H . 15132 1 219 . 1 1 33 33 LEU HA H 1 3.71 0.02 . 1 . . . . 33 LEU HA . 15132 1 220 . 1 1 33 33 LEU HB2 H 1 1.04 0.02 . 2 . . . . 33 LEU HB2 . 15132 1 221 . 1 1 33 33 LEU HB3 H 1 1.72 0.02 . 2 . . . . 33 LEU HB3 . 15132 1 222 . 1 1 33 33 LEU C C 13 176.73 0.4 . 1 . . . . 33 LEU C . 15132 1 223 . 1 1 33 33 LEU CA C 13 57.87 0.4 . 1 . . . . 33 LEU CA . 15132 1 224 . 1 1 33 33 LEU CB C 13 40.86 0.4 . 1 . . . . 33 LEU CB . 15132 1 225 . 1 1 33 33 LEU N N 15 118.8 0.4 . 1 . . . . 33 LEU N . 15132 1 226 . 1 1 34 34 ASN H H 1 7.951 0.02 . 1 . . . . 34 ASN H . 15132 1 227 . 1 1 34 34 ASN HA H 1 4.27 0.02 . 1 . . . . 34 ASN HA . 15132 1 228 . 1 1 34 34 ASN HB2 H 1 2.75 0.02 . 1 . . . . 34 ASN HB2 . 15132 1 229 . 1 1 34 34 ASN HB3 H 1 2.75 0.02 . 1 . . . . 34 ASN HB3 . 15132 1 230 . 1 1 34 34 ASN CA C 13 56.21 0.4 . 1 . . . . 34 ASN CA . 15132 1 231 . 1 1 34 34 ASN CB C 13 37.98 0.4 . 1 . . . . 34 ASN CB . 15132 1 232 . 1 1 34 34 ASN N N 15 118.2 0.4 . 1 . . . . 34 ASN N . 15132 1 233 . 1 1 35 35 GLU H H 1 7.688 0.02 . 1 . . . . 35 GLU H . 15132 1 234 . 1 1 35 35 GLU HA H 1 4.01 0.02 . 1 . . . . 35 GLU HA . 15132 1 235 . 1 1 35 35 GLU HB2 H 1 1.9 0.02 . 2 . . . . 35 GLU HB2 . 15132 1 236 . 1 1 35 35 GLU HB3 H 1 2.01 0.02 . 2 . . . . 35 GLU HB3 . 15132 1 237 . 1 1 35 35 GLU C C 13 177.91 0.4 . 1 . . . . 35 GLU C . 15132 1 238 . 1 1 35 35 GLU CA C 13 59.16 0.4 . 1 . . . . 35 GLU CA . 15132 1 239 . 1 1 35 35 GLU CB C 13 29.13 0.4 . 1 . . . . 35 GLU CB . 15132 1 240 . 1 1 35 35 GLU N N 15 120.8 0.4 . 1 . . . . 35 GLU N . 15132 1 241 . 1 1 36 36 LEU H H 1 8.504 0.02 . 1 . . . . 36 LEU H . 15132 1 242 . 1 1 36 36 LEU HA H 1 4.03 0.02 . 1 . . . . 36 LEU HA . 15132 1 243 . 1 1 36 36 LEU HB2 H 1 1.31 0.02 . 2 . . . . 36 LEU HB2 . 15132 1 244 . 1 1 36 36 LEU HB3 H 1 1.63 0.02 . 2 . . . . 36 LEU HB3 . 15132 1 245 . 1 1 36 36 LEU CA C 13 57.39 0.4 . 1 . . . . 36 LEU CA . 15132 1 246 . 1 1 36 36 LEU CB C 13 41.99 0.4 . 1 . . . . 36 LEU CB . 15132 1 247 . 1 1 36 36 LEU N N 15 121.7 0.4 . 1 . . . . 36 LEU N . 15132 1 248 . 1 1 37 37 LYS H H 1 8.13 0.02 . 1 . . . . 37 LYS H . 15132 1 249 . 1 1 37 37 LYS HA H 1 3.58 0.02 . 1 . . . . 37 LYS HA . 15132 1 250 . 1 1 37 37 LYS HB2 H 1 1.78 0.02 . 2 . . . . 37 LYS HB2 . 15132 1 251 . 1 1 37 37 LYS HB3 H 1 1.88 0.02 . 2 . . . . 37 LYS HB3 . 15132 1 252 . 1 1 37 37 LYS C C 13 175.66 0.4 . 1 . . . . 37 LYS C . 15132 1 253 . 1 1 37 37 LYS CA C 13 60.84 0.4 . 1 . . . . 37 LYS CA . 15132 1 254 . 1 1 37 37 LYS CB C 13 32.2 0.4 . 1 . . . . 37 LYS CB . 15132 1 255 . 1 1 37 37 LYS N N 15 120.2 0.4 . 1 . . . . 37 LYS N . 15132 1 256 . 1 1 38 38 ASP H H 1 7.135 0.02 . 1 . . . . 38 ASP H . 15132 1 257 . 1 1 38 38 ASP HA H 1 4.25 0.02 . 1 . . . . 38 ASP HA . 15132 1 258 . 1 1 38 38 ASP HB2 H 1 2.62 0.02 . 1 . . . . 38 ASP HB2 . 15132 1 259 . 1 1 38 38 ASP HB3 H 1 2.62 0.02 . 1 . . . . 38 ASP HB3 . 15132 1 260 . 1 1 38 38 ASP C C 13 176.33 0.4 . 1 . . . . 38 ASP C . 15132 1 261 . 1 1 38 38 ASP CA C 13 57.37 0.4 . 1 . . . . 38 ASP CA . 15132 1 262 . 1 1 38 38 ASP CB C 13 40.17 0.4 . 1 . . . . 38 ASP CB . 15132 1 263 . 1 1 38 38 ASP N N 15 117.2 0.4 . 1 . . . . 38 ASP N . 15132 1 264 . 1 1 39 39 TYR H H 1 7.769 0.02 . 1 . . . . 39 TYR H . 15132 1 265 . 1 1 39 39 TYR HA H 1 4.19 0.02 . 1 . . . . 39 TYR HA . 15132 1 266 . 1 1 39 39 TYR HB2 H 1 2.99 0.02 . 2 . . . . 39 TYR HB2 . 15132 1 267 . 1 1 39 39 TYR HB3 H 1 3.12 0.02 . 2 . . . . 39 TYR HB3 . 15132 1 268 . 1 1 39 39 TYR HD1 H 1 6.85 0.02 . 3 . . . . 39 TYR HD1 . 15132 1 269 . 1 1 39 39 TYR C C 13 175.76 0.4 . 1 . . . . 39 TYR C . 15132 1 270 . 1 1 39 39 TYR CA C 13 61.46 0.4 . 1 . . . . 39 TYR CA . 15132 1 271 . 1 1 39 39 TYR CB C 13 39 0.4 . 1 . . . . 39 TYR CB . 15132 1 272 . 1 1 39 39 TYR N N 15 121.5 0.4 . 1 . . . . 39 TYR N . 15132 1 273 . 1 1 40 40 ILE H H 1 8.922 0.02 . 1 . . . . 40 ILE H . 15132 1 274 . 1 1 40 40 ILE HA H 1 3.16 0.02 . 1 . . . . 40 ILE HA . 15132 1 275 . 1 1 40 40 ILE HB H 1 1.74 0.02 . 1 . . . . 40 ILE HB . 15132 1 276 . 1 1 40 40 ILE C C 13 177.36 0.4 . 1 . . . . 40 ILE C . 15132 1 277 . 1 1 40 40 ILE CA C 13 65.72 0.4 . 1 . . . . 40 ILE CA . 15132 1 278 . 1 1 40 40 ILE CB C 13 37.83 0.4 . 1 . . . . 40 ILE CB . 15132 1 279 . 1 1 40 40 ILE N N 15 119.3 0.4 . 1 . . . . 40 ILE N . 15132 1 280 . 1 1 41 41 GLU H H 1 8.244 0.02 . 1 . . . . 41 GLU H . 15132 1 281 . 1 1 41 41 GLU HA H 1 3.9 0.02 . 1 . . . . 41 GLU HA . 15132 1 282 . 1 1 41 41 GLU HB2 H 1 2.03 0.02 . 2 . . . . 41 GLU HB2 . 15132 1 283 . 1 1 41 41 GLU HB3 H 1 2.1 0.02 . 2 . . . . 41 GLU HB3 . 15132 1 284 . 1 1 41 41 GLU C C 13 176.58 0.4 . 1 . . . . 41 GLU C . 15132 1 285 . 1 1 41 41 GLU CA C 13 59.69 0.4 . 1 . . . . 41 GLU CA . 15132 1 286 . 1 1 41 41 GLU CB C 13 29.52 0.4 . 1 . . . . 41 GLU CB . 15132 1 287 . 1 1 41 41 GLU N N 15 120.9 0.4 . 1 . . . . 41 GLU N . 15132 1 288 . 1 1 42 42 GLU H H 1 7.752 0.02 . 1 . . . . 42 GLU H . 15132 1 289 . 1 1 42 42 GLU HA H 1 3.87 0.02 . 1 . . . . 42 GLU HA . 15132 1 290 . 1 1 42 42 GLU HB2 H 1 1.98 0.02 . 1 . . . . 42 GLU HB2 . 15132 1 291 . 1 1 42 42 GLU HB3 H 1 1.98 0.02 . 1 . . . . 42 GLU HB3 . 15132 1 292 . 1 1 42 42 GLU C C 13 176.47 0.4 . 1 . . . . 42 GLU C . 15132 1 293 . 1 1 42 42 GLU CA C 13 58.67 0.4 . 1 . . . . 42 GLU CA . 15132 1 294 . 1 1 42 42 GLU CB C 13 29.4 0.4 . 1 . . . . 42 GLU CB . 15132 1 295 . 1 1 42 42 GLU N N 15 118.4 0.4 . 1 . . . . 42 GLU N . 15132 1 296 . 1 1 43 43 GLN H H 1 7.834 0.02 . 1 . . . . 43 GLN H . 15132 1 297 . 1 1 43 43 GLN HA H 1 3.8 0.02 . 1 . . . . 43 GLN HA . 15132 1 298 . 1 1 43 43 GLN HB2 H 1 1.56 0.02 . 2 . . . . 43 GLN HB2 . 15132 1 299 . 1 1 43 43 GLN HB3 H 1 1.89 0.02 . 2 . . . . 43 GLN HB3 . 15132 1 300 . 1 1 43 43 GLN HE21 H 1 6.61 0.02 . 2 . . . . 43 GLN HE21 . 15132 1 301 . 1 1 43 43 GLN HE22 H 1 6.77 0.02 . 2 . . . . 43 GLN HE22 . 15132 1 302 . 1 1 43 43 GLN C C 13 175.76 0.4 . 1 . . . . 43 GLN C . 15132 1 303 . 1 1 43 43 GLN CA C 13 56.27 0.4 . 1 . . . . 43 GLN CA . 15132 1 304 . 1 1 43 43 GLN CB C 13 29.02 0.4 . 1 . . . . 43 GLN CB . 15132 1 305 . 1 1 43 43 GLN N N 15 114.8 0.4 . 1 . . . . 43 GLN N . 15132 1 306 . 1 1 43 43 GLN NE2 N 15 114.3 0.4 . 1 . . . . 43 GLN NE2 . 15132 1 307 . 1 1 44 44 GLY H H 1 7.684 0.02 . 1 . . . . 44 GLY H . 15132 1 308 . 1 1 44 44 GLY HA2 H 1 3.58 0.02 . 2 . . . . 44 GLY HA2 . 15132 1 309 . 1 1 44 44 GLY HA3 H 1 3.78 0.02 . 2 . . . . 44 GLY HA3 . 15132 1 310 . 1 1 44 44 GLY C C 13 172.4 0.4 . 1 . . . . 44 GLY C . 15132 1 311 . 1 1 44 44 GLY CA C 13 46.67 0.4 . 1 . . . . 44 GLY CA . 15132 1 312 . 1 1 44 44 GLY N N 15 107.5 0.4 . 1 . . . . 44 GLY N . 15132 1 313 . 1 1 45 45 ALA H H 1 7.189 0.02 . 1 . . . . 45 ALA H . 15132 1 314 . 1 1 45 45 ALA HA H 1 4.14 0.02 . 1 . . . . 45 ALA HA . 15132 1 315 . 1 1 45 45 ALA HB1 H 1 1.18 0.02 . 1 . . . . 45 ALA HB . 15132 1 316 . 1 1 45 45 ALA HB2 H 1 1.18 0.02 . 1 . . . . 45 ALA HB . 15132 1 317 . 1 1 45 45 ALA HB3 H 1 1.18 0.02 . 1 . . . . 45 ALA HB . 15132 1 318 . 1 1 45 45 ALA C C 13 176.25 0.4 . 1 . . . . 45 ALA C . 15132 1 319 . 1 1 45 45 ALA CA C 13 52.26 0.4 . 1 . . . . 45 ALA CA . 15132 1 320 . 1 1 45 45 ALA CB C 13 21.17 0.4 . 1 . . . . 45 ALA CB . 15132 1 321 . 1 1 45 45 ALA N N 15 119 0.4 . 1 . . . . 45 ALA N . 15132 1 322 . 1 1 46 46 LYS H H 1 9.002 0.02 . 1 . . . . 46 LYS H . 15132 1 323 . 1 1 46 46 LYS HA H 1 4.14 0.02 . 1 . . . . 46 LYS HA . 15132 1 324 . 1 1 46 46 LYS HB2 H 1 1.91 0.02 . 1 . . . . 46 LYS HB2 . 15132 1 325 . 1 1 46 46 LYS HB3 H 1 1.91 0.02 . 1 . . . . 46 LYS HB3 . 15132 1 326 . 1 1 46 46 LYS C C 13 173.83 0.4 . 1 . . . . 46 LYS C . 15132 1 327 . 1 1 46 46 LYS CA C 13 58.6 0.4 . 1 . . . . 46 LYS CA . 15132 1 328 . 1 1 46 46 LYS CB C 13 33.22 0.4 . 1 . . . . 46 LYS CB . 15132 1 329 . 1 1 46 46 LYS N N 15 122.4 0.4 . 1 . . . . 46 LYS N . 15132 1 330 . 1 1 47 47 ARG H H 1 7.709 0.02 . 1 . . . . 47 ARG H . 15132 1 331 . 1 1 47 47 ARG HA H 1 5.14 0.02 . 1 . . . . 47 ARG HA . 15132 1 332 . 1 1 47 47 ARG HB2 H 1 1.71 0.02 . 2 . . . . 47 ARG HB2 . 15132 1 333 . 1 1 47 47 ARG HB3 H 1 1.8 0.02 . 2 . . . . 47 ARG HB3 . 15132 1 334 . 1 1 47 47 ARG C C 13 172.43 0.4 . 1 . . . . 47 ARG C . 15132 1 335 . 1 1 47 47 ARG CA C 13 55.71 0.4 . 1 . . . . 47 ARG CA . 15132 1 336 . 1 1 47 47 ARG CB C 13 33.5 0.4 . 1 . . . . 47 ARG CB . 15132 1 337 . 1 1 47 47 ARG N N 15 116.9 0.4 . 1 . . . . 47 ARG N . 15132 1 338 . 1 1 48 48 VAL H H 1 8.209 0.02 . 1 . . . . 48 VAL H . 15132 1 339 . 1 1 48 48 VAL HA H 1 4.71 0.02 . 1 . . . . 48 VAL HA . 15132 1 340 . 1 1 48 48 VAL HB H 1 2.125 0.02 . 1 . . . . 48 VAL HB . 15132 1 341 . 1 1 48 48 VAL C C 13 170.91 0.4 . 1 . . . . 48 VAL C . 15132 1 342 . 1 1 48 48 VAL CA C 13 60.73 0.4 . 1 . . . . 48 VAL CA . 15132 1 343 . 1 1 48 48 VAL CB C 13 36.34 0.4 . 1 . . . . 48 VAL CB . 15132 1 344 . 1 1 48 48 VAL N N 15 123.7 0.4 . 1 . . . . 48 VAL N . 15132 1 345 . 1 1 49 49 ARG H H 1 8.805 0.02 . 1 . . . . 49 ARG H . 15132 1 346 . 1 1 49 49 ARG HA H 1 5.27 0.02 . 1 . . . . 49 ARG HA . 15132 1 347 . 1 1 49 49 ARG HB2 H 1 1.71 0.02 . 1 . . . . 49 ARG HB2 . 15132 1 348 . 1 1 49 49 ARG HB3 H 1 1.71 0.02 . 1 . . . . 49 ARG HB3 . 15132 1 349 . 1 1 49 49 ARG CA C 13 54.77 0.4 . 1 . . . . 49 ARG CA . 15132 1 350 . 1 1 49 49 ARG CB C 13 34.4 0.4 . 1 . . . . 49 ARG CB . 15132 1 351 . 1 1 49 49 ARG N N 15 126.5 0.4 . 1 . . . . 49 ARG N . 15132 1 352 . 1 1 50 50 ILE H H 1 9.189 0.02 . 1 . . . . 50 ILE H . 15132 1 353 . 1 1 50 50 ILE HA H 1 5.1 0.02 . 1 . . . . 50 ILE HA . 15132 1 354 . 1 1 50 50 ILE HB H 1 1.65 0.02 . 1 . . . . 50 ILE HB . 15132 1 355 . 1 1 50 50 ILE C C 13 171.78 0.4 . 1 . . . . 50 ILE C . 15132 1 356 . 1 1 50 50 ILE CA C 13 60.55 0.4 . 1 . . . . 50 ILE CA . 15132 1 357 . 1 1 50 50 ILE CB C 13 41.32 0.4 . 1 . . . . 50 ILE CB . 15132 1 358 . 1 1 50 50 ILE N N 15 125.2 0.4 . 1 . . . . 50 ILE N . 15132 1 359 . 1 1 51 51 SER H H 1 9.236 0.02 . 1 . . . . 51 SER H . 15132 1 360 . 1 1 51 51 SER HA H 1 5.89 0.02 . 1 . . . . 51 SER HA . 15132 1 361 . 1 1 51 51 SER HB2 H 1 3.51 0.02 . 2 . . . . 51 SER HB2 . 15132 1 362 . 1 1 51 51 SER HB3 H 1 3.6 0.02 . 2 . . . . 51 SER HB3 . 15132 1 363 . 1 1 51 51 SER C C 13 171.49 0.4 . 1 . . . . 51 SER C . 15132 1 364 . 1 1 51 51 SER CA C 13 56.2 0.4 . 1 . . . . 51 SER CA . 15132 1 365 . 1 1 51 51 SER CB C 13 66.2 0.4 . 1 . . . . 51 SER CB . 15132 1 366 . 1 1 51 51 SER N N 15 122.6 0.4 . 1 . . . . 51 SER N . 15132 1 367 . 1 1 52 52 ILE H H 1 9.054 0.02 . 1 . . . . 52 ILE H . 15132 1 368 . 1 1 52 52 ILE HA H 1 5.08 0.02 . 1 . . . . 52 ILE HA . 15132 1 369 . 1 1 52 52 ILE HB H 1 1.18 0.02 . 1 . . . . 52 ILE HB . 15132 1 370 . 1 1 52 52 ILE C C 13 173.07 0.4 . 1 . . . . 52 ILE C . 15132 1 371 . 1 1 52 52 ILE CA C 13 59.81 0.4 . 1 . . . . 52 ILE CA . 15132 1 372 . 1 1 52 52 ILE CB C 13 42.59 0.4 . 1 . . . . 52 ILE CB . 15132 1 373 . 1 1 52 52 ILE N N 15 122.8 0.4 . 1 . . . . 52 ILE N . 15132 1 374 . 1 1 53 53 THR H H 1 7.896 0.02 . 1 . . . . 53 THR H . 15132 1 375 . 1 1 53 53 THR HA H 1 4.1 0.02 . 1 . . . . 53 THR HA . 15132 1 376 . 1 1 53 53 THR HB H 1 3.88 0.02 . 1 . . . . 53 THR HB . 15132 1 377 . 1 1 53 53 THR C C 13 171.28 0.4 . 1 . . . . 53 THR C . 15132 1 378 . 1 1 53 53 THR CA C 13 65.22 0.4 . 1 . . . . 53 THR CA . 15132 1 379 . 1 1 53 53 THR CB C 13 70.56 0.4 . 1 . . . . 53 THR CB . 15132 1 380 . 1 1 53 53 THR N N 15 122.8 0.4 . 1 . . . . 53 THR N . 15132 1 381 . 1 1 54 54 ALA H H 1 8.665 0.02 . 1 . . . . 54 ALA H . 15132 1 382 . 1 1 54 54 ALA HA H 1 4.6 0.02 . 1 . . . . 54 ALA HA . 15132 1 383 . 1 1 54 54 ALA HB1 H 1 1.21 0.02 . 1 . . . . 54 ALA HB . 15132 1 384 . 1 1 54 54 ALA HB2 H 1 1.21 0.02 . 1 . . . . 54 ALA HB . 15132 1 385 . 1 1 54 54 ALA HB3 H 1 1.21 0.02 . 1 . . . . 54 ALA HB . 15132 1 386 . 1 1 54 54 ALA C C 13 173.71 0.4 . 1 . . . . 54 ALA C . 15132 1 387 . 1 1 54 54 ALA CA C 13 52.15 0.4 . 1 . . . . 54 ALA CA . 15132 1 388 . 1 1 54 54 ALA CB C 13 19.68 0.4 . 1 . . . . 54 ALA CB . 15132 1 389 . 1 1 54 54 ALA N N 15 127 0.4 . 1 . . . . 54 ALA N . 15132 1 390 . 1 1 55 55 ARG H H 1 9.133 0.02 . 1 . . . . 55 ARG H . 15132 1 391 . 1 1 55 55 ARG HA H 1 4.85 0.02 . 1 . . . . 55 ARG HA . 15132 1 392 . 1 1 55 55 ARG HB2 H 1 1.75 0.02 . 2 . . . . 55 ARG HB2 . 15132 1 393 . 1 1 55 55 ARG HB3 H 1 2.14 0.02 . 2 . . . . 55 ARG HB3 . 15132 1 394 . 1 1 55 55 ARG C C 13 174.37 0.4 . 1 . . . . 55 ARG C . 15132 1 395 . 1 1 55 55 ARG CA C 13 57.13 0.4 . 1 . . . . 55 ARG CA . 15132 1 396 . 1 1 55 55 ARG CB C 13 31.09 0.4 . 1 . . . . 55 ARG CB . 15132 1 397 . 1 1 55 55 ARG N N 15 122.5 0.4 . 1 . . . . 55 ARG N . 15132 1 398 . 1 1 56 56 THR H H 1 7.211 0.02 . 1 . . . . 56 THR H . 15132 1 399 . 1 1 56 56 THR HA H 1 4.76 0.02 . 1 . . . . 56 THR HA . 15132 1 400 . 1 1 56 56 THR HB H 1 4.42 0.02 . 1 . . . . 56 THR HB . 15132 1 401 . 1 1 56 56 THR C C 13 171.79 0.4 . 1 . . . . 56 THR C . 15132 1 402 . 1 1 56 56 THR CA C 13 58.67 0.4 . 1 . . . . 56 THR CA . 15132 1 403 . 1 1 56 56 THR CB C 13 72.9 0.4 . 1 . . . . 56 THR CB . 15132 1 404 . 1 1 56 56 THR N N 15 106.1 0.4 . 1 . . . . 56 THR N . 15132 1 405 . 1 1 57 57 GLU H H 1 9.053 0.02 . 1 . . . . 57 GLU H . 15132 1 406 . 1 1 57 57 GLU HA H 1 4.44 0.02 . 1 . . . . 57 GLU HA . 15132 1 407 . 1 1 57 57 GLU HB2 H 1 1.79 0.02 . 1 . . . . 57 GLU HB2 . 15132 1 408 . 1 1 57 57 GLU HB3 H 1 1.79 0.02 . 1 . . . . 57 GLU HB3 . 15132 1 409 . 1 1 57 57 GLU C C 13 176.14 0.4 . 1 . . . . 57 GLU C . 15132 1 410 . 1 1 57 57 GLU CA C 13 59.25 0.4 . 1 . . . . 57 GLU CA . 15132 1 411 . 1 1 57 57 GLU CB C 13 29.2 0.4 . 1 . . . . 57 GLU CB . 15132 1 412 . 1 1 57 57 GLU N N 15 124 0.4 . 1 . . . . 57 GLU N . 15132 1 413 . 1 1 58 58 LYS H H 1 7.887 0.02 . 1 . . . . 58 LYS H . 15132 1 414 . 1 1 58 58 LYS HA H 1 3.82 0.02 . 1 . . . . 58 LYS HA . 15132 1 415 . 1 1 58 58 LYS HB2 H 1 1.51 0.02 . 2 . . . . 58 LYS HB2 . 15132 1 416 . 1 1 58 58 LYS HB3 H 1 1.59 0.02 . 2 . . . . 58 LYS HB3 . 15132 1 417 . 1 1 58 58 LYS C C 13 177.9 0.4 . 1 . . . . 58 LYS C . 15132 1 418 . 1 1 58 58 LYS CA C 13 58.7 0.4 . 1 . . . . 58 LYS CA . 15132 1 419 . 1 1 58 58 LYS CB C 13 32.1 0.4 . 1 . . . . 58 LYS CB . 15132 1 420 . 1 1 58 58 LYS N N 15 117.6 0.4 . 1 . . . . 58 LYS N . 15132 1 421 . 1 1 59 59 GLU H H 1 7.341 0.02 . 1 . . . . 59 GLU H . 15132 1 422 . 1 1 59 59 GLU HA H 1 3.45 0.02 . 1 . . . . 59 GLU HA . 15132 1 423 . 1 1 59 59 GLU HB2 H 1 1.75 0.02 . 1 . . . . 59 GLU HB2 . 15132 1 424 . 1 1 59 59 GLU HB3 H 1 1.75 0.02 . 1 . . . . 59 GLU HB3 . 15132 1 425 . 1 1 59 59 GLU CA C 13 59.13 0.4 . 1 . . . . 59 GLU CA . 15132 1 426 . 1 1 59 59 GLU CB C 13 30.7 0.4 . 1 . . . . 59 GLU CB . 15132 1 427 . 1 1 59 59 GLU N N 15 119.8 0.4 . 1 . . . . 59 GLU N . 15132 1 428 . 1 1 60 60 ALA H H 1 7.699 0.02 . 1 . . . . 60 ALA H . 15132 1 429 . 1 1 60 60 ALA HA H 1 3.32 0.02 . 1 . . . . 60 ALA HA . 15132 1 430 . 1 1 60 60 ALA HB1 H 1 1.21 0.02 . 1 . . . . 60 ALA HB . 15132 1 431 . 1 1 60 60 ALA HB2 H 1 1.21 0.02 . 1 . . . . 60 ALA HB . 15132 1 432 . 1 1 60 60 ALA HB3 H 1 1.21 0.02 . 1 . . . . 60 ALA HB . 15132 1 433 . 1 1 60 60 ALA C C 13 177.24 0.4 . 1 . . . . 60 ALA C . 15132 1 434 . 1 1 60 60 ALA CA C 13 55.3 0.4 . 1 . . . . 60 ALA CA . 15132 1 435 . 1 1 60 60 ALA CB C 13 15.81 0.4 . 1 . . . . 60 ALA CB . 15132 1 436 . 1 1 60 60 ALA N N 15 121 0.4 . 1 . . . . 60 ALA N . 15132 1 437 . 1 1 61 61 GLU H H 1 7.749 0.02 . 1 . . . . 61 GLU H . 15132 1 438 . 1 1 61 61 GLU HA H 1 3.68 0.02 . 1 . . . . 61 GLU HA . 15132 1 439 . 1 1 61 61 GLU HB2 H 1 1.81 0.02 . 1 . . . . 61 GLU HB2 . 15132 1 440 . 1 1 61 61 GLU HB3 H 1 1.81 0.02 . 1 . . . . 61 GLU HB3 . 15132 1 441 . 1 1 61 61 GLU C C 13 177.12 0.4 . 1 . . . . 61 GLU C . 15132 1 442 . 1 1 61 61 GLU CA C 13 59.17 0.4 . 1 . . . . 61 GLU CA . 15132 1 443 . 1 1 61 61 GLU CB C 13 29.81 0.4 . 1 . . . . 61 GLU CB . 15132 1 444 . 1 1 61 61 GLU N N 15 116.5 0.4 . 1 . . . . 61 GLU N . 15132 1 445 . 1 1 62 62 LYS H H 1 7.395 0.02 . 1 . . . . 62 LYS H . 15132 1 446 . 1 1 62 62 LYS HA H 1 3.81 0.02 . 1 . . . . 62 LYS HA . 15132 1 447 . 1 1 62 62 LYS HB2 H 1 1.4 0.02 . 2 . . . . 62 LYS HB2 . 15132 1 448 . 1 1 62 62 LYS HB3 H 1 1.59 0.02 . 2 . . . . 62 LYS HB3 . 15132 1 449 . 1 1 62 62 LYS C C 13 177.56 0.4 . 1 . . . . 62 LYS C . 15132 1 450 . 1 1 62 62 LYS CA C 13 59.1 0.4 . 1 . . . . 62 LYS CA . 15132 1 451 . 1 1 62 62 LYS CB C 13 32.25 0.4 . 1 . . . . 62 LYS CB . 15132 1 452 . 1 1 62 62 LYS N N 15 120.6 0.4 . 1 . . . . 62 LYS N . 15132 1 453 . 1 1 63 63 PHE H H 1 8.302 0.02 . 1 . . . . 63 PHE H . 15132 1 454 . 1 1 63 63 PHE HA H 1 4.46 0.02 . 1 . . . . 63 PHE HA . 15132 1 455 . 1 1 63 63 PHE HB2 H 1 2.8 0.02 . 2 . . . . 63 PHE HB2 . 15132 1 456 . 1 1 63 63 PHE HB3 H 1 2.87 0.02 . 2 . . . . 63 PHE HB3 . 15132 1 457 . 1 1 63 63 PHE HD1 H 1 6.89 0.02 . 3 . . . . 63 PHE HD1 . 15132 1 458 . 1 1 63 63 PHE C C 13 176.25 0.4 . 1 . . . . 63 PHE C . 15132 1 459 . 1 1 63 63 PHE CA C 13 59 0.4 . 1 . . . . 63 PHE CA . 15132 1 460 . 1 1 63 63 PHE CB C 13 37.76 0.4 . 1 . . . . 63 PHE CB . 15132 1 461 . 1 1 63 63 PHE N N 15 117.4 0.4 . 1 . . . . 63 PHE N . 15132 1 462 . 1 1 64 64 ALA H H 1 8.628 0.02 . 1 . . . . 64 ALA H . 15132 1 463 . 1 1 64 64 ALA HA H 1 3.8 0.02 . 1 . . . . 64 ALA HA . 15132 1 464 . 1 1 64 64 ALA HB1 H 1 1.3 0.02 . 1 . . . . 64 ALA HB . 15132 1 465 . 1 1 64 64 ALA HB2 H 1 1.3 0.02 . 1 . . . . 64 ALA HB . 15132 1 466 . 1 1 64 64 ALA HB3 H 1 1.3 0.02 . 1 . . . . 64 ALA HB . 15132 1 467 . 1 1 64 64 ALA C C 13 176.76 0.4 . 1 . . . . 64 ALA C . 15132 1 468 . 1 1 64 64 ALA CA C 13 55.96 0.4 . 1 . . . . 64 ALA CA . 15132 1 469 . 1 1 64 64 ALA CB C 13 18.41 0.4 . 1 . . . . 64 ALA CB . 15132 1 470 . 1 1 64 64 ALA N N 15 121.6 0.4 . 1 . . . . 64 ALA N . 15132 1 471 . 1 1 65 65 ALA H H 1 7.409 0.02 . 1 . . . . 65 ALA H . 15132 1 472 . 1 1 65 65 ALA HA H 1 3.91 0.02 . 1 . . . . 65 ALA HA . 15132 1 473 . 1 1 65 65 ALA HB1 H 1 1.38 0.02 . 1 . . . . 65 ALA HB . 15132 1 474 . 1 1 65 65 ALA HB2 H 1 1.38 0.02 . 1 . . . . 65 ALA HB . 15132 1 475 . 1 1 65 65 ALA HB3 H 1 1.38 0.02 . 1 . . . . 65 ALA HB . 15132 1 476 . 1 1 65 65 ALA C C 13 179.2 0.4 . 1 . . . . 65 ALA C . 15132 1 477 . 1 1 65 65 ALA CA C 13 55.57 0.4 . 1 . . . . 65 ALA CA . 15132 1 478 . 1 1 65 65 ALA CB C 13 18 0.4 . 1 . . . . 65 ALA CB . 15132 1 479 . 1 1 65 65 ALA N N 15 117.3 0.4 . 1 . . . . 65 ALA N . 15132 1 480 . 1 1 66 66 ILE H H 1 7.207 0.02 . 1 . . . . 66 ILE H . 15132 1 481 . 1 1 66 66 ILE HA H 1 3.6 0.02 . 1 . . . . 66 ILE HA . 15132 1 482 . 1 1 66 66 ILE HB H 1 1.86 0.02 . 1 . . . . 66 ILE HB . 15132 1 483 . 1 1 66 66 ILE C C 13 176.36 0.4 . 1 . . . . 66 ILE C . 15132 1 484 . 1 1 66 66 ILE CA C 13 65.09 0.4 . 1 . . . . 66 ILE CA . 15132 1 485 . 1 1 66 66 ILE CB C 13 39.03 0.4 . 1 . . . . 66 ILE CB . 15132 1 486 . 1 1 66 66 ILE N N 15 117.6 0.4 . 1 . . . . 66 ILE N . 15132 1 487 . 1 1 67 67 LEU H H 1 7.848 0.02 . 1 . . . . 67 LEU H . 15132 1 488 . 1 1 67 67 LEU HA H 1 3.84 0.02 . 1 . . . . 67 LEU HA . 15132 1 489 . 1 1 67 67 LEU HB2 H 1 1.99 0.02 . 1 . . . . 67 LEU HB2 . 15132 1 490 . 1 1 67 67 LEU HB3 H 1 1.99 0.02 . 1 . . . . 67 LEU HB3 . 15132 1 491 . 1 1 67 67 LEU CA C 13 57.6 0.4 . 1 . . . . 67 LEU CA . 15132 1 492 . 1 1 67 67 LEU CB C 13 42.12 0.4 . 1 . . . . 67 LEU CB . 15132 1 493 . 1 1 67 67 LEU N N 15 119.8 0.4 . 1 . . . . 67 LEU N . 15132 1 494 . 1 1 68 68 ILE H H 1 9.037 0.02 . 1 . . . . 68 ILE H . 15132 1 495 . 1 1 68 68 ILE HA H 1 3.48 0.02 . 1 . . . . 68 ILE HA . 15132 1 496 . 1 1 68 68 ILE HB H 1 1.7 0.02 . 1 . . . . 68 ILE HB . 15132 1 497 . 1 1 68 68 ILE C C 13 175.72 0.4 . 1 . . . . 68 ILE C . 15132 1 498 . 1 1 68 68 ILE CA C 13 66.73 0.4 . 1 . . . . 68 ILE CA . 15132 1 499 . 1 1 68 68 ILE CB C 13 38.3 0.4 . 1 . . . . 68 ILE CB . 15132 1 500 . 1 1 68 68 ILE N N 15 120.2 0.4 . 1 . . . . 68 ILE N . 15132 1 501 . 1 1 69 69 LYS H H 1 7.069 0.02 . 1 . . . . 69 LYS H . 15132 1 502 . 1 1 69 69 LYS HA H 1 4.01 0.02 . 1 . . . . 69 LYS HA . 15132 1 503 . 1 1 69 69 LYS HB2 H 1 1.76 0.02 . 2 . . . . 69 LYS HB2 . 15132 1 504 . 1 1 69 69 LYS HB3 H 1 1.9 0.02 . 2 . . . . 69 LYS HB3 . 15132 1 505 . 1 1 69 69 LYS C C 13 176.77 0.4 . 1 . . . . 69 LYS C . 15132 1 506 . 1 1 69 69 LYS CA C 13 59.76 0.4 . 1 . . . . 69 LYS CA . 15132 1 507 . 1 1 69 69 LYS CB C 13 32.52 0.4 . 1 . . . . 69 LYS CB . 15132 1 508 . 1 1 69 69 LYS N N 15 118.5 0.4 . 1 . . . . 69 LYS N . 15132 1 509 . 1 1 70 70 VAL H H 1 7.383 0.02 . 1 . . . . 70 VAL H . 15132 1 510 . 1 1 70 70 VAL HA H 1 3.53 0.02 . 1 . . . . 70 VAL HA . 15132 1 511 . 1 1 70 70 VAL HB H 1 2.04 0.02 . 1 . . . . 70 VAL HB . 15132 1 512 . 1 1 70 70 VAL C C 13 175.7 0.4 . 1 . . . . 70 VAL C . 15132 1 513 . 1 1 70 70 VAL CA C 13 66.62 0.4 . 1 . . . . 70 VAL CA . 15132 1 514 . 1 1 70 70 VAL CB C 13 31.6 0.4 . 1 . . . . 70 VAL CB . 15132 1 515 . 1 1 70 70 VAL N N 15 119.7 0.4 . 1 . . . . 70 VAL N . 15132 1 516 . 1 1 71 71 PHE H H 1 8.193 0.02 . 1 . . . . 71 PHE H . 15132 1 517 . 1 1 71 71 PHE HA H 1 3.97 0.02 . 1 . . . . 71 PHE HA . 15132 1 518 . 1 1 71 71 PHE HB2 H 1 2.96 0.02 . 1 . . . . 71 PHE HB2 . 15132 1 519 . 1 1 71 71 PHE HB3 H 1 2.96 0.02 . 1 . . . . 71 PHE HB3 . 15132 1 520 . 1 1 71 71 PHE HD1 H 1 6.84 0.02 . 3 . . . . 71 PHE HD1 . 15132 1 521 . 1 1 71 71 PHE C C 13 176.67 0.4 . 1 . . . . 71 PHE C . 15132 1 522 . 1 1 71 71 PHE CA C 13 62.08 0.4 . 1 . . . . 71 PHE CA . 15132 1 523 . 1 1 71 71 PHE CB C 13 38.47 0.4 . 1 . . . . 71 PHE CB . 15132 1 524 . 1 1 71 71 PHE N N 15 116.8 0.4 . 1 . . . . 71 PHE N . 15132 1 525 . 1 1 72 72 ALA H H 1 8.694 0.02 . 1 . . . . 72 ALA H . 15132 1 526 . 1 1 72 72 ALA HA H 1 4.17 0.02 . 1 . . . . 72 ALA HA . 15132 1 527 . 1 1 72 72 ALA HB1 H 1 1.455 0.02 . 1 . . . . 72 ALA HB . 15132 1 528 . 1 1 72 72 ALA HB2 H 1 1.455 0.02 . 1 . . . . 72 ALA HB . 15132 1 529 . 1 1 72 72 ALA HB3 H 1 1.455 0.02 . 1 . . . . 72 ALA HB . 15132 1 530 . 1 1 72 72 ALA CA C 13 55.36 0.4 . 1 . . . . 72 ALA CA . 15132 1 531 . 1 1 72 72 ALA CB C 13 18.15 0.4 . 1 . . . . 72 ALA CB . 15132 1 532 . 1 1 72 72 ALA N N 15 122.4 0.4 . 1 . . . . 72 ALA N . 15132 1 533 . 1 1 73 73 GLU H H 1 8.192 0.02 . 1 . . . . 73 GLU H . 15132 1 534 . 1 1 73 73 GLU HA H 1 3.92 0.02 . 1 . . . . 73 GLU HA . 15132 1 535 . 1 1 73 73 GLU HB2 H 1 1.9 0.02 . 2 . . . . 73 GLU HB2 . 15132 1 536 . 1 1 73 73 GLU HB3 H 1 2.19 0.02 . 2 . . . . 73 GLU HB3 . 15132 1 537 . 1 1 73 73 GLU C C 13 176.75 0.4 . 1 . . . . 73 GLU C . 15132 1 538 . 1 1 73 73 GLU CA C 13 59.14 0.4 . 1 . . . . 73 GLU CA . 15132 1 539 . 1 1 73 73 GLU CB C 13 29.3 0.4 . 1 . . . . 73 GLU CB . 15132 1 540 . 1 1 73 73 GLU N N 15 120 0.4 . 1 . . . . 73 GLU N . 15132 1 541 . 1 1 74 74 LEU H H 1 7.534 0.02 . 1 . . . . 74 LEU H . 15132 1 542 . 1 1 74 74 LEU HA H 1 4.21 0.02 . 1 . . . . 74 LEU HA . 15132 1 543 . 1 1 74 74 LEU HB2 H 1 1.68 0.02 . 2 . . . . 74 LEU HB2 . 15132 1 544 . 1 1 74 74 LEU HB3 H 1 1.94 0.02 . 2 . . . . 74 LEU HB3 . 15132 1 545 . 1 1 74 74 LEU C C 13 174.64 0.4 . 1 . . . . 74 LEU C . 15132 1 546 . 1 1 74 74 LEU CA C 13 55.12 0.4 . 1 . . . . 74 LEU CA . 15132 1 547 . 1 1 74 74 LEU CB C 13 43.86 0.4 . 1 . . . . 74 LEU CB . 15132 1 548 . 1 1 74 74 LEU N N 15 117.3 0.4 . 1 . . . . 74 LEU N . 15132 1 549 . 1 1 75 75 GLY H H 1 7.636 0.02 . 1 . . . . 75 GLY H . 15132 1 550 . 1 1 75 75 GLY HA2 H 1 3.61 0.02 . 2 . . . . 75 GLY HA2 . 15132 1 551 . 1 1 75 75 GLY HA3 H 1 3.98 0.02 . 2 . . . . 75 GLY HA3 . 15132 1 552 . 1 1 75 75 GLY CA C 13 45.59 0.4 . 1 . . . . 75 GLY CA . 15132 1 553 . 1 1 75 75 GLY N N 15 105.8 0.4 . 1 . . . . 75 GLY N . 15132 1 554 . 1 1 76 76 TYR H H 1 8.06 0.02 . 1 . . . . 76 TYR H . 15132 1 555 . 1 1 76 76 TYR HA H 1 4.16 0.02 . 1 . . . . 76 TYR HA . 15132 1 556 . 1 1 76 76 TYR HB2 H 1 2.9 0.02 . 2 . . . . 76 TYR HB2 . 15132 1 557 . 1 1 76 76 TYR HB3 H 1 2.39 0.02 . 2 . . . . 76 TYR HB3 . 15132 1 558 . 1 1 76 76 TYR HD1 H 1 6.7 0.02 . 3 . . . . 76 TYR HD1 . 15132 1 559 . 1 1 76 76 TYR CA C 13 58.54 0.4 . 1 . . . . 76 TYR CA . 15132 1 560 . 1 1 76 76 TYR CB C 13 38.8 0.4 . 1 . . . . 76 TYR CB . 15132 1 561 . 1 1 76 76 TYR N N 15 120.3 0.4 . 1 . . . . 76 TYR N . 15132 1 562 . 1 1 77 77 ASN H H 1 8.53 0.02 . 1 . . . . 77 ASN H . 15132 1 563 . 1 1 77 77 ASN HA H 1 4.71 0.02 . 1 . . . . 77 ASN HA . 15132 1 564 . 1 1 77 77 ASN HB2 H 1 2.7 0.02 . 2 . . . . 77 ASN HB2 . 15132 1 565 . 1 1 77 77 ASN HB3 H 1 2.67 0.02 . 2 . . . . 77 ASN HB3 . 15132 1 566 . 1 1 77 77 ASN CA C 13 52.7 0.4 . 1 . . . . 77 ASN CA . 15132 1 567 . 1 1 77 77 ASN CB C 13 40.9 0.4 . 1 . . . . 77 ASN CB . 15132 1 568 . 1 1 77 77 ASN N N 15 119.1 0.4 . 1 . . . . 77 ASN N . 15132 1 569 . 1 1 78 78 ASP H H 1 8.162 0.02 . 1 . . . . 78 ASP H . 15132 1 570 . 1 1 78 78 ASP HA H 1 4.46 0.02 . 1 . . . . 78 ASP HA . 15132 1 571 . 1 1 78 78 ASP HB2 H 1 2.44 0.02 . 2 . . . . 78 ASP HB2 . 15132 1 572 . 1 1 78 78 ASP HB3 H 1 2.74 0.02 . 2 . . . . 78 ASP HB3 . 15132 1 573 . 1 1 78 78 ASP CA C 13 54.3 0.4 . 1 . . . . 78 ASP CA . 15132 1 574 . 1 1 78 78 ASP CB C 13 40.4 0.4 . 1 . . . . 78 ASP CB . 15132 1 575 . 1 1 78 78 ASP N N 15 120.1 0.4 . 1 . . . . 78 ASP N . 15132 1 576 . 1 1 79 79 ILE H H 1 7.95 0.02 . 1 . . . . 79 ILE H . 15132 1 577 . 1 1 79 79 ILE HA H 1 4.74 0.02 . 1 . . . . 79 ILE HA . 15132 1 578 . 1 1 79 79 ILE HB H 1 1.56 0.02 . 1 . . . . 79 ILE HB . 15132 1 579 . 1 1 79 79 ILE C C 13 174.49 0.4 . 1 . . . . 79 ILE C . 15132 1 580 . 1 1 79 79 ILE CA C 13 59.8 0.4 . 1 . . . . 79 ILE CA . 15132 1 581 . 1 1 79 79 ILE CB C 13 39.5 0.4 . 1 . . . . 79 ILE CB . 15132 1 582 . 1 1 79 79 ILE N N 15 120.4 0.4 . 1 . . . . 79 ILE N . 15132 1 583 . 1 1 80 80 ASN H H 1 8.661 0.02 . 1 . . . . 80 ASN H . 15132 1 584 . 1 1 80 80 ASN HA H 1 4.99 0.02 . 1 . . . . 80 ASN HA . 15132 1 585 . 1 1 80 80 ASN HB2 H 1 2.52 0.02 . 1 . . . . 80 ASN HB2 . 15132 1 586 . 1 1 80 80 ASN HB3 H 1 2.52 0.02 . 1 . . . . 80 ASN HB3 . 15132 1 587 . 1 1 80 80 ASN HD21 H 1 6.73 0.02 . 2 . . . . 80 ASN HD21 . 15132 1 588 . 1 1 80 80 ASN HD22 H 1 7.43 0.02 . 2 . . . . 80 ASN HD22 . 15132 1 589 . 1 1 80 80 ASN C C 13 171.64 0.4 . 1 . . . . 80 ASN C . 15132 1 590 . 1 1 80 80 ASN CA C 13 52.57 0.4 . 1 . . . . 80 ASN CA . 15132 1 591 . 1 1 80 80 ASN CB C 13 42.81 0.4 . 1 . . . . 80 ASN CB . 15132 1 592 . 1 1 80 80 ASN N N 15 125.1 0.4 . 1 . . . . 80 ASN N . 15132 1 593 . 1 1 80 80 ASN ND2 N 15 114.2 0.4 . 1 . . . . 80 ASN ND2 . 15132 1 594 . 1 1 81 81 VAL H H 1 8.56 0.02 . 1 . . . . 81 VAL H . 15132 1 595 . 1 1 81 81 VAL HA H 1 4.89 0.02 . 1 . . . . 81 VAL HA . 15132 1 596 . 1 1 81 81 VAL HB H 1 1.84 0.02 . 1 . . . . 81 VAL HB . 15132 1 597 . 1 1 81 81 VAL C C 13 173.78 0.4 . 1 . . . . 81 VAL C . 15132 1 598 . 1 1 81 81 VAL CA C 13 61.3 0.4 . 1 . . . . 81 VAL CA . 15132 1 599 . 1 1 81 81 VAL CB C 13 34.3 0.4 . 1 . . . . 81 VAL CB . 15132 1 600 . 1 1 81 81 VAL N N 15 125.5 0.4 . 1 . . . . 81 VAL N . 15132 1 601 . 1 1 82 82 THR H H 1 9.077 0.02 . 1 . . . . 82 THR H . 15132 1 602 . 1 1 82 82 THR HA H 1 4.63 0.02 . 1 . . . . 82 THR HA . 15132 1 603 . 1 1 82 82 THR HB H 1 3.92 0.02 . 1 . . . . 82 THR HB . 15132 1 604 . 1 1 82 82 THR C C 13 170.63 0.4 . 1 . . . . 82 THR C . 15132 1 605 . 1 1 82 82 THR CA C 13 61.04 0.4 . 1 . . . . 82 THR CA . 15132 1 606 . 1 1 82 82 THR CB C 13 72.05 0.4 . 1 . . . . 82 THR CB . 15132 1 607 . 1 1 82 82 THR N N 15 120.8 0.4 . 1 . . . . 82 THR N . 15132 1 608 . 1 1 83 83 TRP H H 1 8.873 0.02 . 1 . . . . 83 TRP H . 15132 1 609 . 1 1 83 83 TRP HA H 1 5.51 0.02 . 1 . . . . 83 TRP HA . 15132 1 610 . 1 1 83 83 TRP HB2 H 1 2.83 0.02 . 2 . . . . 83 TRP HB2 . 15132 1 611 . 1 1 83 83 TRP HB3 H 1 3.27 0.02 . 2 . . . . 83 TRP HB3 . 15132 1 612 . 1 1 83 83 TRP HE1 H 1 10.28 0.02 . 1 . . . . 83 TRP HE1 . 15132 1 613 . 1 1 83 83 TRP C C 13 173.25 0.4 . 1 . . . . 83 TRP C . 15132 1 614 . 1 1 83 83 TRP CA C 13 56.34 0.4 . 1 . . . . 83 TRP CA . 15132 1 615 . 1 1 83 83 TRP CB C 13 30.73 0.4 . 1 . . . . 83 TRP CB . 15132 1 616 . 1 1 83 83 TRP N N 15 125.1 0.4 . 1 . . . . 83 TRP N . 15132 1 617 . 1 1 83 83 TRP NE1 N 15 129.9 0.4 . 1 . . . . 83 TRP NE1 . 15132 1 618 . 1 1 84 84 ASP H H 1 7.806 0.02 . 1 . . . . 84 ASP H . 15132 1 619 . 1 1 84 84 ASP HA H 1 4.43 0.02 . 1 . . . . 84 ASP HA . 15132 1 620 . 1 1 84 84 ASP HB2 H 1 2.35 0.02 . 1 . . . . 84 ASP HB2 . 15132 1 621 . 1 1 84 84 ASP HB3 H 1 2.35 0.02 . 1 . . . . 84 ASP HB3 . 15132 1 622 . 1 1 84 84 ASP CA C 13 52.8 0.4 . 1 . . . . 84 ASP CA . 15132 1 623 . 1 1 84 84 ASP CB C 13 41.42 0.4 . 1 . . . . 84 ASP CB . 15132 1 624 . 1 1 84 84 ASP N N 15 126.9 0.4 . 1 . . . . 84 ASP N . 15132 1 625 . 1 1 85 85 GLY CA C 13 45.2 0.4 . 1 . . . . 85 GLY CA . 15132 1 626 . 1 1 86 86 ASP H H 1 8.225 0.02 . 1 . . . . 86 ASP H . 15132 1 627 . 1 1 86 86 ASP HB2 H 1 2.45 0.02 . 2 . . . . 86 ASP HB2 . 15132 1 628 . 1 1 86 86 ASP HB3 H 1 2.57 0.02 . 2 . . . . 86 ASP HB3 . 15132 1 629 . 1 1 86 86 ASP C C 13 174.71 0.4 . 1 . . . . 86 ASP C . 15132 1 630 . 1 1 86 86 ASP CA C 13 55.8 0.4 . 1 . . . . 86 ASP CA . 15132 1 631 . 1 1 86 86 ASP CB C 13 44.1 0.4 . 1 . . . . 86 ASP CB . 15132 1 632 . 1 1 86 86 ASP N N 15 119 0.4 . 1 . . . . 86 ASP N . 15132 1 633 . 1 1 87 87 THR H H 1 9.105 0.02 . 1 . . . . 87 THR H . 15132 1 634 . 1 1 87 87 THR HA H 1 4.9 0.02 . 1 . . . . 87 THR HA . 15132 1 635 . 1 1 87 87 THR HB H 1 3.81 0.02 . 1 . . . . 87 THR HB . 15132 1 636 . 1 1 87 87 THR C C 13 172.93 0.4 . 1 . . . . 87 THR C . 15132 1 637 . 1 1 87 87 THR CA C 13 61.6 0.4 . 1 . . . . 87 THR CA . 15132 1 638 . 1 1 87 87 THR CB C 13 72.34 0.4 . 1 . . . . 87 THR CB . 15132 1 639 . 1 1 87 87 THR N N 15 115.1 0.4 . 1 . . . . 87 THR N . 15132 1 640 . 1 1 88 88 VAL H H 1 9.394 0.02 . 1 . . . . 88 VAL H . 15132 1 641 . 1 1 88 88 VAL HA H 1 5.4 0.02 . 1 . . . . 88 VAL HA . 15132 1 642 . 1 1 88 88 VAL HB H 1 1.8 0.02 . 1 . . . . 88 VAL HB . 15132 1 643 . 1 1 88 88 VAL C C 13 170.41 0.4 . 1 . . . . 88 VAL C . 15132 1 644 . 1 1 88 88 VAL CA C 13 59.21 0.4 . 1 . . . . 88 VAL CA . 15132 1 645 . 1 1 88 88 VAL CB C 13 35.11 0.4 . 1 . . . . 88 VAL CB . 15132 1 646 . 1 1 88 88 VAL N N 15 127.4 0.4 . 1 . . . . 88 VAL N . 15132 1 647 . 1 1 89 89 THR H H 1 9.183 0.02 . 1 . . . . 89 THR H . 15132 1 648 . 1 1 89 89 THR HA H 1 5.2 0.02 . 1 . . . . 89 THR HA . 15132 1 649 . 1 1 89 89 THR HB H 1 3.74 0.02 . 1 . . . . 89 THR HB . 15132 1 650 . 1 1 89 89 THR C C 13 171.5 0.4 . 1 . . . . 89 THR C . 15132 1 651 . 1 1 89 89 THR CA C 13 61.56 0.4 . 1 . . . . 89 THR CA . 15132 1 652 . 1 1 89 89 THR CB C 13 70.62 0.4 . 1 . . . . 89 THR CB . 15132 1 653 . 1 1 89 89 THR N N 15 124.8 0.4 . 1 . . . . 89 THR N . 15132 1 654 . 1 1 90 90 VAL H H 1 9.189 0.02 . 1 . . . . 90 VAL H . 15132 1 655 . 1 1 90 90 VAL HA H 1 4.87 0.02 . 1 . . . . 90 VAL HA . 15132 1 656 . 1 1 90 90 VAL HB H 1 1.78 0.02 . 1 . . . . 90 VAL HB . 15132 1 657 . 1 1 90 90 VAL C C 13 171.08 0.4 . 1 . . . . 90 VAL C . 15132 1 658 . 1 1 90 90 VAL CA C 13 60.88 0.4 . 1 . . . . 90 VAL CA . 15132 1 659 . 1 1 90 90 VAL CB C 13 34.05 0.4 . 1 . . . . 90 VAL CB . 15132 1 660 . 1 1 90 90 VAL N N 15 127.3 0.4 . 1 . . . . 90 VAL N . 15132 1 661 . 1 1 91 91 GLU H H 1 8.477 0.02 . 1 . . . . 91 GLU H . 15132 1 662 . 1 1 91 91 GLU HA H 1 5.35 0.02 . 1 . . . . 91 GLU HA . 15132 1 663 . 1 1 91 91 GLU HB2 H 1 1.80 0.02 . 2 . . . . 91 GLU HB2 . 15132 1 664 . 1 1 91 91 GLU HB3 H 1 1.83 0.02 . 2 . . . . 91 GLU HB3 . 15132 1 665 . 1 1 91 91 GLU CA C 13 53.58 0.4 . 1 . . . . 91 GLU CA . 15132 1 666 . 1 1 91 91 GLU CB C 13 34.04 0.4 . 1 . . . . 91 GLU CB . 15132 1 667 . 1 1 91 91 GLU N N 15 127.2 0.4 . 1 . . . . 91 GLU N . 15132 1 668 . 1 1 92 92 GLY H H 1 8.43 0.02 . 1 . . . . 92 GLY H . 15132 1 669 . 1 1 92 92 GLY C C 13 169.41 0.4 . 1 . . . . 92 GLY C . 15132 1 670 . 1 1 92 92 GLY CA C 13 44.62 0.4 . 1 . . . . 92 GLY CA . 15132 1 671 . 1 1 92 92 GLY N N 15 110.3 0.4 . 1 . . . . 92 GLY N . 15132 1 672 . 1 1 93 93 GLN H H 1 8.609 0.02 . 1 . . . . 93 GLN H . 15132 1 673 . 1 1 93 93 GLN HA H 1 5.47 0.02 . 1 . . . . 93 GLN HA . 15132 1 674 . 1 1 93 93 GLN HB2 H 1 2.03 0.02 . 2 . . . . 93 GLN HB2 . 15132 1 675 . 1 1 93 93 GLN HB3 H 1 1.94 0.02 . 2 . . . . 93 GLN HB3 . 15132 1 676 . 1 1 93 93 GLN C C 13 173.02 0.4 . 1 . . . . 93 GLN C . 15132 1 677 . 1 1 93 93 GLN CA C 13 54.16 0.4 . 1 . . . . 93 GLN CA . 15132 1 678 . 1 1 93 93 GLN CB C 13 33 0.4 . 1 . . . . 93 GLN CB . 15132 1 679 . 1 1 93 93 GLN N N 15 118.2 0.4 . 1 . . . . 93 GLN N . 15132 1 680 . 1 1 94 94 LEU H H 1 8.558 0.02 . 1 . . . . 94 LEU H . 15132 1 681 . 1 1 94 94 LEU HA H 1 4 0.02 . 1 . . . . 94 LEU HA . 15132 1 682 . 1 1 94 94 LEU HB2 H 1 1.35 0.02 . 2 . . . . 94 LEU HB2 . 15132 1 683 . 1 1 94 94 LEU HB3 H 1 1.12 0.02 . 2 . . . . 94 LEU HB3 . 15132 1 684 . 1 1 94 94 LEU C C 13 174.93 0.4 . 1 . . . . 94 LEU C . 15132 1 685 . 1 1 94 94 LEU CA C 13 54.97 0.4 . 1 . . . . 94 LEU CA . 15132 1 686 . 1 1 94 94 LEU CB C 13 43.09 0.4 . 1 . . . . 94 LEU CB . 15132 1 687 . 1 1 94 94 LEU N N 15 124.9 0.4 . 1 . . . . 94 LEU N . 15132 1 688 . 1 1 95 95 GLU H H 1 8.433 0.02 . 1 . . . . 95 GLU H . 15132 1 689 . 1 1 95 95 GLU HA H 1 4.18 0.02 . 1 . . . . 95 GLU HA . 15132 1 690 . 1 1 95 95 GLU HB2 H 1 1.9 0.02 . 2 . . . . 95 GLU HB2 . 15132 1 691 . 1 1 95 95 GLU HB3 H 1 1.83 0.02 . 2 . . . . 95 GLU HB3 . 15132 1 692 . 1 1 95 95 GLU C C 13 174.82 0.4 . 1 . . . . 95 GLU C . 15132 1 693 . 1 1 95 95 GLU CA C 13 56.54 0.4 . 1 . . . . 95 GLU CA . 15132 1 694 . 1 1 95 95 GLU CB C 13 30.61 0.4 . 1 . . . . 95 GLU CB . 15132 1 695 . 1 1 95 95 GLU N N 15 123.9 0.4 . 1 . . . . 95 GLU N . 15132 1 696 . 1 1 96 96 GLY H H 1 8.45 0.02 . 1 . . . . 96 GLY H . 15132 1 697 . 1 1 96 96 GLY HA2 H 1 3.83 0.02 . 1 . . . . 96 GLY HA2 . 15132 1 698 . 1 1 96 96 GLY HA3 H 1 3.83 0.02 . 1 . . . . 96 GLY HA3 . 15132 1 699 . 1 1 96 96 GLY C C 13 172.8 0.4 . 1 . . . . 96 GLY C . 15132 1 700 . 1 1 96 96 GLY CA C 13 45.55 0.4 . 1 . . . . 96 GLY CA . 15132 1 701 . 1 1 96 96 GLY N N 15 110.6 0.4 . 1 . . . . 96 GLY N . 15132 1 702 . 1 1 97 97 GLY H H 1 8.284 0.02 . 1 . . . . 97 GLY H . 15132 1 703 . 1 1 97 97 GLY HA2 H 1 3.85 0.02 . 1 . . . . 97 GLY HA2 . 15132 1 704 . 1 1 97 97 GLY HA3 H 1 3.85 0.02 . 1 . . . . 97 GLY HA3 . 15132 1 705 . 1 1 97 97 GLY C C 13 172.38 0.4 . 1 . . . . 97 GLY C . 15132 1 706 . 1 1 97 97 GLY CA C 13 45.4 0.4 . 1 . . . . 97 GLY CA . 15132 1 707 . 1 1 97 97 GLY N N 15 109 0.4 . 1 . . . . 97 GLY N . 15132 1 708 . 1 1 98 98 SER H H 1 8.13 0.02 . 1 . . . . 98 SER H . 15132 1 709 . 1 1 98 98 SER HA H 1 4.28 0.02 . 1 . . . . 98 SER HA . 15132 1 710 . 1 1 98 98 SER HB2 H 1 3.76 0.02 . 2 . . . . 98 SER HB2 . 15132 1 711 . 1 1 98 98 SER HB3 H 1 3.71 0.02 . 2 . . . . 98 SER HB3 . 15132 1 712 . 1 1 98 98 SER CA C 13 58.5 0.4 . 1 . . . . 98 SER CA . 15132 1 713 . 1 1 98 98 SER CB C 13 63.7 0.4 . 1 . . . . 98 SER CB . 15132 1 714 . 1 1 98 98 SER N N 15 115.3 0.4 . 1 . . . . 98 SER N . 15132 1 715 . 1 1 99 99 LEU H H 1 8.201 0.02 . 1 . . . . 99 LEU H . 15132 1 716 . 1 1 99 99 LEU HA H 1 4.11 0.02 . 1 . . . . 99 LEU HA . 15132 1 717 . 1 1 99 99 LEU HB2 H 1 1.43 0.02 . 1 . . . . 99 LEU HB2 . 15132 1 718 . 1 1 99 99 LEU HB3 H 1 1.43 0.02 . 1 . . . . 99 LEU HB3 . 15132 1 719 . 1 1 99 99 LEU CA C 13 55.34 0.4 . 1 . . . . 99 LEU CA . 15132 1 720 . 1 1 99 99 LEU CB C 13 42.14 0.4 . 1 . . . . 99 LEU CB . 15132 1 721 . 1 1 99 99 LEU N N 15 123.6 0.4 . 1 . . . . 99 LEU N . 15132 1 722 . 1 1 100 100 GLU H H 1 8.085 0.02 . 1 . . . . 100 GLU H . 15132 1 723 . 1 1 100 100 GLU HA H 1 3.99 0.02 . 1 . . . . 100 GLU HA . 15132 1 724 . 1 1 100 100 GLU HB2 H 1 1.72 0.02 . 1 . . . . 100 GLU HB2 . 15132 1 725 . 1 1 100 100 GLU HB3 H 1 1.72 0.02 . 1 . . . . 100 GLU HB3 . 15132 1 726 . 1 1 100 100 GLU CA C 13 56.67 0.4 . 1 . . . . 100 GLU CA . 15132 1 727 . 1 1 100 100 GLU CB C 13 30.13 0.4 . 1 . . . . 100 GLU CB . 15132 1 728 . 1 1 100 100 GLU N N 15 120.3 0.4 . 1 . . . . 100 GLU N . 15132 1 729 . 1 1 101 101 HIS H H 1 8.156 0.02 . 1 . . . . 101 HIS H . 15132 1 730 . 1 1 101 101 HIS HA H 1 4.49 0.02 . 1 . . . . 101 HIS HA . 15132 1 731 . 1 1 101 101 HIS HB2 H 1 2.95 0.02 . 2 . . . . 101 HIS HB2 . 15132 1 732 . 1 1 101 101 HIS HB3 H 1 3.03 0.02 . 2 . . . . 101 HIS HB3 . 15132 1 733 . 1 1 101 101 HIS CA C 13 55.3 0.4 . 1 . . . . 101 HIS CA . 15132 1 734 . 1 1 101 101 HIS CB C 13 29.14 0.4 . 1 . . . . 101 HIS CB . 15132 1 735 . 1 1 101 101 HIS N N 15 118.9 0.4 . 1 . . . . 101 HIS N . 15132 1 736 . 1 1 102 102 HIS H H 1 8.349 0.02 . 1 . . . . 102 HIS H . 15132 1 737 . 1 1 102 102 HIS CA C 13 55.61 0.4 . 1 . . . . 102 HIS CA . 15132 1 738 . 1 1 102 102 HIS CB C 13 29.7 0.4 . 1 . . . . 102 HIS CB . 15132 1 739 . 1 1 102 102 HIS N N 15 119.4 0.4 . 1 . . . . 102 HIS N . 15132 1 740 . 1 1 103 103 HIS H H 1 8.151 0.02 . 1 . . . . 103 HIS H . 15132 1 741 . 1 1 103 103 HIS CA C 13 57.1 0.4 . 1 . . . . 103 HIS CA . 15132 1 742 . 1 1 103 103 HIS CB C 13 30.1 0.4 . 1 . . . . 103 HIS CB . 15132 1 743 . 1 1 103 103 HIS N N 15 125.3 0.4 . 1 . . . . 103 HIS N . 15132 1 stop_ save_