data_5067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5067 _Entry.Title ; Solution Structure of the Lipoyl Domain of the Chimeric Dihydrolipoyl Dehydrogenase P64K from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-07-02 _Entry.Accession_date 2001-07-02 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kaeko Tozawa . . . 5067 2 Richard Broadhurst . W. . 5067 3 Andrew Raine . R.C. . 5067 4 Christopher Fuller . . . 5067 5 Anabel Alvarez . . . 5067 6 Gerardo Guillen . . . 5067 7 Gabriel Padron . . . 5067 8 Richard Perham . N. . 5067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 575 5067 '13C chemical shifts' 265 5067 '15N chemical shifts' 80 5067 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 . . 2001-11-14 2001-07-02 original author . 5067 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21443460 _Citation.DOI . _Citation.PubMed_ID 11559360 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Lipoyl Domain of the Chimeric Dihydrolipoyl Dehydrogenase P64K from Neisseria meningitidis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 268 _Citation.Journal_issue 18 _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 4908 _Citation.Page_last 4917 _Citation.Year 2001 _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 Kaeko Tozawa . . . 5067 1 2 Richard Broadhurst . W. . 5067 1 3 Andrew Raine . R.C. . 5067 1 4 Christopher Fuller . . . 5067 1 5 Anabel Alvarez . . . 5067 1 6 Gerardo Guillen . . . 5067 1 7 Gabriel Padron . . . 5067 1 8 Richard Perham . N. . 5067 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lipoyl domain' 5067 1 'dihydrolipoyl dehydrogenase' 5067 1 'multienzyme complex' 5067 1 'Neisseria meningitidis' 5067 1 'post-translational modification' 5067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p64K_lipoyl_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p64K_lipoyl_domain _Assembly.Entry_ID 5067 _Assembly.ID 1 _Assembly.Name 'lipoyl domain of dihydrolipoyl dehydrogenase P64K' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.8.1.4 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5067 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p64K lipoyl domain' 1 $lip . . . native . . . . . 5067 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'lipoyl domain of dihydrolipoyl dehydrogenase P64K' system 5067 1 'p64K lipoyl domain' abbreviation 5067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lip _Entity.Sf_category entity _Entity.Sf_framecode lip _Entity.Entry_ID 5067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lipoyl domain' _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 ; ALVELKVPDIGGHENVDIIA VEVNVGDTIAVDDTLITLET DKATMDVPAEVAGVVKEVKV KVGDKISEGGLIVVVEAEGT A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Unlabelled mass' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GJX . "Solution Structure Of The Lipoyl Domain Of The Chimeric Dihydrolipoyl Dehydrogenase P64k From Neisseria Meningitidis" . . . . . 100.00 81 100.00 100.00 1.57e-43 . . . . 5067 1 2 no EMBL CAA54878 . "outer membrane protein p64k or PM-6 [Neisseria meningitidis]" . . . . . 100.00 594 100.00 100.00 1.94e-40 . . . . 5067 1 3 no EMBL CAA57206 . "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" . . . . . 100.00 593 97.53 98.77 1.34e-39 . . . . 5067 1 4 no EMBL CAA59171 . "outer mambrane protein P64k or PM-6 [Neisseria meningitidis]" . . . . . 100.00 594 100.00 100.00 2.06e-40 . . . . 5067 1 5 no EMBL CAA61894 . "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" . . . . . 96.30 593 98.72 98.72 1.69e-26 . . . . 5067 1 6 no EMBL CAA61895 . "outer membrane protein P64k or PM-6 [Neisseria meningitidis]" . . . . . 100.00 594 97.53 97.53 1.22e-38 . . . . 5067 1 7 no GB AAF41719 . "pyruvate dehydrogenase, E3 component, lipoamide dehydrogenase [Neisseria meningitidis MC58]" . . . . . 100.00 594 100.00 100.00 1.98e-40 . . . . 5067 1 8 no GB AAW89295 . "putative dihydrolipoamide dehydrogenase [Neisseria gonorrhoeae FA 1090]" . . . . . 100.00 594 97.53 98.77 1.54e-39 . . . . 5067 1 9 no GB ABX73429 . "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis 05" . . . . . 100.00 594 98.77 100.00 4.44e-40 . . . . 5067 1 10 no GB ACF30036 . "putative dihydrolipoamide dehydrogenase [Neisseria gonorrhoeae NCCP11945]" . . . . . 100.00 594 97.53 98.77 1.34e-39 . . . . 5067 1 11 no GB ADO31781 . "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis al" . . . . . 100.00 595 100.00 100.00 1.99e-40 . . . . 5067 1 12 no REF NP_274363 . "dihydrolipoamide dehydrogenase (E3 component of pyruvate and 2-oxoglutarate dehydrogenase complexes) [Neisseria meningitidis MC" . . . . . 100.00 594 100.00 100.00 1.98e-40 . . . . 5067 1 13 no REF WP_002213261 . "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" . . . . . 100.00 594 98.77 100.00 4.90e-40 . . . . 5067 1 14 no REF WP_002217021 . "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" . . . . . 100.00 594 98.77 100.00 4.81e-40 . . . . 5067 1 15 no REF WP_002219145 . "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" . . . . . 100.00 595 100.00 100.00 1.99e-40 . . . . 5067 1 16 no REF WP_002220847 . "dihydrolipoamide dehydrogenase [Neisseria meningitidis]" . . . . . 100.00 595 97.53 98.77 2.10e-39 . . . . 5067 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'lipoyl domain' common 5067 1 lip abbreviation 5067 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 . ALA . 5067 1 2 . LEU . 5067 1 3 . VAL . 5067 1 4 . GLU . 5067 1 5 . LEU . 5067 1 6 . LYS . 5067 1 7 . VAL . 5067 1 8 . PRO . 5067 1 9 . ASP . 5067 1 10 . ILE . 5067 1 11 . GLY . 5067 1 12 . GLY . 5067 1 13 . HIS . 5067 1 14 . GLU . 5067 1 15 . ASN . 5067 1 16 . VAL . 5067 1 17 . ASP . 5067 1 18 . ILE . 5067 1 19 . ILE . 5067 1 20 . ALA . 5067 1 21 . VAL . 5067 1 22 . GLU . 5067 1 23 . VAL . 5067 1 24 . ASN . 5067 1 25 . VAL . 5067 1 26 . GLY . 5067 1 27 . ASP . 5067 1 28 . THR . 5067 1 29 . ILE . 5067 1 30 . ALA . 5067 1 31 . VAL . 5067 1 32 . ASP . 5067 1 33 . ASP . 5067 1 34 . THR . 5067 1 35 . LEU . 5067 1 36 . ILE . 5067 1 37 . THR . 5067 1 38 . LEU . 5067 1 39 . GLU . 5067 1 40 . THR . 5067 1 41 . ASP . 5067 1 42 . LYS . 5067 1 43 . ALA . 5067 1 44 . THR . 5067 1 45 . MET . 5067 1 46 . ASP . 5067 1 47 . VAL . 5067 1 48 . PRO . 5067 1 49 . ALA . 5067 1 50 . GLU . 5067 1 51 . VAL . 5067 1 52 . ALA . 5067 1 53 . GLY . 5067 1 54 . VAL . 5067 1 55 . VAL . 5067 1 56 . LYS . 5067 1 57 . GLU . 5067 1 58 . VAL . 5067 1 59 . LYS . 5067 1 60 . VAL . 5067 1 61 . LYS . 5067 1 62 . VAL . 5067 1 63 . GLY . 5067 1 64 . ASP . 5067 1 65 . LYS . 5067 1 66 . ILE . 5067 1 67 . SER . 5067 1 68 . GLU . 5067 1 69 . GLY . 5067 1 70 . GLY . 5067 1 71 . LEU . 5067 1 72 . ILE . 5067 1 73 . VAL . 5067 1 74 . VAL . 5067 1 75 . VAL . 5067 1 76 . GLU . 5067 1 77 . ALA . 5067 1 78 . GLU . 5067 1 79 . GLY . 5067 1 80 . THR . 5067 1 81 . ALA . 5067 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 . ALA 1 1 5067 1 . LEU 2 2 5067 1 . VAL 3 3 5067 1 . GLU 4 4 5067 1 . LEU 5 5 5067 1 . LYS 6 6 5067 1 . VAL 7 7 5067 1 . PRO 8 8 5067 1 . ASP 9 9 5067 1 . ILE 10 10 5067 1 . GLY 11 11 5067 1 . GLY 12 12 5067 1 . HIS 13 13 5067 1 . GLU 14 14 5067 1 . ASN 15 15 5067 1 . VAL 16 16 5067 1 . ASP 17 17 5067 1 . ILE 18 18 5067 1 . ILE 19 19 5067 1 . ALA 20 20 5067 1 . VAL 21 21 5067 1 . GLU 22 22 5067 1 . VAL 23 23 5067 1 . ASN 24 24 5067 1 . VAL 25 25 5067 1 . GLY 26 26 5067 1 . ASP 27 27 5067 1 . THR 28 28 5067 1 . ILE 29 29 5067 1 . ALA 30 30 5067 1 . VAL 31 31 5067 1 . ASP 32 32 5067 1 . ASP 33 33 5067 1 . THR 34 34 5067 1 . LEU 35 35 5067 1 . ILE 36 36 5067 1 . THR 37 37 5067 1 . LEU 38 38 5067 1 . GLU 39 39 5067 1 . THR 40 40 5067 1 . ASP 41 41 5067 1 . LYS 42 42 5067 1 . ALA 43 43 5067 1 . THR 44 44 5067 1 . MET 45 45 5067 1 . ASP 46 46 5067 1 . VAL 47 47 5067 1 . PRO 48 48 5067 1 . ALA 49 49 5067 1 . GLU 50 50 5067 1 . VAL 51 51 5067 1 . ALA 52 52 5067 1 . GLY 53 53 5067 1 . VAL 54 54 5067 1 . VAL 55 55 5067 1 . LYS 56 56 5067 1 . GLU 57 57 5067 1 . VAL 58 58 5067 1 . LYS 59 59 5067 1 . VAL 60 60 5067 1 . LYS 61 61 5067 1 . VAL 62 62 5067 1 . GLY 63 63 5067 1 . ASP 64 64 5067 1 . LYS 65 65 5067 1 . ILE 66 66 5067 1 . SER 67 67 5067 1 . GLU 68 68 5067 1 . GLY 69 69 5067 1 . GLY 70 70 5067 1 . LEU 71 71 5067 1 . ILE 72 72 5067 1 . VAL 73 73 5067 1 . VAL 74 74 5067 1 . VAL 75 75 5067 1 . GLU 76 76 5067 1 . ALA 77 77 5067 1 . GLU 78 78 5067 1 . GLY 79 79 5067 1 . THR 80 80 5067 1 . ALA 81 81 5067 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 5067 _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 $lip . 487 . . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Eubacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 5067 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 5067 _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 $lip . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5067 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'lipoyl domain' '[U-2H; U-13C; U-15N]' . . 1 $lip . . 2 . . mM . . . . 5067 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5067 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 5.5 0.1 n/a 5067 1 temperature 298 1 K 5067 1 'ionic strength' 20 . mM 5067 1 pressure 1 . atm 5067 1 stop_ save_ ############################ # Computer software used # ############################ save_ansig _Software.Sf_category software _Software.Sf_framecode ansig _Software.Entry_ID 5067 _Software.ID 1 _Software.Name ansig _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5067 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5067 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5067 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 5067 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 5067 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 4 '1H-13C TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 5 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5067 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5067 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5067 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5067 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5067 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5067 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5067 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5067 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5067 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5067 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5067 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' 1 $sample_1 . 5067 1 2 '1H-15N TOCSY' 1 $sample_1 . 5067 1 3 HNCA 1 $sample_1 . 5067 1 4 '1H-13C TOCSY' 1 $sample_1 . 5067 1 5 '1H-13C NOESY' 1 $sample_1 . 5067 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 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 5067 1 2 . 1 1 1 1 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 3 . 1 1 1 1 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 4 . 1 1 1 1 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 5 . 1 1 1 1 ALA CA C 13 51.38 0.02 . 1 . . . . . . . . 5067 1 6 . 1 1 1 1 ALA CB C 13 19.87 0.02 . 1 . . . . . . . . 5067 1 7 . 1 1 2 2 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 5067 1 8 . 1 1 2 2 LEU HA H 1 5.04 0.01 . 1 . . . . . . . . 5067 1 9 . 1 1 2 2 LEU HB2 H 1 1.10 0.01 . 2 . . . . . . . . 5067 1 10 . 1 1 2 2 LEU HB3 H 1 1.71 0.01 . 2 . . . . . . . . 5067 1 11 . 1 1 2 2 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 5067 1 12 . 1 1 2 2 LEU HD11 H 1 0.84 0.01 . 2 . . . . . . . . 5067 1 13 . 1 1 2 2 LEU HD12 H 1 0.84 0.01 . 2 . . . . . . . . 5067 1 14 . 1 1 2 2 LEU HD13 H 1 0.84 0.01 . 2 . . . . . . . . 5067 1 15 . 1 1 2 2 LEU HD21 H 1 0.73 0.01 . 2 . . . . . . . . 5067 1 16 . 1 1 2 2 LEU HD22 H 1 0.73 0.01 . 2 . . . . . . . . 5067 1 17 . 1 1 2 2 LEU HD23 H 1 0.73 0.01 . 2 . . . . . . . . 5067 1 18 . 1 1 2 2 LEU CA C 13 54.11 0.02 . 1 . . . . . . . . 5067 1 19 . 1 1 2 2 LEU CB C 13 41.96 0.02 . 1 . . . . . . . . 5067 1 20 . 1 1 2 2 LEU CG C 13 26.58 0.02 . 1 . . . . . . . . 5067 1 21 . 1 1 2 2 LEU CD1 C 13 26.27 0.02 . 2 . . . . . . . . 5067 1 22 . 1 1 2 2 LEU CD2 C 13 23.04 0.02 . 2 . . . . . . . . 5067 1 23 . 1 1 2 2 LEU N N 15 120.34 0.05 . 1 . . . . . . . . 5067 1 24 . 1 1 3 3 VAL H H 1 9.53 0.01 . 1 . . . . . . . . 5067 1 25 . 1 1 3 3 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 5067 1 26 . 1 1 3 3 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 5067 1 27 . 1 1 3 3 VAL HG11 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 28 . 1 1 3 3 VAL HG12 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 29 . 1 1 3 3 VAL HG13 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 30 . 1 1 3 3 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 31 . 1 1 3 3 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 32 . 1 1 3 3 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5067 1 33 . 1 1 3 3 VAL CA C 13 60.94 0.02 . 1 . . . . . . . . 5067 1 34 . 1 1 3 3 VAL CB C 13 35.09 0.02 . 1 . . . . . . . . 5067 1 35 . 1 1 3 3 VAL CG1 C 13 21.13 0.02 . 1 . . . . . . . . 5067 1 36 . 1 1 3 3 VAL CG2 C 13 21.13 0.02 . 1 . . . . . . . . 5067 1 37 . 1 1 3 3 VAL N N 15 122.88 0.05 . 1 . . . . . . . . 5067 1 38 . 1 1 4 4 GLU H H 1 8.65 0.01 . 1 . . . . . . . . 5067 1 39 . 1 1 4 4 GLU HA H 1 4.45 0.01 . 1 . . . . . . . . 5067 1 40 . 1 1 4 4 GLU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 5067 1 41 . 1 1 4 4 GLU HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5067 1 42 . 1 1 4 4 GLU HG2 H 1 2.04 0.01 . 2 . . . . . . . . 5067 1 43 . 1 1 4 4 GLU HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5067 1 44 . 1 1 4 4 GLU CA C 13 55.57 0.02 . 1 . . . . . . . . 5067 1 45 . 1 1 4 4 GLU CB C 13 30.54 0.02 . 1 . . . . . . . . 5067 1 46 . 1 1 4 4 GLU CG C 13 36.51 0.02 . 1 . . . . . . . . 5067 1 47 . 1 1 4 4 GLU N N 15 123.78 0.05 . 1 . . . . . . . . 5067 1 48 . 1 1 5 5 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 5067 1 49 . 1 1 5 5 LEU HA H 1 4.79 0.01 . 1 . . . . . . . . 5067 1 50 . 1 1 5 5 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 5067 1 51 . 1 1 5 5 LEU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5067 1 52 . 1 1 5 5 LEU HG H 1 2.22 0.01 . 1 . . . . . . . . 5067 1 53 . 1 1 5 5 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 54 . 1 1 5 5 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 55 . 1 1 5 5 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 56 . 1 1 5 5 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 57 . 1 1 5 5 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 58 . 1 1 5 5 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 59 . 1 1 5 5 LEU CA C 13 54.14 0.02 . 1 . . . . . . . . 5067 1 60 . 1 1 5 5 LEU CB C 13 39.89 0.02 . 1 . . . . . . . . 5067 1 61 . 1 1 5 5 LEU CG C 13 25.76 0.02 . 1 . . . . . . . . 5067 1 62 . 1 1 5 5 LEU CD1 C 13 25.52 0.02 . 2 . . . . . . . . 5067 1 63 . 1 1 5 5 LEU CD2 C 13 23.28 0.02 . 2 . . . . . . . . 5067 1 64 . 1 1 5 5 LEU N N 15 121.82 0.05 . 1 . . . . . . . . 5067 1 65 . 1 1 6 6 LYS H H 1 8.59 0.01 . 1 . . . . . . . . 5067 1 66 . 1 1 6 6 LYS HA H 1 5.21 0.01 . 1 . . . . . . . . 5067 1 67 . 1 1 6 6 LYS HB2 H 1 1.38 0.01 . 2 . . . . . . . . 5067 1 68 . 1 1 6 6 LYS HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5067 1 69 . 1 1 6 6 LYS HG2 H 1 1.06 0.01 . 2 . . . . . . . . 5067 1 70 . 1 1 6 6 LYS HG3 H 1 1.15 0.01 . 2 . . . . . . . . 5067 1 71 . 1 1 6 6 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 5067 1 72 . 1 1 6 6 LYS HD3 H 1 1.67 0.01 . 2 . . . . . . . . 5067 1 73 . 1 1 6 6 LYS HE2 H 1 2.87 0.01 . 1 . . . . . . . . 5067 1 74 . 1 1 6 6 LYS HE3 H 1 2.87 0.01 . 1 . . . . . . . . 5067 1 75 . 1 1 6 6 LYS CA C 13 53.97 0.02 . 1 . . . . . . . . 5067 1 76 . 1 1 6 6 LYS CB C 13 36.51 0.02 . 1 . . . . . . . . 5067 1 77 . 1 1 6 6 LYS CG C 13 25.51 0.02 . 1 . . . . . . . . 5067 1 78 . 1 1 6 6 LYS CD C 13 29.06 0.02 . 1 . . . . . . . . 5067 1 79 . 1 1 6 6 LYS CE C 13 42.11 0.02 . 1 . . . . . . . . 5067 1 80 . 1 1 6 6 LYS N N 15 121.11 0.05 . 1 . . . . . . . . 5067 1 81 . 1 1 7 7 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 5067 1 82 . 1 1 7 7 VAL HA H 1 3.87 0.01 . 1 . . . . . . . . 5067 1 83 . 1 1 7 7 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . 5067 1 84 . 1 1 7 7 VAL HG11 H 1 1.14 0.01 . 2 . . . . . . . . 5067 1 85 . 1 1 7 7 VAL HG12 H 1 1.14 0.01 . 2 . . . . . . . . 5067 1 86 . 1 1 7 7 VAL HG13 H 1 1.14 0.01 . 2 . . . . . . . . 5067 1 87 . 1 1 7 7 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 88 . 1 1 7 7 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 89 . 1 1 7 7 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 90 . 1 1 7 7 VAL CA C 13 61.58 0.02 . 1 . . . . . . . . 5067 1 91 . 1 1 7 7 VAL CB C 13 32.59 0.02 . 1 . . . . . . . . 5067 1 92 . 1 1 7 7 VAL CG1 C 13 21.13 0.02 . 2 . . . . . . . . 5067 1 93 . 1 1 7 7 VAL CG2 C 13 24.14 0.02 . 2 . . . . . . . . 5067 1 94 . 1 1 7 7 VAL N N 15 120.94 0.05 . 1 . . . . . . . . 5067 1 95 . 1 1 8 8 PRO HA H 1 4.79 0.01 . 1 . . . . . . . . 5067 1 96 . 1 1 8 8 PRO HB2 H 1 2.25 0.01 . 1 . . . . . . . . 5067 1 97 . 1 1 8 8 PRO HB3 H 1 2.25 0.01 . 1 . . . . . . . . 5067 1 98 . 1 1 8 8 PRO HG2 H 1 1.62 0.01 . 2 . . . . . . . . 5067 1 99 . 1 1 8 8 PRO HG3 H 1 2.22 0.01 . 2 . . . . . . . . 5067 1 100 . 1 1 8 8 PRO HD2 H 1 3.43 0.01 . 2 . . . . . . . . 5067 1 101 . 1 1 8 8 PRO HD3 H 1 3.79 0.01 . 2 . . . . . . . . 5067 1 102 . 1 1 8 8 PRO CA C 13 62.76 0.02 . 1 . . . . . . . . 5067 1 103 . 1 1 8 8 PRO CB C 13 32.71 0.02 . 1 . . . . . . . . 5067 1 104 . 1 1 8 8 PRO CG C 13 25.76 0.02 . 1 . . . . . . . . 5067 1 105 . 1 1 8 8 PRO CD C 13 51.13 0.02 . 1 . . . . . . . . 5067 1 106 . 1 1 9 9 ASP H H 1 7.81 0.01 . 1 . . . . . . . . 5067 1 107 . 1 1 9 9 ASP HA H 1 4.16 0.01 . 1 . . . . . . . . 5067 1 108 . 1 1 9 9 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5067 1 109 . 1 1 9 9 ASP HB3 H 1 2.64 0.01 . 1 . . . . . . . . 5067 1 110 . 1 1 9 9 ASP CA C 13 55.96 0.02 . 1 . . . . . . . . 5067 1 111 . 1 1 9 9 ASP CB C 13 40.85 0.02 . 1 . . . . . . . . 5067 1 112 . 1 1 9 9 ASP N N 15 112.44 0.05 . 1 . . . . . . . . 5067 1 113 . 1 1 10 10 ILE H H 1 8.73 0.01 . 1 . . . . . . . . 5067 1 114 . 1 1 10 10 ILE HA H 1 4.55 0.01 . 1 . . . . . . . . 5067 1 115 . 1 1 10 10 ILE HB H 1 2.16 0.01 . 1 . . . . . . . . 5067 1 116 . 1 1 10 10 ILE HG12 H 1 1.16 0.01 . 2 . . . . . . . . 5067 1 117 . 1 1 10 10 ILE HG13 H 1 1.50 0.01 . 2 . . . . . . . . 5067 1 118 . 1 1 10 10 ILE HG21 H 1 0.74 0.01 . 1 . . . . . . . . 5067 1 119 . 1 1 10 10 ILE HG22 H 1 0.74 0.01 . 1 . . . . . . . . 5067 1 120 . 1 1 10 10 ILE HG23 H 1 0.74 0.01 . 1 . . . . . . . . 5067 1 121 . 1 1 10 10 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5067 1 122 . 1 1 10 10 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5067 1 123 . 1 1 10 10 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5067 1 124 . 1 1 10 10 ILE CA C 13 60.08 0.02 . 1 . . . . . . . . 5067 1 125 . 1 1 10 10 ILE CB C 13 38.43 0.02 . 1 . . . . . . . . 5067 1 126 . 1 1 10 10 ILE CG1 C 13 26.35 0.02 . 1 . . . . . . . . 5067 1 127 . 1 1 10 10 ILE CG2 C 13 17.20 0.02 . 1 . . . . . . . . 5067 1 128 . 1 1 10 10 ILE CD1 C 13 15.65 0.02 . 1 . . . . . . . . 5067 1 129 . 1 1 10 10 ILE N N 15 121.91 0.05 . 1 . . . . . . . . 5067 1 130 . 1 1 11 11 GLY H H 1 8.91 0.01 . 1 . . . . . . . . 5067 1 131 . 1 1 11 11 GLY HA2 H 1 3.81 0.01 . 2 . . . . . . . . 5067 1 132 . 1 1 11 11 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 5067 1 133 . 1 1 11 11 GLY CA C 13 46.21 0.02 . 1 . . . . . . . . 5067 1 134 . 1 1 11 11 GLY N N 15 109.15 0.05 . 1 . . . . . . . . 5067 1 135 . 1 1 12 12 GLY H H 1 8.95 0.01 . 1 . . . . . . . . 5067 1 136 . 1 1 12 12 GLY HA2 H 1 3.68 0.01 . 2 . . . . . . . . 5067 1 137 . 1 1 12 12 GLY HA3 H 1 3.96 0.01 . 2 . . . . . . . . 5067 1 138 . 1 1 12 12 GLY CA C 13 45.06 0.02 . 1 . . . . . . . . 5067 1 139 . 1 1 12 12 GLY N N 15 107.34 0.05 . 1 . . . . . . . . 5067 1 140 . 1 1 13 13 HIS H H 1 6.97 0.01 . 1 . . . . . . . . 5067 1 141 . 1 1 13 13 HIS HA H 1 4.48 0.01 . 1 . . . . . . . . 5067 1 142 . 1 1 13 13 HIS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5067 1 143 . 1 1 13 13 HIS HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5067 1 144 . 1 1 13 13 HIS HD2 H 1 7.54 0.01 . 1 . . . . . . . . 5067 1 145 . 1 1 13 13 HIS HE1 H 1 8.53 0.01 . 1 . . . . . . . . 5067 1 146 . 1 1 13 13 HIS CA C 13 55.84 0.02 . 1 . . . . . . . . 5067 1 147 . 1 1 13 13 HIS CB C 13 29.29 0.02 . 1 . . . . . . . . 5067 1 148 . 1 1 13 13 HIS CD2 C 13 120.77 0.02 . 1 . . . . . . . . 5067 1 149 . 1 1 13 13 HIS CE1 C 13 137.31 0.02 . 1 . . . . . . . . 5067 1 150 . 1 1 13 13 HIS N N 15 115.79 0.05 . 1 . . . . . . . . 5067 1 151 . 1 1 14 14 GLU H H 1 8.79 0.01 . 1 . . . . . . . . 5067 1 152 . 1 1 14 14 GLU HA H 1 4.60 0.01 . 1 . . . . . . . . 5067 1 153 . 1 1 14 14 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5067 1 154 . 1 1 14 14 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5067 1 155 . 1 1 14 14 GLU HG2 H 1 2.15 0.01 . 2 . . . . . . . . 5067 1 156 . 1 1 14 14 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5067 1 157 . 1 1 14 14 GLU CA C 13 54.84 0.02 . 1 . . . . . . . . 5067 1 158 . 1 1 14 14 GLU CB C 13 32.67 0.02 . 1 . . . . . . . . 5067 1 159 . 1 1 14 14 GLU CG C 13 36.22 0.02 . 1 . . . . . . . . 5067 1 160 . 1 1 14 14 GLU N N 15 120.76 0.05 . 1 . . . . . . . . 5067 1 161 . 1 1 15 15 ASN H H 1 8.80 0.01 . 1 . . . . . . . . 5067 1 162 . 1 1 15 15 ASN HA H 1 3.98 0.01 . 1 . . . . . . . . 5067 1 163 . 1 1 15 15 ASN HB2 H 1 2.63 0.01 . 2 . . . . . . . . 5067 1 164 . 1 1 15 15 ASN HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5067 1 165 . 1 1 15 15 ASN HD21 H 1 6.94 0.01 . 2 . . . . . . . . 5067 1 166 . 1 1 15 15 ASN HD22 H 1 7.66 0.01 . 2 . . . . . . . . 5067 1 167 . 1 1 15 15 ASN CA C 13 54.03 0.02 . 1 . . . . . . . . 5067 1 168 . 1 1 15 15 ASN CB C 13 37.23 0.02 . 1 . . . . . . . . 5067 1 169 . 1 1 15 15 ASN N N 15 118.00 0.05 . 1 . . . . . . . . 5067 1 170 . 1 1 15 15 ASN ND2 N 15 113.50 0.05 . 1 . . . . . . . . 5067 1 171 . 1 1 16 16 VAL H H 1 8.81 0.01 . 1 . . . . . . . . 5067 1 172 . 1 1 16 16 VAL HA H 1 4.32 0.01 . 1 . . . . . . . . 5067 1 173 . 1 1 16 16 VAL HB H 1 2.24 0.01 . 1 . . . . . . . . 5067 1 174 . 1 1 16 16 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 175 . 1 1 16 16 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 176 . 1 1 16 16 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 177 . 1 1 16 16 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 178 . 1 1 16 16 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 179 . 1 1 16 16 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 180 . 1 1 16 16 VAL CA C 13 60.77 0.02 . 1 . . . . . . . . 5067 1 181 . 1 1 16 16 VAL CB C 13 31.88 0.02 . 1 . . . . . . . . 5067 1 182 . 1 1 16 16 VAL CG1 C 13 23.63 0.02 . 2 . . . . . . . . 5067 1 183 . 1 1 16 16 VAL CG2 C 13 21.57 0.02 . 2 . . . . . . . . 5067 1 184 . 1 1 16 16 VAL N N 15 114.09 0.05 . 1 . . . . . . . . 5067 1 185 . 1 1 17 17 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 5067 1 186 . 1 1 17 17 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 5067 1 187 . 1 1 17 17 ASP HB2 H 1 2.39 0.01 . 2 . . . . . . . . 5067 1 188 . 1 1 17 17 ASP HB3 H 1 2.59 0.01 . 2 . . . . . . . . 5067 1 189 . 1 1 17 17 ASP CA C 13 55.46 0.02 . 1 . . . . . . . . 5067 1 190 . 1 1 17 17 ASP CB C 13 42.41 0.02 . 1 . . . . . . . . 5067 1 191 . 1 1 17 17 ASP N N 15 118.97 0.05 . 1 . . . . . . . . 5067 1 192 . 1 1 18 18 ILE H H 1 8.53 0.01 . 1 . . . . . . . . 5067 1 193 . 1 1 18 18 ILE HA H 1 4.27 0.01 . 1 . . . . . . . . 5067 1 194 . 1 1 18 18 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 5067 1 195 . 1 1 18 18 ILE HG12 H 1 0.65 0.01 . 2 . . . . . . . . 5067 1 196 . 1 1 18 18 ILE HG13 H 1 1.69 0.01 . 2 . . . . . . . . 5067 1 197 . 1 1 18 18 ILE HG21 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 198 . 1 1 18 18 ILE HG22 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 199 . 1 1 18 18 ILE HG23 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 200 . 1 1 18 18 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 5067 1 201 . 1 1 18 18 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 5067 1 202 . 1 1 18 18 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 5067 1 203 . 1 1 18 18 ILE CA C 13 62.10 0.02 . 1 . . . . . . . . 5067 1 204 . 1 1 18 18 ILE CB C 13 37.46 0.02 . 1 . . . . . . . . 5067 1 205 . 1 1 18 18 ILE CG1 C 13 27.23 0.02 . 1 . . . . . . . . 5067 1 206 . 1 1 18 18 ILE CG2 C 13 18.50 0.02 . 1 . . . . . . . . 5067 1 207 . 1 1 18 18 ILE CD1 C 13 14.19 0.02 . 1 . . . . . . . . 5067 1 208 . 1 1 18 18 ILE N N 15 119.26 0.05 . 1 . . . . . . . . 5067 1 209 . 1 1 19 19 ILE H H 1 8.63 0.01 . 1 . . . . . . . . 5067 1 210 . 1 1 19 19 ILE HA H 1 4.60 0.01 . 1 . . . . . . . . 5067 1 211 . 1 1 19 19 ILE HB H 1 2.00 0.01 . 1 . . . . . . . . 5067 1 212 . 1 1 19 19 ILE HG12 H 1 0.72 0.01 . 2 . . . . . . . . 5067 1 213 . 1 1 19 19 ILE HG13 H 1 1.07 0.01 . 2 . . . . . . . . 5067 1 214 . 1 1 19 19 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5067 1 215 . 1 1 19 19 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5067 1 216 . 1 1 19 19 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5067 1 217 . 1 1 19 19 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5067 1 218 . 1 1 19 19 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5067 1 219 . 1 1 19 19 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5067 1 220 . 1 1 19 19 ILE CA C 13 61.16 0.02 . 1 . . . . . . . . 5067 1 221 . 1 1 19 19 ILE CB C 13 39.24 0.02 . 1 . . . . . . . . 5067 1 222 . 1 1 19 19 ILE CG1 C 13 26.65 0.02 . 1 . . . . . . . . 5067 1 223 . 1 1 19 19 ILE CG2 C 13 18.63 0.02 . 1 . . . . . . . . 5067 1 224 . 1 1 19 19 ILE CD1 C 13 14.44 0.02 . 1 . . . . . . . . 5067 1 225 . 1 1 19 19 ILE N N 15 120.81 0.05 . 1 . . . . . . . . 5067 1 226 . 1 1 20 20 ALA H H 1 7.72 0.01 . 1 . . . . . . . . 5067 1 227 . 1 1 20 20 ALA HA H 1 4.44 0.01 . 1 . . . . . . . . 5067 1 228 . 1 1 20 20 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 5067 1 229 . 1 1 20 20 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 5067 1 230 . 1 1 20 20 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 5067 1 231 . 1 1 20 20 ALA CA C 13 52.79 0.02 . 1 . . . . . . . . 5067 1 232 . 1 1 20 20 ALA CB C 13 21.96 0.02 . 1 . . . . . . . . 5067 1 233 . 1 1 20 20 ALA N N 15 120.95 0.05 . 1 . . . . . . . . 5067 1 234 . 1 1 21 21 VAL H H 1 8.69 0.01 . 1 . . . . . . . . 5067 1 235 . 1 1 21 21 VAL HA H 1 4.36 0.01 . 1 . . . . . . . . 5067 1 236 . 1 1 21 21 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5067 1 237 . 1 1 21 21 VAL HG11 H 1 1.01 0.01 . 2 . . . . . . . . 5067 1 238 . 1 1 21 21 VAL HG12 H 1 1.01 0.01 . 2 . . . . . . . . 5067 1 239 . 1 1 21 21 VAL HG13 H 1 1.01 0.01 . 2 . . . . . . . . 5067 1 240 . 1 1 21 21 VAL HG21 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 241 . 1 1 21 21 VAL HG22 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 242 . 1 1 21 21 VAL HG23 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 243 . 1 1 21 21 VAL CA C 13 62.40 0.02 . 1 . . . . . . . . 5067 1 244 . 1 1 21 21 VAL CB C 13 33.37 0.02 . 1 . . . . . . . . 5067 1 245 . 1 1 21 21 VAL CG1 C 13 20.86 0.02 . 2 . . . . . . . . 5067 1 246 . 1 1 21 21 VAL CG2 C 13 21.08 0.02 . 2 . . . . . . . . 5067 1 247 . 1 1 21 21 VAL N N 15 120.38 0.05 . 1 . . . . . . . . 5067 1 248 . 1 1 22 22 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5067 1 249 . 1 1 22 22 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 5067 1 250 . 1 1 22 22 GLU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5067 1 251 . 1 1 22 22 GLU HB3 H 1 2.18 0.01 . 2 . . . . . . . . 5067 1 252 . 1 1 22 22 GLU HG2 H 1 2.10 0.01 . 1 . . . . . . . . 5067 1 253 . 1 1 22 22 GLU HG3 H 1 2.10 0.01 . 1 . . . . . . . . 5067 1 254 . 1 1 22 22 GLU CA C 13 57.49 0.02 . 1 . . . . . . . . 5067 1 255 . 1 1 22 22 GLU CB C 13 28.76 0.02 . 1 . . . . . . . . 5067 1 256 . 1 1 22 22 GLU CG C 13 34.19 0.02 . 1 . . . . . . . . 5067 1 257 . 1 1 22 22 GLU N N 15 123.61 0.05 . 1 . . . . . . . . 5067 1 258 . 1 1 23 23 VAL H H 1 6.89 0.01 . 1 . . . . . . . . 5067 1 259 . 1 1 23 23 VAL HA H 1 4.70 0.01 . 1 . . . . . . . . 5067 1 260 . 1 1 23 23 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5067 1 261 . 1 1 23 23 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 262 . 1 1 23 23 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 263 . 1 1 23 23 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5067 1 264 . 1 1 23 23 VAL HG21 H 1 0.83 0.01 . 2 . . . . . . . . 5067 1 265 . 1 1 23 23 VAL HG22 H 1 0.83 0.01 . 2 . . . . . . . . 5067 1 266 . 1 1 23 23 VAL HG23 H 1 0.83 0.01 . 2 . . . . . . . . 5067 1 267 . 1 1 23 23 VAL CA C 13 58.75 0.02 . 1 . . . . . . . . 5067 1 268 . 1 1 23 23 VAL CB C 13 35.14 0.02 . 1 . . . . . . . . 5067 1 269 . 1 1 23 23 VAL CG1 C 13 21.95 0.02 . 2 . . . . . . . . 5067 1 270 . 1 1 23 23 VAL CG2 C 13 18.90 0.02 . 2 . . . . . . . . 5067 1 271 . 1 1 23 23 VAL N N 15 107.13 0.05 . 1 . . . . . . . . 5067 1 272 . 1 1 24 24 ASN H H 1 8.56 0.01 . 1 . . . . . . . . 5067 1 273 . 1 1 24 24 ASN HA H 1 4.89 0.01 . 1 . . . . . . . . 5067 1 274 . 1 1 24 24 ASN HB2 H 1 2.56 0.01 . 1 . . . . . . . . 5067 1 275 . 1 1 24 24 ASN HB3 H 1 2.56 0.01 . 1 . . . . . . . . 5067 1 276 . 1 1 24 24 ASN HD21 H 1 6.89 0.01 . 2 . . . . . . . . 5067 1 277 . 1 1 24 24 ASN HD22 H 1 8.05 0.01 . 2 . . . . . . . . 5067 1 278 . 1 1 24 24 ASN CA C 13 51.07 0.02 . 1 . . . . . . . . 5067 1 279 . 1 1 24 24 ASN CB C 13 42.60 0.02 . 1 . . . . . . . . 5067 1 280 . 1 1 24 24 ASN N N 15 117.56 0.05 . 1 . . . . . . . . 5067 1 281 . 1 1 24 24 ASN ND2 N 15 114.69 0.05 . 1 . . . . . . . . 5067 1 282 . 1 1 25 25 VAL H H 1 8.61 0.01 . 1 . . . . . . . . 5067 1 283 . 1 1 25 25 VAL HA H 1 3.17 0.01 . 1 . . . . . . . . 5067 1 284 . 1 1 25 25 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 5067 1 285 . 1 1 25 25 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 286 . 1 1 25 25 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 287 . 1 1 25 25 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 288 . 1 1 25 25 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 289 . 1 1 25 25 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 290 . 1 1 25 25 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 291 . 1 1 25 25 VAL CA C 13 65.74 0.02 . 1 . . . . . . . . 5067 1 292 . 1 1 25 25 VAL CB C 13 31.37 0.02 . 1 . . . . . . . . 5067 1 293 . 1 1 25 25 VAL CG1 C 13 23.28 0.02 . 2 . . . . . . . . 5067 1 294 . 1 1 25 25 VAL CG2 C 13 21.08 0.02 . 2 . . . . . . . . 5067 1 295 . 1 1 25 25 VAL N N 15 118.93 0.05 . 1 . . . . . . . . 5067 1 296 . 1 1 26 26 GLY H H 1 9.10 0.01 . 1 . . . . . . . . 5067 1 297 . 1 1 26 26 GLY HA2 H 1 3.52 0.01 . 2 . . . . . . . . 5067 1 298 . 1 1 26 26 GLY HA3 H 1 4.42 0.01 . 2 . . . . . . . . 5067 1 299 . 1 1 26 26 GLY CA C 13 44.47 0.02 . 1 . . . . . . . . 5067 1 300 . 1 1 26 26 GLY N N 15 114.97 0.05 . 1 . . . . . . . . 5067 1 301 . 1 1 27 27 ASP H H 1 7.95 0.01 . 1 . . . . . . . . 5067 1 302 . 1 1 27 27 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 5067 1 303 . 1 1 27 27 ASP HB2 H 1 2.63 0.01 . 2 . . . . . . . . 5067 1 304 . 1 1 27 27 ASP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 5067 1 305 . 1 1 27 27 ASP CA C 13 55.09 0.02 . 1 . . . . . . . . 5067 1 306 . 1 1 27 27 ASP CB C 13 40.90 0.02 . 1 . . . . . . . . 5067 1 307 . 1 1 27 27 ASP N N 15 120.07 0.05 . 1 . . . . . . . . 5067 1 308 . 1 1 28 28 THR H H 1 8.74 0.01 . 1 . . . . . . . . 5067 1 309 . 1 1 28 28 THR HA H 1 4.84 0.01 . 1 . . . . . . . . 5067 1 310 . 1 1 28 28 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5067 1 311 . 1 1 28 28 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 312 . 1 1 28 28 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 313 . 1 1 28 28 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 314 . 1 1 28 28 THR CA C 13 62.71 0.02 . 1 . . . . . . . . 5067 1 315 . 1 1 28 28 THR CB C 13 69.07 0.02 . 1 . . . . . . . . 5067 1 316 . 1 1 28 28 THR CG2 C 13 21.57 0.02 . 1 . . . . . . . . 5067 1 317 . 1 1 28 28 THR N N 15 116.54 0.05 . 1 . . . . . . . . 5067 1 318 . 1 1 29 29 ILE H H 1 9.21 0.01 . 1 . . . . . . . . 5067 1 319 . 1 1 29 29 ILE HA H 1 4.76 0.01 . 1 . . . . . . . . 5067 1 320 . 1 1 29 29 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 5067 1 321 . 1 1 29 29 ILE HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 322 . 1 1 29 29 ILE HG13 H 1 1.45 0.01 . 2 . . . . . . . . 5067 1 323 . 1 1 29 29 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5067 1 324 . 1 1 29 29 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5067 1 325 . 1 1 29 29 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5067 1 326 . 1 1 29 29 ILE HD11 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 327 . 1 1 29 29 ILE HD12 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 328 . 1 1 29 29 ILE HD13 H 1 0.66 0.01 . 1 . . . . . . . . 5067 1 329 . 1 1 29 29 ILE CA C 13 59.06 0.02 . 1 . . . . . . . . 5067 1 330 . 1 1 29 29 ILE CB C 13 41.64 0.02 . 1 . . . . . . . . 5067 1 331 . 1 1 29 29 ILE CG1 C 13 24.83 0.02 . 1 . . . . . . . . 5067 1 332 . 1 1 29 29 ILE CG2 C 13 17.86 0.02 . 1 . . . . . . . . 5067 1 333 . 1 1 29 29 ILE CD1 C 13 15.09 0.02 . 1 . . . . . . . . 5067 1 334 . 1 1 29 29 ILE N N 15 120.06 0.05 . 1 . . . . . . . . 5067 1 335 . 1 1 30 30 ALA H H 1 8.93 0.01 . 1 . . . . . . . . 5067 1 336 . 1 1 30 30 ALA HA H 1 4.56 0.01 . 1 . . . . . . . . 5067 1 337 . 1 1 30 30 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 5067 1 338 . 1 1 30 30 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 5067 1 339 . 1 1 30 30 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5067 1 340 . 1 1 30 30 ALA CA C 13 49.11 0.02 . 1 . . . . . . . . 5067 1 341 . 1 1 30 30 ALA CB C 13 21.60 0.02 . 1 . . . . . . . . 5067 1 342 . 1 1 30 30 ALA N N 15 126.92 0.05 . 1 . . . . . . . . 5067 1 343 . 1 1 31 31 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 5067 1 344 . 1 1 31 31 VAL HA H 1 3.13 0.01 . 1 . . . . . . . . 5067 1 345 . 1 1 31 31 VAL HB H 1 1.72 0.01 . 1 . . . . . . . . 5067 1 346 . 1 1 31 31 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 347 . 1 1 31 31 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 348 . 1 1 31 31 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 349 . 1 1 31 31 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 350 . 1 1 31 31 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 351 . 1 1 31 31 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 352 . 1 1 31 31 VAL CA C 13 65.36 0.02 . 1 . . . . . . . . 5067 1 353 . 1 1 31 31 VAL CB C 13 30.95 0.02 . 1 . . . . . . . . 5067 1 354 . 1 1 31 31 VAL CG1 C 13 21.12 0.02 . 2 . . . . . . . . 5067 1 355 . 1 1 31 31 VAL CG2 C 13 23.07 0.02 . 2 . . . . . . . . 5067 1 356 . 1 1 31 31 VAL N N 15 117.70 0.05 . 1 . . . . . . . . 5067 1 357 . 1 1 32 32 ASP H H 1 9.17 0.01 . 1 . . . . . . . . 5067 1 358 . 1 1 32 32 ASP HA H 1 4.27 0.01 . 1 . . . . . . . . 5067 1 359 . 1 1 32 32 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5067 1 360 . 1 1 32 32 ASP HB3 H 1 3.26 0.01 . 2 . . . . . . . . 5067 1 361 . 1 1 32 32 ASP CA C 13 57.57 0.02 . 1 . . . . . . . . 5067 1 362 . 1 1 32 32 ASP CB C 13 38.76 0.02 . 1 . . . . . . . . 5067 1 363 . 1 1 32 32 ASP N N 15 117.71 0.05 . 1 . . . . . . . . 5067 1 364 . 1 1 33 33 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 5067 1 365 . 1 1 33 33 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 5067 1 366 . 1 1 33 33 ASP HB2 H 1 2.56 0.01 . 2 . . . . . . . . 5067 1 367 . 1 1 33 33 ASP HB3 H 1 2.79 0.01 . 2 . . . . . . . . 5067 1 368 . 1 1 33 33 ASP CA C 13 54.95 0.02 . 1 . . . . . . . . 5067 1 369 . 1 1 33 33 ASP CB C 13 40.39 0.02 . 1 . . . . . . . . 5067 1 370 . 1 1 33 33 ASP N N 15 121.60 0.05 . 1 . . . . . . . . 5067 1 371 . 1 1 34 34 THR H H 1 8.77 0.01 . 1 . . . . . . . . 5067 1 372 . 1 1 34 34 THR HA H 1 3.83 0.01 . 1 . . . . . . . . 5067 1 373 . 1 1 34 34 THR HB H 1 3.75 0.01 . 1 . . . . . . . . 5067 1 374 . 1 1 34 34 THR HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5067 1 375 . 1 1 34 34 THR HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5067 1 376 . 1 1 34 34 THR HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5067 1 377 . 1 1 34 34 THR CA C 13 64.38 0.02 . 1 . . . . . . . . 5067 1 378 . 1 1 34 34 THR CB C 13 68.76 0.02 . 1 . . . . . . . . 5067 1 379 . 1 1 34 34 THR CG2 C 13 23.01 0.02 . 1 . . . . . . . . 5067 1 380 . 1 1 34 34 THR N N 15 117.98 0.05 . 1 . . . . . . . . 5067 1 381 . 1 1 35 35 LEU H H 1 9.06 0.01 . 1 . . . . . . . . 5067 1 382 . 1 1 35 35 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 5067 1 383 . 1 1 35 35 LEU HB2 H 1 1.21 0.01 . 2 . . . . . . . . 5067 1 384 . 1 1 35 35 LEU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5067 1 385 . 1 1 35 35 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 5067 1 386 . 1 1 35 35 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 387 . 1 1 35 35 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 388 . 1 1 35 35 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 389 . 1 1 35 35 LEU HD21 H 1 0.75 0.01 . 2 . . . . . . . . 5067 1 390 . 1 1 35 35 LEU HD22 H 1 0.75 0.01 . 2 . . . . . . . . 5067 1 391 . 1 1 35 35 LEU HD23 H 1 0.75 0.01 . 2 . . . . . . . . 5067 1 392 . 1 1 35 35 LEU CA C 13 56.16 0.02 . 1 . . . . . . . . 5067 1 393 . 1 1 35 35 LEU CB C 13 45.57 0.02 . 1 . . . . . . . . 5067 1 394 . 1 1 35 35 LEU CG C 13 26.44 0.02 . 1 . . . . . . . . 5067 1 395 . 1 1 35 35 LEU CD1 C 13 27.37 0.02 . 2 . . . . . . . . 5067 1 396 . 1 1 35 35 LEU CD2 C 13 23.84 0.02 . 2 . . . . . . . . 5067 1 397 . 1 1 35 35 LEU N N 15 122.52 0.05 . 1 . . . . . . . . 5067 1 398 . 1 1 36 36 ILE H H 1 6.81 0.01 . 1 . . . . . . . . 5067 1 399 . 1 1 36 36 ILE HA H 1 5.08 0.01 . 1 . . . . . . . . 5067 1 400 . 1 1 36 36 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 5067 1 401 . 1 1 36 36 ILE HG12 H 1 1.31 0.01 . 1 . . . . . . . . 5067 1 402 . 1 1 36 36 ILE HG13 H 1 1.31 0.01 . 1 . . . . . . . . 5067 1 403 . 1 1 36 36 ILE HG21 H 1 0.96 0.01 . 1 . . . . . . . . 5067 1 404 . 1 1 36 36 ILE HG22 H 1 0.96 0.01 . 1 . . . . . . . . 5067 1 405 . 1 1 36 36 ILE HG23 H 1 0.96 0.01 . 1 . . . . . . . . 5067 1 406 . 1 1 36 36 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5067 1 407 . 1 1 36 36 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5067 1 408 . 1 1 36 36 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5067 1 409 . 1 1 36 36 ILE CA C 13 58.04 0.02 . 1 . . . . . . . . 5067 1 410 . 1 1 36 36 ILE CB C 13 43.76 0.02 . 1 . . . . . . . . 5067 1 411 . 1 1 36 36 ILE CG1 C 13 24.81 0.02 . 1 . . . . . . . . 5067 1 412 . 1 1 36 36 ILE CG2 C 13 20.17 0.02 . 1 . . . . . . . . 5067 1 413 . 1 1 36 36 ILE CD1 C 13 14.89 0.02 . 1 . . . . . . . . 5067 1 414 . 1 1 36 36 ILE N N 15 104.35 0.05 . 1 . . . . . . . . 5067 1 415 . 1 1 37 37 THR H H 1 8.44 0.01 . 1 . . . . . . . . 5067 1 416 . 1 1 37 37 THR HA H 1 5.23 0.01 . 1 . . . . . . . . 5067 1 417 . 1 1 37 37 THR HB H 1 3.60 0.01 . 1 . . . . . . . . 5067 1 418 . 1 1 37 37 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5067 1 419 . 1 1 37 37 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5067 1 420 . 1 1 37 37 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5067 1 421 . 1 1 37 37 THR CA C 13 62.13 0.02 . 1 . . . . . . . . 5067 1 422 . 1 1 37 37 THR CB C 13 71.32 0.02 . 1 . . . . . . . . 5067 1 423 . 1 1 37 37 THR CG2 C 13 21.85 0.02 . 1 . . . . . . . . 5067 1 424 . 1 1 37 37 THR N N 15 115.84 0.05 . 1 . . . . . . . . 5067 1 425 . 1 1 38 38 LEU H H 1 9.37 0.01 . 1 . . . . . . . . 5067 1 426 . 1 1 38 38 LEU HA H 1 5.36 0.01 . 1 . . . . . . . . 5067 1 427 . 1 1 38 38 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 5067 1 428 . 1 1 38 38 LEU HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5067 1 429 . 1 1 38 38 LEU HG H 1 1.61 0.01 . 1 . . . . . . . . 5067 1 430 . 1 1 38 38 LEU HD11 H 1 0.72 0.01 . 2 . . . . . . . . 5067 1 431 . 1 1 38 38 LEU HD12 H 1 0.72 0.01 . 2 . . . . . . . . 5067 1 432 . 1 1 38 38 LEU HD13 H 1 0.72 0.01 . 2 . . . . . . . . 5067 1 433 . 1 1 38 38 LEU HD21 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 434 . 1 1 38 38 LEU HD22 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 435 . 1 1 38 38 LEU HD23 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 436 . 1 1 38 38 LEU CA C 13 52.24 0.02 . 1 . . . . . . . . 5067 1 437 . 1 1 38 38 LEU CB C 13 44.37 0.02 . 1 . . . . . . . . 5067 1 438 . 1 1 38 38 LEU CG C 13 26.73 0.02 . 1 . . . . . . . . 5067 1 439 . 1 1 38 38 LEU CD1 C 13 25.59 0.02 . 2 . . . . . . . . 5067 1 440 . 1 1 38 38 LEU CD2 C 13 24.96 0.02 . 2 . . . . . . . . 5067 1 441 . 1 1 38 38 LEU N N 15 125.10 0.05 . 1 . . . . . . . . 5067 1 442 . 1 1 39 39 GLU H H 1 8.74 0.01 . 1 . . . . . . . . 5067 1 443 . 1 1 39 39 GLU HA H 1 4.97 0.01 . 1 . . . . . . . . 5067 1 444 . 1 1 39 39 GLU HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5067 1 445 . 1 1 39 39 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5067 1 446 . 1 1 39 39 GLU HG2 H 1 2.11 0.01 . 2 . . . . . . . . 5067 1 447 . 1 1 39 39 GLU HG3 H 1 2.22 0.01 . 2 . . . . . . . . 5067 1 448 . 1 1 39 39 GLU CA C 13 55.55 0.02 . 1 . . . . . . . . 5067 1 449 . 1 1 39 39 GLU CB C 13 33.21 0.02 . 1 . . . . . . . . 5067 1 450 . 1 1 39 39 GLU CG C 13 35.98 0.02 . 1 . . . . . . . . 5067 1 451 . 1 1 39 39 GLU N N 15 119.77 0.05 . 1 . . . . . . . . 5067 1 452 . 1 1 40 40 THR H H 1 8.47 0.01 . 1 . . . . . . . . 5067 1 453 . 1 1 40 40 THR HA H 1 4.53 0.01 . 1 . . . . . . . . 5067 1 454 . 1 1 40 40 THR HB H 1 4.08 0.01 . 1 . . . . . . . . 5067 1 455 . 1 1 40 40 THR HG21 H 1 0.84 0.01 . 1 . . . . . . . . 5067 1 456 . 1 1 40 40 THR HG22 H 1 0.84 0.01 . 1 . . . . . . . . 5067 1 457 . 1 1 40 40 THR HG23 H 1 0.84 0.01 . 1 . . . . . . . . 5067 1 458 . 1 1 40 40 THR CA C 13 59.41 0.02 . 1 . . . . . . . . 5067 1 459 . 1 1 40 40 THR CB C 13 69.62 0.02 . 1 . . . . . . . . 5067 1 460 . 1 1 40 40 THR CG2 C 13 20.47 0.02 . 1 . . . . . . . . 5067 1 461 . 1 1 40 40 THR N N 15 116.30 0.05 . 1 . . . . . . . . 5067 1 462 . 1 1 41 41 ASP H H 1 8.87 0.01 . 1 . . . . . . . . 5067 1 463 . 1 1 41 41 ASP HA H 1 4.28 0.01 . 1 . . . . . . . . 5067 1 464 . 1 1 41 41 ASP HB2 H 1 2.61 0.01 . 2 . . . . . . . . 5067 1 465 . 1 1 41 41 ASP HB3 H 1 2.79 0.01 . 2 . . . . . . . . 5067 1 466 . 1 1 41 41 ASP CA C 13 55.89 0.02 . 1 . . . . . . . . 5067 1 467 . 1 1 41 41 ASP CB C 13 39.64 0.02 . 1 . . . . . . . . 5067 1 468 . 1 1 41 41 ASP N N 15 119.94 0.05 . 1 . . . . . . . . 5067 1 469 . 1 1 42 42 LYS H H 1 8.25 0.01 . 1 . . . . . . . . 5067 1 470 . 1 1 42 42 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 5067 1 471 . 1 1 42 42 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5067 1 472 . 1 1 42 42 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5067 1 473 . 1 1 42 42 LYS HG2 H 1 1.33 0.01 . 2 . . . . . . . . 5067 1 474 . 1 1 42 42 LYS HG3 H 1 1.38 0.01 . 2 . . . . . . . . 5067 1 475 . 1 1 42 42 LYS HD2 H 1 1.62 0.01 . 2 . . . . . . . . 5067 1 476 . 1 1 42 42 LYS HD3 H 1 1.66 0.01 . 2 . . . . . . . . 5067 1 477 . 1 1 42 42 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 5067 1 478 . 1 1 42 42 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 5067 1 479 . 1 1 42 42 LYS CA C 13 56.39 0.02 . 1 . . . . . . . . 5067 1 480 . 1 1 42 42 LYS CB C 13 32.64 0.02 . 1 . . . . . . . . 5067 1 481 . 1 1 42 42 LYS CG C 13 24.58 0.02 . 1 . . . . . . . . 5067 1 482 . 1 1 42 42 LYS CD C 13 28.70 0.02 . 1 . . . . . . . . 5067 1 483 . 1 1 42 42 LYS CE C 13 42.03 0.02 . 1 . . . . . . . . 5067 1 484 . 1 1 42 42 LYS N N 15 113.30 0.05 . 1 . . . . . . . . 5067 1 485 . 1 1 43 43 ALA H H 1 7.79 0.01 . 1 . . . . . . . . 5067 1 486 . 1 1 43 43 ALA HA H 1 4.66 0.01 . 1 . . . . . . . . 5067 1 487 . 1 1 43 43 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 5067 1 488 . 1 1 43 43 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5067 1 489 . 1 1 43 43 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 5067 1 490 . 1 1 43 43 ALA CA C 13 51.55 0.02 . 1 . . . . . . . . 5067 1 491 . 1 1 43 43 ALA CB C 13 21.48 0.02 . 1 . . . . . . . . 5067 1 492 . 1 1 43 43 ALA N N 15 121.20 0.05 . 1 . . . . . . . . 5067 1 493 . 1 1 44 44 THR H H 1 8.09 0.01 . 1 . . . . . . . . 5067 1 494 . 1 1 44 44 THR HA H 1 5.27 0.01 . 1 . . . . . . . . 5067 1 495 . 1 1 44 44 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 5067 1 496 . 1 1 44 44 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 497 . 1 1 44 44 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 498 . 1 1 44 44 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5067 1 499 . 1 1 44 44 THR CA C 13 60.20 0.02 . 1 . . . . . . . . 5067 1 500 . 1 1 44 44 THR CB C 13 70.98 0.02 . 1 . . . . . . . . 5067 1 501 . 1 1 44 44 THR CG2 C 13 21.94 0.02 . 1 . . . . . . . . 5067 1 502 . 1 1 44 44 THR N N 15 109.78 0.05 . 1 . . . . . . . . 5067 1 503 . 1 1 45 45 MET H H 1 8.90 0.01 . 1 . . . . . . . . 5067 1 504 . 1 1 45 45 MET HA H 1 4.68 0.01 . 1 . . . . . . . . 5067 1 505 . 1 1 45 45 MET HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5067 1 506 . 1 1 45 45 MET HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5067 1 507 . 1 1 45 45 MET HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5067 1 508 . 1 1 45 45 MET HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5067 1 509 . 1 1 45 45 MET HE1 H 1 1.98 0.01 . 1 . . . . . . . . 5067 1 510 . 1 1 45 45 MET HE2 H 1 1.98 0.01 . 1 . . . . . . . . 5067 1 511 . 1 1 45 45 MET HE3 H 1 1.98 0.01 . 1 . . . . . . . . 5067 1 512 . 1 1 45 45 MET CA C 13 54.87 0.02 . 1 . . . . . . . . 5067 1 513 . 1 1 45 45 MET CB C 13 36.37 0.02 . 1 . . . . . . . . 5067 1 514 . 1 1 45 45 MET CG C 13 31.52 0.02 . 1 . . . . . . . . 5067 1 515 . 1 1 45 45 MET CE C 13 17.37 0.02 . 1 . . . . . . . . 5067 1 516 . 1 1 45 45 MET N N 15 119.08 0.05 . 1 . . . . . . . . 5067 1 517 . 1 1 46 46 ASP H H 1 8.89 0.01 . 1 . . . . . . . . 5067 1 518 . 1 1 46 46 ASP HA H 1 5.18 0.01 . 1 . . . . . . . . 5067 1 519 . 1 1 46 46 ASP HB2 H 1 2.51 0.01 . 1 . . . . . . . . 5067 1 520 . 1 1 46 46 ASP HB3 H 1 2.51 0.01 . 1 . . . . . . . . 5067 1 521 . 1 1 46 46 ASP CA C 13 53.52 0.02 . 1 . . . . . . . . 5067 1 522 . 1 1 46 46 ASP CB C 13 41.60 0.02 . 1 . . . . . . . . 5067 1 523 . 1 1 46 46 ASP N N 15 125.30 0.05 . 1 . . . . . . . . 5067 1 524 . 1 1 47 47 VAL H H 1 8.78 0.01 . 1 . . . . . . . . 5067 1 525 . 1 1 47 47 VAL HA H 1 4.47 0.01 . 1 . . . . . . . . 5067 1 526 . 1 1 47 47 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5067 1 527 . 1 1 47 47 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 528 . 1 1 47 47 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 529 . 1 1 47 47 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 530 . 1 1 47 47 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 531 . 1 1 47 47 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 532 . 1 1 47 47 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 5067 1 533 . 1 1 47 47 VAL CA C 13 59.55 0.02 . 1 . . . . . . . . 5067 1 534 . 1 1 47 47 VAL CB C 13 33.07 0.02 . 1 . . . . . . . . 5067 1 535 . 1 1 47 47 VAL CG1 C 13 21.50 0.02 . 2 . . . . . . . . 5067 1 536 . 1 1 47 47 VAL CG2 C 13 21.37 0.02 . 2 . . . . . . . . 5067 1 537 . 1 1 47 47 VAL N N 15 121.98 0.05 . 1 . . . . . . . . 5067 1 538 . 1 1 48 48 PRO HA H 1 4.93 0.01 . 1 . . . . . . . . 5067 1 539 . 1 1 48 48 PRO HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5067 1 540 . 1 1 48 48 PRO HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5067 1 541 . 1 1 48 48 PRO HG2 H 1 2.03 0.01 . 1 . . . . . . . . 5067 1 542 . 1 1 48 48 PRO HG3 H 1 2.03 0.01 . 1 . . . . . . . . 5067 1 543 . 1 1 48 48 PRO HD2 H 1 3.81 0.01 . 2 . . . . . . . . 5067 1 544 . 1 1 48 48 PRO HD3 H 1 3.99 0.01 . 2 . . . . . . . . 5067 1 545 . 1 1 48 48 PRO CA C 13 60.95 0.02 . 1 . . . . . . . . 5067 1 546 . 1 1 48 48 PRO CB C 13 33.10 0.02 . 1 . . . . . . . . 5067 1 547 . 1 1 48 48 PRO CG C 13 26.29 0.02 . 1 . . . . . . . . 5067 1 548 . 1 1 48 48 PRO CD C 13 51.40 0.02 . 1 . . . . . . . . 5067 1 549 . 1 1 49 49 ALA H H 1 9.13 0.01 . 1 . . . . . . . . 5067 1 550 . 1 1 49 49 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 5067 1 551 . 1 1 49 49 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 552 . 1 1 49 49 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 553 . 1 1 49 49 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5067 1 554 . 1 1 49 49 ALA CA C 13 52.04 0.02 . 1 . . . . . . . . 5067 1 555 . 1 1 49 49 ALA CB C 13 19.55 0.02 . 1 . . . . . . . . 5067 1 556 . 1 1 49 49 ALA N N 15 120.84 0.05 . 1 . . . . . . . . 5067 1 557 . 1 1 50 50 GLU H H 1 9.07 0.01 . 1 . . . . . . . . 5067 1 558 . 1 1 50 50 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 5067 1 559 . 1 1 50 50 GLU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5067 1 560 . 1 1 50 50 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . 5067 1 561 . 1 1 50 50 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 5067 1 562 . 1 1 50 50 GLU HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5067 1 563 . 1 1 50 50 GLU CA C 13 56.97 0.02 . 1 . . . . . . . . 5067 1 564 . 1 1 50 50 GLU CB C 13 30.89 0.02 . 1 . . . . . . . . 5067 1 565 . 1 1 50 50 GLU CG C 13 36.45 0.02 . 1 . . . . . . . . 5067 1 566 . 1 1 50 50 GLU N N 15 120.58 0.05 . 1 . . . . . . . . 5067 1 567 . 1 1 51 51 VAL H H 1 7.00 0.01 . 1 . . . . . . . . 5067 1 568 . 1 1 51 51 VAL HA H 1 4.14 0.01 . 1 . . . . . . . . 5067 1 569 . 1 1 51 51 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 5067 1 570 . 1 1 51 51 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 571 . 1 1 51 51 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 572 . 1 1 51 51 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 5067 1 573 . 1 1 51 51 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 574 . 1 1 51 51 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 575 . 1 1 51 51 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 576 . 1 1 51 51 VAL CA C 13 60.01 0.02 . 1 . . . . . . . . 5067 1 577 . 1 1 51 51 VAL CB C 13 35.98 0.02 . 1 . . . . . . . . 5067 1 578 . 1 1 51 51 VAL CG1 C 13 21.14 0.02 . 2 . . . . . . . . 5067 1 579 . 1 1 51 51 VAL CG2 C 13 20.93 0.02 . 2 . . . . . . . . 5067 1 580 . 1 1 51 51 VAL N N 15 113.14 0.05 . 1 . . . . . . . . 5067 1 581 . 1 1 52 52 ALA H H 1 7.89 0.01 . 1 . . . . . . . . 5067 1 582 . 1 1 52 52 ALA HA H 1 4.39 0.01 . 1 . . . . . . . . 5067 1 583 . 1 1 52 52 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 5067 1 584 . 1 1 52 52 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5067 1 585 . 1 1 52 52 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5067 1 586 . 1 1 52 52 ALA CA C 13 49.84 0.02 . 1 . . . . . . . . 5067 1 587 . 1 1 52 52 ALA CB C 13 21.20 0.02 . 1 . . . . . . . . 5067 1 588 . 1 1 52 52 ALA N N 15 120.49 0.05 . 1 . . . . . . . . 5067 1 589 . 1 1 53 53 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 5067 1 590 . 1 1 53 53 GLY HA2 H 1 3.92 0.01 . 2 . . . . . . . . 5067 1 591 . 1 1 53 53 GLY HA3 H 1 4.54 0.01 . 2 . . . . . . . . 5067 1 592 . 1 1 53 53 GLY CA C 13 45.17 0.02 . 1 . . . . . . . . 5067 1 593 . 1 1 53 53 GLY N N 15 104.04 0.05 . 1 . . . . . . . . 5067 1 594 . 1 1 54 54 VAL H H 1 7.90 0.01 . 1 . . . . . . . . 5067 1 595 . 1 1 54 54 VAL HA H 1 4.82 0.01 . 1 . . . . . . . . 5067 1 596 . 1 1 54 54 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 5067 1 597 . 1 1 54 54 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 5067 1 598 . 1 1 54 54 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 5067 1 599 . 1 1 54 54 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 5067 1 600 . 1 1 54 54 VAL HG21 H 1 0.74 0.01 . 2 . . . . . . . . 5067 1 601 . 1 1 54 54 VAL HG22 H 1 0.74 0.01 . 2 . . . . . . . . 5067 1 602 . 1 1 54 54 VAL HG23 H 1 0.74 0.01 . 2 . . . . . . . . 5067 1 603 . 1 1 54 54 VAL CA C 13 60.65 0.02 . 1 . . . . . . . . 5067 1 604 . 1 1 54 54 VAL CB C 13 34.30 0.02 . 1 . . . . . . . . 5067 1 605 . 1 1 54 54 VAL CG1 C 13 21.48 0.02 . 2 . . . . . . . . 5067 1 606 . 1 1 54 54 VAL CG2 C 13 20.64 0.02 . 2 . . . . . . . . 5067 1 607 . 1 1 54 54 VAL N N 15 117.75 0.05 . 1 . . . . . . . . 5067 1 608 . 1 1 55 55 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 5067 1 609 . 1 1 55 55 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 5067 1 610 . 1 1 55 55 VAL HB H 1 2.35 0.01 . 1 . . . . . . . . 5067 1 611 . 1 1 55 55 VAL HG11 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 612 . 1 1 55 55 VAL HG12 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 613 . 1 1 55 55 VAL HG13 H 1 0.66 0.01 . 2 . . . . . . . . 5067 1 614 . 1 1 55 55 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 615 . 1 1 55 55 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 616 . 1 1 55 55 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 5067 1 617 . 1 1 55 55 VAL CA C 13 64.76 0.02 . 1 . . . . . . . . 5067 1 618 . 1 1 55 55 VAL CB C 13 31.44 0.02 . 1 . . . . . . . . 5067 1 619 . 1 1 55 55 VAL CG1 C 13 22.87 0.02 . 2 . . . . . . . . 5067 1 620 . 1 1 55 55 VAL CG2 C 13 22.29 0.02 . 2 . . . . . . . . 5067 1 621 . 1 1 55 55 VAL N N 15 126.11 0.05 . 1 . . . . . . . . 5067 1 622 . 1 1 56 56 LYS H H 1 9.32 0.01 . 1 . . . . . . . . 5067 1 623 . 1 1 56 56 LYS HA H 1 4.55 0.01 . 1 . . . . . . . . 5067 1 624 . 1 1 56 56 LYS HB2 H 1 1.56 0.01 . 2 . . . . . . . . 5067 1 625 . 1 1 56 56 LYS HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5067 1 626 . 1 1 56 56 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 5067 1 627 . 1 1 56 56 LYS HG3 H 1 1.56 0.01 . 2 . . . . . . . . 5067 1 628 . 1 1 56 56 LYS HD2 H 1 1.57 0.01 . 2 . . . . . . . . 5067 1 629 . 1 1 56 56 LYS HD3 H 1 1.65 0.01 . 2 . . . . . . . . 5067 1 630 . 1 1 56 56 LYS HE2 H 1 2.81 0.01 . 2 . . . . . . . . 5067 1 631 . 1 1 56 56 LYS HE3 H 1 2.99 0.01 . 2 . . . . . . . . 5067 1 632 . 1 1 56 56 LYS CA C 13 55.23 0.02 . 1 . . . . . . . . 5067 1 633 . 1 1 56 56 LYS CB C 13 33.05 0.02 . 1 . . . . . . . . 5067 1 634 . 1 1 56 56 LYS CG C 13 23.96 0.02 . 1 . . . . . . . . 5067 1 635 . 1 1 56 56 LYS CD C 13 27.29 0.02 . 1 . . . . . . . . 5067 1 636 . 1 1 56 56 LYS CE C 13 41.54 0.02 . 1 . . . . . . . . 5067 1 637 . 1 1 56 56 LYS N N 15 128.82 0.05 . 1 . . . . . . . . 5067 1 638 . 1 1 57 57 GLU H H 1 7.71 0.01 . 1 . . . . . . . . 5067 1 639 . 1 1 57 57 GLU HA H 1 4.54 0.01 . 1 . . . . . . . . 5067 1 640 . 1 1 57 57 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 5067 1 641 . 1 1 57 57 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 5067 1 642 . 1 1 57 57 GLU HG2 H 1 1.71 0.01 . 2 . . . . . . . . 5067 1 643 . 1 1 57 57 GLU HG3 H 1 1.85 0.01 . 2 . . . . . . . . 5067 1 644 . 1 1 57 57 GLU CA C 13 55.66 0.02 . 1 . . . . . . . . 5067 1 645 . 1 1 57 57 GLU CB C 13 36.05 0.02 . 1 . . . . . . . . 5067 1 646 . 1 1 57 57 GLU CG C 13 34.73 0.02 . 1 . . . . . . . . 5067 1 647 . 1 1 57 57 GLU N N 15 113.69 0.05 . 1 . . . . . . . . 5067 1 648 . 1 1 58 58 VAL H H 1 9.06 0.01 . 1 . . . . . . . . 5067 1 649 . 1 1 58 58 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 5067 1 650 . 1 1 58 58 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5067 1 651 . 1 1 58 58 VAL HG11 H 1 1.09 0.01 . 2 . . . . . . . . 5067 1 652 . 1 1 58 58 VAL HG12 H 1 1.09 0.01 . 2 . . . . . . . . 5067 1 653 . 1 1 58 58 VAL HG13 H 1 1.09 0.01 . 2 . . . . . . . . 5067 1 654 . 1 1 58 58 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 655 . 1 1 58 58 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 656 . 1 1 58 58 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 5067 1 657 . 1 1 58 58 VAL CA C 13 62.21 0.02 . 1 . . . . . . . . 5067 1 658 . 1 1 58 58 VAL CB C 13 33.29 0.02 . 1 . . . . . . . . 5067 1 659 . 1 1 58 58 VAL CG1 C 13 21.36 0.02 . 2 . . . . . . . . 5067 1 660 . 1 1 58 58 VAL CG2 C 13 21.61 0.02 . 2 . . . . . . . . 5067 1 661 . 1 1 58 58 VAL N N 15 123.03 0.05 . 1 . . . . . . . . 5067 1 662 . 1 1 59 59 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 5067 1 663 . 1 1 59 59 LYS HA H 1 4.45 0.01 . 1 . . . . . . . . 5067 1 664 . 1 1 59 59 LYS HB2 H 1 1.51 0.01 . 2 . . . . . . . . 5067 1 665 . 1 1 59 59 LYS HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5067 1 666 . 1 1 59 59 LYS HG2 H 1 1.04 0.01 . 2 . . . . . . . . 5067 1 667 . 1 1 59 59 LYS HG3 H 1 1.23 0.01 . 2 . . . . . . . . 5067 1 668 . 1 1 59 59 LYS HD2 H 1 1.49 0.01 . 2 . . . . . . . . 5067 1 669 . 1 1 59 59 LYS HD3 H 1 1.58 0.01 . 2 . . . . . . . . 5067 1 670 . 1 1 59 59 LYS HE2 H 1 2.71 0.01 . 2 . . . . . . . . 5067 1 671 . 1 1 59 59 LYS HE3 H 1 2.92 0.01 . 2 . . . . . . . . 5067 1 672 . 1 1 59 59 LYS CA C 13 54.86 0.02 . 1 . . . . . . . . 5067 1 673 . 1 1 59 59 LYS CB C 13 31.53 0.02 . 1 . . . . . . . . 5067 1 674 . 1 1 59 59 LYS CG C 13 23.82 0.02 . 1 . . . . . . . . 5067 1 675 . 1 1 59 59 LYS CD C 13 27.24 0.02 . 1 . . . . . . . . 5067 1 676 . 1 1 59 59 LYS CE C 13 41.51 0.02 . 1 . . . . . . . . 5067 1 677 . 1 1 59 59 LYS N N 15 121.99 0.05 . 1 . . . . . . . . 5067 1 678 . 1 1 60 60 VAL H H 1 6.84 0.01 . 1 . . . . . . . . 5067 1 679 . 1 1 60 60 VAL HA H 1 4.79 0.01 . 1 . . . . . . . . 5067 1 680 . 1 1 60 60 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5067 1 681 . 1 1 60 60 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 682 . 1 1 60 60 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 683 . 1 1 60 60 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5067 1 684 . 1 1 60 60 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 5067 1 685 . 1 1 60 60 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 5067 1 686 . 1 1 60 60 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 5067 1 687 . 1 1 60 60 VAL CA C 13 58.23 0.02 . 1 . . . . . . . . 5067 1 688 . 1 1 60 60 VAL CB C 13 35.97 0.02 . 1 . . . . . . . . 5067 1 689 . 1 1 60 60 VAL CG1 C 13 23.31 0.02 . 2 . . . . . . . . 5067 1 690 . 1 1 60 60 VAL CG2 C 13 18.12 0.02 . 2 . . . . . . . . 5067 1 691 . 1 1 60 60 VAL N N 15 106.05 0.05 . 1 . . . . . . . . 5067 1 692 . 1 1 61 61 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 5067 1 693 . 1 1 61 61 LYS HA H 1 4.54 0.01 . 1 . . . . . . . . 5067 1 694 . 1 1 61 61 LYS HB2 H 1 1.69 0.01 . 1 . . . . . . . . 5067 1 695 . 1 1 61 61 LYS HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5067 1 696 . 1 1 61 61 LYS HG2 H 1 1.18 0.01 . 2 . . . . . . . . 5067 1 697 . 1 1 61 61 LYS HG3 H 1 1.45 0.01 . 2 . . . . . . . . 5067 1 698 . 1 1 61 61 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5067 1 699 . 1 1 61 61 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5067 1 700 . 1 1 61 61 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 5067 1 701 . 1 1 61 61 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 5067 1 702 . 1 1 61 61 LYS CA C 13 54.09 0.02 . 1 . . . . . . . . 5067 1 703 . 1 1 61 61 LYS CB C 13 36.20 0.02 . 1 . . . . . . . . 5067 1 704 . 1 1 61 61 LYS CG C 13 23.54 0.02 . 1 . . . . . . . . 5067 1 705 . 1 1 61 61 LYS CD C 13 29.10 0.02 . 1 . . . . . . . . 5067 1 706 . 1 1 61 61 LYS CE C 13 42.01 0.02 . 1 . . . . . . . . 5067 1 707 . 1 1 61 61 LYS N N 15 117.13 0.05 . 1 . . . . . . . . 5067 1 708 . 1 1 62 62 VAL H H 1 8.30 0.01 . 1 . . . . . . . . 5067 1 709 . 1 1 62 62 VAL HA H 1 3.25 0.01 . 1 . . . . . . . . 5067 1 710 . 1 1 62 62 VAL HB H 1 1.86 0.01 . 1 . . . . . . . . 5067 1 711 . 1 1 62 62 VAL HG11 H 1 0.93 0.01 . 2 . . . . . . . . 5067 1 712 . 1 1 62 62 VAL HG12 H 1 0.93 0.01 . 2 . . . . . . . . 5067 1 713 . 1 1 62 62 VAL HG13 H 1 0.93 0.01 . 2 . . . . . . . . 5067 1 714 . 1 1 62 62 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 715 . 1 1 62 62 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 716 . 1 1 62 62 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 5067 1 717 . 1 1 62 62 VAL CA C 13 65.42 0.02 . 1 . . . . . . . . 5067 1 718 . 1 1 62 62 VAL CB C 13 31.43 0.02 . 1 . . . . . . . . 5067 1 719 . 1 1 62 62 VAL CG1 C 13 23.37 0.02 . 2 . . . . . . . . 5067 1 720 . 1 1 62 62 VAL CG2 C 13 21.22 0.02 . 2 . . . . . . . . 5067 1 721 . 1 1 62 62 VAL N N 15 118.44 0.05 . 1 . . . . . . . . 5067 1 722 . 1 1 63 63 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 5067 1 723 . 1 1 63 63 GLY HA2 H 1 3.73 0.01 . 2 . . . . . . . . 5067 1 724 . 1 1 63 63 GLY HA3 H 1 4.45 0.01 . 2 . . . . . . . . 5067 1 725 . 1 1 63 63 GLY CA C 13 44.51 0.02 . 1 . . . . . . . . 5067 1 726 . 1 1 63 63 GLY N N 15 115.16 0.05 . 1 . . . . . . . . 5067 1 727 . 1 1 64 64 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 5067 1 728 . 1 1 64 64 ASP HA H 1 4.62 0.01 . 1 . . . . . . . . 5067 1 729 . 1 1 64 64 ASP HB2 H 1 2.66 0.01 . 2 . . . . . . . . 5067 1 730 . 1 1 64 64 ASP HB3 H 1 2.98 0.01 . 2 . . . . . . . . 5067 1 731 . 1 1 64 64 ASP CA C 13 54.93 0.02 . 1 . . . . . . . . 5067 1 732 . 1 1 64 64 ASP CB C 13 41.87 0.02 . 1 . . . . . . . . 5067 1 733 . 1 1 64 64 ASP N N 15 120.52 0.05 . 1 . . . . . . . . 5067 1 734 . 1 1 65 65 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 5067 1 735 . 1 1 65 65 LYS HA H 1 5.29 0.01 . 1 . . . . . . . . 5067 1 736 . 1 1 65 65 LYS HB2 H 1 1.19 0.01 . 2 . . . . . . . . 5067 1 737 . 1 1 65 65 LYS HB3 H 1 1.57 0.01 . 2 . . . . . . . . 5067 1 738 . 1 1 65 65 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 5067 1 739 . 1 1 65 65 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5067 1 740 . 1 1 65 65 LYS HD2 H 1 1.54 0.01 . 1 . . . . . . . . 5067 1 741 . 1 1 65 65 LYS HD3 H 1 1.54 0.01 . 1 . . . . . . . . 5067 1 742 . 1 1 65 65 LYS HE2 H 1 2.95 0.01 . 2 . . . . . . . . 5067 1 743 . 1 1 65 65 LYS HE3 H 1 3.01 0.01 . 2 . . . . . . . . 5067 1 744 . 1 1 65 65 LYS CA C 13 54.04 0.02 . 1 . . . . . . . . 5067 1 745 . 1 1 65 65 LYS CB C 13 35.15 0.02 . 1 . . . . . . . . 5067 1 746 . 1 1 65 65 LYS CG C 13 25.34 0.02 . 1 . . . . . . . . 5067 1 747 . 1 1 65 65 LYS CD C 13 29.00 0.02 . 1 . . . . . . . . 5067 1 748 . 1 1 65 65 LYS CE C 13 42.42 0.02 . 1 . . . . . . . . 5067 1 749 . 1 1 65 65 LYS N N 15 115.65 0.05 . 1 . . . . . . . . 5067 1 750 . 1 1 66 66 ILE H H 1 9.22 0.01 . 1 . . . . . . . . 5067 1 751 . 1 1 66 66 ILE HA H 1 4.68 0.01 . 1 . . . . . . . . 5067 1 752 . 1 1 66 66 ILE HB H 1 1.47 0.01 . 1 . . . . . . . . 5067 1 753 . 1 1 66 66 ILE HG12 H 1 1.56 0.01 . 2 . . . . . . . . 5067 1 754 . 1 1 66 66 ILE HG13 H 1 1.86 0.01 . 2 . . . . . . . . 5067 1 755 . 1 1 66 66 ILE HG21 H 1 0.64 0.01 . 1 . . . . . . . . 5067 1 756 . 1 1 66 66 ILE HG22 H 1 0.64 0.01 . 1 . . . . . . . . 5067 1 757 . 1 1 66 66 ILE HG23 H 1 0.64 0.01 . 1 . . . . . . . . 5067 1 758 . 1 1 66 66 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 5067 1 759 . 1 1 66 66 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 5067 1 760 . 1 1 66 66 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 5067 1 761 . 1 1 66 66 ILE CA C 13 61.32 0.02 . 1 . . . . . . . . 5067 1 762 . 1 1 66 66 ILE CB C 13 44.71 0.02 . 1 . . . . . . . . 5067 1 763 . 1 1 66 66 ILE CG1 C 13 29.75 0.02 . 1 . . . . . . . . 5067 1 764 . 1 1 66 66 ILE CG2 C 13 15.78 0.02 . 2 . . . . . . . . 5067 1 765 . 1 1 66 66 ILE CD1 C 13 15.58 0.02 . 2 . . . . . . . . 5067 1 766 . 1 1 66 66 ILE N N 15 121.63 0.05 . 1 . . . . . . . . 5067 1 767 . 1 1 67 67 SER H H 1 7.70 0.01 . 1 . . . . . . . . 5067 1 768 . 1 1 67 67 SER HA H 1 5.04 0.01 . 1 . . . . . . . . 5067 1 769 . 1 1 67 67 SER HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5067 1 770 . 1 1 67 67 SER HB3 H 1 4.16 0.01 . 2 . . . . . . . . 5067 1 771 . 1 1 67 67 SER CA C 13 55.84 0.02 . 1 . . . . . . . . 5067 1 772 . 1 1 67 67 SER CB C 13 66.21 0.02 . 1 . . . . . . . . 5067 1 773 . 1 1 67 67 SER N N 15 115.44 0.05 . 1 . . . . . . . . 5067 1 774 . 1 1 68 68 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 5067 1 775 . 1 1 68 68 GLU HA H 1 3.75 0.01 . 1 . . . . . . . . 5067 1 776 . 1 1 68 68 GLU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5067 1 777 . 1 1 68 68 GLU HB3 H 1 2.19 0.01 . 2 . . . . . . . . 5067 1 778 . 1 1 68 68 GLU HG2 H 1 2.04 0.01 . 2 . . . . . . . . 5067 1 779 . 1 1 68 68 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . 5067 1 780 . 1 1 68 68 GLU CA C 13 58.22 0.02 . 1 . . . . . . . . 5067 1 781 . 1 1 68 68 GLU CB C 13 29.35 0.02 . 1 . . . . . . . . 5067 1 782 . 1 1 68 68 GLU CG C 13 34.68 0.02 . 1 . . . . . . . . 5067 1 783 . 1 1 68 68 GLU N N 15 121.08 0.05 . 1 . . . . . . . . 5067 1 784 . 1 1 69 69 GLY H H 1 9.39 0.01 . 1 . . . . . . . . 5067 1 785 . 1 1 69 69 GLY HA2 H 1 3.55 0.01 . 2 . . . . . . . . 5067 1 786 . 1 1 69 69 GLY HA3 H 1 4.38 0.01 . 2 . . . . . . . . 5067 1 787 . 1 1 69 69 GLY CA C 13 44.64 0.02 . 1 . . . . . . . . 5067 1 788 . 1 1 69 69 GLY N N 15 114.93 0.05 . 1 . . . . . . . . 5067 1 789 . 1 1 70 70 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 5067 1 790 . 1 1 70 70 GLY HA2 H 1 3.48 0.01 . 2 . . . . . . . . 5067 1 791 . 1 1 70 70 GLY HA3 H 1 4.01 0.01 . 2 . . . . . . . . 5067 1 792 . 1 1 70 70 GLY CA C 13 45.43 0.02 . 1 . . . . . . . . 5067 1 793 . 1 1 70 70 GLY N N 15 107.17 0.05 . 1 . . . . . . . . 5067 1 794 . 1 1 71 71 LEU H H 1 8.52 0.01 . 1 . . . . . . . . 5067 1 795 . 1 1 71 71 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 5067 1 796 . 1 1 71 71 LEU HB2 H 1 1.49 0.01 . 2 . . . . . . . . 5067 1 797 . 1 1 71 71 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . 5067 1 798 . 1 1 71 71 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 5067 1 799 . 1 1 71 71 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 800 . 1 1 71 71 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 801 . 1 1 71 71 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 5067 1 802 . 1 1 71 71 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5067 1 803 . 1 1 71 71 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5067 1 804 . 1 1 71 71 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5067 1 805 . 1 1 71 71 LEU CA C 13 56.06 0.02 . 1 . . . . . . . . 5067 1 806 . 1 1 71 71 LEU CB C 13 42.50 0.02 . 1 . . . . . . . . 5067 1 807 . 1 1 71 71 LEU CG C 13 27.22 0.02 . 1 . . . . . . . . 5067 1 808 . 1 1 71 71 LEU CD1 C 13 24.28 0.02 . 2 . . . . . . . . 5067 1 809 . 1 1 71 71 LEU CD2 C 13 25.85 0.02 . 2 . . . . . . . . 5067 1 810 . 1 1 71 71 LEU N N 15 124.45 0.05 . 1 . . . . . . . . 5067 1 811 . 1 1 72 72 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 5067 1 812 . 1 1 72 72 ILE HA H 1 4.20 0.01 . 1 . . . . . . . . 5067 1 813 . 1 1 72 72 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 5067 1 814 . 1 1 72 72 ILE HG12 H 1 0.53 0.01 . 2 . . . . . . . . 5067 1 815 . 1 1 72 72 ILE HG13 H 1 0.91 0.01 . 2 . . . . . . . . 5067 1 816 . 1 1 72 72 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5067 1 817 . 1 1 72 72 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5067 1 818 . 1 1 72 72 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5067 1 819 . 1 1 72 72 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 5067 1 820 . 1 1 72 72 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 5067 1 821 . 1 1 72 72 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 5067 1 822 . 1 1 72 72 ILE CA C 13 63.17 0.02 . 1 . . . . . . . . 5067 1 823 . 1 1 72 72 ILE CB C 13 40.59 0.02 . 1 . . . . . . . . 5067 1 824 . 1 1 72 72 ILE CG1 C 13 27.76 0.02 . 1 . . . . . . . . 5067 1 825 . 1 1 72 72 ILE CG2 C 13 19.67 0.02 . 1 . . . . . . . . 5067 1 826 . 1 1 72 72 ILE CD1 C 13 15.31 0.02 . 1 . . . . . . . . 5067 1 827 . 1 1 72 72 ILE N N 15 119.80 0.05 . 1 . . . . . . . . 5067 1 828 . 1 1 73 73 VAL H H 1 7.23 0.01 . 1 . . . . . . . . 5067 1 829 . 1 1 73 73 VAL HA H 1 5.10 0.01 . 1 . . . . . . . . 5067 1 830 . 1 1 73 73 VAL HB H 1 2.24 0.01 . 1 . . . . . . . . 5067 1 831 . 1 1 73 73 VAL HG11 H 1 1.05 0.01 . 2 . . . . . . . . 5067 1 832 . 1 1 73 73 VAL HG12 H 1 1.05 0.01 . 2 . . . . . . . . 5067 1 833 . 1 1 73 73 VAL HG13 H 1 1.05 0.01 . 2 . . . . . . . . 5067 1 834 . 1 1 73 73 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 835 . 1 1 73 73 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 836 . 1 1 73 73 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 5067 1 837 . 1 1 73 73 VAL CA C 13 57.71 0.02 . 1 . . . . . . . . 5067 1 838 . 1 1 73 73 VAL CB C 13 37.55 0.02 . 1 . . . . . . . . 5067 1 839 . 1 1 73 73 VAL CG1 C 13 24.29 0.02 . 2 . . . . . . . . 5067 1 840 . 1 1 73 73 VAL CG2 C 13 21.78 0.02 . 2 . . . . . . . . 5067 1 841 . 1 1 73 73 VAL N N 15 105.52 0.05 . 1 . . . . . . . . 5067 1 842 . 1 1 74 74 VAL H H 1 8.33 0.01 . 1 . . . . . . . . 5067 1 843 . 1 1 74 74 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 5067 1 844 . 1 1 74 74 VAL HB H 1 1.77 0.01 . 1 . . . . . . . . 5067 1 845 . 1 1 74 74 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 846 . 1 1 74 74 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 847 . 1 1 74 74 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 848 . 1 1 74 74 VAL HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 849 . 1 1 74 74 VAL HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 850 . 1 1 74 74 VAL HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5067 1 851 . 1 1 74 74 VAL CA C 13 61.76 0.02 . 1 . . . . . . . . 5067 1 852 . 1 1 74 74 VAL CB C 13 33.82 0.02 . 1 . . . . . . . . 5067 1 853 . 1 1 74 74 VAL CG1 C 13 21.98 0.02 . 1 . . . . . . . . 5067 1 854 . 1 1 74 74 VAL CG2 C 13 21.98 0.02 . 1 . . . . . . . . 5067 1 855 . 1 1 74 74 VAL N N 15 119.12 0.05 . 1 . . . . . . . . 5067 1 856 . 1 1 75 75 VAL H H 1 9.35 0.01 . 1 . . . . . . . . 5067 1 857 . 1 1 75 75 VAL HA H 1 4.87 0.01 . 1 . . . . . . . . 5067 1 858 . 1 1 75 75 VAL HB H 1 1.64 0.01 . 1 . . . . . . . . 5067 1 859 . 1 1 75 75 VAL HG11 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 860 . 1 1 75 75 VAL HG12 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 861 . 1 1 75 75 VAL HG13 H 1 0.69 0.01 . 2 . . . . . . . . 5067 1 862 . 1 1 75 75 VAL HG21 H 1 0.59 0.01 . 2 . . . . . . . . 5067 1 863 . 1 1 75 75 VAL HG22 H 1 0.59 0.01 . 2 . . . . . . . . 5067 1 864 . 1 1 75 75 VAL HG23 H 1 0.59 0.01 . 2 . . . . . . . . 5067 1 865 . 1 1 75 75 VAL CA C 13 59.09 0.02 . 1 . . . . . . . . 5067 1 866 . 1 1 75 75 VAL CB C 13 35.88 0.02 . 1 . . . . . . . . 5067 1 867 . 1 1 75 75 VAL CG1 C 13 21.49 0.02 . 2 . . . . . . . . 5067 1 868 . 1 1 75 75 VAL CG2 C 13 20.53 0.02 . 2 . . . . . . . . 5067 1 869 . 1 1 75 75 VAL N N 15 124.85 0.05 . 1 . . . . . . . . 5067 1 870 . 1 1 76 76 GLU H H 1 9.29 0.01 . 1 . . . . . . . . 5067 1 871 . 1 1 76 76 GLU HA H 1 4.81 0.01 . 1 . . . . . . . . 5067 1 872 . 1 1 76 76 GLU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5067 1 873 . 1 1 76 76 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5067 1 874 . 1 1 76 76 GLU HG2 H 1 1.92 0.01 . 2 . . . . . . . . 5067 1 875 . 1 1 76 76 GLU HG3 H 1 2.18 0.01 . 2 . . . . . . . . 5067 1 876 . 1 1 76 76 GLU CA C 13 55.11 0.02 . 1 . . . . . . . . 5067 1 877 . 1 1 76 76 GLU CB C 13 30.02 0.02 . 1 . . . . . . . . 5067 1 878 . 1 1 76 76 GLU CG C 13 35.87 0.02 . 1 . . . . . . . . 5067 1 879 . 1 1 76 76 GLU N N 15 124.87 0.05 . 1 . . . . . . . . 5067 1 880 . 1 1 77 77 ALA H H 1 8.74 0.01 . 1 . . . . . . . . 5067 1 881 . 1 1 77 77 ALA HA H 1 4.74 0.01 . 1 . . . . . . . . 5067 1 882 . 1 1 77 77 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5067 1 883 . 1 1 77 77 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5067 1 884 . 1 1 77 77 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5067 1 885 . 1 1 77 77 ALA CA C 13 51.68 0.02 . 1 . . . . . . . . 5067 1 886 . 1 1 77 77 ALA CB C 13 21.06 0.02 . 1 . . . . . . . . 5067 1 887 . 1 1 77 77 ALA N N 15 132.32 0.05 . 1 . . . . . . . . 5067 1 888 . 1 1 78 78 GLU H H 1 8.83 0.01 . 1 . . . . . . . . 5067 1 889 . 1 1 78 78 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5067 1 890 . 1 1 78 78 GLU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5067 1 891 . 1 1 78 78 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5067 1 892 . 1 1 78 78 GLU HG2 H 1 2.24 0.01 . 1 . . . . . . . . 5067 1 893 . 1 1 78 78 GLU HG3 H 1 2.24 0.01 . 1 . . . . . . . . 5067 1 894 . 1 1 78 78 GLU CA C 13 56.68 0.02 . 1 . . . . . . . . 5067 1 895 . 1 1 78 78 GLU CB C 13 30.31 0.02 . 1 . . . . . . . . 5067 1 896 . 1 1 78 78 GLU CG C 13 35.98 0.02 . 1 . . . . . . . . 5067 1 897 . 1 1 78 78 GLU N N 15 121.43 0.05 . 1 . . . . . . . . 5067 1 898 . 1 1 79 79 GLY H H 1 8.62 0.01 . 1 . . . . . . . . 5067 1 899 . 1 1 79 79 GLY HA2 H 1 4.00 0.01 . 1 . . . . . . . . 5067 1 900 . 1 1 79 79 GLY HA3 H 1 4.00 0.01 . 1 . . . . . . . . 5067 1 901 . 1 1 79 79 GLY CA C 13 45.20 0.02 . 1 . . . . . . . . 5067 1 902 . 1 1 79 79 GLY N N 15 109.34 0.05 . 1 . . . . . . . . 5067 1 903 . 1 1 80 80 THR H H 1 8.05 0.01 . 1 . . . . . . . . 5067 1 904 . 1 1 80 80 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 5067 1 905 . 1 1 80 80 THR HB H 1 4.24 0.01 . 1 . . . . . . . . 5067 1 906 . 1 1 80 80 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5067 1 907 . 1 1 80 80 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5067 1 908 . 1 1 80 80 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5067 1 909 . 1 1 80 80 THR CA C 13 61.37 0.02 . 1 . . . . . . . . 5067 1 910 . 1 1 80 80 THR CB C 13 70.10 0.02 . 1 . . . . . . . . 5067 1 911 . 1 1 80 80 THR CG2 C 13 21.37 0.02 . 1 . . . . . . . . 5067 1 912 . 1 1 80 80 THR N N 15 111.40 0.05 . 1 . . . . . . . . 5067 1 913 . 1 1 81 81 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 5067 1 914 . 1 1 81 81 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 5067 1 915 . 1 1 81 81 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 5067 1 916 . 1 1 81 81 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 5067 1 917 . 1 1 81 81 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 5067 1 918 . 1 1 81 81 ALA CA C 13 53.83 0.02 . 1 . . . . . . . . 5067 1 919 . 1 1 81 81 ALA CB C 13 20.03 0.02 . 1 . . . . . . . . 5067 1 920 . 1 1 81 81 ALA N N 15 130.21 0.05 . 1 . . . . . . . . 5067 1 stop_ save_