data_25033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25033 _Entry.Title ; Solution structure of the Chlamydomonas reinhardtii NAB1 cold shock domain, CSD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-20 _Entry.Accession_date 2014-06-20 _Entry.Last_release_date 2015-05-04 _Entry.Original_release_date 2015-05-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Anne Sawyer . . . 25033 2 Mehdi Mobli . . . 25033 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25033 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Chlamydomonas reinhardtii' . 25033 RNA-binding . 25033 algae . 25033 'cold shock domain' . 25033 protein . 25033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 25033 '15N chemical shifts' 71 25033 '1H chemical shifts' 428 25033 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 . . 2015-05-04 . original BMRB . 25033 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI AAN77901.2 'putative nucleic acid binding protein [Chlamydomonas reinhardtii]' 25033 PDB 2MQH 'BMRB entry-tracking system' 25033 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25033 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25919092 _Citation.Full_citation . _Citation.Title ; Solution structure of the RNA-binding cold shock domain of the Chlamydomonas reinhardtii NAB1 protein and insights into RNA recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _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 Anne Sawyer . . . 25033 1 2 Mehdi Mobli . . . 25033 1 3 Michael Landsberg . . . 25033 1 4 Ian Ross . . . 25033 1 5 Ben Hankamer . . . 25033 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 25033 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16284312 _Citation.Full_citation . _Citation.Title ; NAB1 is an RNA binding protein involved in the light-regulated differential expression of the light-harvesting antenna of Chlamydomonas reinhardtii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Cell' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 12 _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 3409 _Citation.Page_last 3421 _Citation.Year 2005 _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 Jan Mussgnug . . . 25033 2 2 L Wobbe . . . 25033 2 3 I Elles . . . 25033 2 4 C Claus . . . 25033 2 5 M Hamilton . . . 25033 2 6 A Fink . . . 25033 2 7 U Kahmann . . . 25033 2 8 A Kapazoglou . . . 25033 2 9 C Mullineaux . . . 25033 2 10 M Hippler . . . 25033 2 11 J Nickelsen . . . 25033 2 12 P Nixon . . . 25033 2 13 Olaf Kruse . . . 25033 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25033 _Assembly.ID 1 _Assembly.Name 'Chlamydomonas reinhardtii NAB1 cold shock domain, CSD1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NAB1_cold_shock_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSGEQLRQQG TVKWFNATKGFGFITPGGGG EDLFVHQTNINSEGFRSLRE GEVVEFEVEAGPDGRSKAVN VT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 are part of a non-native His tag, this is the cold shock domain of NAB1' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'cold shock domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7736.490 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MQH . "Solution Structure Of The Chlamydomonas Reinhardtii Nab1 Cold Shock Domain, Csd1" . . . . . 100.00 82 100.00 100.00 1.30e-50 . . . . 25033 1 2 no GB AAN77901 . "putative nucleic acid binding protein [Chlamydomonas reinhardtii]" . . . . . 85.37 247 100.00 100.00 1.07e-39 . . . . 25033 1 3 no GB ABA01136 . "putative nucleic acid-binding protein, partial [Chlamydomonas incerta]" . . . . . 85.37 226 98.57 98.57 2.05e-39 . . . . 25033 1 4 no GB EDP08495 . "nucleic acid binding protein [Chlamydomonas reinhardtii]" . . . . . 85.37 247 100.00 100.00 1.07e-39 . . . . 25033 1 5 no REF XP_001696518 . "nucleic acid binding protein [Chlamydomonas reinhardtii]" . . . . . 85.37 247 100.00 100.00 1.07e-39 . . . . 25033 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25033 1 2 . ARG . 25033 1 3 . GLY . 25033 1 4 . SER . 25033 1 5 . HIS . 25033 1 6 . HIS . 25033 1 7 . HIS . 25033 1 8 . HIS . 25033 1 9 . HIS . 25033 1 10 . HIS . 25033 1 11 . GLY . 25033 1 12 . SER . 25033 1 13 . GLY . 25033 1 14 . GLU . 25033 1 15 . GLN . 25033 1 16 . LEU . 25033 1 17 . ARG . 25033 1 18 . GLN . 25033 1 19 . GLN . 25033 1 20 . GLY . 25033 1 21 . THR . 25033 1 22 . VAL . 25033 1 23 . LYS . 25033 1 24 . TRP . 25033 1 25 . PHE . 25033 1 26 . ASN . 25033 1 27 . ALA . 25033 1 28 . THR . 25033 1 29 . LYS . 25033 1 30 . GLY . 25033 1 31 . PHE . 25033 1 32 . GLY . 25033 1 33 . PHE . 25033 1 34 . ILE . 25033 1 35 . THR . 25033 1 36 . PRO . 25033 1 37 . GLY . 25033 1 38 . GLY . 25033 1 39 . GLY . 25033 1 40 . GLY . 25033 1 41 . GLU . 25033 1 42 . ASP . 25033 1 43 . LEU . 25033 1 44 . PHE . 25033 1 45 . VAL . 25033 1 46 . HIS . 25033 1 47 . GLN . 25033 1 48 . THR . 25033 1 49 . ASN . 25033 1 50 . ILE . 25033 1 51 . ASN . 25033 1 52 . SER . 25033 1 53 . GLU . 25033 1 54 . GLY . 25033 1 55 . PHE . 25033 1 56 . ARG . 25033 1 57 . SER . 25033 1 58 . LEU . 25033 1 59 . ARG . 25033 1 60 . GLU . 25033 1 61 . GLY . 25033 1 62 . GLU . 25033 1 63 . VAL . 25033 1 64 . VAL . 25033 1 65 . GLU . 25033 1 66 . PHE . 25033 1 67 . GLU . 25033 1 68 . VAL . 25033 1 69 . GLU . 25033 1 70 . ALA . 25033 1 71 . GLY . 25033 1 72 . PRO . 25033 1 73 . ASP . 25033 1 74 . GLY . 25033 1 75 . ARG . 25033 1 76 . SER . 25033 1 77 . LYS . 25033 1 78 . ALA . 25033 1 79 . VAL . 25033 1 80 . ASN . 25033 1 81 . VAL . 25033 1 82 . THR . 25033 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25033 1 . ARG 2 2 25033 1 . GLY 3 3 25033 1 . SER 4 4 25033 1 . HIS 5 5 25033 1 . HIS 6 6 25033 1 . HIS 7 7 25033 1 . HIS 8 8 25033 1 . HIS 9 9 25033 1 . HIS 10 10 25033 1 . GLY 11 11 25033 1 . SER 12 12 25033 1 . GLY 13 13 25033 1 . GLU 14 14 25033 1 . GLN 15 15 25033 1 . LEU 16 16 25033 1 . ARG 17 17 25033 1 . GLN 18 18 25033 1 . GLN 19 19 25033 1 . GLY 20 20 25033 1 . THR 21 21 25033 1 . VAL 22 22 25033 1 . LYS 23 23 25033 1 . TRP 24 24 25033 1 . PHE 25 25 25033 1 . ASN 26 26 25033 1 . ALA 27 27 25033 1 . THR 28 28 25033 1 . LYS 29 29 25033 1 . GLY 30 30 25033 1 . PHE 31 31 25033 1 . GLY 32 32 25033 1 . PHE 33 33 25033 1 . ILE 34 34 25033 1 . THR 35 35 25033 1 . PRO 36 36 25033 1 . GLY 37 37 25033 1 . GLY 38 38 25033 1 . GLY 39 39 25033 1 . GLY 40 40 25033 1 . GLU 41 41 25033 1 . ASP 42 42 25033 1 . LEU 43 43 25033 1 . PHE 44 44 25033 1 . VAL 45 45 25033 1 . HIS 46 46 25033 1 . GLN 47 47 25033 1 . THR 48 48 25033 1 . ASN 49 49 25033 1 . ILE 50 50 25033 1 . ASN 51 51 25033 1 . SER 52 52 25033 1 . GLU 53 53 25033 1 . GLY 54 54 25033 1 . PHE 55 55 25033 1 . ARG 56 56 25033 1 . SER 57 57 25033 1 . LEU 58 58 25033 1 . ARG 59 59 25033 1 . GLU 60 60 25033 1 . GLY 61 61 25033 1 . GLU 62 62 25033 1 . VAL 63 63 25033 1 . VAL 64 64 25033 1 . GLU 65 65 25033 1 . PHE 66 66 25033 1 . GLU 67 67 25033 1 . VAL 68 68 25033 1 . GLU 69 69 25033 1 . ALA 70 70 25033 1 . GLY 71 71 25033 1 . PRO 72 72 25033 1 . ASP 73 73 25033 1 . GLY 74 74 25033 1 . ARG 75 75 25033 1 . SER 76 76 25033 1 . LYS 77 77 25033 1 . ALA 78 78 25033 1 . VAL 79 79 25033 1 . ASN 80 80 25033 1 . VAL 81 81 25033 1 . THR 82 82 25033 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 25033 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . 'NAB1 nucleic acid binding protein' . 25033 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 25033 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pQE-80L . . . 25033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25033 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NAB1 cold shock domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 267 . . uM . . . . 25033 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25033 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25033 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25033 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25033 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25033 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 25033 1 pH 7 . pH 25033 1 pressure 1 . atm 25033 1 temperature 298 . K 25033 1 stop_ save_ save_Sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_conditions_2 _Sample_condition_list.Entry_ID 25033 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 25033 2 pH 7 . pH 25033 2 pressure 1 . atm 25033 2 temperature 303 . K 25033 2 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 25033 _Software.ID 1 _Software.Name CcpNmr _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . http://www.ccpn.ac.uk/ 25033 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25033 1 'data analysis' 25033 1 'peak picking' 25033 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25033 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25033 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25033 2 'structure solution' 25033 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25033 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25033 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25033 3 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 25033 _Software.ID 4 _Software.Name Rowland_NMR_Toolkit _Software.Version 3 _Software.Details 'Maximum entropy reconstruction of NUS data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A. Stern, J. C. Hoch' 'UConn Health Centre' . 25033 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25033 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25033 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'Cryo probe' . . 25033 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 25033 _Experiment_list.ID 1 _Experiment_list.Details 'All non NOE 3D experiments acquired using NUS and processed using MaxEnt.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $Sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 25033 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 25033 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 25033 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 25033 1 2 '3D HNCACB' . . . 25033 1 3 '3D HNCO' . . . 25033 1 4 '3D 1H-15N NOESY' . . . 25033 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 11 11 GLY C C 13 174.266 0.000 . . . . . A 11 GLY C . 25033 1 2 . 1 1 12 12 SER H H 1 8.422 0.018 . . . . . A 12 SER H . 25033 1 3 . 1 1 12 12 SER C C 13 175.271 0.000 . . . . . A 12 SER C . 25033 1 4 . 1 1 12 12 SER CA C 13 58.570 0.000 . . . . . A 12 SER CA . 25033 1 5 . 1 1 12 12 SER CB C 13 63.984 0.000 . . . . . A 12 SER CB . 25033 1 6 . 1 1 12 12 SER N N 15 116.112 0.141 . . . . . A 12 SER N . 25033 1 7 . 1 1 13 13 GLY H H 1 8.537 0.030 . . . . . A 13 GLY H . 25033 1 8 . 1 1 13 13 GLY HA2 H 1 4.750 0.022 . . . . . A 13 GLY HA2 . 25033 1 9 . 1 1 13 13 GLY HA3 H 1 3.996 0.000 . . . . . A 13 GLY HA3 . 25033 1 10 . 1 1 13 13 GLY C C 13 174.238 0.000 . . . . . A 13 GLY C . 25033 1 11 . 1 1 13 13 GLY CA C 13 45.520 0.000 . . . . . A 13 GLY CA . 25033 1 12 . 1 1 13 13 GLY N N 15 111.178 0.090 . . . . . A 13 GLY N . 25033 1 13 . 1 1 14 14 GLU H H 1 8.285 0.002 . . . . . A 14 GLU H . 25033 1 14 . 1 1 14 14 GLU HA H 1 4.267 0.004 . . . . . A 14 GLU HA . 25033 1 15 . 1 1 14 14 GLU HB2 H 1 1.915 0.001 . . . . . A 14 GLU HB2 . 25033 1 16 . 1 1 14 14 GLU HB3 H 1 2.050 0.000 . . . . . A 14 GLU HB3 . 25033 1 17 . 1 1 14 14 GLU HG2 H 1 2.248 0.000 . . . . . A 14 GLU HG2 . 25033 1 18 . 1 1 14 14 GLU HG3 H 1 2.248 0.000 . . . . . A 14 GLU HG3 . 25033 1 19 . 1 1 14 14 GLU C C 13 176.455 0.000 . . . . . A 14 GLU C . 25033 1 20 . 1 1 14 14 GLU CA C 13 56.753 0.000 . . . . . A 14 GLU CA . 25033 1 21 . 1 1 14 14 GLU CB C 13 30.464 0.007 . . . . . A 14 GLU CB . 25033 1 22 . 1 1 14 14 GLU CG C 13 36.110 0.000 . . . . . A 14 GLU CG . 25033 1 23 . 1 1 14 14 GLU N N 15 120.547 0.038 . . . . . A 14 GLU N . 25033 1 24 . 1 1 15 15 GLN H H 1 8.444 0.015 . . . . . A 15 GLN H . 25033 1 25 . 1 1 15 15 GLN HA H 1 4.349 0.000 . . . . . A 15 GLN HA . 25033 1 26 . 1 1 15 15 GLN HB2 H 1 1.966 0.001 . . . . . A 15 GLN HB2 . 25033 1 27 . 1 1 15 15 GLN HB3 H 1 2.090 0.000 . . . . . A 15 GLN HB3 . 25033 1 28 . 1 1 15 15 GLN HG2 H 1 2.355 0.001 . . . . . A 15 GLN HG2 . 25033 1 29 . 1 1 15 15 GLN HG3 H 1 2.355 0.001 . . . . . A 15 GLN HG3 . 25033 1 30 . 1 1 15 15 GLN HE21 H 1 7.614 0.004 . . . . . A 15 GLN HE21 . 25033 1 31 . 1 1 15 15 GLN HE22 H 1 6.924 0.004 . . . . . A 15 GLN HE22 . 25033 1 32 . 1 1 15 15 GLN C C 13 175.494 0.000 . . . . . A 15 GLN C . 25033 1 33 . 1 1 15 15 GLN CA C 13 55.670 0.000 . . . . . A 15 GLN CA . 25033 1 34 . 1 1 15 15 GLN CB C 13 29.410 0.000 . . . . . A 15 GLN CB . 25033 1 35 . 1 1 15 15 GLN CG C 13 33.760 0.000 . . . . . A 15 GLN CG . 25033 1 36 . 1 1 15 15 GLN N N 15 121.185 0.053 . . . . . A 15 GLN N . 25033 1 37 . 1 1 15 15 GLN NE2 N 15 112.743 0.032 . . . . . A 15 GLN NE2 . 25033 1 38 . 1 1 16 16 LEU H H 1 8.289 0.005 . . . . . A 16 LEU H . 25033 1 39 . 1 1 16 16 LEU HA H 1 4.341 0.001 . . . . . A 16 LEU HA . 25033 1 40 . 1 1 16 16 LEU HB2 H 1 1.600 0.000 . . . . . A 16 LEU HB2 . 25033 1 41 . 1 1 16 16 LEU HB3 H 1 1.600 0.000 . . . . . A 16 LEU HB3 . 25033 1 42 . 1 1 16 16 LEU HG H 1 1.565 0.000 . . . . . A 16 LEU HG . 25033 1 43 . 1 1 16 16 LEU HD11 H 1 0.846 0.002 . . . . . A 16 LEU HD11 . 25033 1 44 . 1 1 16 16 LEU HD12 H 1 0.846 0.002 . . . . . A 16 LEU HD12 . 25033 1 45 . 1 1 16 16 LEU HD13 H 1 0.846 0.002 . . . . . A 16 LEU HD13 . 25033 1 46 . 1 1 16 16 LEU HD21 H 1 0.904 0.000 . . . . . A 16 LEU HD21 . 25033 1 47 . 1 1 16 16 LEU HD22 H 1 0.904 0.000 . . . . . A 16 LEU HD22 . 25033 1 48 . 1 1 16 16 LEU HD23 H 1 0.904 0.000 . . . . . A 16 LEU HD23 . 25033 1 49 . 1 1 16 16 LEU C C 13 176.942 0.000 . . . . . A 16 LEU C . 25033 1 50 . 1 1 16 16 LEU CA C 13 55.504 0.010 . . . . . A 16 LEU CA . 25033 1 51 . 1 1 16 16 LEU CB C 13 42.519 0.000 . . . . . A 16 LEU CB . 25033 1 52 . 1 1 16 16 LEU CG C 13 27.285 0.000 . . . . . A 16 LEU CG . 25033 1 53 . 1 1 16 16 LEU CD1 C 13 24.111 0.006 . . . . . A 16 LEU CD1 . 25033 1 54 . 1 1 16 16 LEU CD2 C 13 24.700 0.000 . . . . . A 16 LEU CD2 . 25033 1 55 . 1 1 16 16 LEU N N 15 123.934 0.156 . . . . . A 16 LEU N . 25033 1 56 . 1 1 17 17 ARG H H 1 8.216 0.007 . . . . . A 17 ARG H . 25033 1 57 . 1 1 17 17 ARG HA H 1 4.464 0.000 . . . . . A 17 ARG HA . 25033 1 58 . 1 1 17 17 ARG HB2 H 1 1.586 0.000 . . . . . A 17 ARG HB2 . 25033 1 59 . 1 1 17 17 ARG HB3 H 1 1.656 0.001 . . . . . A 17 ARG HB3 . 25033 1 60 . 1 1 17 17 ARG HG2 H 1 1.825 0.001 . . . . . A 17 ARG HG2 . 25033 1 61 . 1 1 17 17 ARG HG3 H 1 1.825 0.001 . . . . . A 17 ARG HG3 . 25033 1 62 . 1 1 17 17 ARG HD2 H 1 3.175 0.001 . . . . . A 17 ARG HD2 . 25033 1 63 . 1 1 17 17 ARG HD3 H 1 3.175 0.001 . . . . . A 17 ARG HD3 . 25033 1 64 . 1 1 17 17 ARG C C 13 175.829 0.000 . . . . . A 17 ARG C . 25033 1 65 . 1 1 17 17 ARG CA C 13 55.672 0.000 . . . . . A 17 ARG CA . 25033 1 66 . 1 1 17 17 ARG CB C 13 29.830 0.000 . . . . . A 17 ARG CB . 25033 1 67 . 1 1 17 17 ARG CG C 13 30.573 0.000 . . . . . A 17 ARG CG . 25033 1 68 . 1 1 17 17 ARG CD C 13 43.453 0.000 . . . . . A 17 ARG CD . 25033 1 69 . 1 1 17 17 ARG N N 15 122.044 0.035 . . . . . A 17 ARG N . 25033 1 70 . 1 1 18 18 GLN H H 1 8.573 0.013 . . . . . A 18 GLN H . 25033 1 71 . 1 1 18 18 GLN HA H 1 4.334 0.001 . . . . . A 18 GLN HA . 25033 1 72 . 1 1 18 18 GLN HB2 H 1 1.593 0.000 . . . . . A 18 GLN HB2 . 25033 1 73 . 1 1 18 18 GLN HB3 H 1 1.635 0.000 . . . . . A 18 GLN HB3 . 25033 1 74 . 1 1 18 18 GLN HG2 H 1 1.941 0.001 . . . . . A 18 GLN HG2 . 25033 1 75 . 1 1 18 18 GLN HG3 H 1 1.941 0.001 . . . . . A 18 GLN HG3 . 25033 1 76 . 1 1 18 18 GLN C C 13 172.958 0.000 . . . . . A 18 GLN C . 25033 1 77 . 1 1 18 18 GLN CA C 13 54.900 0.000 . . . . . A 18 GLN CA . 25033 1 78 . 1 1 18 18 GLN CB C 13 32.620 0.000 . . . . . A 18 GLN CB . 25033 1 79 . 1 1 18 18 GLN CG C 13 33.760 0.000 . . . . . A 18 GLN CG . 25033 1 80 . 1 1 18 18 GLN N N 15 122.488 0.028 . . . . . A 18 GLN N . 25033 1 81 . 1 1 19 19 GLN H H 1 8.146 0.003 . . . . . A 19 GLN H . 25033 1 82 . 1 1 19 19 GLN HA H 1 5.378 0.000 . . . . . A 19 GLN HA . 25033 1 83 . 1 1 19 19 GLN HB2 H 1 2.347 0.000 . . . . . A 19 GLN HB2 . 25033 1 84 . 1 1 19 19 GLN HB3 H 1 2.347 0.000 . . . . . A 19 GLN HB3 . 25033 1 85 . 1 1 19 19 GLN HG2 H 1 1.979 0.000 . . . . . A 19 GLN HG2 . 25033 1 86 . 1 1 19 19 GLN HG3 H 1 2.025 0.000 . . . . . A 19 GLN HG3 . 25033 1 87 . 1 1 19 19 GLN HE21 H 1 7.546 0.002 . . . . . A 19 GLN HE21 . 25033 1 88 . 1 1 19 19 GLN HE22 H 1 6.846 0.002 . . . . . A 19 GLN HE22 . 25033 1 89 . 1 1 19 19 GLN C C 13 176.902 0.000 . . . . . A 19 GLN C . 25033 1 90 . 1 1 19 19 GLN CA C 13 54.215 0.001 . . . . . A 19 GLN CA . 25033 1 91 . 1 1 19 19 GLN CB C 13 34.638 0.000 . . . . . A 19 GLN CB . 25033 1 92 . 1 1 19 19 GLN CG C 13 32.595 0.000 . . . . . A 19 GLN CG . 25033 1 93 . 1 1 19 19 GLN N N 15 116.301 0.044 . . . . . A 19 GLN N . 25033 1 94 . 1 1 19 19 GLN NE2 N 15 111.880 0.031 . . . . . A 19 GLN NE2 . 25033 1 95 . 1 1 20 20 GLY H H 1 8.998 0.003 . . . . . A 20 GLY H . 25033 1 96 . 1 1 20 20 GLY HA2 H 1 4.000 0.005 . . . . . A 20 GLY HA2 . 25033 1 97 . 1 1 20 20 GLY HA3 H 1 4.589 0.000 . . . . . A 20 GLY HA3 . 25033 1 98 . 1 1 20 20 GLY C C 13 170.989 0.000 . . . . . A 20 GLY C . 25033 1 99 . 1 1 20 20 GLY CA C 13 45.935 0.000 . . . . . A 20 GLY CA . 25033 1 100 . 1 1 20 20 GLY N N 15 109.745 0.021 . . . . . A 20 GLY N . 25033 1 101 . 1 1 21 21 THR H H 1 8.312 0.007 . . . . . A 21 THR H . 25033 1 102 . 1 1 21 21 THR HA H 1 5.361 0.001 . . . . . A 21 THR HA . 25033 1 103 . 1 1 21 21 THR HB H 1 3.783 0.001 . . . . . A 21 THR HB . 25033 1 104 . 1 1 21 21 THR HG21 H 1 1.119 0.003 . . . . . A 21 THR HG21 . 25033 1 105 . 1 1 21 21 THR HG22 H 1 1.119 0.003 . . . . . A 21 THR HG22 . 25033 1 106 . 1 1 21 21 THR HG23 H 1 1.119 0.003 . . . . . A 21 THR HG23 . 25033 1 107 . 1 1 21 21 THR C C 13 174.553 0.000 . . . . . A 21 THR C . 25033 1 108 . 1 1 21 21 THR CA C 13 60.025 0.000 . . . . . A 21 THR CA . 25033 1 109 . 1 1 21 21 THR CB C 13 71.720 0.000 . . . . . A 21 THR CB . 25033 1 110 . 1 1 21 21 THR CG2 C 13 21.995 0.000 . . . . . A 21 THR CG2 . 25033 1 111 . 1 1 21 21 THR N N 15 112.645 0.139 . . . . . A 21 THR N . 25033 1 112 . 1 1 22 22 VAL H H 1 9.092 0.006 . . . . . A 22 VAL H . 25033 1 113 . 1 1 22 22 VAL HA H 1 3.649 0.002 . . . . . A 22 VAL HA . 25033 1 114 . 1 1 22 22 VAL HB H 1 2.448 0.001 . . . . . A 22 VAL HB . 25033 1 115 . 1 1 22 22 VAL HG11 H 1 0.520 0.001 . . . . . A 22 VAL HG11 . 25033 1 116 . 1 1 22 22 VAL HG12 H 1 0.520 0.001 . . . . . A 22 VAL HG12 . 25033 1 117 . 1 1 22 22 VAL HG13 H 1 0.520 0.001 . . . . . A 22 VAL HG13 . 25033 1 118 . 1 1 22 22 VAL HG21 H 1 0.869 0.000 . . . . . A 22 VAL HG21 . 25033 1 119 . 1 1 22 22 VAL HG22 H 1 0.869 0.000 . . . . . A 22 VAL HG22 . 25033 1 120 . 1 1 22 22 VAL HG23 H 1 0.869 0.000 . . . . . A 22 VAL HG23 . 25033 1 121 . 1 1 22 22 VAL C C 13 175.553 0.000 . . . . . A 22 VAL C . 25033 1 122 . 1 1 22 22 VAL CA C 13 64.618 0.000 . . . . . A 22 VAL CA . 25033 1 123 . 1 1 22 22 VAL CB C 13 31.621 0.000 . . . . . A 22 VAL CB . 25033 1 124 . 1 1 22 22 VAL CG1 C 13 21.120 0.000 . . . . . A 22 VAL CG1 . 25033 1 125 . 1 1 22 22 VAL CG2 C 13 24.283 0.000 . . . . . A 22 VAL CG2 . 25033 1 126 . 1 1 22 22 VAL N N 15 125.915 0.092 . . . . . A 22 VAL N . 25033 1 127 . 1 1 23 23 LYS H H 1 9.276 0.000 . . . . . A 23 LYS H . 25033 1 128 . 1 1 23 23 LYS HA H 1 4.301 0.000 . . . . . A 23 LYS HA . 25033 1 129 . 1 1 23 23 LYS HB2 H 1 1.940 0.004 . . . . . A 23 LYS HB2 . 25033 1 130 . 1 1 23 23 LYS HB3 H 1 1.940 0.004 . . . . . A 23 LYS HB3 . 25033 1 131 . 1 1 23 23 LYS HG2 H 1 1.557 0.000 . . . . . A 23 LYS HG2 . 25033 1 132 . 1 1 23 23 LYS HG3 H 1 1.557 0.000 . . . . . A 23 LYS HG3 . 25033 1 133 . 1 1 23 23 LYS HD2 H 1 1.610 0.001 . . . . . A 23 LYS HD2 . 25033 1 134 . 1 1 23 23 LYS HD3 H 1 1.610 0.001 . . . . . A 23 LYS HD3 . 25033 1 135 . 1 1 23 23 LYS HE2 H 1 3.032 0.000 . . . . . A 23 LYS HE2 . 25033 1 136 . 1 1 23 23 LYS HE3 H 1 3.032 0.000 . . . . . A 23 LYS HE3 . 25033 1 137 . 1 1 23 23 LYS C C 13 176.301 0.000 . . . . . A 23 LYS C . 25033 1 138 . 1 1 23 23 LYS CA C 13 58.610 0.000 . . . . . A 23 LYS CA . 25033 1 139 . 1 1 23 23 LYS CB C 13 34.300 0.000 . . . . . A 23 LYS CB . 25033 1 140 . 1 1 23 23 LYS CG C 13 24.960 0.000 . . . . . A 23 LYS CG . 25033 1 141 . 1 1 23 23 LYS CD C 13 29.230 0.000 . . . . . A 23 LYS CD . 25033 1 142 . 1 1 23 23 LYS CE C 13 41.580 0.000 . . . . . A 23 LYS CE . 25033 1 143 . 1 1 23 23 LYS N N 15 135.79 0.000 . . . . . A 23 LYS N . 25033 1 144 . 1 1 24 24 TRP H H 1 7.455 0.019 . . . . . A 24 TRP H . 25033 1 145 . 1 1 24 24 TRP HA H 1 4.623 0.001 . . . . . A 24 TRP HA . 25033 1 146 . 1 1 24 24 TRP HB2 H 1 3.502 0.002 . . . . . A 24 TRP HB2 . 25033 1 147 . 1 1 24 24 TRP HB3 H 1 3.428 0.002 . . . . . A 24 TRP HB3 . 25033 1 148 . 1 1 24 24 TRP HD1 H 1 7.145 0.008 . . . . . A 24 TRP HD1 . 25033 1 149 . 1 1 24 24 TRP HE1 H 1 10.322 0.012 . . . . . A 24 TRP HE1 . 25033 1 150 . 1 1 24 24 TRP HZ2 H 1 7.633 0.002 . . . . . A 24 TRP HZ2 . 25033 1 151 . 1 1 24 24 TRP C C 13 173.628 0.000 . . . . . A 24 TRP C . 25033 1 152 . 1 1 24 24 TRP CA C 13 56.300 0.000 . . . . . A 24 TRP CA . 25033 1 153 . 1 1 24 24 TRP CB C 13 31.260 0.000 . . . . . A 24 TRP CB . 25033 1 154 . 1 1 24 24 TRP CD1 C 13 128.052 0.073 . . . . . A 24 TRP CD1 . 25033 1 155 . 1 1 24 24 TRP CZ2 C 13 115.262 0.000 . . . . . A 24 TRP CZ2 . 25033 1 156 . 1 1 24 24 TRP N N 15 111.651 0.070 . . . . . A 24 TRP N . 25033 1 157 . 1 1 24 24 TRP NE1 N 15 130.159 0.119 . . . . . A 24 TRP NE1 . 25033 1 158 . 1 1 25 25 PHE H H 1 9.074 0.009 . . . . . A 25 PHE H . 25033 1 159 . 1 1 25 25 PHE HA H 1 4.285 0.001 . . . . . A 25 PHE HA . 25033 1 160 . 1 1 25 25 PHE HB2 H 1 2.800 0.007 . . . . . A 25 PHE HB2 . 25033 1 161 . 1 1 25 25 PHE HB3 H 1 2.427 0.003 . . . . . A 25 PHE HB3 . 25033 1 162 . 1 1 25 25 PHE HD1 H 1 6.744 0.001 . . . . . A 25 PHE HD1 . 25033 1 163 . 1 1 25 25 PHE HD2 H 1 6.744 0.001 . . . . . A 25 PHE HD2 . 25033 1 164 . 1 1 25 25 PHE HE1 H 1 7.486 0.000 . . . . . A 25 PHE HE1 . 25033 1 165 . 1 1 25 25 PHE HE2 H 1 7.486 0.000 . . . . . A 25 PHE HE2 . 25033 1 166 . 1 1 25 25 PHE C C 13 172.354 0.000 . . . . . A 25 PHE C . 25033 1 167 . 1 1 25 25 PHE CA C 13 59.372 0.000 . . . . . A 25 PHE CA . 25033 1 168 . 1 1 25 25 PHE CB C 13 42.569 0.000 . . . . . A 25 PHE CB . 25033 1 169 . 1 1 25 25 PHE CD2 C 13 131.693 0.087 . . . . . A 25 PHE CD2 . 25033 1 170 . 1 1 25 25 PHE CE2 C 13 131.768 0.002 . . . . . A 25 PHE CE2 . 25033 1 171 . 1 1 25 25 PHE N N 15 121.305 0.030 . . . . . A 25 PHE N . 25033 1 172 . 1 1 26 26 ASN H H 1 8.159 0.012 . . . . . A 26 ASN H . 25033 1 173 . 1 1 26 26 ASN HA H 1 4.812 0.001 . . . . . A 26 ASN HA . 25033 1 174 . 1 1 26 26 ASN HB2 H 1 2.536 0.002 . . . . . A 26 ASN HB2 . 25033 1 175 . 1 1 26 26 ASN HB3 H 1 2.457 0.002 . . . . . A 26 ASN HB3 . 25033 1 176 . 1 1 26 26 ASN CA C 13 51.412 0.000 . . . . . A 26 ASN CA . 25033 1 177 . 1 1 26 26 ASN CB C 13 39.086 0.000 . . . . . A 26 ASN CB . 25033 1 178 . 1 1 26 26 ASN N N 15 126.976 0.092 . . . . . A 26 ASN N . 25033 1 179 . 1 1 27 27 ALA H H 1 9.036 0.020 . . . . . A 27 ALA H . 25033 1 180 . 1 1 27 27 ALA HA H 1 4.121 0.000 . . . . . A 27 ALA HA . 25033 1 181 . 1 1 27 27 ALA HB1 H 1 1.660 0.000 . . . . . A 27 ALA HB1 . 25033 1 182 . 1 1 27 27 ALA HB2 H 1 1.660 0.000 . . . . . A 27 ALA HB2 . 25033 1 183 . 1 1 27 27 ALA HB3 H 1 1.660 0.000 . . . . . A 27 ALA HB3 . 25033 1 184 . 1 1 27 27 ALA C C 13 179.031 0.000 . . . . . A 27 ALA C . 25033 1 185 . 1 1 27 27 ALA CA C 13 54.425 0.000 . . . . . A 27 ALA CA . 25033 1 186 . 1 1 27 27 ALA CB C 13 18.374 0.000 . . . . . A 27 ALA CB . 25033 1 187 . 1 1 27 27 ALA N N 15 128.245 0.123 . . . . . A 27 ALA N . 25033 1 188 . 1 1 28 28 THR H H 1 8.065 0.004 . . . . . A 28 THR H . 25033 1 189 . 1 1 28 28 THR HA H 1 4.068 0.002 . . . . . A 28 THR HA . 25033 1 190 . 1 1 28 28 THR HB H 1 4.314 0.004 . . . . . A 28 THR HB . 25033 1 191 . 1 1 28 28 THR HG21 H 1 1.255 0.000 . . . . . A 28 THR HG21 . 25033 1 192 . 1 1 28 28 THR HG22 H 1 1.255 0.000 . . . . . A 28 THR HG22 . 25033 1 193 . 1 1 28 28 THR HG23 H 1 1.255 0.000 . . . . . A 28 THR HG23 . 25033 1 194 . 1 1 28 28 THR C C 13 176.084 0.000 . . . . . A 28 THR C . 25033 1 195 . 1 1 28 28 THR CA C 13 65.820 0.000 . . . . . A 28 THR CA . 25033 1 196 . 1 1 28 28 THR CB C 13 68.291 0.000 . . . . . A 28 THR CB . 25033 1 197 . 1 1 28 28 THR CG2 C 13 21.704 0.000 . . . . . A 28 THR CG2 . 25033 1 198 . 1 1 28 28 THR N N 15 113.994 0.190 . . . . . A 28 THR N . 25033 1 199 . 1 1 29 29 LYS H H 1 7.446 0.003 . . . . . A 29 LYS H . 25033 1 200 . 1 1 29 29 LYS HA H 1 4.256 0.001 . . . . . A 29 LYS HA . 25033 1 201 . 1 1 29 29 LYS HB2 H 1 1.097 0.001 . . . . . A 29 LYS HB2 . 25033 1 202 . 1 1 29 29 LYS HB3 H 1 1.834 0.001 . . . . . A 29 LYS HB3 . 25033 1 203 . 1 1 29 29 LYS HG2 H 1 1.374 0.003 . . . . . A 29 LYS HG2 . 25033 1 204 . 1 1 29 29 LYS HG3 H 1 1.433 0.001 . . . . . A 29 LYS HG3 . 25033 1 205 . 1 1 29 29 LYS HD2 H 1 1.599 0.000 . . . . . A 29 LYS HD2 . 25033 1 206 . 1 1 29 29 LYS HD3 H 1 1.599 0.000 . . . . . A 29 LYS HD3 . 25033 1 207 . 1 1 29 29 LYS HE2 H 1 3.006 0.000 . . . . . A 29 LYS HE2 . 25033 1 208 . 1 1 29 29 LYS HE3 H 1 3.048 0.000 . . . . . A 29 LYS HE3 . 25033 1 209 . 1 1 29 29 LYS C C 13 177.201 0.000 . . . . . A 29 LYS C . 25033 1 210 . 1 1 29 29 LYS CA C 13 56.888 0.000 . . . . . A 29 LYS CA . 25033 1 211 . 1 1 29 29 LYS CB C 13 33.740 0.000 . . . . . A 29 LYS CB . 25033 1 212 . 1 1 29 29 LYS CG C 13 25.912 0.000 . . . . . A 29 LYS CG . 25033 1 213 . 1 1 29 29 LYS CD C 13 29.243 0.000 . . . . . A 29 LYS CD . 25033 1 214 . 1 1 29 29 LYS CE C 13 42.229 0.000 . . . . . A 29 LYS CE . 25033 1 215 . 1 1 29 29 LYS N N 15 118.922 0.019 . . . . . A 29 LYS N . 25033 1 216 . 1 1 30 30 GLY H H 1 8.115 0.004 . . . . . A 30 GLY H . 25033 1 217 . 1 1 30 30 GLY HA2 H 1 3.608 0.000 . . . . . A 30 GLY HA2 . 25033 1 218 . 1 1 30 30 GLY HA3 H 1 3.987 0.007 . . . . . A 30 GLY HA3 . 25033 1 219 . 1 1 30 30 GLY C C 13 172.004 0.000 . . . . . A 30 GLY C . 25033 1 220 . 1 1 30 30 GLY CA C 13 46.404 0.000 . . . . . A 30 GLY CA . 25033 1 221 . 1 1 30 30 GLY N N 15 107.601 0.182 . . . . . A 30 GLY N . 25033 1 222 . 1 1 31 31 PHE H H 1 6.594 0.015 . . . . . A 31 PHE H . 25033 1 223 . 1 1 31 31 PHE HA H 1 5.007 0.002 . . . . . A 31 PHE HA . 25033 1 224 . 1 1 31 31 PHE HB2 H 1 2.832 0.007 . . . . . A 31 PHE HB2 . 25033 1 225 . 1 1 31 31 PHE HB3 H 1 2.832 0.007 . . . . . A 31 PHE HB3 . 25033 1 226 . 1 1 31 31 PHE HD1 H 1 6.907 0.001 . . . . . A 31 PHE HD1 . 25033 1 227 . 1 1 31 31 PHE HD2 H 1 6.907 0.001 . . . . . A 31 PHE HD2 . 25033 1 228 . 1 1 31 31 PHE HE1 H 1 7.552 0.000 . . . . . A 31 PHE HE1 . 25033 1 229 . 1 1 31 31 PHE HE2 H 1 7.552 0.000 . . . . . A 31 PHE HE2 . 25033 1 230 . 1 1 31 31 PHE CA C 13 55.278 0.000 . . . . . A 31 PHE CA . 25033 1 231 . 1 1 31 31 PHE CB C 13 42.388 0.000 . . . . . A 31 PHE CB . 25033 1 232 . 1 1 31 31 PHE CD1 C 13 132.476 0.008 . . . . . A 31 PHE CD1 . 25033 1 233 . 1 1 31 31 PHE CD2 C 13 132.476 0.000 . . . . . A 31 PHE CD2 . 25033 1 234 . 1 1 31 31 PHE CE1 C 13 131.264 0.000 . . . . . A 31 PHE CE1 . 25033 1 235 . 1 1 31 31 PHE CE2 C 13 131.264 0.000 . . . . . A 31 PHE CE2 . 25033 1 236 . 1 1 31 31 PHE N N 15 112.488 0.163 . . . . . A 31 PHE N . 25033 1 237 . 1 1 32 32 GLY H H 1 8.144 0.005 . . . . . A 32 GLY H . 25033 1 238 . 1 1 32 32 GLY HA2 H 1 3.935 0.000 . . . . . A 32 GLY HA2 . 25033 1 239 . 1 1 32 32 GLY HA3 H 1 2.968 0.000 . . . . . A 32 GLY HA3 . 25033 1 240 . 1 1 32 32 GLY C C 13 170.292 0.000 . . . . . A 32 GLY C . 25033 1 241 . 1 1 32 32 GLY CA C 13 45.369 0.000 . . . . . A 32 GLY CA . 25033 1 242 . 1 1 32 32 GLY N N 15 105.986 0.054 . . . . . A 32 GLY N . 25033 1 243 . 1 1 33 33 PHE H H 1 7.971 0.011 . . . . . A 33 PHE H . 25033 1 244 . 1 1 33 33 PHE HA H 1 5.463 0.002 . . . . . A 33 PHE HA . 25033 1 245 . 1 1 33 33 PHE HB2 H 1 2.211 0.001 . . . . . A 33 PHE HB2 . 25033 1 246 . 1 1 33 33 PHE HB3 H 1 2.614 0.000 . . . . . A 33 PHE HB3 . 25033 1 247 . 1 1 33 33 PHE C C 13 175.037 0.000 . . . . . A 33 PHE C . 25033 1 248 . 1 1 33 33 PHE CA C 13 56.295 0.000 . . . . . A 33 PHE CA . 25033 1 249 . 1 1 33 33 PHE CB C 13 44.792 0.000 . . . . . A 33 PHE CB . 25033 1 250 . 1 1 33 33 PHE N N 15 115.319 0.214 . . . . . A 33 PHE N . 25033 1 251 . 1 1 34 34 ILE H H 1 9.511 0.021 . . . . . A 34 ILE H . 25033 1 252 . 1 1 34 34 ILE HA H 1 4.317 0.001 . . . . . A 34 ILE HA . 25033 1 253 . 1 1 34 34 ILE HB H 1 1.011 0.001 . . . . . A 34 ILE HB . 25033 1 254 . 1 1 34 34 ILE HG12 H 1 0.493 0.000 . . . . . A 34 ILE HG12 . 25033 1 255 . 1 1 34 34 ILE HG13 H 1 1.210 0.000 . . . . . A 34 ILE HG13 . 25033 1 256 . 1 1 34 34 ILE HG21 H 1 0.209 0.003 . . . . . A 34 ILE HG21 . 25033 1 257 . 1 1 34 34 ILE HG22 H 1 0.209 0.003 . . . . . A 34 ILE HG22 . 25033 1 258 . 1 1 34 34 ILE HG23 H 1 0.209 0.003 . . . . . A 34 ILE HG23 . 25033 1 259 . 1 1 34 34 ILE HD11 H 1 0.150 0.002 . . . . . A 34 ILE HD11 . 25033 1 260 . 1 1 34 34 ILE HD12 H 1 0.150 0.002 . . . . . A 34 ILE HD12 . 25033 1 261 . 1 1 34 34 ILE HD13 H 1 0.150 0.002 . . . . . A 34 ILE HD13 . 25033 1 262 . 1 1 34 34 ILE C C 13 174.526 0.000 . . . . . A 34 ILE C . 25033 1 263 . 1 1 34 34 ILE CA C 13 59.797 0.000 . . . . . A 34 ILE CA . 25033 1 264 . 1 1 34 34 ILE CB C 13 42.583 0.000 . . . . . A 34 ILE CB . 25033 1 265 . 1 1 34 34 ILE CG1 C 13 28.106 0.000 . . . . . A 34 ILE CG1 . 25033 1 266 . 1 1 34 34 ILE CG2 C 13 17.509 0.000 . . . . . A 34 ILE CG2 . 25033 1 267 . 1 1 34 34 ILE CD1 C 13 14.601 0.000 . . . . . A 34 ILE CD1 . 25033 1 268 . 1 1 34 34 ILE N N 15 122.140 0.074 . . . . . A 34 ILE N . 25033 1 269 . 1 1 35 35 THR H H 1 9.416 0.023 . . . . . A 35 THR H . 25033 1 270 . 1 1 35 35 THR HA H 1 5.143 0.001 . . . . . A 35 THR HA . 25033 1 271 . 1 1 35 35 THR HB H 1 3.922 0.001 . . . . . A 35 THR HB . 25033 1 272 . 1 1 35 35 THR HG21 H 1 1.350 0.000 . . . . . A 35 THR HG21 . 25033 1 273 . 1 1 35 35 THR HG22 H 1 1.350 0.000 . . . . . A 35 THR HG22 . 25033 1 274 . 1 1 35 35 THR HG23 H 1 1.350 0.000 . . . . . A 35 THR HG23 . 25033 1 275 . 1 1 35 35 THR CA C 13 59.330 0.000 . . . . . A 35 THR CA . 25033 1 276 . 1 1 35 35 THR CB C 13 70.258 0.000 . . . . . A 35 THR CB . 25033 1 277 . 1 1 35 35 THR CG2 C 13 22.310 0.000 . . . . . A 35 THR CG2 . 25033 1 278 . 1 1 35 35 THR N N 15 126.580 0.072 . . . . . A 35 THR N . 25033 1 279 . 1 1 36 36 PRO HA H 1 4.599 0.000 . . . . . A 36 PRO HA . 25033 1 280 . 1 1 36 36 PRO HB2 H 1 2.292 0.000 . . . . . A 36 PRO HB2 . 25033 1 281 . 1 1 36 36 PRO HB3 H 1 2.411 0.000 . . . . . A 36 PRO HB3 . 25033 1 282 . 1 1 36 36 PRO HG2 H 1 1.933 0.000 . . . . . A 36 PRO HG2 . 25033 1 283 . 1 1 36 36 PRO HG3 H 1 2.065 0.000 . . . . . A 36 PRO HG3 . 25033 1 284 . 1 1 36 36 PRO HD2 H 1 3.725 0.000 . . . . . A 36 PRO HD2 . 25033 1 285 . 1 1 36 36 PRO HD3 H 1 4.204 0.000 . . . . . A 36 PRO HD3 . 25033 1 286 . 1 1 36 36 PRO C C 13 177.390 0.000 . . . . . A 36 PRO C . 25033 1 287 . 1 1 36 36 PRO CA C 13 63.220 0.000 . . . . . A 36 PRO CA . 25033 1 288 . 1 1 36 36 PRO CB C 13 32.470 0.000 . . . . . A 36 PRO CB . 25033 1 289 . 1 1 36 36 PRO CG C 13 27.580 0.000 . . . . . A 36 PRO CG . 25033 1 290 . 1 1 36 36 PRO CD C 13 52.690 0.000 . . . . . A 36 PRO CD . 25033 1 291 . 1 1 37 37 GLY H H 1 9.349 0.004 . . . . . A 37 GLY H . 25033 1 292 . 1 1 37 37 GLY HA2 H 1 3.602 0.001 . . . . . A 37 GLY HA2 . 25033 1 293 . 1 1 37 37 GLY HA3 H 1 3.995 0.000 . . . . . A 37 GLY HA3 . 25033 1 294 . 1 1 37 37 GLY C C 13 169.261 0.000 . . . . . A 37 GLY C . 25033 1 295 . 1 1 37 37 GLY CA C 13 46.457 0.000 . . . . . A 37 GLY CA . 25033 1 296 . 1 1 37 37 GLY N N 15 112.033 0.039 . . . . . A 37 GLY N . 25033 1 297 . 1 1 38 38 GLY H H 1 8.756 0.004 . . . . . A 38 GLY H . 25033 1 298 . 1 1 38 38 GLY C C 13 175.177 0.000 . . . . . A 38 GLY C . 25033 1 299 . 1 1 38 38 GLY N N 15 109.050 0.112 . . . . . A 38 GLY N . 25033 1 300 . 1 1 39 39 GLY H H 1 7.725 0.004 . . . . . A 39 GLY H . 25033 1 301 . 1 1 39 39 GLY HA2 H 1 3.995 0.001 . . . . . A 39 GLY HA2 . 25033 1 302 . 1 1 39 39 GLY HA3 H 1 4.556 0.000 . . . . . A 39 GLY HA3 . 25033 1 303 . 1 1 39 39 GLY C C 13 173.870 0.000 . . . . . A 39 GLY C . 25033 1 304 . 1 1 39 39 GLY CA C 13 44.258 0.000 . . . . . A 39 GLY CA . 25033 1 305 . 1 1 39 39 GLY N N 15 107.730 0.043 . . . . . A 39 GLY N . 25033 1 306 . 1 1 40 40 GLY H H 1 8.096 0.006 . . . . . A 40 GLY H . 25033 1 307 . 1 1 40 40 GLY HA2 H 1 4.227 0.001 . . . . . A 40 GLY HA2 . 25033 1 308 . 1 1 40 40 GLY HA3 H 1 3.923 0.001 . . . . . A 40 GLY HA3 . 25033 1 309 . 1 1 40 40 GLY C C 13 173.067 0.000 . . . . . A 40 GLY C . 25033 1 310 . 1 1 40 40 GLY CA C 13 43.760 0.000 . . . . . A 40 GLY CA . 25033 1 311 . 1 1 40 40 GLY N N 15 107.183 0.028 . . . . . A 40 GLY N . 25033 1 312 . 1 1 41 41 GLU H H 1 8.199 0.005 . . . . . A 41 GLU H . 25033 1 313 . 1 1 41 41 GLU HA H 1 4.178 0.000 . . . . . A 41 GLU HA . 25033 1 314 . 1 1 41 41 GLU HB2 H 1 1.985 0.001 . . . . . A 41 GLU HB2 . 25033 1 315 . 1 1 41 41 GLU HB3 H 1 2.102 0.003 . . . . . A 41 GLU HB3 . 25033 1 316 . 1 1 41 41 GLU HG2 H 1 2.414 0.000 . . . . . A 41 GLU HG2 . 25033 1 317 . 1 1 41 41 GLU HG3 H 1 2.414 0.000 . . . . . A 41 GLU HG3 . 25033 1 318 . 1 1 41 41 GLU C C 13 175.900 0.000 . . . . . A 41 GLU C . 25033 1 319 . 1 1 41 41 GLU CA C 13 56.377 0.000 . . . . . A 41 GLU CA . 25033 1 320 . 1 1 41 41 GLU CB C 13 30.600 0.000 . . . . . A 41 GLU CB . 25033 1 321 . 1 1 41 41 GLU CG C 13 36.543 0.000 . . . . . A 41 GLU CG . 25033 1 322 . 1 1 41 41 GLU N N 15 119.455 0.045 . . . . . A 41 GLU N . 25033 1 323 . 1 1 42 42 ASP H H 1 8.277 0.009 . . . . . A 42 ASP H . 25033 1 324 . 1 1 42 42 ASP HA H 1 4.857 0.004 . . . . . A 42 ASP HA . 25033 1 325 . 1 1 42 42 ASP HB2 H 1 2.411 0.002 . . . . . A 42 ASP HB2 . 25033 1 326 . 1 1 42 42 ASP HB3 H 1 2.411 0.002 . . . . . A 42 ASP HB3 . 25033 1 327 . 1 1 42 42 ASP C C 13 176.474 0.000 . . . . . A 42 ASP C . 25033 1 328 . 1 1 42 42 ASP CA C 13 55.441 0.000 . . . . . A 42 ASP CA . 25033 1 329 . 1 1 42 42 ASP CB C 13 41.488 0.000 . . . . . A 42 ASP CB . 25033 1 330 . 1 1 42 42 ASP N N 15 119.784 0.083 . . . . . A 42 ASP N . 25033 1 331 . 1 1 43 43 LEU H H 1 9.423 0.005 . . . . . A 43 LEU H . 25033 1 332 . 1 1 43 43 LEU HA H 1 4.687 0.001 . . . . . A 43 LEU HA . 25033 1 333 . 1 1 43 43 LEU HB2 H 1 1.266 0.001 . . . . . A 43 LEU HB2 . 25033 1 334 . 1 1 43 43 LEU HB3 H 1 1.317 0.001 . . . . . A 43 LEU HB3 . 25033 1 335 . 1 1 43 43 LEU HG H 1 1.629 0.000 . . . . . A 43 LEU HG . 25033 1 336 . 1 1 43 43 LEU HD11 H 1 0.695 0.002 . . . . . A 43 LEU HD11 . 25033 1 337 . 1 1 43 43 LEU HD12 H 1 0.695 0.002 . . . . . A 43 LEU HD12 . 25033 1 338 . 1 1 43 43 LEU HD13 H 1 0.695 0.002 . . . . . A 43 LEU HD13 . 25033 1 339 . 1 1 43 43 LEU HD21 H 1 0.719 0.000 . . . . . A 43 LEU HD21 . 25033 1 340 . 1 1 43 43 LEU HD22 H 1 0.719 0.000 . . . . . A 43 LEU HD22 . 25033 1 341 . 1 1 43 43 LEU HD23 H 1 0.719 0.000 . . . . . A 43 LEU HD23 . 25033 1 342 . 1 1 43 43 LEU C C 13 175.759 0.000 . . . . . A 43 LEU C . 25033 1 343 . 1 1 43 43 LEU CA C 13 53.304 0.000 . . . . . A 43 LEU CA . 25033 1 344 . 1 1 43 43 LEU CB C 13 45.449 0.000 . . . . . A 43 LEU CB . 25033 1 345 . 1 1 43 43 LEU CG C 13 27.149 0.000 . . . . . A 43 LEU CG . 25033 1 346 . 1 1 43 43 LEU CD1 C 13 27.511 0.000 . . . . . A 43 LEU CD1 . 25033 1 347 . 1 1 43 43 LEU CD2 C 13 25.896 0.000 . . . . . A 43 LEU CD2 . 25033 1 348 . 1 1 43 43 LEU N N 15 122.515 0.144 . . . . . A 43 LEU N . 25033 1 349 . 1 1 44 44 PHE H H 1 8.465 0.008 . . . . . A 44 PHE H . 25033 1 350 . 1 1 44 44 PHE HA H 1 3.922 0.002 . . . . . A 44 PHE HA . 25033 1 351 . 1 1 44 44 PHE HB2 H 1 3.029 0.002 . . . . . A 44 PHE HB2 . 25033 1 352 . 1 1 44 44 PHE HB3 H 1 2.777 0.001 . . . . . A 44 PHE HB3 . 25033 1 353 . 1 1 44 44 PHE HD1 H 1 6.910 0.000 . . . . . A 44 PHE HD1 . 25033 1 354 . 1 1 44 44 PHE HD2 H 1 6.910 0.000 . . . . . A 44 PHE HD2 . 25033 1 355 . 1 1 44 44 PHE HE1 H 1 7.481 0.000 . . . . . A 44 PHE HE1 . 25033 1 356 . 1 1 44 44 PHE HE2 H 1 7.481 0.000 . . . . . A 44 PHE HE2 . 25033 1 357 . 1 1 44 44 PHE C C 13 172.844 0.000 . . . . . A 44 PHE C . 25033 1 358 . 1 1 44 44 PHE CA C 13 57.880 0.000 . . . . . A 44 PHE CA . 25033 1 359 . 1 1 44 44 PHE CB C 13 40.350 0.000 . . . . . A 44 PHE CB . 25033 1 360 . 1 1 44 44 PHE N N 15 125.962 0.055 . . . . . A 44 PHE N . 25033 1 361 . 1 1 45 45 VAL H H 1 7.715 0.005 . . . . . A 45 VAL H . 25033 1 362 . 1 1 45 45 VAL HA H 1 4.657 0.002 . . . . . A 45 VAL HA . 25033 1 363 . 1 1 45 45 VAL HB H 1 1.584 0.001 . . . . . A 45 VAL HB . 25033 1 364 . 1 1 45 45 VAL HG11 H 1 0.478 0.000 . . . . . A 45 VAL HG11 . 25033 1 365 . 1 1 45 45 VAL HG12 H 1 0.478 0.000 . . . . . A 45 VAL HG12 . 25033 1 366 . 1 1 45 45 VAL HG13 H 1 0.478 0.000 . . . . . A 45 VAL HG13 . 25033 1 367 . 1 1 45 45 VAL HG21 H 1 0.679 0.000 . . . . . A 45 VAL HG21 . 25033 1 368 . 1 1 45 45 VAL HG22 H 1 0.679 0.000 . . . . . A 45 VAL HG22 . 25033 1 369 . 1 1 45 45 VAL HG23 H 1 0.679 0.000 . . . . . A 45 VAL HG23 . 25033 1 370 . 1 1 45 45 VAL C C 13 177.433 0.000 . . . . . A 45 VAL C . 25033 1 371 . 1 1 45 45 VAL CA C 13 58.460 0.000 . . . . . A 45 VAL CA . 25033 1 372 . 1 1 45 45 VAL CB C 13 34.884 0.000 . . . . . A 45 VAL CB . 25033 1 373 . 1 1 45 45 VAL CG1 C 13 18.277 0.000 . . . . . A 45 VAL CG1 . 25033 1 374 . 1 1 45 45 VAL CG2 C 13 22.890 0.000 . . . . . A 45 VAL CG2 . 25033 1 375 . 1 1 45 45 VAL N N 15 123.552 0.072 . . . . . A 45 VAL N . 25033 1 376 . 1 1 46 46 HIS H H 1 9.104 0.015 . . . . . A 46 HIS H . 25033 1 377 . 1 1 46 46 HIS HA H 1 4.825 0.002 . . . . . A 46 HIS HA . 25033 1 378 . 1 1 46 46 HIS HB2 H 1 3.118 0.002 . . . . . A 46 HIS HB2 . 25033 1 379 . 1 1 46 46 HIS HB3 H 1 3.118 0.002 . . . . . A 46 HIS HB3 . 25033 1 380 . 1 1 46 46 HIS C C 13 176.469 0.000 . . . . . A 46 HIS C . 25033 1 381 . 1 1 46 46 HIS CA C 13 55.929 0.000 . . . . . A 46 HIS CA . 25033 1 382 . 1 1 46 46 HIS CB C 13 34.399 0.000 . . . . . A 46 HIS CB . 25033 1 383 . 1 1 46 46 HIS N N 15 127.300 0.203 . . . . . A 46 HIS N . 25033 1 384 . 1 1 47 47 GLN H H 1 8.352 0.004 . . . . . A 47 GLN H . 25033 1 385 . 1 1 47 47 GLN N N 15 125.105 0.060 . . . . . A 47 GLN N . 25033 1 386 . 1 1 48 48 THR HA H 1 4.310 0.000 . . . . . A 48 THR HA . 25033 1 387 . 1 1 48 48 THR HB H 1 4.395 0.001 . . . . . A 48 THR HB . 25033 1 388 . 1 1 48 48 THR HG21 H 1 1.472 0.001 . . . . . A 48 THR HG21 . 25033 1 389 . 1 1 48 48 THR HG22 H 1 1.472 0.001 . . . . . A 48 THR HG22 . 25033 1 390 . 1 1 48 48 THR HG23 H 1 1.472 0.001 . . . . . A 48 THR HG23 . 25033 1 391 . 1 1 48 48 THR C C 13 175.568 0.000 . . . . . A 48 THR C . 25033 1 392 . 1 1 48 48 THR CA C 13 64.770 0.001 . . . . . A 48 THR CA . 25033 1 393 . 1 1 48 48 THR CB C 13 70.054 0.000 . . . . . A 48 THR CB . 25033 1 394 . 1 1 48 48 THR CG2 C 13 22.498 0.000 . . . . . A 48 THR CG2 . 25033 1 395 . 1 1 49 49 ASN H H 1 8.452 0.004 . . . . . A 49 ASN H . 25033 1 396 . 1 1 49 49 ASN HA H 1 5.160 0.000 . . . . . A 49 ASN HA . 25033 1 397 . 1 1 49 49 ASN HB2 H 1 3.529 0.001 . . . . . A 49 ASN HB2 . 25033 1 398 . 1 1 49 49 ASN HB3 H 1 2.874 0.000 . . . . . A 49 ASN HB3 . 25033 1 399 . 1 1 49 49 ASN HD21 H 1 7.238 0.002 . . . . . A 49 ASN HD21 . 25033 1 400 . 1 1 49 49 ASN HD22 H 1 8.164 0.004 . . . . . A 49 ASN HD22 . 25033 1 401 . 1 1 49 49 ASN C C 13 172.914 0.000 . . . . . A 49 ASN C . 25033 1 402 . 1 1 49 49 ASN CA C 13 54.351 0.000 . . . . . A 49 ASN CA . 25033 1 403 . 1 1 49 49 ASN CB C 13 40.527 0.000 . . . . . A 49 ASN CB . 25033 1 404 . 1 1 49 49 ASN N N 15 118.142 0.043 . . . . . A 49 ASN N . 25033 1 405 . 1 1 49 49 ASN ND2 N 15 110.371 0.046 . . . . . A 49 ASN ND2 . 25033 1 406 . 1 1 50 50 ILE H H 1 7.354 0.002 . . . . . A 50 ILE H . 25033 1 407 . 1 1 50 50 ILE HA H 1 4.112 0.001 . . . . . A 50 ILE HA . 25033 1 408 . 1 1 50 50 ILE HB H 1 1.852 0.001 . . . . . A 50 ILE HB . 25033 1 409 . 1 1 50 50 ILE HG12 H 1 1.625 0.013 . . . . . A 50 ILE HG12 . 25033 1 410 . 1 1 50 50 ILE HG13 H 1 1.625 0.013 . . . . . A 50 ILE HG13 . 25033 1 411 . 1 1 50 50 ILE HG21 H 1 0.670 0.002 . . . . . A 50 ILE HG21 . 25033 1 412 . 1 1 50 50 ILE HG22 H 1 0.670 0.002 . . . . . A 50 ILE HG22 . 25033 1 413 . 1 1 50 50 ILE HG23 H 1 0.670 0.002 . . . . . A 50 ILE HG23 . 25033 1 414 . 1 1 50 50 ILE HD11 H 1 0.497 0.001 . . . . . A 50 ILE HD11 . 25033 1 415 . 1 1 50 50 ILE HD12 H 1 0.497 0.001 . . . . . A 50 ILE HD12 . 25033 1 416 . 1 1 50 50 ILE HD13 H 1 0.497 0.001 . . . . . A 50 ILE HD13 . 25033 1 417 . 1 1 50 50 ILE CA C 13 61.606 0.000 . . . . . A 50 ILE CA . 25033 1 418 . 1 1 50 50 ILE CB C 13 38.362 0.000 . . . . . A 50 ILE CB . 25033 1 419 . 1 1 50 50 ILE CG1 C 13 27.422 0.000 . . . . . A 50 ILE CG1 . 25033 1 420 . 1 1 50 50 ILE CG2 C 13 17.530 0.000 . . . . . A 50 ILE CG2 . 25033 1 421 . 1 1 50 50 ILE CD1 C 13 14.470 0.000 . . . . . A 50 ILE CD1 . 25033 1 422 . 1 1 50 50 ILE N N 15 119.226 0.027 . . . . . A 50 ILE N . 25033 1 423 . 1 1 51 51 ASN H H 1 9.266 0.000 . . . . . A 51 ASN H . 25033 1 424 . 1 1 51 51 ASN C C 13 174.614 0.000 . . . . . A 51 ASN C . 25033 1 425 . 1 1 51 51 ASN N N 15 128.460 0.000 . . . . . A 51 ASN N . 25033 1 426 . 1 1 52 52 SER H H 1 7.973 0.003 . . . . . A 52 SER H . 25033 1 427 . 1 1 52 52 SER HA H 1 4.413 0.004 . . . . . A 52 SER HA . 25033 1 428 . 1 1 52 52 SER HB2 H 1 3.787 0.000 . . . . . A 52 SER HB2 . 25033 1 429 . 1 1 52 52 SER HB3 H 1 3.827 0.000 . . . . . A 52 SER HB3 . 25033 1 430 . 1 1 52 52 SER C C 13 174.139 0.000 . . . . . A 52 SER C . 25033 1 431 . 1 1 52 52 SER CA C 13 58.378 0.000 . . . . . A 52 SER CA . 25033 1 432 . 1 1 52 52 SER CB C 13 64.371 0.000 . . . . . A 52 SER CB . 25033 1 433 . 1 1 52 52 SER N N 15 117.246 0.033 . . . . . A 52 SER N . 25033 1 434 . 1 1 53 53 GLU H H 1 8.641 0.004 . . . . . A 53 GLU H . 25033 1 435 . 1 1 53 53 GLU HA H 1 4.298 0.000 . . . . . A 53 GLU HA . 25033 1 436 . 1 1 53 53 GLU HB2 H 1 1.958 0.000 . . . . . A 53 GLU HB2 . 25033 1 437 . 1 1 53 53 GLU HB3 H 1 2.078 0.000 . . . . . A 53 GLU HB3 . 25033 1 438 . 1 1 53 53 GLU HG2 H 1 2.277 0.001 . . . . . A 53 GLU HG2 . 25033 1 439 . 1 1 53 53 GLU HG3 H 1 2.277 0.001 . . . . . A 53 GLU HG3 . 25033 1 440 . 1 1 53 53 GLU C C 13 176.960 0.000 . . . . . A 53 GLU C . 25033 1 441 . 1 1 53 53 GLU CA C 13 57.270 0.000 . . . . . A 53 GLU CA . 25033 1 442 . 1 1 53 53 GLU CB C 13 29.861 0.000 . . . . . A 53 GLU CB . 25033 1 443 . 1 1 53 53 GLU CG C 13 36.700 0.000 . . . . . A 53 GLU CG . 25033 1 444 . 1 1 53 53 GLU N N 15 123.628 0.071 . . . . . A 53 GLU N . 25033 1 445 . 1 1 54 54 GLY H H 1 8.225 0.004 . . . . . A 54 GLY H . 25033 1 446 . 1 1 54 54 GLY HA2 H 1 3.795 0.000 . . . . . A 54 GLY HA2 . 25033 1 447 . 1 1 54 54 GLY HA3 H 1 4.352 0.001 . . . . . A 54 GLY HA3 . 25033 1 448 . 1 1 54 54 GLY CA C 13 44.600 0.000 . . . . . A 54 GLY CA . 25033 1 449 . 1 1 54 54 GLY N N 15 110.282 0.043 . . . . . A 54 GLY N . 25033 1 450 . 1 1 55 55 PHE HA H 1 4.820 0.001 . . . . . A 55 PHE HA . 25033 1 451 . 1 1 55 55 PHE HB2 H 1 2.611 0.000 . . . . . A 55 PHE HB2 . 25033 1 452 . 1 1 55 55 PHE HB3 H 1 2.801 0.000 . . . . . A 55 PHE HB3 . 25033 1 453 . 1 1 55 55 PHE C C 13 175.836 0.000 . . . . . A 55 PHE C . 25033 1 454 . 1 1 55 55 PHE CA C 13 52.690 0.000 . . . . . A 55 PHE CA . 25033 1 455 . 1 1 55 55 PHE CB C 13 38.095 0.000 . . . . . A 55 PHE CB . 25033 1 456 . 1 1 56 56 ARG H H 1 8.153 0.003 . . . . . A 56 ARG H . 25033 1 457 . 1 1 56 56 ARG HA H 1 4.264 0.002 . . . . . A 56 ARG HA . 25033 1 458 . 1 1 56 56 ARG HB2 H 1 1.502 0.001 . . . . . A 56 ARG HB2 . 25033 1 459 . 1 1 56 56 ARG HB3 H 1 1.657 0.000 . . . . . A 56 ARG HB3 . 25033 1 460 . 1 1 56 56 ARG HG2 H 1 1.137 0.000 . . . . . A 56 ARG HG2 . 25033 1 461 . 1 1 56 56 ARG HG3 H 1 1.458 0.001 . . . . . A 56 ARG HG3 . 25033 1 462 . 1 1 56 56 ARG HD2 H 1 2.789 0.000 . . . . . A 56 ARG HD2 . 25033 1 463 . 1 1 56 56 ARG HD3 H 1 3.101 0.001 . . . . . A 56 ARG HD3 . 25033 1 464 . 1 1 56 56 ARG C C 13 175.618 0.000 . . . . . A 56 ARG C . 25033 1 465 . 1 1 56 56 ARG CA C 13 55.510 0.000 . . . . . A 56 ARG CA . 25033 1 466 . 1 1 56 56 ARG CB C 13 32.020 0.000 . . . . . A 56 ARG CB . 25033 1 467 . 1 1 56 56 ARG CG C 13 27.010 0.000 . . . . . A 56 ARG CG . 25033 1 468 . 1 1 56 56 ARG CD C 13 43.860 0.000 . . . . . A 56 ARG CD . 25033 1 469 . 1 1 56 56 ARG N N 15 120.907 0.050 . . . . . A 56 ARG N . 25033 1 470 . 1 1 57 57 SER H H 1 7.834 0.009 . . . . . A 57 SER H . 25033 1 471 . 1 1 57 57 SER N N 15 123.117 0.044 . . . . . A 57 SER N . 25033 1 472 . 1 1 58 58 LEU HA H 1 4.280 0.001 . . . . . A 58 LEU HA . 25033 1 473 . 1 1 58 58 LEU HB2 H 1 0.445 0.001 . . . . . A 58 LEU HB2 . 25033 1 474 . 1 1 58 58 LEU HB3 H 1 0.935 0.000 . . . . . A 58 LEU HB3 . 25033 1 475 . 1 1 58 58 LEU HG H 1 0.763 0.000 . . . . . A 58 LEU HG . 25033 1 476 . 1 1 58 58 LEU HD11 H 1 0.352 0.000 . . . . . A 58 LEU HD11 . 25033 1 477 . 1 1 58 58 LEU HD12 H 1 0.352 0.000 . . . . . A 58 LEU HD12 . 25033 1 478 . 1 1 58 58 LEU HD13 H 1 0.352 0.000 . . . . . A 58 LEU HD13 . 25033 1 479 . 1 1 58 58 LEU HD21 H 1 0.266 0.000 . . . . . A 58 LEU HD21 . 25033 1 480 . 1 1 58 58 LEU HD22 H 1 0.266 0.000 . . . . . A 58 LEU HD22 . 25033 1 481 . 1 1 58 58 LEU HD23 H 1 0.266 0.000 . . . . . A 58 LEU HD23 . 25033 1 482 . 1 1 58 58 LEU C C 13 174.842 0.000 . . . . . A 58 LEU C . 25033 1 483 . 1 1 58 58 LEU CA C 13 53.760 0.000 . . . . . A 58 LEU CA . 25033 1 484 . 1 1 58 58 LEU CB C 13 42.580 0.000 . . . . . A 58 LEU CB . 25033 1 485 . 1 1 58 58 LEU CG C 13 26.600 0.000 . . . . . A 58 LEU CG . 25033 1 486 . 1 1 58 58 LEU CD1 C 13 21.930 0.000 . . . . . A 58 LEU CD1 . 25033 1 487 . 1 1 58 58 LEU CD2 C 13 25.250 0.000 . . . . . A 58 LEU CD2 . 25033 1 488 . 1 1 59 59 ARG H H 1 8.529 0.003 . . . . . A 59 ARG H . 25033 1 489 . 1 1 59 59 ARG HA H 1 4.585 0.001 . . . . . A 59 ARG HA . 25033 1 490 . 1 1 59 59 ARG HB2 H 1 1.635 0.002 . . . . . A 59 ARG HB2 . 25033 1 491 . 1 1 59 59 ARG HB3 H 1 1.790 0.002 . . . . . A 59 ARG HB3 . 25033 1 492 . 1 1 59 59 ARG HG2 H 1 1.589 0.000 . . . . . A 59 ARG HG2 . 25033 1 493 . 1 1 59 59 ARG HG3 H 1 1.589 0.000 . . . . . A 59 ARG HG3 . 25033 1 494 . 1 1 59 59 ARG HD2 H 1 3.140 0.000 . . . . . A 59 ARG HD2 . 25033 1 495 . 1 1 59 59 ARG HD3 H 1 3.193 0.000 . . . . . A 59 ARG HD3 . 25033 1 496 . 1 1 59 59 ARG C C 13 175.256 0.000 . . . . . A 59 ARG C . 25033 1 497 . 1 1 59 59 ARG CA C 13 54.112 0.000 . . . . . A 59 ARG CA . 25033 1 498 . 1 1 59 59 ARG CB C 13 32.970 0.000 . . . . . A 59 ARG CB . 25033 1 499 . 1 1 59 59 ARG CG C 13 27.120 0.000 . . . . . A 59 ARG CG . 25033 1 500 . 1 1 59 59 ARG CD C 13 43.440 0.000 . . . . . A 59 ARG CD . 25033 1 501 . 1 1 59 59 ARG N N 15 119.557 0.020 . . . . . A 59 ARG N . 25033 1 502 . 1 1 60 60 GLU H H 1 8.691 0.006 . . . . . A 60 GLU H . 25033 1 503 . 1 1 60 60 GLU HA H 1 3.581 0.005 . . . . . A 60 GLU HA . 25033 1 504 . 1 1 60 60 GLU HB2 H 1 2.120 0.002 . . . . . A 60 GLU HB2 . 25033 1 505 . 1 1 60 60 GLU HB3 H 1 2.028 0.003 . . . . . A 60 GLU HB3 . 25033 1 506 . 1 1 60 60 GLU HG2 H 1 2.322 0.001 . . . . . A 60 GLU HG2 . 25033 1 507 . 1 1 60 60 GLU HG3 H 1 2.563 0.001 . . . . . A 60 GLU HG3 . 25033 1 508 . 1 1 60 60 GLU C C 13 177.281 0.000 . . . . . A 60 GLU C . 25033 1 509 . 1 1 60 60 GLU CA C 13 58.301 0.000 . . . . . A 60 GLU CA . 25033 1 510 . 1 1 60 60 GLU CB C 13 29.261 0.000 . . . . . A 60 GLU CB . 25033 1 511 . 1 1 60 60 GLU CG C 13 36.110 0.000 . . . . . A 60 GLU CG . 25033 1 512 . 1 1 60 60 GLU N N 15 121.597 0.111 . . . . . A 60 GLU N . 25033 1 513 . 1 1 61 61 GLY H H 1 9.151 0.007 . . . . . A 61 GLY H . 25033 1 514 . 1 1 61 61 GLY HA2 H 1 3.582 0.000 . . . . . A 61 GLY HA2 . 25033 1 515 . 1 1 61 61 GLY HA3 H 1 4.355 0.002 . . . . . A 61 GLY HA3 . 25033 1 516 . 1 1 61 61 GLY C C 13 174.068 0.000 . . . . . A 61 GLY C . 25033 1 517 . 1 1 61 61 GLY CA C 13 45.243 0.000 . . . . . A 61 GLY CA . 25033 1 518 . 1 1 61 61 GLY N N 15 113.554 0.053 . . . . . A 61 GLY N . 25033 1 519 . 1 1 62 62 GLU H H 1 7.889 0.003 . . . . . A 62 GLU H . 25033 1 520 . 1 1 62 62 GLU HA H 1 4.204 0.001 . . . . . A 62 GLU HA . 25033 1 521 . 1 1 62 62 GLU HB2 H 1 2.128 0.001 . . . . . A 62 GLU HB2 . 25033 1 522 . 1 1 62 62 GLU HB3 H 1 1.909 0.000 . . . . . A 62 GLU HB3 . 25033 1 523 . 1 1 62 62 GLU HG2 H 1 2.235 0.001 . . . . . A 62 GLU HG2 . 25033 1 524 . 1 1 62 62 GLU HG3 H 1 2.235 0.001 . . . . . A 62 GLU HG3 . 25033 1 525 . 1 1 62 62 GLU C C 13 175.439 0.000 . . . . . A 62 GLU C . 25033 1 526 . 1 1 62 62 GLU CA C 13 57.342 0.000 . . . . . A 62 GLU CA . 25033 1 527 . 1 1 62 62 GLU CB C 13 30.925 0.000 . . . . . A 62 GLU CB . 25033 1 528 . 1 1 62 62 GLU CG C 13 36.988 0.000 . . . . . A 62 GLU CG . 25033 1 529 . 1 1 62 62 GLU N N 15 121.639 0.042 . . . . . A 62 GLU N . 25033 1 530 . 1 1 63 63 VAL H H 1 8.477 0.004 . . . . . A 63 VAL H . 25033 1 531 . 1 1 63 63 VAL HA H 1 4.748 0.000 . . . . . A 63 VAL HA . 25033 1 532 . 1 1 63 63 VAL HB H 1 1.993 0.000 . . . . . A 63 VAL HB . 25033 1 533 . 1 1 63 63 VAL HG11 H 1 1.043 0.000 . . . . . A 63 VAL HG11 . 25033 1 534 . 1 1 63 63 VAL HG12 H 1 1.043 0.000 . . . . . A 63 VAL HG12 . 25033 1 535 . 1 1 63 63 VAL HG13 H 1 1.043 0.000 . . . . . A 63 VAL HG13 . 25033 1 536 . 1 1 63 63 VAL HG21 H 1 0.981 0.000 . . . . . A 63 VAL HG21 . 25033 1 537 . 1 1 63 63 VAL HG22 H 1 0.981 0.000 . . . . . A 63 VAL HG22 . 25033 1 538 . 1 1 63 63 VAL HG23 H 1 0.981 0.000 . . . . . A 63 VAL HG23 . 25033 1 539 . 1 1 63 63 VAL C C 13 176.639 0.000 . . . . . A 63 VAL C . 25033 1 540 . 1 1 63 63 VAL CA C 13 62.631 0.000 . . . . . A 63 VAL CA . 25033 1 541 . 1 1 63 63 VAL CB C 13 32.357 0.000 . . . . . A 63 VAL CB . 25033 1 542 . 1 1 63 63 VAL CG1 C 13 21.610 0.001 . . . . . A 63 VAL CG1 . 25033 1 543 . 1 1 63 63 VAL CG2 C 13 21.615 0.000 . . . . . A 63 VAL CG2 . 25033 1 544 . 1 1 63 63 VAL N N 15 125.003 0.051 . . . . . A 63 VAL N . 25033 1 545 . 1 1 64 64 VAL H H 1 8.686 0.007 . . . . . A 64 VAL H . 25033 1 546 . 1 1 64 64 VAL HA H 1 5.004 0.001 . . . . . A 64 VAL HA . 25033 1 547 . 1 1 64 64 VAL HB H 1 2.188 0.001 . . . . . A 64 VAL HB . 25033 1 548 . 1 1 64 64 VAL HG11 H 1 0.628 0.001 . . . . . A 64 VAL HG11 . 25033 1 549 . 1 1 64 64 VAL HG12 H 1 0.628 0.001 . . . . . A 64 VAL HG12 . 25033 1 550 . 1 1 64 64 VAL HG13 H 1 0.628 0.001 . . . . . A 64 VAL HG13 . 25033 1 551 . 1 1 64 64 VAL HG21 H 1 0.551 0.000 . . . . . A 64 VAL HG21 . 25033 1 552 . 1 1 64 64 VAL HG22 H 1 0.551 0.000 . . . . . A 64 VAL HG22 . 25033 1 553 . 1 1 64 64 VAL HG23 H 1 0.551 0.000 . . . . . A 64 VAL HG23 . 25033 1 554 . 1 1 64 64 VAL C C 13 173.790 0.000 . . . . . A 64 VAL C . 25033 1 555 . 1 1 64 64 VAL CA C 13 58.609 0.000 . . . . . A 64 VAL CA . 25033 1 556 . 1 1 64 64 VAL CB C 13 36.360 0.000 . . . . . A 64 VAL CB . 25033 1 557 . 1 1 64 64 VAL CG1 C 13 22.679 0.003 . . . . . A 64 VAL CG1 . 25033 1 558 . 1 1 64 64 VAL CG2 C 13 18.060 0.000 . . . . . A 64 VAL CG2 . 25033 1 559 . 1 1 64 64 VAL N N 15 120.113 0.045 . . . . . A 64 VAL N . 25033 1 560 . 1 1 65 65 GLU H H 1 9.003 0.014 . . . . . A 65 GLU H . 25033 1 561 . 1 1 65 65 GLU HA H 1 5.447 0.000 . . . . . A 65 GLU HA . 25033 1 562 . 1 1 65 65 GLU HB2 H 1 1.886 0.000 . . . . . A 65 GLU HB2 . 25033 1 563 . 1 1 65 65 GLU HB3 H 1 1.937 0.000 . . . . . A 65 GLU HB3 . 25033 1 564 . 1 1 65 65 GLU HG2 H 1 2.209 0.001 . . . . . A 65 GLU HG2 . 25033 1 565 . 1 1 65 65 GLU HG3 H 1 2.087 0.002 . . . . . A 65 GLU HG3 . 25033 1 566 . 1 1 65 65 GLU C C 13 175.584 0.000 . . . . . A 65 GLU C . 25033 1 567 . 1 1 65 65 GLU CA C 13 54.390 0.000 . . . . . A 65 GLU CA . 25033 1 568 . 1 1 65 65 GLU CB C 13 34.003 0.000 . . . . . A 65 GLU CB . 25033 1 569 . 1 1 65 65 GLU CG C 13 37.755 0.000 . . . . . A 65 GLU CG . 25033 1 570 . 1 1 65 65 GLU N N 15 120.433 0.043 . . . . . A 65 GLU N . 25033 1 571 . 1 1 66 66 PHE H H 1 8.172 0.006 . . . . . A 66 PHE H . 25033 1 572 . 1 1 66 66 PHE HA H 1 5.061 0.001 . . . . . A 66 PHE HA . 25033 1 573 . 1 1 66 66 PHE HB2 H 1 3.253 0.002 . . . . . A 66 PHE HB2 . 25033 1 574 . 1 1 66 66 PHE HB3 H 1 3.056 0.003 . . . . . A 66 PHE HB3 . 25033 1 575 . 1 1 66 66 PHE HD1 H 1 6.689 0.001 . . . . . A 66 PHE HD1 . 25033 1 576 . 1 1 66 66 PHE HD2 H 1 6.689 0.001 . . . . . A 66 PHE HD2 . 25033 1 577 . 1 1 66 66 PHE HE1 H 1 6.770 0.000 . . . . . A 66 PHE HE1 . 25033 1 578 . 1 1 66 66 PHE HE2 H 1 6.770 0.000 . . . . . A 66 PHE HE2 . 25033 1 579 . 1 1 66 66 PHE HZ H 1 7.283 0.000 . . . . . A 66 PHE HZ . 25033 1 580 . 1 1 66 66 PHE C C 13 173.001 0.000 . . . . . A 66 PHE C . 25033 1 581 . 1 1 66 66 PHE CA C 13 56.857 0.000 . . . . . A 66 PHE CA . 25033 1 582 . 1 1 66 66 PHE CB C 13 41.432 0.000 . . . . . A 66 PHE CB . 25033 1 583 . 1 1 66 66 PHE CD1 C 13 131.970 0.000 . . . . . A 66 PHE CD1 . 25033 1 584 . 1 1 66 66 PHE CD2 C 13 131.970 0.000 . . . . . A 66 PHE CD2 . 25033 1 585 . 1 1 66 66 PHE CE1 C 13 128.785 0.000 . . . . . A 66 PHE CE1 . 25033 1 586 . 1 1 66 66 PHE CE2 C 13 128.785 0.000 . . . . . A 66 PHE CE2 . 25033 1 587 . 1 1 66 66 PHE CZ C 13 129.861 0.000 . . . . . A 66 PHE CZ . 25033 1 588 . 1 1 66 66 PHE N N 15 116.104 0.039 . . . . . A 66 PHE N . 25033 1 589 . 1 1 67 67 GLU H H 1 8.668 0.010 . . . . . A 67 GLU H . 25033 1 590 . 1 1 67 67 GLU HA H 1 4.872 0.002 . . . . . A 67 GLU HA . 25033 1 591 . 1 1 67 67 GLU HB2 H 1 2.135 0.001 . . . . . A 67 GLU HB2 . 25033 1 592 . 1 1 67 67 GLU HB3 H 1 1.860 0.001 . . . . . A 67 GLU HB3 . 25033 1 593 . 1 1 67 67 GLU HG2 H 1 2.195 0.000 . . . . . A 67 GLU HG2 . 25033 1 594 . 1 1 67 67 GLU HG3 H 1 2.343 0.000 . . . . . A 67 GLU HG3 . 25033 1 595 . 1 1 67 67 GLU C C 13 175.327 0.000 . . . . . A 67 GLU C . 25033 1 596 . 1 1 67 67 GLU CA C 13 54.641 0.000 . . . . . A 67 GLU CA . 25033 1 597 . 1 1 67 67 GLU CB C 13 33.020 0.000 . . . . . A 67 GLU CB . 25033 1 598 . 1 1 67 67 GLU CG C 13 37.360 0.000 . . . . . A 67 GLU CG . 25033 1 599 . 1 1 67 67 GLU N N 15 117.574 0.042 . . . . . A 67 GLU N . 25033 1 600 . 1 1 68 68 VAL H H 1 8.748 0.003 . . . . . A 68 VAL H . 25033 1 601 . 1 1 68 68 VAL HA H 1 5.012 0.003 . . . . . A 68 VAL HA . 25033 1 602 . 1 1 68 68 VAL HB H 1 2.007 0.001 . . . . . A 68 VAL HB . 25033 1 603 . 1 1 68 68 VAL HG11 H 1 0.976 0.000 . . . . . A 68 VAL HG11 . 25033 1 604 . 1 1 68 68 VAL HG12 H 1 0.976 0.000 . . . . . A 68 VAL HG12 . 25033 1 605 . 1 1 68 68 VAL HG13 H 1 0.976 0.000 . . . . . A 68 VAL HG13 . 25033 1 606 . 1 1 68 68 VAL HG21 H 1 1.120 0.002 . . . . . A 68 VAL HG21 . 25033 1 607 . 1 1 68 68 VAL HG22 H 1 1.120 0.002 . . . . . A 68 VAL HG22 . 25033 1 608 . 1 1 68 68 VAL HG23 H 1 1.120 0.002 . . . . . A 68 VAL HG23 . 25033 1 609 . 1 1 68 68 VAL C C 13 176.140 0.000 . . . . . A 68 VAL C . 25033 1 610 . 1 1 68 68 VAL CA C 13 62.338 0.000 . . . . . A 68 VAL CA . 25033 1 611 . 1 1 68 68 VAL CB C 13 34.006 0.000 . . . . . A 68 VAL CB . 25033 1 612 . 1 1 68 68 VAL CG1 C 13 21.620 0.000 . . . . . A 68 VAL CG1 . 25033 1 613 . 1 1 68 68 VAL CG2 C 13 22.440 0.000 . . . . . A 68 VAL CG2 . 25033 1 614 . 1 1 68 68 VAL N N 15 120.881 0.083 . . . . . A 68 VAL N . 25033 1 615 . 1 1 69 69 GLU H H 1 9.070 0.011 . . . . . A 69 GLU H . 25033 1 616 . 1 1 69 69 GLU HA H 1 4.705 0.001 . . . . . A 69 GLU HA . 25033 1 617 . 1 1 69 69 GLU HB2 H 1 1.838 0.000 . . . . . A 69 GLU HB2 . 25033 1 618 . 1 1 69 69 GLU HB3 H 1 1.972 0.001 . . . . . A 69 GLU HB3 . 25033 1 619 . 1 1 69 69 GLU HG2 H 1 2.199 0.000 . . . . . A 69 GLU HG2 . 25033 1 620 . 1 1 69 69 GLU HG3 H 1 2.126 0.000 . . . . . A 69 GLU HG3 . 25033 1 621 . 1 1 69 69 GLU C C 13 174.573 0.000 . . . . . A 69 GLU C . 25033 1 622 . 1 1 69 69 GLU CA C 13 54.953 0.000 . . . . . A 69 GLU CA . 25033 1 623 . 1 1 69 69 GLU CB C 13 34.290 0.000 . . . . . A 69 GLU CB . 25033 1 624 . 1 1 69 69 GLU CG C 13 36.780 0.000 . . . . . A 69 GLU CG . 25033 1 625 . 1 1 69 69 GLU N N 15 128.110 0.070 . . . . . A 69 GLU N . 25033 1 626 . 1 1 70 70 ALA H H 1 8.671 0.008 . . . . . A 70 ALA H . 25033 1 627 . 1 1 70 70 ALA HA H 1 5.004 0.000 . . . . . A 70 ALA HA . 25033 1 628 . 1 1 70 70 ALA HB1 H 1 0.688 0.000 . . . . . A 70 ALA HB1 . 25033 1 629 . 1 1 70 70 ALA HB2 H 1 0.688 0.000 . . . . . A 70 ALA HB2 . 25033 1 630 . 1 1 70 70 ALA HB3 H 1 0.688 0.000 . . . . . A 70 ALA HB3 . 25033 1 631 . 1 1 70 70 ALA C C 13 178.073 0.000 . . . . . A 70 ALA C . 25033 1 632 . 1 1 70 70 ALA CA C 13 50.959 0.000 . . . . . A 70 ALA CA . 25033 1 633 . 1 1 70 70 ALA CB C 13 19.489 0.000 . . . . . A 70 ALA CB . 25033 1 634 . 1 1 70 70 ALA N N 15 127.944 0.055 . . . . . A 70 ALA N . 25033 1 635 . 1 1 71 71 GLY H H 1 8.445 0.022 . . . . . A 71 GLY H . 25033 1 636 . 1 1 71 71 GLY HA2 H 1 3.919 0.000 . . . . . A 71 GLY HA2 . 25033 1 637 . 1 1 71 71 GLY HA3 H 1 4.231 0.000 . . . . . A 71 GLY HA3 . 25033 1 638 . 1 1 71 71 GLY CA C 13 44.016 0.000 . . . . . A 71 GLY CA . 25033 1 639 . 1 1 71 71 GLY N N 15 110.340 0.035 . . . . . A 71 GLY N . 25033 1 640 . 1 1 72 72 PRO HA H 1 4.417 0.002 . . . . . A 72 PRO HA . 25033 1 641 . 1 1 72 72 PRO HB2 H 1 1.970 0.000 . . . . . A 72 PRO HB2 . 25033 1 642 . 1 1 72 72 PRO HB3 H 1 2.293 0.000 . . . . . A 72 PRO HB3 . 25033 1 643 . 1 1 72 72 PRO HG2 H 1 1.971 0.000 . . . . . A 72 PRO HG2 . 25033 1 644 . 1 1 72 72 PRO HG3 H 1 1.971 0.000 . . . . . A 72 PRO HG3 . 25033 1 645 . 1 1 72 72 PRO HD2 H 1 3.667 0.004 . . . . . A 72 PRO HD2 . 25033 1 646 . 1 1 72 72 PRO HD3 H 1 3.667 0.004 . . . . . A 72 PRO HD3 . 25033 1 647 . 1 1 72 72 PRO C C 13 176.835 0.000 . . . . . A 72 PRO C . 25033 1 648 . 1 1 72 72 PRO CA C 13 64.160 0.000 . . . . . A 72 PRO CA . 25033 1 649 . 1 1 72 72 PRO CB C 13 31.880 0.000 . . . . . A 72 PRO CB . 25033 1 650 . 1 1 72 72 PRO CG C 13 26.742 0.000 . . . . . A 72 PRO CG . 25033 1 651 . 1 1 72 72 PRO CD C 13 50.110 0.000 . . . . . A 72 PRO CD . 25033 1 652 . 1 1 73 73 ASP H H 1 8.248 0.027 . . . . . A 73 ASP H . 25033 1 653 . 1 1 73 73 ASP HA H 1 4.515 0.001 . . . . . A 73 ASP HA . 25033 1 654 . 1 1 73 73 ASP HB2 H 1 2.682 0.000 . . . . . A 73 ASP HB2 . 25033 1 655 . 1 1 73 73 ASP HB3 H 1 2.866 0.000 . . . . . A 73 ASP HB3 . 25033 1 656 . 1 1 73 73 ASP C C 13 176.775 0.000 . . . . . A 73 ASP C . 25033 1 657 . 1 1 73 73 ASP CA C 13 53.547 0.000 . . . . . A 73 ASP CA . 25033 1 658 . 1 1 73 73 ASP CB C 13 40.234 0.000 . . . . . A 73 ASP CB . 25033 1 659 . 1 1 73 73 ASP N N 15 116.498 0.039 . . . . . A 73 ASP N . 25033 1 660 . 1 1 74 74 GLY H H 1 8.153 0.004 . . . . . A 74 GLY H . 25033 1 661 . 1 1 74 74 GLY HA2 H 1 3.701 0.001 . . . . . A 74 GLY HA2 . 25033 1 662 . 1 1 74 74 GLY HA3 H 1 4.209 0.001 . . . . . A 74 GLY HA3 . 25033 1 663 . 1 1 74 74 GLY C C 13 174.331 0.000 . . . . . A 74 GLY C . 25033 1 664 . 1 1 74 74 GLY CA C 13 45.578 0.000 . . . . . A 74 GLY CA . 25033 1 665 . 1 1 74 74 GLY N N 15 107.369 0.123 . . . . . A 74 GLY N . 25033 1 666 . 1 1 75 75 ARG H H 1 7.670 0.013 . . . . . A 75 ARG H . 25033 1 667 . 1 1 75 75 ARG HA H 1 4.542 0.000 . . . . . A 75 ARG HA . 25033 1 668 . 1 1 75 75 ARG HB2 H 1 1.876 0.007 . . . . . A 75 ARG HB2 . 25033 1 669 . 1 1 75 75 ARG HB3 H 1 1.813 0.000 . . . . . A 75 ARG HB3 . 25033 1 670 . 1 1 75 75 ARG HG2 H 1 1.655 0.001 . . . . . A 75 ARG HG2 . 25033 1 671 . 1 1 75 75 ARG HG3 H 1 1.614 0.000 . . . . . A 75 ARG HG3 . 25033 1 672 . 1 1 75 75 ARG HD2 H 1 3.125 0.000 . . . . . A 75 ARG HD2 . 25033 1 673 . 1 1 75 75 ARG HD3 H 1 3.192 0.004 . . . . . A 75 ARG HD3 . 25033 1 674 . 1 1 75 75 ARG C C 13 176.652 0.000 . . . . . A 75 ARG C . 25033 1 675 . 1 1 75 75 ARG CA C 13 55.658 0.000 . . . . . A 75 ARG CA . 25033 1 676 . 1 1 75 75 ARG CB C 13 30.909 0.000 . . . . . A 75 ARG CB . 25033 1 677 . 1 1 75 75 ARG CG C 13 27.072 0.000 . . . . . A 75 ARG CG . 25033 1 678 . 1 1 75 75 ARG CD C 13 43.150 0.000 . . . . . A 75 ARG CD . 25033 1 679 . 1 1 75 75 ARG N N 15 120.942 0.052 . . . . . A 75 ARG N . 25033 1 680 . 1 1 76 76 SER H H 1 8.808 0.025 . . . . . A 76 SER H . 25033 1 681 . 1 1 76 76 SER HA H 1 5.035 0.001 . . . . . A 76 SER HA . 25033 1 682 . 1 1 76 76 SER HB2 H 1 3.695 0.000 . . . . . A 76 SER HB2 . 25033 1 683 . 1 1 76 76 SER HB3 H 1 3.751 0.000 . . . . . A 76 SER HB3 . 25033 1 684 . 1 1 76 76 SER C C 13 172.816 0.000 . . . . . A 76 SER C . 25033 1 685 . 1 1 76 76 SER CA C 13 59.080 0.000 . . . . . A 76 SER CA . 25033 1 686 . 1 1 76 76 SER CB C 13 64.850 0.000 . . . . . A 76 SER CB . 25033 1 687 . 1 1 76 76 SER N N 15 120.181 0.094 . . . . . A 76 SER N . 25033 1 688 . 1 1 77 77 LYS H H 1 8.982 0.013 . . . . . A 77 LYS H . 25033 1 689 . 1 1 77 77 LYS HA H 1 5.174 0.000 . . . . . A 77 LYS HA . 25033 1 690 . 1 1 77 77 LYS HB2 H 1 1.984 0.000 . . . . . A 77 LYS HB2 . 25033 1 691 . 1 1 77 77 LYS HB3 H 1 1.876 0.002 . . . . . A 77 LYS HB3 . 25033 1 692 . 1 1 77 77 LYS HG2 H 1 1.448 0.000 . . . . . A 77 LYS HG2 . 25033 1 693 . 1 1 77 77 LYS HG3 H 1 1.284 0.001 . . . . . A 77 LYS HG3 . 25033 1 694 . 1 1 77 77 LYS HD2 H 1 1.750 0.001 . . . . . A 77 LYS HD2 . 25033 1 695 . 1 1 77 77 LYS HD3 H 1 1.668 0.000 . . . . . A 77 LYS HD3 . 25033 1 696 . 1 1 77 77 LYS HE2 H 1 2.831 0.001 . . . . . A 77 LYS HE2 . 25033 1 697 . 1 1 77 77 LYS HE3 H 1 2.831 0.001 . . . . . A 77 LYS HE3 . 25033 1 698 . 1 1 77 77 LYS C C 13 173.706 0.000 . . . . . A 77 LYS C . 25033 1 699 . 1 1 77 77 LYS CA C 13 54.599 0.000 . . . . . A 77 LYS CA . 25033 1 700 . 1 1 77 77 LYS CB C 13 36.035 0.000 . . . . . A 77 LYS CB . 25033 1 701 . 1 1 77 77 LYS CG C 13 24.227 0.000 . . . . . A 77 LYS CG . 25033 1 702 . 1 1 77 77 LYS CD C 13 29.828 0.000 . . . . . A 77 LYS CD . 25033 1 703 . 1 1 77 77 LYS CE C 13 41.975 0.000 . . . . . A 77 LYS CE . 25033 1 704 . 1 1 77 77 LYS N N 15 121.202 0.090 . . . . . A 77 LYS N . 25033 1 705 . 1 1 78 78 ALA H H 1 8.706 0.015 . . . . . A 78 ALA H . 25033 1 706 . 1 1 78 78 ALA HA H 1 5.004 0.001 . . . . . A 78 ALA HA . 25033 1 707 . 1 1 78 78 ALA HB1 H 1 0.688 0.001 . . . . . A 78 ALA HB1 . 25033 1 708 . 1 1 78 78 ALA HB2 H 1 0.688 0.001 . . . . . A 78 ALA HB2 . 25033 1 709 . 1 1 78 78 ALA HB3 H 1 0.688 0.001 . . . . . A 78 ALA HB3 . 25033 1 710 . 1 1 78 78 ALA C C 13 175.979 0.000 . . . . . A 78 ALA C . 25033 1 711 . 1 1 78 78 ALA CA C 13 50.445 0.000 . . . . . A 78 ALA CA . 25033 1 712 . 1 1 78 78 ALA CB C 13 20.136 0.000 . . . . . A 78 ALA CB . 25033 1 713 . 1 1 78 78 ALA N N 15 124.064 0.137 . . . . . A 78 ALA N . 25033 1 714 . 1 1 79 79 VAL H H 1 9.165 0.005 . . . . . A 79 VAL H . 25033 1 715 . 1 1 79 79 VAL HA H 1 4.843 0.002 . . . . . A 79 VAL HA . 25033 1 716 . 1 1 79 79 VAL HB H 1 2.229 0.002 . . . . . A 79 VAL HB . 25033 1 717 . 1 1 79 79 VAL HG11 H 1 0.756 0.000 . . . . . A 79 VAL HG11 . 25033 1 718 . 1 1 79 79 VAL HG12 H 1 0.756 0.000 . . . . . A 79 VAL HG12 . 25033 1 719 . 1 1 79 79 VAL HG13 H 1 0.756 0.000 . . . . . A 79 VAL HG13 . 25033 1 720 . 1 1 79 79 VAL HG21 H 1 0.827 0.000 . . . . . A 79 VAL HG21 . 25033 1 721 . 1 1 79 79 VAL HG22 H 1 0.827 0.000 . . . . . A 79 VAL HG22 . 25033 1 722 . 1 1 79 79 VAL HG23 H 1 0.827 0.000 . . . . . A 79 VAL HG23 . 25033 1 723 . 1 1 79 79 VAL C C 13 174.744 0.000 . . . . . A 79 VAL C . 25033 1 724 . 1 1 79 79 VAL CA C 13 59.073 0.000 . . . . . A 79 VAL CA . 25033 1 725 . 1 1 79 79 VAL CB C 13 35.596 0.000 . . . . . A 79 VAL CB . 25033 1 726 . 1 1 79 79 VAL CG1 C 13 19.208 0.001 . . . . . A 79 VAL CG1 . 25033 1 727 . 1 1 79 79 VAL CG2 C 13 21.759 0.000 . . . . . A 79 VAL CG2 . 25033 1 728 . 1 1 79 79 VAL N N 15 113.264 0.105 . . . . . A 79 VAL N . 25033 1 729 . 1 1 80 80 ASN H H 1 8.923 0.008 . . . . . A 80 ASN H . 25033 1 730 . 1 1 80 80 ASN HA H 1 4.356 0.002 . . . . . A 80 ASN HA . 25033 1 731 . 1 1 80 80 ASN HB2 H 1 2.659 0.003 . . . . . A 80 ASN HB2 . 25033 1 732 . 1 1 80 80 ASN HB3 H 1 3.055 0.001 . . . . . A 80 ASN HB3 . 25033 1 733 . 1 1 80 80 ASN HD21 H 1 7.859 0.005 . . . . . A 80 ASN HD21 . 25033 1 734 . 1 1 80 80 ASN HD22 H 1 6.806 0.004 . . . . . A 80 ASN HD22 . 25033 1 735 . 1 1 80 80 ASN C C 13 175.391 0.000 . . . . . A 80 ASN C . 25033 1 736 . 1 1 80 80 ASN CA C 13 53.734 0.000 . . . . . A 80 ASN CA . 25033 1 737 . 1 1 80 80 ASN CB C 13 37.121 0.000 . . . . . A 80 ASN CB . 25033 1 738 . 1 1 80 80 ASN N N 15 120.084 0.049 . . . . . A 80 ASN N . 25033 1 739 . 1 1 80 80 ASN ND2 N 15 113.279 0.021 . . . . . A 80 ASN ND2 . 25033 1 740 . 1 1 81 81 VAL H H 1 8.282 0.006 . . . . . A 81 VAL H . 25033 1 741 . 1 1 81 81 VAL HA H 1 4.747 0.001 . . . . . A 81 VAL HA . 25033 1 742 . 1 1 81 81 VAL HB H 1 1.917 0.001 . . . . . A 81 VAL HB . 25033 1 743 . 1 1 81 81 VAL HG11 H 1 0.687 0.001 . . . . . A 81 VAL HG11 . 25033 1 744 . 1 1 81 81 VAL HG12 H 1 0.687 0.001 . . . . . A 81 VAL HG12 . 25033 1 745 . 1 1 81 81 VAL HG13 H 1 0.687 0.001 . . . . . A 81 VAL HG13 . 25033 1 746 . 1 1 81 81 VAL HG21 H 1 0.792 0.000 . . . . . A 81 VAL HG21 . 25033 1 747 . 1 1 81 81 VAL HG22 H 1 0.792 0.000 . . . . . A 81 VAL HG22 . 25033 1 748 . 1 1 81 81 VAL HG23 H 1 0.792 0.000 . . . . . A 81 VAL HG23 . 25033 1 749 . 1 1 81 81 VAL C C 13 176.340 0.000 . . . . . A 81 VAL C . 25033 1 750 . 1 1 81 81 VAL CA C 13 63.160 0.000 . . . . . A 81 VAL CA . 25033 1 751 . 1 1 81 81 VAL CB C 13 32.130 0.000 . . . . . A 81 VAL CB . 25033 1 752 . 1 1 81 81 VAL CG1 C 13 21.730 0.000 . . . . . A 81 VAL CG1 . 25033 1 753 . 1 1 81 81 VAL CG2 C 13 21.730 0.000 . . . . . A 81 VAL CG2 . 25033 1 754 . 1 1 81 81 VAL N N 15 119.178 0.020 . . . . . A 81 VAL N . 25033 1 755 . 1 1 82 82 THR H H 1 9.198 0.006 . . . . . A 82 THR H . 25033 1 756 . 1 1 82 82 THR HA H 1 4.336 0.000 . . . . . A 82 THR HA . 25033 1 757 . 1 1 82 82 THR HB H 1 4.187 0.000 . . . . . A 82 THR HB . 25033 1 758 . 1 1 82 82 THR HG21 H 1 1.163 0.001 . . . . . A 82 THR HG21 . 25033 1 759 . 1 1 82 82 THR HG22 H 1 1.163 0.001 . . . . . A 82 THR HG22 . 25033 1 760 . 1 1 82 82 THR HG23 H 1 1.163 0.001 . . . . . A 82 THR HG23 . 25033 1 761 . 1 1 82 82 THR CA C 13 63.515 0.000 . . . . . A 82 THR CA . 25033 1 762 . 1 1 82 82 THR CB C 13 71.769 0.000 . . . . . A 82 THR CB . 25033 1 763 . 1 1 82 82 THR CG2 C 13 21.810 0.000 . . . . . A 82 THR CG2 . 25033 1 764 . 1 1 82 82 THR N N 15 125.434 0.041 . . . . . A 82 THR N . 25033 1 stop_ save_