data_19049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19049 _Entry.Title ; Solution structure of chicken Engrailed 2 homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-21 _Entry.Accession_date 2013-02-21 _Entry.Last_release_date 2013-08-14 _Entry.Original_release_date 2013-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ludovic Carlier . . . 19049 2 Stephane Balayssac . . . 19049 3 Francois-Xavier Cantrelle . . . 19049 4 Lucie Khemtemourian . . . 19049 5 Gerard Chassaing . . . 19049 6 Alain Joliot . . . 19049 7 Olivier Lequin . . . 19049 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' . 19049 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratoire des Biomolecules, NMR group' . 19049 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell-penetrating peptide' . 19049 'DNA-binding protein' . 19049 homeobox . 19049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 19049 '15N chemical shifts' 85 19049 '1H chemical shifts' 410 19049 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 . . 2013-08-14 2013-02-21 original author . 19049 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3ZOB 'BMRB Entry Tracking System' 19049 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23931315 _Citation.Full_citation . _Citation.Title 'Investigation of homeodomain membrane translocation properties: insights from the structure determination of engrailed-2 homeodomain in aqueous and membrane-mimetic environments' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 667 _Citation.Page_last 678 _Citation.Year 2013 _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 Ludovic Carlier . . . 19049 1 2 Stephane Balayssac . . . 19049 1 3 Francois-Xavier Cantrelle . . . 19049 1 4 Ludovic Khemtemourian . . . 19049 1 5 Gerard Chassaing . . . 19049 1 6 Alain Joliot . . . 19049 1 7 Olivier Lequin . . . 19049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19049 _Assembly.ID 1 _Assembly.Name 'Solution structure of chicken Engrailed 2 homeodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7857.0148 _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 'HOMEOBOX PROTEIN ENGRAILED-2' 1 $HOMEOBOX_PROTEIN_ENGRAILED-2 A . yes native no no . . . 19049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HOMEOBOX_PROTEIN_ENGRAILED-2 _Entity.Sf_category entity _Entity.Sf_framecode HOMEOBOX_PROTEIN_ENGRAILED-2 _Entity.Entry_ID 19049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HOMEOBOX_PROTEIN_ENGRAILED-2 _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 ; GPMASDKRPRTAFTAEQLQR LKAEFQTNRYLTEQRRQSLA QELGLNESQIKIWFQNKRAK IKKATQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment homeodomain _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7857.0148 _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 yes UNP HME2_CHICK . Q05917 . . . . . . . . . . . . . . 19049 1 2 no BMRB 17325 . Engrailed_2 . . . . . 89.55 117 100.00 100.00 2.28e-32 . . . . 19049 1 3 no PDB 3ZOB . "Solution Structure Of Chicken Engrailed 2 Homeodomain" . . . . . 100.00 67 100.00 100.00 7.28e-39 . . . . 19049 1 4 no DBJ BAE34186 . "unnamed protein product [Mus musculus]" . . . . . 89.55 324 98.33 98.33 2.39e-30 . . . . 19049 1 5 no EMBL CAA44724 . "En-2 [Xenopus laevis]" . . . . . 89.55 265 98.33 100.00 1.56e-31 . . . . 19049 1 6 no EMBL CAA48254 . "engrailed-2 protein [Danio rerio]" . . . . . 89.55 265 98.33 100.00 2.10e-31 . . . . 19049 1 7 no EMBL CAA48491 . "engrailed [Danio rerio]" . . . . . 89.55 265 98.33 100.00 2.04e-31 . . . . 19049 1 8 no EMBL CAA68362 . "homoebox protein En-2 [Mus musculus]" . . . . . 89.55 124 98.33 98.33 1.42e-31 . . . . 19049 1 9 no GB AAA53438 . "engrailed protein, partial [Gallus gallus]" . . . . . 89.55 104 100.00 100.00 3.66e-33 . . . . 19049 1 10 no GB AAA53504 . "engrailed protein [Homo sapiens]" . . . . . 89.55 333 98.33 98.33 2.80e-30 . . . . 19049 1 11 no GB AAA53527 . "engrailed protein [Mus musculus]" . . . . . 89.55 324 98.33 98.33 2.39e-30 . . . . 19049 1 12 no GB AAF31303 . "engrailed 2 [Equus caballus]" . . . . . 68.66 46 97.83 97.83 1.25e-21 . . . . 19049 1 13 no GB AAF68670 . "homeobox protein En-2 [Homo sapiens]" . . . . . 89.55 104 98.33 98.33 4.41e-32 . . . . 19049 1 14 no PRF 1703276B . "homeobox protein En-2" . . . . . 76.12 60 98.04 98.04 9.11e-25 . . . . 19049 1 15 no PRF 1703276F . "homeobox protein En-2" . . . . . 76.12 60 98.04 100.00 3.44e-25 . . . . 19049 1 16 no REF NP_001095261 . "homeobox protein engrailed-2-B [Xenopus laevis]" . . . . . 89.55 265 98.33 100.00 1.56e-31 . . . . 19049 1 17 no REF NP_001102684 . "homeobox protein engrailed-2 [Rattus norvegicus]" . . . . . 89.55 323 98.33 98.33 1.78e-30 . . . . 19049 1 18 no REF NP_001254648 . "homeobox protein engrailed-2 [Gallus gallus]" . . . . . 89.55 289 100.00 100.00 1.66e-31 . . . . 19049 1 19 no REF NP_001418 . "homeobox protein engrailed-2 [Homo sapiens]" . . . . . 89.55 333 98.33 98.33 2.80e-30 . . . . 19049 1 20 no REF NP_034264 . "homeobox protein engrailed-2 [Mus musculus]" . . . . . 89.55 324 98.33 98.33 2.39e-30 . . . . 19049 1 21 no SP P09015 . "RecName: Full=Homeobox protein engrailed-2a; Short=Homeobox protein en-2a; AltName: Full=Zf-En-2" . . . . . 89.55 265 98.33 100.00 2.10e-31 . . . . 19049 1 22 no SP P09066 . "RecName: Full=Homeobox protein engrailed-2; Short=Homeobox protein en-2; Short=Mo-En-2" . . . . . 89.55 324 98.33 98.33 2.39e-30 . . . . 19049 1 23 no SP P19622 . "RecName: Full=Homeobox protein engrailed-2; Short=Homeobox protein en-2; Short=Hu-En-2" . . . . . 89.55 333 98.33 98.33 2.80e-30 . . . . 19049 1 24 no SP P52730 . "RecName: Full=Homeobox protein engrailed-2-B; Short=En-2B; Short=Homeobox protein en-2-B; AltName: Full=En2 MABEN" . . . . . 89.55 265 98.33 100.00 1.56e-31 . . . . 19049 1 25 no SP Q05917 . "RecName: Full=Homeobox protein engrailed-2; Short=Gg-En-2; Short=Homeobox protein en-2" . . . . . 89.55 289 100.00 100.00 1.66e-31 . . . . 19049 1 26 no TPG DAA30339 . "TPA: engrailed homeobox 2-like [Bos taurus]" . . . . . 89.55 375 98.33 98.33 4.10e-30 . . . . 19049 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 . GLY . 19049 1 2 . PRO . 19049 1 3 . MET . 19049 1 4 . ALA . 19049 1 5 . SER . 19049 1 6 . ASP . 19049 1 7 . LYS . 19049 1 8 . ARG . 19049 1 9 . PRO . 19049 1 10 . ARG . 19049 1 11 . THR . 19049 1 12 . ALA . 19049 1 13 . PHE . 19049 1 14 . THR . 19049 1 15 . ALA . 19049 1 16 . GLU . 19049 1 17 . GLN . 19049 1 18 . LEU . 19049 1 19 . GLN . 19049 1 20 . ARG . 19049 1 21 . LEU . 19049 1 22 . LYS . 19049 1 23 . ALA . 19049 1 24 . GLU . 19049 1 25 . PHE . 19049 1 26 . GLN . 19049 1 27 . THR . 19049 1 28 . ASN . 19049 1 29 . ARG . 19049 1 30 . TYR . 19049 1 31 . LEU . 19049 1 32 . THR . 19049 1 33 . GLU . 19049 1 34 . GLN . 19049 1 35 . ARG . 19049 1 36 . ARG . 19049 1 37 . GLN . 19049 1 38 . SER . 19049 1 39 . LEU . 19049 1 40 . ALA . 19049 1 41 . GLN . 19049 1 42 . GLU . 19049 1 43 . LEU . 19049 1 44 . GLY . 19049 1 45 . LEU . 19049 1 46 . ASN . 19049 1 47 . GLU . 19049 1 48 . SER . 19049 1 49 . GLN . 19049 1 50 . ILE . 19049 1 51 . LYS . 19049 1 52 . ILE . 19049 1 53 . TRP . 19049 1 54 . PHE . 19049 1 55 . GLN . 19049 1 56 . ASN . 19049 1 57 . LYS . 19049 1 58 . ARG . 19049 1 59 . ALA . 19049 1 60 . LYS . 19049 1 61 . ILE . 19049 1 62 . LYS . 19049 1 63 . LYS . 19049 1 64 . ALA . 19049 1 65 . THR . 19049 1 66 . GLN . 19049 1 67 . ALA . 19049 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 . GLY 1 1 19049 1 . PRO 2 2 19049 1 . MET 3 3 19049 1 . ALA 4 4 19049 1 . SER 5 5 19049 1 . ASP 6 6 19049 1 . LYS 7 7 19049 1 . ARG 8 8 19049 1 . PRO 9 9 19049 1 . ARG 10 10 19049 1 . THR 11 11 19049 1 . ALA 12 12 19049 1 . PHE 13 13 19049 1 . THR 14 14 19049 1 . ALA 15 15 19049 1 . GLU 16 16 19049 1 . GLN 17 17 19049 1 . LEU 18 18 19049 1 . GLN 19 19 19049 1 . ARG 20 20 19049 1 . LEU 21 21 19049 1 . LYS 22 22 19049 1 . ALA 23 23 19049 1 . GLU 24 24 19049 1 . PHE 25 25 19049 1 . GLN 26 26 19049 1 . THR 27 27 19049 1 . ASN 28 28 19049 1 . ARG 29 29 19049 1 . TYR 30 30 19049 1 . LEU 31 31 19049 1 . THR 32 32 19049 1 . GLU 33 33 19049 1 . GLN 34 34 19049 1 . ARG 35 35 19049 1 . ARG 36 36 19049 1 . GLN 37 37 19049 1 . SER 38 38 19049 1 . LEU 39 39 19049 1 . ALA 40 40 19049 1 . GLN 41 41 19049 1 . GLU 42 42 19049 1 . LEU 43 43 19049 1 . GLY 44 44 19049 1 . LEU 45 45 19049 1 . ASN 46 46 19049 1 . GLU 47 47 19049 1 . SER 48 48 19049 1 . GLN 49 49 19049 1 . ILE 50 50 19049 1 . LYS 51 51 19049 1 . ILE 52 52 19049 1 . TRP 53 53 19049 1 . PHE 54 54 19049 1 . GLN 55 55 19049 1 . ASN 56 56 19049 1 . LYS 57 57 19049 1 . ARG 58 58 19049 1 . ALA 59 59 19049 1 . LYS 60 60 19049 1 . ILE 61 61 19049 1 . LYS 62 62 19049 1 . LYS 63 63 19049 1 . ALA 64 64 19049 1 . THR 65 65 19049 1 . GLN 66 66 19049 1 . ALA 67 67 19049 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 19049 _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 $HOMEOBOX_PROTEIN_ENGRAILED-2 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 19049 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 19049 _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 $HOMEOBOX_PROTEIN_ENGRAILED-2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . n/a . . pGEX . . . 'extra residues GPMAS at the N-terminus and QA at the C-terminus' . . 19049 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19049 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabeled Engrailed 2 homeodomain 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOMEOBOX PROTEIN ENGRAILED-2' 'natural abundance' . . 1 $HOMEOBOX_PROTEIN_ENGRAILED-2 . . 1 . . mM . . . . 19049 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19049 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19049 1 4 'sodium succinate' 'natural abundance' . . . . . . 50 . . mM . . . . 19049 1 5 TMSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 19049 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19049 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19049 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled Engrailed 2 homeodomain 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOMEOBOX PROTEIN ENGRAILED-2' [U-15N] . . 1 $HOMEOBOX_PROTEIN_ENGRAILED-2 . . 1 . . mM . . . . 19049 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19049 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19049 2 4 'sodium succinate' 'natural abundance' . . . . . . 50 . . mM . . . . 19049 2 5 TMSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 19049 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19049 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19049 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly labeled 15N 13C Engrailed 2 homeodomain 1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HOMEOBOX PROTEIN ENGRAILED-2' '[U-13C; U-15N]' . . 1 $HOMEOBOX_PROTEIN_ENGRAILED-2 . . 1 . . mM . . . . 19049 3 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19049 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19049 3 4 'sodium succinate' 'natural abundance' . . . . . . 50 . . mM . . . . 19049 3 5 TMSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 19049 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19049 3 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 19049 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [4.7], temp [303], pressure [1], ionStrength [50.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50.000 . mM 19049 1 pH 4.700 . pH 19049 1 pressure 1.000 . atm 19049 1 temperature 303.000 . K 19049 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19049 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 19049 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19049 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 19049 _Software.ID 2 _Software.Name DYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 19049 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19049 2 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 19049 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version any _Software.Details 'ENERGY MINIMIZATION WITH CHARMM22' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19049 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19049 3 stop_ save_ save_torsion_angle_dynamics _Method.Sf_category method _Method.Sf_framecode torsion_angle_dynamics _Method.Entry_ID 19049 _Method.ID 1 _Method.Derivation_type . _Method.Details 'torsion angle dynamics' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-500 _NMR_spectrometer.Entry_ID 19049 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19049 _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 Bruker_Avance-500 Bruker Avance . 500 . . . 19049 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 19049 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 4 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 7 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 8 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 9 '3D 15N TOCSY-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 10 '3D HCCH TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 11 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 12 '2D NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 13 '3D 15N NOESY-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 14 '3D 13C NOESY-HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 15 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 16 '3D HNHB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-500 . . . . . . . . . . . . . . . . 19049 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19049 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance-500 _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 1 _NMR_spec_expt.Method_label $torsion_angle_dynamics _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19049 _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 TSP 'methy protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 19049 1 H 1 TSP 'methy protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 19049 1 N 15 TSP 'methy protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19049 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19049 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zob/ebi/En2HD_1.bmrb.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 solution 19049 1 2 '3D HNCACB' 1 $sample_3 solution 19049 1 3 '3D CBCA(CO)NH' 1 $sample_3 solution 19049 1 4 '3D HBHA(CO)NH' 1 $sample_3 solution 19049 1 5 '3D HNCA' 1 $sample_3 solution 19049 1 6 '3D HN(CO)CA' 1 $sample_3 solution 19049 1 7 '3D HNCO' 1 $sample_3 solution 19049 1 8 '3D HN(CA)CO' 1 $sample_3 solution 19049 1 9 '3D 15N TOCSY-HSQC' 1 $sample_2 solution 19049 1 10 '3D HCCH TOCSY' 1 $sample_3 solution 19049 1 11 '2D (HB)CB(CGCD)HD' 1 $sample_3 solution 19049 1 12 '2D NOESY' 1 $sample_1 solution 19049 1 13 '3D 15N NOESY-HSQC' 1 $sample_2 solution 19049 1 14 '3D 13C NOESY-HMQC' 1 $sample_3 solution 19049 1 15 '3D HNHA' 1 $sample_2 solution 19049 1 16 '3D HNHB' 1 $sample_2 solution 19049 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.45 0.02 . 1 . 3 . . 2 PRO HA . 19049 1 2 . 1 1 2 2 PRO HG2 H 1 1.99 0.02 . 1 . 5 . . 2 PRO HG2 . 19049 1 3 . 1 1 2 2 PRO HG3 H 1 1.99 0.02 . 1 . 6 . . 2 PRO HG3 . 19049 1 4 . 1 1 2 2 PRO HD2 H 1 3.56 0.02 . 2 . 7 . . 2 PRO HD2 . 19049 1 5 . 1 1 2 2 PRO HD3 H 1 3.53 0.02 . 2 . 8 . . 2 PRO HD3 . 19049 1 6 . 1 1 2 2 PRO C C 13 177.05 0.10 . 1 . 9 . . 2 PRO C . 19049 1 7 . 1 1 2 2 PRO CA C 13 63.09 0.10 . 1 . 2 . . 2 PRO CA . 19049 1 8 . 1 1 2 2 PRO CG C 13 27.33 0.10 . 1 . 4 . . 2 PRO CG . 19049 1 9 . 1 1 2 2 PRO CD C 13 49.68 0.10 . 1 . 1 . . 2 PRO CD . 19049 1 10 . 1 1 3 3 MET H H 1 8.57 0.02 . 1 . 11 . . 3 MET H . 19049 1 11 . 1 1 3 3 MET HA H 1 4.44 0.02 . 1 . 13 . . 3 MET HA . 19049 1 12 . 1 1 3 3 MET HB2 H 1 1.99 0.02 . 1 . 15 . . 3 MET HB2 . 19049 1 13 . 1 1 3 3 MET HB3 H 1 1.99 0.02 . 1 . 16 . . 3 MET HB3 . 19049 1 14 . 1 1 3 3 MET HG2 H 1 2.58 0.02 . 1 . 18 . . 3 MET HG2 . 19049 1 15 . 1 1 3 3 MET HG3 H 1 2.58 0.02 . 1 . 19 . . 3 MET HG3 . 19049 1 16 . 1 1 3 3 MET C C 13 176.27 0.10 . 1 . 22 . . 3 MET C . 19049 1 17 . 1 1 3 3 MET CA C 13 55.47 0.10 . 1 . 12 . . 3 MET CA . 19049 1 18 . 1 1 3 3 MET CB C 13 32.29 0.10 . 1 . 14 . . 3 MET CB . 19049 1 19 . 1 1 3 3 MET CG C 13 32.07 0.10 . 1 . 17 . . 3 MET CG . 19049 1 20 . 1 1 3 3 MET CE C 13 16.94 0.10 . 1 . 21 . . 3 MET CE . 19049 1 21 . 1 1 3 3 MET N N 15 121.09 0.10 . 1 . 10 . . 3 MET N . 19049 1 22 . 1 1 4 4 ALA H H 1 8.43 0.02 . 1 . 24 . . 4 ALA H . 19049 1 23 . 1 1 4 4 ALA HA H 1 4.29 0.02 . 1 . 26 . . 4 ALA HA . 19049 1 24 . 1 1 4 4 ALA C C 13 178.02 0.10 . 1 . 29 . . 4 ALA C . 19049 1 25 . 1 1 4 4 ALA CA C 13 52.76 0.10 . 1 . 25 . . 4 ALA CA . 19049 1 26 . 1 1 4 4 ALA CB C 13 19.21 0.10 . 1 . 28 . . 4 ALA CB . 19049 1 27 . 1 1 4 4 ALA N N 15 125.95 0.10 . 1 . 23 . . 4 ALA N . 19049 1 28 . 1 1 5 5 SER H H 1 8.30 0.02 . 1 . 31 . . 5 SER H . 19049 1 29 . 1 1 5 5 SER HA H 1 4.37 0.02 . 1 . 33 . . 5 SER HA . 19049 1 30 . 1 1 5 5 SER HB2 H 1 3.89 0.02 . 2 . 35 . . 5 SER HB2 . 19049 1 31 . 1 1 5 5 SER HB3 H 1 3.81 0.02 . 2 . 36 . . 5 SER HB3 . 19049 1 32 . 1 1 5 5 SER C C 13 174.58 0.10 . 1 . 37 . . 5 SER C . 19049 1 33 . 1 1 5 5 SER CA C 13 58.45 0.10 . 1 . 32 . . 5 SER CA . 19049 1 34 . 1 1 5 5 SER CB C 13 63.84 0.10 . 1 . 34 . . 5 SER CB . 19049 1 35 . 1 1 5 5 SER N N 15 114.76 0.10 . 1 . 30 . . 5 SER N . 19049 1 36 . 1 1 6 6 ASP H H 1 8.32 0.02 . 1 . 39 . . 6 ASP H . 19049 1 37 . 1 1 6 6 ASP HA H 1 4.57 0.02 . 1 . 41 . . 6 ASP HA . 19049 1 38 . 1 1 6 6 ASP HB2 H 1 2.67 0.02 . 1 . 43 . . 6 ASP HB2 . 19049 1 39 . 1 1 6 6 ASP HB3 H 1 2.67 0.02 . 1 . 44 . . 6 ASP HB3 . 19049 1 40 . 1 1 6 6 ASP C C 13 176.30 0.10 . 1 . 46 . . 6 ASP C . 19049 1 41 . 1 1 6 6 ASP CA C 13 54.32 0.10 . 1 . 40 . . 6 ASP CA . 19049 1 42 . 1 1 6 6 ASP CB C 13 40.97 0.10 . 1 . 42 . . 6 ASP CB . 19049 1 43 . 1 1 6 6 ASP CG C 13 180.19 0.10 . 1 . 45 . . 6 ASP CG . 19049 1 44 . 1 1 6 6 ASP N N 15 122.20 0.10 . 1 . 38 . . 6 ASP N . 19049 1 45 . 1 1 7 7 LYS H H 1 8.21 0.02 . 1 . 48 . . 7 LYS H . 19049 1 46 . 1 1 7 7 LYS HA H 1 4.29 0.02 . 1 . 50 . . 7 LYS HA . 19049 1 47 . 1 1 7 7 LYS HB2 H 1 1.71 0.02 . 1 . 52 . . 7 LYS HB2 . 19049 1 48 . 1 1 7 7 LYS HB3 H 1 1.71 0.02 . 1 . 53 . . 7 LYS HB3 . 19049 1 49 . 1 1 7 7 LYS HG2 H 1 1.82 0.02 . 2 . 58 . . 7 LYS HD2 . 19049 1 50 . 1 1 7 7 LYS HG3 H 1 1.66 0.02 . 2 . 59 . . 7 LYS HD3 . 19049 1 51 . 1 1 7 7 LYS HD2 H 1 1.66 0.02 . 1 . 55 . . 7 LYS HG2 . 19049 1 52 . 1 1 7 7 LYS HD3 H 1 1.66 0.02 . 1 . 56 . . 7 LYS HG3 . 19049 1 53 . 1 1 7 7 LYS HE2 H 1 2.97 0.02 . 1 . 61 . . 7 LYS HE2 . 19049 1 54 . 1 1 7 7 LYS HE3 H 1 2.97 0.02 . 1 . 62 . . 7 LYS HE3 . 19049 1 55 . 1 1 7 7 LYS C C 13 176.53 0.10 . 1 . 63 . . 7 LYS C . 19049 1 56 . 1 1 7 7 LYS CA C 13 55.97 0.10 . 1 . 49 . . 7 LYS CA . 19049 1 57 . 1 1 7 7 LYS CB C 13 32.70 0.10 . 1 . 51 . . 7 LYS CB . 19049 1 58 . 1 1 7 7 LYS CG C 13 24.74 0.10 . 1 . 57 . . 7 LYS CD . 19049 1 59 . 1 1 7 7 LYS CD C 13 29.10 0.10 . 1 . 54 . . 7 LYS CG . 19049 1 60 . 1 1 7 7 LYS CE C 13 42.16 0.10 . 1 . 60 . . 7 LYS CE . 19049 1 61 . 1 1 7 7 LYS N N 15 121.32 0.10 . 1 . 47 . . 7 LYS N . 19049 1 62 . 1 1 8 8 ARG H H 1 8.16 0.02 . 1 . 65 . . 8 ARG H . 19049 1 63 . 1 1 8 8 ARG HA H 1 4.57 0.02 . 1 . 67 . . 8 ARG HA . 19049 1 64 . 1 1 8 8 ARG HB2 H 1 1.80 0.02 . 2 . 69 . . 8 ARG HB2 . 19049 1 65 . 1 1 8 8 ARG HB3 H 1 1.73 0.02 . 2 . 70 . . 8 ARG HB3 . 19049 1 66 . 1 1 8 8 ARG HG2 H 1 1.64 0.02 . 1 . 72 . . 8 ARG HG2 . 19049 1 67 . 1 1 8 8 ARG HG3 H 1 1.64 0.02 . 1 . 73 . . 8 ARG HG3 . 19049 1 68 . 1 1 8 8 ARG HD2 H 1 3.18 0.02 . 1 . 75 . . 8 ARG HD2 . 19049 1 69 . 1 1 8 8 ARG HD3 H 1 3.18 0.02 . 1 . 76 . . 8 ARG HD3 . 19049 1 70 . 1 1 8 8 ARG HE H 1 7.35 0.02 . 1 . 78 . . 8 ARG HE . 19049 1 71 . 1 1 8 8 ARG C C 13 174.34 0.10 . 1 . 80 . . 8 ARG C . 19049 1 72 . 1 1 8 8 ARG CA C 13 54.14 0.10 . 1 . 66 . . 8 ARG CA . 19049 1 73 . 1 1 8 8 ARG CB C 13 30.09 0.10 . 1 . 68 . . 8 ARG CB . 19049 1 74 . 1 1 8 8 ARG CG C 13 26.84 0.10 . 1 . 71 . . 8 ARG CG . 19049 1 75 . 1 1 8 8 ARG CD C 13 43.41 0.10 . 1 . 74 . . 8 ARG CD . 19049 1 76 . 1 1 8 8 ARG CZ C 13 159.87 0.10 . 1 . 79 . . 8 ARG CZ . 19049 1 77 . 1 1 8 8 ARG N N 15 122.71 0.10 . 1 . 64 . . 8 ARG N . 19049 1 78 . 1 1 8 8 ARG NE N 15 85.04 0.10 . 1 . 77 . . 8 ARG NE . 19049 1 79 . 1 1 9 9 PRO HA H 1 4.40 0.02 . 1 . 83 . . 9 PRO HA . 19049 1 80 . 1 1 9 9 PRO HB2 H 1 2.28 0.02 . 2 . 85 . . 9 PRO HB2 . 19049 1 81 . 1 1 9 9 PRO HB3 H 1 1.87 0.02 . 2 . 86 . . 9 PRO HB3 . 19049 1 82 . 1 1 9 9 PRO HG2 H 1 1.99 0.02 . 1 . 88 . . 9 PRO HG2 . 19049 1 83 . 1 1 9 9 PRO HG3 H 1 1.99 0.02 . 1 . 89 . . 9 PRO HG3 . 19049 1 84 . 1 1 9 9 PRO HD2 H 1 3.77 0.02 . 2 . 90 . . 9 PRO HD2 . 19049 1 85 . 1 1 9 9 PRO HD3 H 1 3.58 0.02 . 2 . 91 . . 9 PRO HD3 . 19049 1 86 . 1 1 9 9 PRO C C 13 177.01 0.10 . 1 . 92 . . 9 PRO C . 19049 1 87 . 1 1 9 9 PRO CA C 13 63.05 0.10 . 1 . 82 . . 9 PRO CA . 19049 1 88 . 1 1 9 9 PRO CB C 13 32.23 0.10 . 1 . 84 . . 9 PRO CB . 19049 1 89 . 1 1 9 9 PRO CG C 13 27.08 0.10 . 1 . 87 . . 9 PRO CG . 19049 1 90 . 1 1 9 9 PRO CD C 13 50.62 0.10 . 1 . 81 . . 9 PRO CD . 19049 1 91 . 1 1 10 10 ARG H H 1 8.52 0.02 . 1 . 94 . . 10 ARG H . 19049 1 92 . 1 1 10 10 ARG HA H 1 4.33 0.02 . 1 . 96 . . 10 ARG HA . 19049 1 93 . 1 1 10 10 ARG HB2 H 1 1.83 0.02 . 2 . 98 . . 10 ARG HB2 . 19049 1 94 . 1 1 10 10 ARG HB3 H 1 1.75 0.02 . 2 . 99 . . 10 ARG HB3 . 19049 1 95 . 1 1 10 10 ARG HG2 H 1 1.65 0.02 . 1 . 101 . . 10 ARG HG2 . 19049 1 96 . 1 1 10 10 ARG HG3 H 1 1.65 0.02 . 1 . 102 . . 10 ARG HG3 . 19049 1 97 . 1 1 10 10 ARG HD2 H 1 3.18 0.02 . 1 . 104 . . 10 ARG HD2 . 19049 1 98 . 1 1 10 10 ARG HD3 H 1 3.18 0.02 . 1 . 105 . . 10 ARG HD3 . 19049 1 99 . 1 1 10 10 ARG HE H 1 7.23 0.02 . 1 . 107 . . 10 ARG HE . 19049 1 100 . 1 1 10 10 ARG C C 13 176.64 0.10 . 1 . 109 . . 10 ARG C . 19049 1 101 . 1 1 10 10 ARG CA C 13 56.15 0.10 . 1 . 95 . . 10 ARG CA . 19049 1 102 . 1 1 10 10 ARG CB C 13 30.90 0.10 . 1 . 97 . . 10 ARG CB . 19049 1 103 . 1 1 10 10 ARG CG C 13 27.19 0.10 . 1 . 100 . . 10 ARG CG . 19049 1 104 . 1 1 10 10 ARG CD C 13 43.34 0.10 . 1 . 103 . . 10 ARG CD . 19049 1 105 . 1 1 10 10 ARG CZ C 13 159.83 0.10 . 1 . 108 . . 10 ARG CZ . 19049 1 106 . 1 1 10 10 ARG N N 15 121.80 0.10 . 1 . 93 . . 10 ARG N . 19049 1 107 . 1 1 10 10 ARG NE N 15 84.91 0.10 . 1 . 106 . . 10 ARG NE . 19049 1 108 . 1 1 11 11 THR H H 1 8.14 0.02 . 1 . 111 . . 11 THR H . 19049 1 109 . 1 1 11 11 THR HA H 1 4.22 0.02 . 1 . 113 . . 11 THR HA . 19049 1 110 . 1 1 11 11 THR HB H 1 4.06 0.02 . 1 . 115 . . 11 THR HB . 19049 1 111 . 1 1 11 11 THR C C 13 173.77 0.10 . 1 . 118 . . 11 THR C . 19049 1 112 . 1 1 11 11 THR CA C 13 61.47 0.10 . 1 . 112 . . 11 THR CA . 19049 1 113 . 1 1 11 11 THR CB C 13 69.85 0.10 . 1 . 114 . . 11 THR CB . 19049 1 114 . 1 1 11 11 THR CG2 C 13 21.64 0.10 . 1 . 117 . . 11 THR CG2 . 19049 1 115 . 1 1 11 11 THR N N 15 115.27 0.10 . 1 . 110 . . 11 THR N . 19049 1 116 . 1 1 12 12 ALA H H 1 8.16 0.02 . 1 . 120 . . 12 ALA H . 19049 1 117 . 1 1 12 12 ALA HA H 1 4.27 0.02 . 1 . 122 . . 12 ALA HA . 19049 1 118 . 1 1 12 12 ALA C C 13 177.24 0.10 . 1 . 125 . . 12 ALA C . 19049 1 119 . 1 1 12 12 ALA CA C 13 51.98 0.10 . 1 . 121 . . 12 ALA CA . 19049 1 120 . 1 1 12 12 ALA CB C 13 19.51 0.10 . 1 . 124 . . 12 ALA CB . 19049 1 121 . 1 1 12 12 ALA N N 15 126.75 0.10 . 1 . 119 . . 12 ALA N . 19049 1 122 . 1 1 13 13 PHE H H 1 8.03 0.02 . 1 . 127 . . 13 PHE H . 19049 1 123 . 1 1 13 13 PHE HA H 1 5.05 0.02 . 1 . 129 . . 13 PHE HA . 19049 1 124 . 1 1 13 13 PHE HB2 H 1 3.21 0.02 . 2 . 131 . . 13 PHE HB2 . 19049 1 125 . 1 1 13 13 PHE HB3 H 1 2.75 0.02 . 2 . 132 . . 13 PHE HB3 . 19049 1 126 . 1 1 13 13 PHE HD1 H 1 7.06 0.02 . 3 . 139 . . 13 PHE HD1 . 19049 1 127 . 1 1 13 13 PHE HD2 H 1 7.06 0.02 . 3 . 140 . . 13 PHE HD2 . 19049 1 128 . 1 1 13 13 PHE HE1 H 1 7.13 0.02 . 3 . 141 . . 13 PHE HE1 . 19049 1 129 . 1 1 13 13 PHE HE2 H 1 7.13 0.02 . 3 . 142 . . 13 PHE HE2 . 19049 1 130 . 1 1 13 13 PHE HZ H 1 7.19 0.02 . 1 . 138 . . 13 PHE HZ . 19049 1 131 . 1 1 13 13 PHE C C 13 177.24 0.10 . 1 . 143 . . 13 PHE C . 19049 1 132 . 1 1 13 13 PHE CA C 13 56.08 0.10 . 1 . 128 . . 13 PHE CA . 19049 1 133 . 1 1 13 13 PHE CB C 13 40.53 0.10 . 1 . 130 . . 13 PHE CB . 19049 1 134 . 1 1 13 13 PHE CD1 C 13 130.97 0.10 . 3 . 133 . . 13 PHE CD1 . 19049 1 135 . 1 1 13 13 PHE CD2 C 13 130.97 0.10 . 3 . 134 . . 13 PHE CD2 . 19049 1 136 . 1 1 13 13 PHE CE1 C 13 131.41 0.10 . 3 . 135 . . 13 PHE CE1 . 19049 1 137 . 1 1 13 13 PHE CE2 C 13 131.41 0.10 . 3 . 136 . . 13 PHE CE2 . 19049 1 138 . 1 1 13 13 PHE CZ C 13 128.72 0.10 . 1 . 137 . . 13 PHE CZ . 19049 1 139 . 1 1 13 13 PHE N N 15 118.85 0.10 . 1 . 126 . . 13 PHE N . 19049 1 140 . 1 1 14 14 THR H H 1 8.97 0.02 . 1 . 145 . . 14 THR H . 19049 1 141 . 1 1 14 14 THR HA H 1 4.43 0.02 . 1 . 147 . . 14 THR HA . 19049 1 142 . 1 1 14 14 THR HB H 1 4.80 0.02 . 1 . 149 . . 14 THR HB . 19049 1 143 . 1 1 14 14 THR C C 13 175.37 0.10 . 1 . 152 . . 14 THR C . 19049 1 144 . 1 1 14 14 THR CA C 13 60.62 0.10 . 1 . 146 . . 14 THR CA . 19049 1 145 . 1 1 14 14 THR CB C 13 71.71 0.10 . 1 . 148 . . 14 THR CB . 19049 1 146 . 1 1 14 14 THR CG2 C 13 21.72 0.10 . 1 . 151 . . 14 THR CG2 . 19049 1 147 . 1 1 14 14 THR N N 15 113.53 0.10 . 1 . 144 . . 14 THR N . 19049 1 148 . 1 1 15 15 ALA H H 1 8.98 0.02 . 1 . 154 . . 15 ALA H . 19049 1 149 . 1 1 15 15 ALA HA H 1 4.05 0.02 . 1 . 156 . . 15 ALA HA . 19049 1 150 . 1 1 15 15 ALA C C 13 180.85 0.10 . 1 . 159 . . 15 ALA C . 19049 1 151 . 1 1 15 15 ALA CA C 13 55.66 0.10 . 1 . 155 . . 15 ALA CA . 19049 1 152 . 1 1 15 15 ALA CB C 13 17.86 0.10 . 1 . 158 . . 15 ALA CB . 19049 1 153 . 1 1 15 15 ALA N N 15 123.59 0.10 . 1 . 153 . . 15 ALA N . 19049 1 154 . 1 1 16 16 GLU H H 1 8.69 0.02 . 1 . 161 . . 16 GLU H . 19049 1 155 . 1 1 16 16 GLU HA H 1 4.07 0.02 . 1 . 163 . . 16 GLU HA . 19049 1 156 . 1 1 16 16 GLU HB2 H 1 2.08 0.02 . 2 . 165 . . 16 GLU HB2 . 19049 1 157 . 1 1 16 16 GLU HB3 H 1 1.93 0.02 . 2 . 166 . . 16 GLU HB3 . 19049 1 158 . 1 1 16 16 GLU HG2 H 1 2.16 0.02 . 1 . 168 . . 16 GLU HG2 . 19049 1 159 . 1 1 16 16 GLU HG3 H 1 2.16 0.02 . 1 . 169 . . 16 GLU HG3 . 19049 1 160 . 1 1 16 16 GLU C C 13 179.74 0.10 . 1 . 171 . . 16 GLU C . 19049 1 161 . 1 1 16 16 GLU CA C 13 59.63 0.10 . 1 . 162 . . 16 GLU CA . 19049 1 162 . 1 1 16 16 GLU CB C 13 28.79 0.10 . 1 . 164 . . 16 GLU CB . 19049 1 163 . 1 1 16 16 GLU CG C 13 35.62 0.10 . 1 . 167 . . 16 GLU CG . 19049 1 164 . 1 1 16 16 GLU CD C 13 182.81 0.10 . 1 . 170 . . 16 GLU CD . 19049 1 165 . 1 1 16 16 GLU N N 15 117.55 0.10 . 1 . 160 . . 16 GLU N . 19049 1 166 . 1 1 17 17 GLN H H 1 7.77 0.02 . 1 . 173 . . 17 GLN H . 19049 1 167 . 1 1 17 17 GLN HA H 1 3.76 0.02 . 1 . 175 . . 17 GLN HA . 19049 1 168 . 1 1 17 17 GLN HB2 H 1 2.56 0.02 . 2 . 177 . . 17 GLN HB2 . 19049 1 169 . 1 1 17 17 GLN HB3 H 1 1.43 0.02 . 2 . 178 . . 17 GLN HB3 . 19049 1 170 . 1 1 17 17 GLN HG2 H 1 2.63 0.02 . 2 . 180 . . 17 GLN HG2 . 19049 1 171 . 1 1 17 17 GLN HG3 H 1 2.29 0.02 . 2 . 181 . . 17 GLN HG3 . 19049 1 172 . 1 1 17 17 GLN HE21 H 1 7.55 0.02 . 1 . 184 . . 17 GLN HE21 . 19049 1 173 . 1 1 17 17 GLN HE22 H 1 6.72 0.02 . 1 . 185 . . 17 GLN HE22 . 19049 1 174 . 1 1 17 17 GLN C C 13 178.03 0.10 . 1 . 186 . . 17 GLN C . 19049 1 175 . 1 1 17 17 GLN CA C 13 59.05 0.10 . 1 . 174 . . 17 GLN CA . 19049 1 176 . 1 1 17 17 GLN CB C 13 27.77 0.10 . 1 . 176 . . 17 GLN CB . 19049 1 177 . 1 1 17 17 GLN CG C 13 34.70 0.10 . 1 . 179 . . 17 GLN CG . 19049 1 178 . 1 1 17 17 GLN CD C 13 178.68 0.10 . 1 . 182 . . 17 GLN CD . 19049 1 179 . 1 1 17 17 GLN N N 15 119.43 0.10 . 1 . 172 . . 17 GLN N . 19049 1 180 . 1 1 17 17 GLN NE2 N 15 110.26 0.10 . 1 . 183 . . 17 GLN NE2 . 19049 1 181 . 1 1 18 18 LEU H H 1 8.37 0.02 . 1 . 188 . . 18 LEU H . 19049 1 182 . 1 1 18 18 LEU HA H 1 3.56 0.02 . 1 . 190 . . 18 LEU HA . 19049 1 183 . 1 1 18 18 LEU HB2 H 1 1.49 0.02 . 2 . 192 . . 18 LEU HB2 . 19049 1 184 . 1 1 18 18 LEU HB3 H 1 1.72 0.02 . 2 . 193 . . 18 LEU HB3 . 19049 1 185 . 1 1 18 18 LEU HG H 1 1.57 0.02 . 1 . 195 . . 18 LEU HG . 19049 1 186 . 1 1 18 18 LEU C C 13 178.84 0.10 . 1 . 200 . . 18 LEU C . 19049 1 187 . 1 1 18 18 LEU CA C 13 57.94 0.10 . 1 . 189 . . 18 LEU CA . 19049 1 188 . 1 1 18 18 LEU CB C 13 41.89 0.10 . 1 . 191 . . 18 LEU CB . 19049 1 189 . 1 1 18 18 LEU CG C 13 27.02 0.10 . 1 . 194 . . 18 LEU CG . 19049 1 190 . 1 1 18 18 LEU CD1 C 13 24.71 0.10 . 2 . 198 . . 18 LEU CD1 . 19049 1 191 . 1 1 18 18 LEU CD2 C 13 24.00 0.10 . 2 . 199 . . 18 LEU CD2 . 19049 1 192 . 1 1 18 18 LEU N N 15 118.08 0.10 . 1 . 187 . . 18 LEU N . 19049 1 193 . 1 1 19 19 GLN H H 1 8.14 0.02 . 1 . 202 . . 19 GLN H . 19049 1 194 . 1 1 19 19 GLN HA H 1 3.91 0.02 . 1 . 204 . . 19 GLN HA . 19049 1 195 . 1 1 19 19 GLN HB2 H 1 2.12 0.02 . 1 . 206 . . 19 GLN HB2 . 19049 1 196 . 1 1 19 19 GLN HB3 H 1 2.12 0.02 . 1 . 207 . . 19 GLN HB3 . 19049 1 197 . 1 1 19 19 GLN HG2 H 1 2.43 0.02 . 1 . 209 . . 19 GLN HG2 . 19049 1 198 . 1 1 19 19 GLN HG3 H 1 2.43 0.02 . 1 . 210 . . 19 GLN HG3 . 19049 1 199 . 1 1 19 19 GLN HE21 H 1 7.40 0.02 . 1 . 213 . . 19 GLN HE21 . 19049 1 200 . 1 1 19 19 GLN HE22 H 1 6.86 0.02 . 1 . 214 . . 19 GLN HE22 . 19049 1 201 . 1 1 19 19 GLN C C 13 179.23 0.10 . 1 . 215 . . 19 GLN C . 19049 1 202 . 1 1 19 19 GLN CA C 13 59.15 0.10 . 1 . 203 . . 19 GLN CA . 19049 1 203 . 1 1 19 19 GLN CB C 13 28.30 0.10 . 1 . 205 . . 19 GLN CB . 19049 1 204 . 1 1 19 19 GLN CG C 13 34.11 0.10 . 1 . 208 . . 19 GLN CG . 19049 1 205 . 1 1 19 19 GLN CD C 13 180.23 0.10 . 1 . 211 . . 19 GLN CD . 19049 1 206 . 1 1 19 19 GLN N N 15 118.09 0.10 . 1 . 201 . . 19 GLN N . 19049 1 207 . 1 1 19 19 GLN NE2 N 15 111.32 0.10 . 1 . 212 . . 19 GLN NE2 . 19049 1 208 . 1 1 20 20 ARG H H 1 7.57 0.02 . 1 . 217 . . 20 ARG H . 19049 1 209 . 1 1 20 20 ARG HA H 1 4.15 0.02 . 1 . 219 . . 20 ARG HA . 19049 1 210 . 1 1 20 20 ARG HB2 H 1 1.90 0.02 . 2 . 221 . . 20 ARG HB2 . 19049 1 211 . 1 1 20 20 ARG HB3 H 1 1.55 0.02 . 2 . 222 . . 20 ARG HB3 . 19049 1 212 . 1 1 20 20 ARG HG2 H 1 1.75 0.02 . 2 . 224 . . 20 ARG HG2 . 19049 1 213 . 1 1 20 20 ARG HG3 H 1 1.49 0.02 . 2 . 225 . . 20 ARG HG3 . 19049 1 214 . 1 1 20 20 ARG HD2 H 1 3.29 0.02 . 2 . 227 . . 20 ARG HD2 . 19049 1 215 . 1 1 20 20 ARG HD3 H 1 3.13 0.02 . 2 . 228 . . 20 ARG HD3 . 19049 1 216 . 1 1 20 20 ARG HE H 1 8.04 0.02 . 1 . 230 . . 20 ARG HE . 19049 1 217 . 1 1 20 20 ARG C C 13 178.83 0.10 . 1 . 232 . . 20 ARG C . 19049 1 218 . 1 1 20 20 ARG CA C 13 57.59 0.10 . 1 . 218 . . 20 ARG CA . 19049 1 219 . 1 1 20 20 ARG CB C 13 28.96 0.10 . 1 . 220 . . 20 ARG CB . 19049 1 220 . 1 1 20 20 ARG CG C 13 27.22 0.10 . 1 . 223 . . 20 ARG CG . 19049 1 221 . 1 1 20 20 ARG CD C 13 41.66 0.10 . 1 . 226 . . 20 ARG CD . 19049 1 222 . 1 1 20 20 ARG CZ C 13 160.19 0.10 . 1 . 231 . . 20 ARG CZ . 19049 1 223 . 1 1 20 20 ARG N N 15 119.36 0.10 . 1 . 216 . . 20 ARG N . 19049 1 224 . 1 1 20 20 ARG NE N 15 84.72 0.10 . 1 . 229 . . 20 ARG NE . 19049 1 225 . 1 1 21 21 LEU H H 1 8.18 0.02 . 1 . 234 . . 21 LEU H . 19049 1 226 . 1 1 21 21 LEU HA H 1 3.59 0.02 . 1 . 236 . . 21 LEU HA . 19049 1 227 . 1 1 21 21 LEU HB2 H 1 0.70 0.02 . 2 . 238 . . 21 LEU HB2 . 19049 1 228 . 1 1 21 21 LEU HB3 H 1 -0.37 0.02 . 2 . 239 . . 21 LEU HB3 . 19049 1 229 . 1 1 21 21 LEU HG H 1 1.15 0.02 . 1 . 241 . . 21 LEU HG . 19049 1 230 . 1 1 21 21 LEU C C 13 178.31 0.10 . 1 . 246 . . 21 LEU C . 19049 1 231 . 1 1 21 21 LEU CA C 13 58.48 0.10 . 1 . 235 . . 21 LEU CA . 19049 1 232 . 1 1 21 21 LEU CB C 13 38.76 0.10 . 1 . 237 . . 21 LEU CB . 19049 1 233 . 1 1 21 21 LEU CG C 13 25.94 0.10 . 1 . 240 . . 21 LEU CG . 19049 1 234 . 1 1 21 21 LEU CD1 C 13 24.31 0.10 . 2 . 244 . . 21 LEU CD1 . 19049 1 235 . 1 1 21 21 LEU CD2 C 13 22.81 0.10 . 2 . 245 . . 21 LEU CD2 . 19049 1 236 . 1 1 21 21 LEU N N 15 120.87 0.10 . 1 . 233 . . 21 LEU N . 19049 1 237 . 1 1 22 22 LYS H H 1 8.23 0.02 . 1 . 248 . . 22 LYS H . 19049 1 238 . 1 1 22 22 LYS HA H 1 3.96 0.02 . 1 . 250 . . 22 LYS HA . 19049 1 239 . 1 1 22 22 LYS HB2 H 1 1.92 0.02 . 1 . 252 . . 22 LYS HB2 . 19049 1 240 . 1 1 22 22 LYS HB3 H 1 1.92 0.02 . 1 . 253 . . 22 LYS HB3 . 19049 1 241 . 1 1 22 22 LYS HG2 H 1 1.43 0.02 . 1 . 258 . . 22 LYS HD2 . 19049 1 242 . 1 1 22 22 LYS HG3 H 1 1.43 0.02 . 1 . 259 . . 22 LYS HD3 . 19049 1 243 . 1 1 22 22 LYS HD2 H 1 1.68 0.02 . 1 . 255 . . 22 LYS HG2 . 19049 1 244 . 1 1 22 22 LYS HD3 H 1 1.68 0.02 . 1 . 256 . . 22 LYS HG3 . 19049 1 245 . 1 1 22 22 LYS HE2 H 1 3.55 0.02 . 1 . 261 . . 22 LYS HE2 . 19049 1 246 . 1 1 22 22 LYS HE3 H 1 3.55 0.02 . 1 . 262 . . 22 LYS HE3 . 19049 1 247 . 1 1 22 22 LYS C C 13 179.45 0.10 . 1 . 263 . . 22 LYS C . 19049 1 248 . 1 1 22 22 LYS CA C 13 60.70 0.10 . 1 . 249 . . 22 LYS CA . 19049 1 249 . 1 1 22 22 LYS CB C 13 32.36 0.10 . 1 . 251 . . 22 LYS CB . 19049 1 250 . 1 1 22 22 LYS CG C 13 26.48 0.10 . 1 . 257 . . 22 LYS CD . 19049 1 251 . 1 1 22 22 LYS CD C 13 29.88 0.10 . 1 . 254 . . 22 LYS CG . 19049 1 252 . 1 1 22 22 LYS CE C 13 43.04 0.10 . 1 . 260 . . 22 LYS CE . 19049 1 253 . 1 1 22 22 LYS N N 15 118.01 0.10 . 1 . 247 . . 22 LYS N . 19049 1 254 . 1 1 23 23 ALA H H 1 7.78 0.02 . 1 . 265 . . 23 ALA H . 19049 1 255 . 1 1 23 23 ALA HA H 1 4.17 0.02 . 1 . 267 . . 23 ALA HA . 19049 1 256 . 1 1 23 23 ALA C C 13 181.19 0.10 . 1 . 270 . . 23 ALA C . 19049 1 257 . 1 1 23 23 ALA CA C 13 55.10 0.10 . 1 . 266 . . 23 ALA CA . 19049 1 258 . 1 1 23 23 ALA CB C 13 18.13 0.10 . 1 . 269 . . 23 ALA CB . 19049 1 259 . 1 1 23 23 ALA N N 15 121.85 0.10 . 1 . 264 . . 23 ALA N . 19049 1 260 . 1 1 24 24 GLU H H 1 8.38 0.02 . 1 . 272 . . 24 GLU H . 19049 1 261 . 1 1 24 24 GLU HA H 1 3.94 0.02 . 1 . 274 . . 24 GLU HA . 19049 1 262 . 1 1 24 24 GLU HB2 H 1 2.17 0.02 . 1 . 276 . . 24 GLU HB2 . 19049 1 263 . 1 1 24 24 GLU HB3 H 1 2.17 0.02 . 1 . 277 . . 24 GLU HB3 . 19049 1 264 . 1 1 24 24 GLU HG2 H 1 2.56 0.02 . 1 . 279 . . 24 GLU HG2 . 19049 1 265 . 1 1 24 24 GLU HG3 H 1 2.56 0.02 . 1 . 280 . . 24 GLU HG3 . 19049 1 266 . 1 1 24 24 GLU C C 13 178.93 0.10 . 1 . 282 . . 24 GLU C . 19049 1 267 . 1 1 24 24 GLU CA C 13 59.39 0.10 . 1 . 273 . . 24 GLU CA . 19049 1 268 . 1 1 24 24 GLU CB C 13 28.62 0.10 . 1 . 275 . . 24 GLU CB . 19049 1 269 . 1 1 24 24 GLU CG C 13 34.07 0.10 . 1 . 278 . . 24 GLU CG . 19049 1 270 . 1 1 24 24 GLU CD C 13 181.99 0.10 . 1 . 281 . . 24 GLU CD . 19049 1 271 . 1 1 24 24 GLU N N 15 119.17 0.10 . 1 . 271 . . 24 GLU N . 19049 1 272 . 1 1 25 25 PHE H H 1 8.75 0.02 . 1 . 284 . . 25 PHE H . 19049 1 273 . 1 1 25 25 PHE HA H 1 4.30 0.02 . 1 . 286 . . 25 PHE HA . 19049 1 274 . 1 1 25 25 PHE HB2 H 1 3.15 0.02 . 2 . 288 . . 25 PHE HB2 . 19049 1 275 . 1 1 25 25 PHE HB3 H 1 3.01 0.02 . 2 . 289 . . 25 PHE HB3 . 19049 1 276 . 1 1 25 25 PHE HD1 H 1 6.89 0.02 . 3 . 296 . . 25 PHE HD1 . 19049 1 277 . 1 1 25 25 PHE HD2 H 1 6.89 0.02 . 3 . 297 . . 25 PHE HD2 . 19049 1 278 . 1 1 25 25 PHE HE1 H 1 7.16 0.02 . 3 . 298 . . 25 PHE HE1 . 19049 1 279 . 1 1 25 25 PHE HE2 H 1 7.16 0.02 . 3 . 299 . . 25 PHE HE2 . 19049 1 280 . 1 1 25 25 PHE HZ H 1 6.80 0.02 . 1 . 295 . . 25 PHE HZ . 19049 1 281 . 1 1 25 25 PHE C C 13 176.30 0.10 . 1 . 300 . . 25 PHE C . 19049 1 282 . 1 1 25 25 PHE CA C 13 60.97 0.10 . 1 . 285 . . 25 PHE CA . 19049 1 283 . 1 1 25 25 PHE CB C 13 39.41 0.10 . 1 . 287 . . 25 PHE CB . 19049 1 284 . 1 1 25 25 PHE CD1 C 13 132.26 0.10 . 3 . 290 . . 25 PHE CD1 . 19049 1 285 . 1 1 25 25 PHE CD2 C 13 132.26 0.10 . 3 . 291 . . 25 PHE CD2 . 19049 1 286 . 1 1 25 25 PHE CE1 C 13 131.05 0.10 . 3 . 292 . . 25 PHE CE1 . 19049 1 287 . 1 1 25 25 PHE CE2 C 13 131.05 0.10 . 3 . 293 . . 25 PHE CE2 . 19049 1 288 . 1 1 25 25 PHE CZ C 13 128.85 0.10 . 1 . 294 . . 25 PHE CZ . 19049 1 289 . 1 1 25 25 PHE N N 15 121.36 0.10 . 1 . 283 . . 25 PHE N . 19049 1 290 . 1 1 26 26 GLN H H 1 7.91 0.02 . 1 . 302 . . 26 GLN H . 19049 1 291 . 1 1 26 26 GLN HA H 1 3.96 0.02 . 1 . 304 . . 26 GLN HA . 19049 1 292 . 1 1 26 26 GLN HB2 H 1 2.25 0.02 . 2 . 306 . . 26 GLN HB2 . 19049 1 293 . 1 1 26 26 GLN HB3 H 1 2.14 0.02 . 2 . 307 . . 26 GLN HB3 . 19049 1 294 . 1 1 26 26 GLN HG2 H 1 2.55 0.02 . 2 . 309 . . 26 GLN HG2 . 19049 1 295 . 1 1 26 26 GLN HG3 H 1 2.34 0.02 . 2 . 310 . . 26 GLN HG3 . 19049 1 296 . 1 1 26 26 GLN HE21 H 1 7.51 0.02 . 1 . 313 . . 26 GLN HE21 . 19049 1 297 . 1 1 26 26 GLN HE22 H 1 6.90 0.02 . 1 . 314 . . 26 GLN HE22 . 19049 1 298 . 1 1 26 26 GLN C C 13 177.86 0.10 . 1 . 315 . . 26 GLN C . 19049 1 299 . 1 1 26 26 GLN CA C 13 57.98 0.10 . 1 . 303 . . 26 GLN CA . 19049 1 300 . 1 1 26 26 GLN CB C 13 27.14 0.10 . 1 . 305 . . 26 GLN CB . 19049 1 301 . 1 1 26 26 GLN CG C 13 35.88 0.10 . 1 . 308 . . 26 GLN CG . 19049 1 302 . 1 1 26 26 GLN CD C 13 180.62 0.10 . 1 . 311 . . 26 GLN CD . 19049 1 303 . 1 1 26 26 GLN N N 15 115.36 0.10 . 1 . 301 . . 26 GLN N . 19049 1 304 . 1 1 26 26 GLN NE2 N 15 111.58 0.10 . 1 . 312 . . 26 GLN NE2 . 19049 1 305 . 1 1 27 27 THR H H 1 7.68 0.02 . 1 . 317 . . 27 THR H . 19049 1 306 . 1 1 27 27 THR HA H 1 4.08 0.02 . 1 . 319 . . 27 THR HA . 19049 1 307 . 1 1 27 27 THR HB H 1 4.26 0.02 . 1 . 321 . . 27 THR HB . 19049 1 308 . 1 1 27 27 THR C C 13 174.74 0.10 . 1 . 324 . . 27 THR C . 19049 1 309 . 1 1 27 27 THR CA C 13 64.92 0.10 . 1 . 318 . . 27 THR CA . 19049 1 310 . 1 1 27 27 THR CB C 13 69.39 0.10 . 1 . 320 . . 27 THR CB . 19049 1 311 . 1 1 27 27 THR CG2 C 13 21.78 0.10 . 1 . 323 . . 27 THR CG2 . 19049 1 312 . 1 1 27 27 THR N N 15 113.19 0.10 . 1 . 316 . . 27 THR N . 19049 1 313 . 1 1 28 28 ASN H H 1 8.16 0.02 . 1 . 326 . . 28 ASN H . 19049 1 314 . 1 1 28 28 ASN HA H 1 4.70 0.02 . 1 . 328 . . 28 ASN HA . 19049 1 315 . 1 1 28 28 ASN HB2 H 1 2.88 0.02 . 2 . 330 . . 28 ASN HB2 . 19049 1 316 . 1 1 28 28 ASN HB3 H 1 2.80 0.02 . 2 . 331 . . 28 ASN HB3 . 19049 1 317 . 1 1 28 28 ASN HD21 H 1 7.77 0.02 . 1 . 334 . . 28 ASN HD21 . 19049 1 318 . 1 1 28 28 ASN HD22 H 1 6.96 0.02 . 1 . 335 . . 28 ASN HD22 . 19049 1 319 . 1 1 28 28 ASN C C 13 173.60 0.10 . 1 . 336 . . 28 ASN C . 19049 1 320 . 1 1 28 28 ASN CA C 13 53.45 0.10 . 1 . 327 . . 28 ASN CA . 19049 1 321 . 1 1 28 28 ASN CB C 13 39.99 0.10 . 1 . 329 . . 28 ASN CB . 19049 1 322 . 1 1 28 28 ASN CG C 13 177.73 0.10 . 1 . 332 . . 28 ASN CG . 19049 1 323 . 1 1 28 28 ASN N N 15 118.96 0.10 . 1 . 325 . . 28 ASN N . 19049 1 324 . 1 1 28 28 ASN ND2 N 15 112.47 0.10 . 1 . 333 . . 28 ASN ND2 . 19049 1 325 . 1 1 29 29 ARG H H 1 8.32 0.02 . 1 . 338 . . 29 ARG H . 19049 1 326 . 1 1 29 29 ARG HA H 1 3.73 0.02 . 1 . 340 . . 29 ARG HA . 19049 1 327 . 1 1 29 29 ARG HB2 H 1 1.37 0.02 . 2 . 342 . . 29 ARG HB2 . 19049 1 328 . 1 1 29 29 ARG HB3 H 1 1.24 0.02 . 2 . 343 . . 29 ARG HB3 . 19049 1 329 . 1 1 29 29 ARG HG2 H 1 1.12 0.02 . 2 . 345 . . 29 ARG HG2 . 19049 1 330 . 1 1 29 29 ARG HG3 H 1 0.82 0.02 . 2 . 346 . . 29 ARG HG3 . 19049 1 331 . 1 1 29 29 ARG HD2 H 1 2.92 0.02 . 2 . 348 . . 29 ARG HD2 . 19049 1 332 . 1 1 29 29 ARG HD3 H 1 2.79 0.02 . 2 . 349 . . 29 ARG HD3 . 19049 1 333 . 1 1 29 29 ARG HE H 1 7.13 0.02 . 1 . 351 . . 29 ARG HE . 19049 1 334 . 1 1 29 29 ARG C C 13 174.82 0.10 . 1 . 353 . . 29 ARG C . 19049 1 335 . 1 1 29 29 ARG CA C 13 57.22 0.10 . 1 . 339 . . 29 ARG CA . 19049 1 336 . 1 1 29 29 ARG CB C 13 30.28 0.10 . 1 . 341 . . 29 ARG CB . 19049 1 337 . 1 1 29 29 ARG CG C 13 26.75 0.10 . 1 . 344 . . 29 ARG CG . 19049 1 338 . 1 1 29 29 ARG CD C 13 43.63 0.10 . 1 . 347 . . 29 ARG CD . 19049 1 339 . 1 1 29 29 ARG CZ C 13 159.66 0.10 . 1 . 352 . . 29 ARG CZ . 19049 1 340 . 1 1 29 29 ARG N N 15 122.49 0.10 . 1 . 337 . . 29 ARG N . 19049 1 341 . 1 1 29 29 ARG NE N 15 84.80 0.10 . 1 . 350 . . 29 ARG NE . 19049 1 342 . 1 1 30 30 TYR H H 1 7.98 0.02 . 1 . 355 . . 30 TYR H . 19049 1 343 . 1 1 30 30 TYR HA H 1 4.54 0.02 . 1 . 357 . . 30 TYR HA . 19049 1 344 . 1 1 30 30 TYR HB2 H 1 2.92 0.02 . 2 . 359 . . 30 TYR HB2 . 19049 1 345 . 1 1 30 30 TYR HB3 H 1 2.75 0.02 . 2 . 360 . . 30 TYR HB3 . 19049 1 346 . 1 1 30 30 TYR HD1 H 1 7.10 0.02 . 3 . 367 . . 30 TYR HD1 . 19049 1 347 . 1 1 30 30 TYR HD2 H 1 7.10 0.02 . 3 . 368 . . 30 TYR HD2 . 19049 1 348 . 1 1 30 30 TYR HE1 H 1 6.78 0.02 . 3 . 365 . . 30 TYR HE1 . 19049 1 349 . 1 1 30 30 TYR HE2 H 1 6.78 0.02 . 3 . 366 . . 30 TYR HE2 . 19049 1 350 . 1 1 30 30 TYR C C 13 175.16 0.10 . 1 . 369 . . 30 TYR C . 19049 1 351 . 1 1 30 30 TYR CA C 13 57.02 0.10 . 1 . 356 . . 30 TYR CA . 19049 1 352 . 1 1 30 30 TYR CB C 13 40.24 0.10 . 1 . 358 . . 30 TYR CB . 19049 1 353 . 1 1 30 30 TYR CD1 C 13 133.45 0.10 . 3 . 361 . . 30 TYR CD1 . 19049 1 354 . 1 1 30 30 TYR CD2 C 13 133.45 0.10 . 3 . 362 . . 30 TYR CD2 . 19049 1 355 . 1 1 30 30 TYR CE1 C 13 117.99 0.10 . 3 . 363 . . 30 TYR CE1 . 19049 1 356 . 1 1 30 30 TYR CE2 C 13 117.99 0.10 . 3 . 364 . . 30 TYR CE2 . 19049 1 357 . 1 1 30 30 TYR N N 15 117.77 0.10 . 1 . 354 . . 30 TYR N . 19049 1 358 . 1 1 31 31 LEU H H 1 8.16 0.02 . 1 . 371 . . 31 LEU H . 19049 1 359 . 1 1 31 31 LEU HA H 1 4.41 0.02 . 1 . 373 . . 31 LEU HA . 19049 1 360 . 1 1 31 31 LEU HB2 H 1 1.25 0.02 . 1 . 375 . . 31 LEU HB2 . 19049 1 361 . 1 1 31 31 LEU HB3 H 1 1.25 0.02 . 1 . 376 . . 31 LEU HB3 . 19049 1 362 . 1 1 31 31 LEU HG H 1 0.83 0.02 . 1 . 378 . . 31 LEU HG . 19049 1 363 . 1 1 31 31 LEU C C 13 177.68 0.10 . 1 . 383 . . 31 LEU C . 19049 1 364 . 1 1 31 31 LEU CA C 13 53.66 0.10 . 1 . 372 . . 31 LEU CA . 19049 1 365 . 1 1 31 31 LEU CB C 13 43.89 0.10 . 1 . 374 . . 31 LEU CB . 19049 1 366 . 1 1 31 31 LEU CG C 13 26.80 0.10 . 1 . 377 . . 31 LEU CG . 19049 1 367 . 1 1 31 31 LEU CD1 C 13 23.83 0.10 . 2 . 381 . . 31 LEU CD1 . 19049 1 368 . 1 1 31 31 LEU CD2 C 13 25.89 0.10 . 2 . 382 . . 31 LEU CD2 . 19049 1 369 . 1 1 31 31 LEU N N 15 123.69 0.10 . 1 . 370 . . 31 LEU N . 19049 1 370 . 1 1 32 32 THR H H 1 7.58 0.02 . 1 . 385 . . 32 THR H . 19049 1 371 . 1 1 32 32 THR HA H 1 4.39 0.02 . 1 . 387 . . 32 THR HA . 19049 1 372 . 1 1 32 32 THR HB H 1 4.74 0.02 . 1 . 389 . . 32 THR HB . 19049 1 373 . 1 1 32 32 THR C C 13 175.27 0.10 . 1 . 392 . . 32 THR C . 19049 1 374 . 1 1 32 32 THR CA C 13 60.37 0.10 . 1 . 386 . . 32 THR CA . 19049 1 375 . 1 1 32 32 THR CB C 13 70.92 0.10 . 1 . 388 . . 32 THR CB . 19049 1 376 . 1 1 32 32 THR CG2 C 13 22.15 0.10 . 1 . 391 . . 32 THR CG2 . 19049 1 377 . 1 1 32 32 THR N N 15 113.86 0.10 . 1 . 384 . . 32 THR N . 19049 1 378 . 1 1 33 33 GLU H H 1 9.03 0.02 . 1 . 394 . . 33 GLU H . 19049 1 379 . 1 1 33 33 GLU HA H 1 3.82 0.02 . 1 . 396 . . 33 GLU HA . 19049 1 380 . 1 1 33 33 GLU HB2 H 1 2.09 0.02 . 2 . 398 . . 33 GLU HB2 . 19049 1 381 . 1 1 33 33 GLU HB3 H 1 1.96 0.02 . 2 . 399 . . 33 GLU HB3 . 19049 1 382 . 1 1 33 33 GLU HG2 H 1 2.28 0.02 . 1 . 401 . . 33 GLU HG2 . 19049 1 383 . 1 1 33 33 GLU HG3 H 1 2.28 0.02 . 1 . 402 . . 33 GLU HG3 . 19049 1 384 . 1 1 33 33 GLU C C 13 178.43 0.10 . 1 . 404 . . 33 GLU C . 19049 1 385 . 1 1 33 33 GLU CA C 13 60.06 0.10 . 1 . 395 . . 33 GLU CA . 19049 1 386 . 1 1 33 33 GLU CB C 13 28.73 0.10 . 1 . 397 . . 33 GLU CB . 19049 1 387 . 1 1 33 33 GLU CG C 13 35.69 0.10 . 1 . 400 . . 33 GLU CG . 19049 1 388 . 1 1 33 33 GLU CD C 13 183.36 0.10 . 1 . 403 . . 33 GLU CD . 19049 1 389 . 1 1 33 33 GLU N N 15 122.14 0.10 . 1 . 393 . . 33 GLU N . 19049 1 390 . 1 1 34 34 GLN H H 1 8.53 0.02 . 1 . 406 . . 34 GLN H . 19049 1 391 . 1 1 34 34 GLN HA H 1 4.08 0.02 . 1 . 408 . . 34 GLN HA . 19049 1 392 . 1 1 34 34 GLN HB2 H 1 2.05 0.02 . 2 . 410 . . 34 GLN HB2 . 19049 1 393 . 1 1 34 34 GLN HB3 H 1 1.96 0.02 . 2 . 411 . . 34 GLN HB3 . 19049 1 394 . 1 1 34 34 GLN HG2 H 1 2.40 0.02 . 1 . 413 . . 34 GLN HG2 . 19049 1 395 . 1 1 34 34 GLN HG3 H 1 2.40 0.02 . 1 . 414 . . 34 GLN HG3 . 19049 1 396 . 1 1 34 34 GLN HE22 H 1 7.22 0.02 . 1 . 417 . . 34 GLN HE22 . 19049 1 397 . 1 1 34 34 GLN C C 13 178.95 0.10 . 1 . 418 . . 34 GLN C . 19049 1 398 . 1 1 34 34 GLN CA C 13 59.05 0.10 . 1 . 407 . . 34 GLN CA . 19049 1 399 . 1 1 34 34 GLN CB C 13 28.07 0.10 . 1 . 409 . . 34 GLN CB . 19049 1 400 . 1 1 34 34 GLN CG C 13 33.79 0.10 . 1 . 412 . . 34 GLN CG . 19049 1 401 . 1 1 34 34 GLN CD C 13 180.29 0.10 . 1 . 415 . . 34 GLN CD . 19049 1 402 . 1 1 34 34 GLN N N 15 117.25 0.10 . 1 . 405 . . 34 GLN N . 19049 1 403 . 1 1 34 34 GLN NE2 N 15 112.38 0.10 . 1 . 416 . . 34 GLN NE2 . 19049 1 404 . 1 1 35 35 ARG H H 1 7.80 0.02 . 1 . 420 . . 35 ARG H . 19049 1 405 . 1 1 35 35 ARG HA H 1 4.12 0.02 . 1 . 422 . . 35 ARG HA . 19049 1 406 . 1 1 35 35 ARG HB2 H 1 1.79 0.02 . 1 . 424 . . 35 ARG HB2 . 19049 1 407 . 1 1 35 35 ARG HB3 H 1 1.79 0.02 . 1 . 425 . . 35 ARG HB3 . 19049 1 408 . 1 1 35 35 ARG HG2 H 1 1.72 0.02 . 1 . 427 . . 35 ARG HG2 . 19049 1 409 . 1 1 35 35 ARG HG3 H 1 1.72 0.02 . 1 . 428 . . 35 ARG HG3 . 19049 1 410 . 1 1 35 35 ARG HD2 H 1 3.34 0.02 . 2 . 430 . . 35 ARG HD2 . 19049 1 411 . 1 1 35 35 ARG HD3 H 1 3.10 0.02 . 2 . 431 . . 35 ARG HD3 . 19049 1 412 . 1 1 35 35 ARG HE H 1 7.65 0.02 . 1 . 433 . . 35 ARG HE . 19049 1 413 . 1 1 35 35 ARG HH21 H 1 7.03 0.02 . 1 . 436 . . 35 ARG HH21 . 19049 1 414 . 1 1 35 35 ARG C C 13 178.20 0.10 . 1 . 437 . . 35 ARG C . 19049 1 415 . 1 1 35 35 ARG CA C 13 58.05 0.10 . 1 . 421 . . 35 ARG CA . 19049 1 416 . 1 1 35 35 ARG CB C 13 29.96 0.10 . 1 . 423 . . 35 ARG CB . 19049 1 417 . 1 1 35 35 ARG CG C 13 26.50 0.10 . 1 . 426 . . 35 ARG CG . 19049 1 418 . 1 1 35 35 ARG CD C 13 43.06 0.10 . 1 . 429 . . 35 ARG CD . 19049 1 419 . 1 1 35 35 ARG CZ C 13 159.63 0.10 . 1 . 434 . . 35 ARG CZ . 19049 1 420 . 1 1 35 35 ARG N N 15 120.76 0.10 . 1 . 419 . . 35 ARG N . 19049 1 421 . 1 1 35 35 ARG NE N 15 84.82 0.10 . 1 . 432 . . 35 ARG NE . 19049 1 422 . 1 1 35 35 ARG NH2 N 15 72.49 0.10 . 1 . 435 . . 35 ARG NH2 . 19049 1 423 . 1 1 36 36 ARG H H 1 8.52 0.02 . 1 . 439 . . 36 ARG H . 19049 1 424 . 1 1 36 36 ARG HA H 1 3.67 0.02 . 1 . 441 . . 36 ARG HA . 19049 1 425 . 1 1 36 36 ARG HB2 H 1 1.94 0.02 . 1 . 443 . . 36 ARG HB2 . 19049 1 426 . 1 1 36 36 ARG HB3 H 1 1.94 0.02 . 1 . 444 . . 36 ARG HB3 . 19049 1 427 . 1 1 36 36 ARG HG2 H 1 1.48 0.02 . 1 . 446 . . 36 ARG HG2 . 19049 1 428 . 1 1 36 36 ARG HG3 H 1 1.48 0.02 . 1 . 447 . . 36 ARG HG3 . 19049 1 429 . 1 1 36 36 ARG HD2 H 1 3.25 0.02 . 1 . 449 . . 36 ARG HD2 . 19049 1 430 . 1 1 36 36 ARG HD3 H 1 3.25 0.02 . 1 . 450 . . 36 ARG HD3 . 19049 1 431 . 1 1 36 36 ARG HE H 1 7.80 0.02 . 1 . 452 . . 36 ARG HE . 19049 1 432 . 1 1 36 36 ARG C C 13 177.77 0.10 . 1 . 454 . . 36 ARG C . 19049 1 433 . 1 1 36 36 ARG CA C 13 60.62 0.10 . 1 . 440 . . 36 ARG CA . 19049 1 434 . 1 1 36 36 ARG CB C 13 30.32 0.10 . 1 . 442 . . 36 ARG CB . 19049 1 435 . 1 1 36 36 ARG CG C 13 28.50 0.10 . 1 . 445 . . 36 ARG CG . 19049 1 436 . 1 1 36 36 ARG CD C 13 43.56 0.10 . 1 . 448 . . 36 ARG CD . 19049 1 437 . 1 1 36 36 ARG CZ C 13 160.05 0.10 . 1 . 453 . . 36 ARG CZ . 19049 1 438 . 1 1 36 36 ARG N N 15 119.80 0.10 . 1 . 438 . . 36 ARG N . 19049 1 439 . 1 1 36 36 ARG NE N 15 83.06 0.10 . 1 . 451 . . 36 ARG NE . 19049 1 440 . 1 1 37 37 GLN H H 1 8.09 0.02 . 1 . 456 . . 37 GLN H . 19049 1 441 . 1 1 37 37 GLN HA H 1 4.07 0.02 . 1 . 458 . . 37 GLN HA . 19049 1 442 . 1 1 37 37 GLN HB2 H 1 2.20 0.02 . 1 . 460 . . 37 GLN HB2 . 19049 1 443 . 1 1 37 37 GLN HB3 H 1 2.20 0.02 . 1 . 461 . . 37 GLN HB3 . 19049 1 444 . 1 1 37 37 GLN HG2 H 1 2.53 0.02 . 2 . 463 . . 37 GLN HG2 . 19049 1 445 . 1 1 37 37 GLN HG3 H 1 2.44 0.02 . 2 . 464 . . 37 GLN HG3 . 19049 1 446 . 1 1 37 37 GLN HE21 H 1 7.56 0.02 . 1 . 467 . . 37 GLN HE21 . 19049 1 447 . 1 1 37 37 GLN HE22 H 1 6.76 0.02 . 1 . 468 . . 37 GLN HE22 . 19049 1 448 . 1 1 37 37 GLN C C 13 178.95 0.10 . 1 . 469 . . 37 GLN C . 19049 1 449 . 1 1 37 37 GLN CA C 13 59.00 0.10 . 1 . 457 . . 37 GLN CA . 19049 1 450 . 1 1 37 37 GLN CB C 13 29.62 0.10 . 1 . 459 . . 37 GLN CB . 19049 1 451 . 1 1 37 37 GLN CG C 13 34.07 0.10 . 1 . 462 . . 37 GLN CG . 19049 1 452 . 1 1 37 37 GLN CD C 13 180.33 0.10 . 1 . 465 . . 37 GLN CD . 19049 1 453 . 1 1 37 37 GLN N N 15 117.19 0.10 . 1 . 455 . . 37 GLN N . 19049 1 454 . 1 1 37 37 GLN NE2 N 15 111.06 0.10 . 1 . 466 . . 37 GLN NE2 . 19049 1 455 . 1 1 38 38 SER H H 1 8.12 0.02 . 1 . 471 . . 38 SER H . 19049 1 456 . 1 1 38 38 SER HA H 1 4.22 0.02 . 1 . 473 . . 38 SER HA . 19049 1 457 . 1 1 38 38 SER HB2 H 1 3.95 0.02 . 1 . 475 . . 38 SER HB2 . 19049 1 458 . 1 1 38 38 SER HB3 H 1 3.95 0.02 . 1 . 476 . . 38 SER HB3 . 19049 1 459 . 1 1 38 38 SER C C 13 177.40 0.10 . 1 . 477 . . 38 SER C . 19049 1 460 . 1 1 38 38 SER CA C 13 61.69 0.10 . 1 . 472 . . 38 SER CA . 19049 1 461 . 1 1 38 38 SER CB C 13 62.79 0.10 . 1 . 474 . . 38 SER CB . 19049 1 462 . 1 1 38 38 SER N N 15 115.88 0.10 . 1 . 470 . . 38 SER N . 19049 1 463 . 1 1 39 39 LEU H H 1 8.60 0.02 . 1 . 479 . . 39 LEU H . 19049 1 464 . 1 1 39 39 LEU HA H 1 4.05 0.02 . 1 . 481 . . 39 LEU HA . 19049 1 465 . 1 1 39 39 LEU HB2 H 1 1.69 0.02 . 2 . 483 . . 39 LEU HB2 . 19049 1 466 . 1 1 39 39 LEU HB3 H 1 1.35 0.02 . 2 . 484 . . 39 LEU HB3 . 19049 1 467 . 1 1 39 39 LEU HG H 1 1.66 0.02 . 1 . 486 . . 39 LEU HG . 19049 1 468 . 1 1 39 39 LEU C C 13 178.43 0.10 . 1 . 491 . . 39 LEU C . 19049 1 469 . 1 1 39 39 LEU CA C 13 57.67 0.10 . 1 . 480 . . 39 LEU CA . 19049 1 470 . 1 1 39 39 LEU CB C 13 42.66 0.10 . 1 . 482 . . 39 LEU CB . 19049 1 471 . 1 1 39 39 LEU CG C 13 26.58 0.10 . 1 . 485 . . 39 LEU CG . 19049 1 472 . 1 1 39 39 LEU CD1 C 13 24.34 0.10 . 2 . 489 . . 39 LEU CD1 . 19049 1 473 . 1 1 39 39 LEU CD2 C 13 24.98 0.10 . 2 . 490 . . 39 LEU CD2 . 19049 1 474 . 1 1 39 39 LEU N N 15 123.00 0.10 . 1 . 478 . . 39 LEU N . 19049 1 475 . 1 1 40 40 ALA H H 1 8.07 0.02 . 1 . 493 . . 40 ALA H . 19049 1 476 . 1 1 40 40 ALA HA H 1 3.74 0.02 . 1 . 495 . . 40 ALA HA . 19049 1 477 . 1 1 40 40 ALA C C 13 180.04 0.10 . 1 . 498 . . 40 ALA C . 19049 1 478 . 1 1 40 40 ALA CA C 13 56.36 0.10 . 1 . 494 . . 40 ALA CA . 19049 1 479 . 1 1 40 40 ALA CB C 13 17.88 0.10 . 1 . 497 . . 40 ALA CB . 19049 1 480 . 1 1 40 40 ALA N N 15 121.36 0.10 . 1 . 492 . . 40 ALA N . 19049 1 481 . 1 1 41 41 GLN H H 1 7.75 0.02 . 1 . 500 . . 41 GLN H . 19049 1 482 . 1 1 41 41 GLN HA H 1 4.06 0.02 . 1 . 502 . . 41 GLN HA . 19049 1 483 . 1 1 41 41 GLN HB2 H 1 2.20 0.02 . 1 . 504 . . 41 GLN HB2 . 19049 1 484 . 1 1 41 41 GLN HB3 H 1 2.20 0.02 . 1 . 505 . . 41 GLN HB3 . 19049 1 485 . 1 1 41 41 GLN HG2 H 1 2.53 0.02 . 1 . 507 . . 41 GLN HG2 . 19049 1 486 . 1 1 41 41 GLN HG3 H 1 2.53 0.02 . 1 . 508 . . 41 GLN HG3 . 19049 1 487 . 1 1 41 41 GLN HE21 H 1 7.47 0.02 . 1 . 511 . . 41 GLN HE21 . 19049 1 488 . 1 1 41 41 GLN HE22 H 1 6.84 0.02 . 1 . 512 . . 41 GLN HE22 . 19049 1 489 . 1 1 41 41 GLN C C 13 179.09 0.10 . 1 . 513 . . 41 GLN C . 19049 1 490 . 1 1 41 41 GLN CA C 13 58.59 0.10 . 1 . 501 . . 41 GLN CA . 19049 1 491 . 1 1 41 41 GLN CB C 13 28.45 0.10 . 1 . 503 . . 41 GLN CB . 19049 1 492 . 1 1 41 41 GLN CG C 13 33.91 0.10 . 1 . 506 . . 41 GLN CG . 19049 1 493 . 1 1 41 41 GLN CD C 13 180.35 0.10 . 1 . 509 . . 41 GLN CD . 19049 1 494 . 1 1 41 41 GLN N N 15 116.36 0.10 . 1 . 499 . . 41 GLN N . 19049 1 495 . 1 1 41 41 GLN NE2 N 15 111.56 0.10 . 1 . 510 . . 41 GLN NE2 . 19049 1 496 . 1 1 42 42 GLU H H 1 8.36 0.02 . 1 . 515 . . 42 GLU H . 19049 1 497 . 1 1 42 42 GLU HA H 1 4.02 0.02 . 1 . 517 . . 42 GLU HA . 19049 1 498 . 1 1 42 42 GLU HB2 H 1 2.11 0.02 . 2 . 519 . . 42 GLU HB2 . 19049 1 499 . 1 1 42 42 GLU HB3 H 1 1.99 0.02 . 2 . 520 . . 42 GLU HB3 . 19049 1 500 . 1 1 42 42 GLU HG2 H 1 2.47 0.02 . 1 . 522 . . 42 GLU HG2 . 19049 1 501 . 1 1 42 42 GLU HG3 H 1 2.47 0.02 . 1 . 523 . . 42 GLU HG3 . 19049 1 502 . 1 1 42 42 GLU C C 13 178.72 0.10 . 1 . 525 . . 42 GLU C . 19049 1 503 . 1 1 42 42 GLU CA C 13 59.38 0.10 . 1 . 516 . . 42 GLU CA . 19049 1 504 . 1 1 42 42 GLU CB C 13 29.66 0.10 . 1 . 518 . . 42 GLU CB . 19049 1 505 . 1 1 42 42 GLU CG C 13 35.38 0.10 . 1 . 521 . . 42 GLU CG . 19049 1 506 . 1 1 42 42 GLU CD C 13 181.87 0.10 . 1 . 524 . . 42 GLU CD . 19049 1 507 . 1 1 42 42 GLU N N 15 119.38 0.10 . 1 . 514 . . 42 GLU N . 19049 1 508 . 1 1 43 43 LEU H H 1 8.22 0.02 . 1 . 527 . . 43 LEU H . 19049 1 509 . 1 1 43 43 LEU HA H 1 4.35 0.02 . 1 . 529 . . 43 LEU HA . 19049 1 510 . 1 1 43 43 LEU HB2 H 1 1.67 0.02 . 2 . 531 . . 43 LEU HB2 . 19049 1 511 . 1 1 43 43 LEU HB3 H 1 1.40 0.02 . 2 . 532 . . 43 LEU HB3 . 19049 1 512 . 1 1 43 43 LEU HG H 1 1.84 0.02 . 1 . 534 . . 43 LEU HG . 19049 1 513 . 1 1 43 43 LEU C C 13 177.59 0.10 . 1 . 539 . . 43 LEU C . 19049 1 514 . 1 1 43 43 LEU CA C 13 54.92 0.10 . 1 . 528 . . 43 LEU CA . 19049 1 515 . 1 1 43 43 LEU CB C 13 43.24 0.10 . 1 . 530 . . 43 LEU CB . 19049 1 516 . 1 1 43 43 LEU CG C 13 27.19 0.10 . 1 . 533 . . 43 LEU CG . 19049 1 517 . 1 1 43 43 LEU CD1 C 13 25.85 0.10 . 2 . 537 . . 43 LEU CD1 . 19049 1 518 . 1 1 43 43 LEU CD2 C 13 22.84 0.10 . 2 . 538 . . 43 LEU CD2 . 19049 1 519 . 1 1 43 43 LEU N N 15 114.47 0.10 . 1 . 526 . . 43 LEU N . 19049 1 520 . 1 1 44 44 GLY H H 1 7.92 0.02 . 1 . 541 . . 44 GLY H . 19049 1 521 . 1 1 44 44 GLY HA3 H 1 3.97 0.02 . 1 . 543 . . 44 GLY HA3 . 19049 1 522 . 1 1 44 44 GLY C C 13 174.75 0.10 . 1 . 545 . . 44 GLY C . 19049 1 523 . 1 1 44 44 GLY CA C 13 46.67 0.10 . 1 . 542 . . 44 GLY CA . 19049 1 524 . 1 1 44 44 GLY N N 15 109.88 0.10 . 1 . 540 . . 44 GLY N . 19049 1 525 . 1 1 45 45 LEU H H 1 7.80 0.02 . 1 . 547 . . 45 LEU H . 19049 1 526 . 1 1 45 45 LEU HA H 1 4.73 0.02 . 1 . 549 . . 45 LEU HA . 19049 1 527 . 1 1 45 45 LEU HB2 H 1 1.20 0.02 . 2 . 551 . . 45 LEU HB2 . 19049 1 528 . 1 1 45 45 LEU HB3 H 1 1.49 0.02 . 2 . 552 . . 45 LEU HB3 . 19049 1 529 . 1 1 45 45 LEU HG H 1 1.39 0.02 . 1 . 554 . . 45 LEU HG . 19049 1 530 . 1 1 45 45 LEU C C 13 175.50 0.10 . 1 . 559 . . 45 LEU C . 19049 1 531 . 1 1 45 45 LEU CA C 13 52.36 0.10 . 1 . 548 . . 45 LEU CA . 19049 1 532 . 1 1 45 45 LEU CB C 13 46.77 0.10 . 1 . 550 . . 45 LEU CB . 19049 1 533 . 1 1 45 45 LEU CG C 13 26.44 0.10 . 1 . 553 . . 45 LEU CG . 19049 1 534 . 1 1 45 45 LEU CD1 C 13 26.10 0.10 . 2 . 557 . . 45 LEU CD1 . 19049 1 535 . 1 1 45 45 LEU CD2 C 13 23.26 0.10 . 2 . 558 . . 45 LEU CD2 . 19049 1 536 . 1 1 45 45 LEU N N 15 119.25 0.10 . 1 . 546 . . 45 LEU N . 19049 1 537 . 1 1 46 46 ASN H H 1 8.60 0.02 . 1 . 561 . . 46 ASN H . 19049 1 538 . 1 1 46 46 ASN HA H 1 4.91 0.02 . 1 . 563 . . 46 ASN HA . 19049 1 539 . 1 1 46 46 ASN HB2 H 1 2.93 0.02 . 2 . 565 . . 46 ASN HB2 . 19049 1 540 . 1 1 46 46 ASN HB3 H 1 2.79 0.02 . 2 . 566 . . 46 ASN HB3 . 19049 1 541 . 1 1 46 46 ASN HD21 H 1 7.71 0.02 . 1 . 569 . . 46 ASN HD21 . 19049 1 542 . 1 1 46 46 ASN HD22 H 1 7.13 0.02 . 1 . 570 . . 46 ASN HD22 . 19049 1 543 . 1 1 46 46 ASN C C 13 177.42 0.10 . 1 . 571 . . 46 ASN C . 19049 1 544 . 1 1 46 46 ASN CA C 13 52.48 0.10 . 1 . 562 . . 46 ASN CA . 19049 1 545 . 1 1 46 46 ASN CB C 13 40.03 0.10 . 1 . 564 . . 46 ASN CB . 19049 1 546 . 1 1 46 46 ASN CG C 13 176.61 0.10 . 1 . 567 . . 46 ASN CG . 19049 1 547 . 1 1 46 46 ASN N N 15 117.18 0.10 . 1 . 560 . . 46 ASN N . 19049 1 548 . 1 1 46 46 ASN ND2 N 15 114.05 0.10 . 1 . 568 . . 46 ASN ND2 . 19049 1 549 . 1 1 47 47 GLU H H 1 9.23 0.02 . 1 . 573 . . 47 GLU H . 19049 1 550 . 1 1 47 47 GLU HA H 1 3.70 0.02 . 1 . 575 . . 47 GLU HA . 19049 1 551 . 1 1 47 47 GLU HB2 H 1 2.06 0.02 . 1 . 577 . . 47 GLU HB2 . 19049 1 552 . 1 1 47 47 GLU HB3 H 1 2.06 0.02 . 1 . 578 . . 47 GLU HB3 . 19049 1 553 . 1 1 47 47 GLU HG2 H 1 2.35 0.02 . 2 . 580 . . 47 GLU HG2 . 19049 1 554 . 1 1 47 47 GLU HG3 H 1 2.26 0.02 . 2 . 581 . . 47 GLU HG3 . 19049 1 555 . 1 1 47 47 GLU C C 13 178.40 0.10 . 1 . 583 . . 47 GLU C . 19049 1 556 . 1 1 47 47 GLU CA C 13 60.97 0.10 . 1 . 574 . . 47 GLU CA . 19049 1 557 . 1 1 47 47 GLU CB C 13 28.86 0.10 . 1 . 576 . . 47 GLU CB . 19049 1 558 . 1 1 47 47 GLU CG C 13 36.43 0.10 . 1 . 579 . . 47 GLU CG . 19049 1 559 . 1 1 47 47 GLU CD C 13 183.67 0.10 . 1 . 582 . . 47 GLU CD . 19049 1 560 . 1 1 47 47 GLU N N 15 122.72 0.10 . 1 . 572 . . 47 GLU N . 19049 1 561 . 1 1 48 48 SER H H 1 8.69 0.02 . 1 . 585 . . 48 SER H . 19049 1 562 . 1 1 48 48 SER HA H 1 4.13 0.02 . 1 . 587 . . 48 SER HA . 19049 1 563 . 1 1 48 48 SER HB2 H 1 3.95 0.02 . 1 . 589 . . 48 SER HB2 . 19049 1 564 . 1 1 48 48 SER HB3 H 1 3.95 0.02 . 1 . 590 . . 48 SER HB3 . 19049 1 565 . 1 1 48 48 SER C C 13 176.62 0.10 . 1 . 591 . . 48 SER C . 19049 1 566 . 1 1 48 48 SER CA C 13 61.74 0.10 . 1 . 586 . . 48 SER CA . 19049 1 567 . 1 1 48 48 SER CB C 13 62.34 0.10 . 1 . 588 . . 48 SER CB . 19049 1 568 . 1 1 48 48 SER N N 15 115.62 0.10 . 1 . 584 . . 48 SER N . 19049 1 569 . 1 1 49 49 GLN H H 1 7.88 0.02 . 1 . 593 . . 49 GLN H . 19049 1 570 . 1 1 49 49 GLN HA H 1 4.18 0.02 . 1 . 595 . . 49 GLN HA . 19049 1 571 . 1 1 49 49 GLN HB2 H 1 2.49 0.02 . 2 . 597 . . 49 GLN HB2 . 19049 1 572 . 1 1 49 49 GLN HB3 H 1 2.17 0.02 . 2 . 598 . . 49 GLN HB3 . 19049 1 573 . 1 1 49 49 GLN HG2 H 1 2.49 0.02 . 1 . 600 . . 49 GLN HG2 . 19049 1 574 . 1 1 49 49 GLN HG3 H 1 2.49 0.02 . 1 . 601 . . 49 GLN HG3 . 19049 1 575 . 1 1 49 49 GLN HE21 H 1 7.38 0.02 . 1 . 604 . . 49 GLN HE21 . 19049 1 576 . 1 1 49 49 GLN HE22 H 1 6.90 0.02 . 1 . 605 . . 49 GLN HE22 . 19049 1 577 . 1 1 49 49 GLN C C 13 179.44 0.10 . 1 . 606 . . 49 GLN C . 19049 1 578 . 1 1 49 49 GLN CA C 13 58.93 0.10 . 1 . 594 . . 49 GLN CA . 19049 1 579 . 1 1 49 49 GLN CB C 13 29.80 0.10 . 1 . 596 . . 49 GLN CB . 19049 1 580 . 1 1 49 49 GLN CG C 13 35.38 0.10 . 1 . 599 . . 49 GLN CG . 19049 1 581 . 1 1 49 49 GLN CD C 13 179.29 0.10 . 1 . 602 . . 49 GLN CD . 19049 1 582 . 1 1 49 49 GLN N N 15 119.98 0.10 . 1 . 592 . . 49 GLN N . 19049 1 583 . 1 1 49 49 GLN NE2 N 15 112.22 0.10 . 1 . 603 . . 49 GLN NE2 . 19049 1 584 . 1 1 50 50 ILE H H 1 7.46 0.02 . 1 . 608 . . 50 ILE H . 19049 1 585 . 1 1 50 50 ILE HA H 1 3.80 0.02 . 1 . 610 . . 50 ILE HA . 19049 1 586 . 1 1 50 50 ILE HB H 1 2.01 0.02 . 1 . 612 . . 50 ILE HB . 19049 1 587 . 1 1 50 50 ILE HG12 H 1 1.74 0.02 . 2 . 616 . . 50 ILE HG12 . 19049 1 588 . 1 1 50 50 ILE HG13 H 1 1.28 0.02 . 2 . 617 . . 50 ILE HG13 . 19049 1 589 . 1 1 50 50 ILE C C 13 177.13 0.10 . 1 . 620 . . 50 ILE C . 19049 1 590 . 1 1 50 50 ILE CA C 13 64.94 0.10 . 1 . 609 . . 50 ILE CA . 19049 1 591 . 1 1 50 50 ILE CB C 13 37.73 0.10 . 1 . 611 . . 50 ILE CB . 19049 1 592 . 1 1 50 50 ILE CG1 C 13 29.65 0.10 . 1 . 615 . . 50 ILE CG1 . 19049 1 593 . 1 1 50 50 ILE CG2 C 13 17.55 0.10 . 1 . 614 . . 50 ILE CG2 . 19049 1 594 . 1 1 50 50 ILE CD1 C 13 12.84 0.10 . 1 . 619 . . 50 ILE CD1 . 19049 1 595 . 1 1 50 50 ILE N N 15 118.47 0.10 . 1 . 607 . . 50 ILE N . 19049 1 596 . 1 1 51 51 LYS H H 1 8.21 0.02 . 1 . 622 . . 51 LYS H . 19049 1 597 . 1 1 51 51 LYS HA H 1 4.12 0.02 . 1 . 624 . . 51 LYS HA . 19049 1 598 . 1 1 51 51 LYS HB2 H 1 2.05 0.02 . 2 . 626 . . 51 LYS HB2 . 19049 1 599 . 1 1 51 51 LYS HB3 H 1 1.82 0.02 . 2 . 627 . . 51 LYS HB3 . 19049 1 600 . 1 1 51 51 LYS HG2 H 1 1.56 0.02 . 1 . 629 . . 51 LYS HG2 . 19049 1 601 . 1 1 51 51 LYS HG3 H 1 1.56 0.02 . 1 . 630 . . 51 LYS HG3 . 19049 1 602 . 1 1 51 51 LYS HD2 H 1 1.55 0.02 . 1 . 632 . . 51 LYS HD2 . 19049 1 603 . 1 1 51 51 LYS HD3 H 1 1.55 0.02 . 1 . 633 . . 51 LYS HD3 . 19049 1 604 . 1 1 51 51 LYS HE2 H 1 2.88 0.02 . 1 . 635 . . 51 LYS HE2 . 19049 1 605 . 1 1 51 51 LYS HE3 H 1 2.88 0.02 . 1 . 636 . . 51 LYS HE3 . 19049 1 606 . 1 1 51 51 LYS C C 13 179.51 0.10 . 1 . 637 . . 51 LYS C . 19049 1 607 . 1 1 51 51 LYS CA C 13 60.26 0.10 . 1 . 623 . . 51 LYS CA . 19049 1 608 . 1 1 51 51 LYS CB C 13 33.09 0.10 . 1 . 625 . . 51 LYS CB . 19049 1 609 . 1 1 51 51 LYS CG C 13 25.14 0.10 . 1 . 628 . . 51 LYS CG . 19049 1 610 . 1 1 51 51 LYS CD C 13 28.84 0.10 . 1 . 631 . . 51 LYS CD . 19049 1 611 . 1 1 51 51 LYS CE C 13 42.16 0.10 . 1 . 634 . . 51 LYS CE . 19049 1 612 . 1 1 51 51 LYS N N 15 119.93 0.10 . 1 . 621 . . 51 LYS N . 19049 1 613 . 1 1 52 52 ILE H H 1 8.20 0.02 . 1 . 639 . . 52 ILE H . 19049 1 614 . 1 1 52 52 ILE HA H 1 3.83 0.02 . 1 . 641 . . 52 ILE HA . 19049 1 615 . 1 1 52 52 ILE HB H 1 1.96 0.02 . 1 . 643 . . 52 ILE HB . 19049 1 616 . 1 1 52 52 ILE HG12 H 1 1.64 0.02 . 2 . 647 . . 52 ILE HG12 . 19049 1 617 . 1 1 52 52 ILE HG13 H 1 1.06 0.02 . 2 . 648 . . 52 ILE HG13 . 19049 1 618 . 1 1 52 52 ILE C C 13 177.56 0.10 . 1 . 651 . . 52 ILE C . 19049 1 619 . 1 1 52 52 ILE CA C 13 64.41 0.10 . 1 . 640 . . 52 ILE CA . 19049 1 620 . 1 1 52 52 ILE CB C 13 38.27 0.10 . 1 . 642 . . 52 ILE CB . 19049 1 621 . 1 1 52 52 ILE CG1 C 13 28.73 0.10 . 1 . 646 . . 52 ILE CG1 . 19049 1 622 . 1 1 52 52 ILE CG2 C 13 18.64 0.10 . 1 . 645 . . 52 ILE CG2 . 19049 1 623 . 1 1 52 52 ILE CD1 C 13 12.98 0.10 . 1 . 650 . . 52 ILE CD1 . 19049 1 624 . 1 1 52 52 ILE N N 15 118.88 0.10 . 1 . 638 . . 52 ILE N . 19049 1 625 . 1 1 53 53 TRP H H 1 8.10 0.02 . 1 . 653 . . 53 TRP H . 19049 1 626 . 1 1 53 53 TRP HA H 1 4.07 0.02 . 1 . 655 . . 53 TRP HA . 19049 1 627 . 1 1 53 53 TRP HB2 H 1 3.54 0.02 . 2 . 657 . . 53 TRP HB2 . 19049 1 628 . 1 1 53 53 TRP HB3 H 1 3.42 0.02 . 2 . 658 . . 53 TRP HB3 . 19049 1 629 . 1 1 53 53 TRP HD1 H 1 7.04 0.02 . 1 . 662 . . 53 TRP HD1 . 19049 1 630 . 1 1 53 53 TRP HE1 H 1 9.57 0.02 . 1 . 666 . . 53 TRP HE1 . 19049 1 631 . 1 1 53 53 TRP HE3 H 1 7.06 0.02 . 1 . 663 . . 53 TRP HE3 . 19049 1 632 . 1 1 53 53 TRP HZ2 H 1 7.01 0.02 . 1 . 669 . . 53 TRP HZ2 . 19049 1 633 . 1 1 53 53 TRP HZ3 H 1 5.91 0.02 . 1 . 667 . . 53 TRP HZ3 . 19049 1 634 . 1 1 53 53 TRP HH2 H 1 6.32 0.02 . 1 . 670 . . 53 TRP HH2 . 19049 1 635 . 1 1 53 53 TRP C C 13 179.60 0.10 . 1 . 671 . . 53 TRP C . 19049 1 636 . 1 1 53 53 TRP CA C 13 63.33 0.10 . 1 . 654 . . 53 TRP CA . 19049 1 637 . 1 1 53 53 TRP CB C 13 29.28 0.10 . 1 . 656 . . 53 TRP CB . 19049 1 638 . 1 1 53 53 TRP CD1 C 13 127.44 0.10 . 1 . 659 . . 53 TRP CD1 . 19049 1 639 . 1 1 53 53 TRP CE3 C 13 121.11 0.10 . 1 . 660 . . 53 TRP CE3 . 19049 1 640 . 1 1 53 53 TRP CZ2 C 13 113.59 0.10 . 1 . 665 . . 53 TRP CZ2 . 19049 1 641 . 1 1 53 53 TRP CZ3 C 13 121.06 0.10 . 1 . 664 . . 53 TRP CZ3 . 19049 1 642 . 1 1 53 53 TRP CH2 C 13 122.78 0.10 . 1 . 668 . . 53 TRP CH2 . 19049 1 643 . 1 1 53 53 TRP N N 15 122.07 0.10 . 1 . 652 . . 53 TRP N . 19049 1 644 . 1 1 53 53 TRP NE1 N 15 128.33 0.10 . 1 . 661 . . 53 TRP NE1 . 19049 1 645 . 1 1 54 54 PHE H H 1 8.71 0.02 . 1 . 673 . . 54 PHE H . 19049 1 646 . 1 1 54 54 PHE HA H 1 3.80 0.02 . 1 . 675 . . 54 PHE HA . 19049 1 647 . 1 1 54 54 PHE HB2 H 1 3.56 0.02 . 2 . 677 . . 54 PHE HB2 . 19049 1 648 . 1 1 54 54 PHE HB3 H 1 3.20 0.02 . 2 . 678 . . 54 PHE HB3 . 19049 1 649 . 1 1 54 54 PHE HD1 H 1 7.79 0.02 . 3 . 685 . . 54 PHE HD1 . 19049 1 650 . 1 1 54 54 PHE HD2 H 1 7.79 0.02 . 3 . 686 . . 54 PHE HD2 . 19049 1 651 . 1 1 54 54 PHE HE1 H 1 7.46 0.02 . 3 . 687 . . 54 PHE HE1 . 19049 1 652 . 1 1 54 54 PHE HE2 H 1 7.46 0.02 . 3 . 688 . . 54 PHE HE2 . 19049 1 653 . 1 1 54 54 PHE HZ H 1 7.17 0.02 . 1 . 684 . . 54 PHE HZ . 19049 1 654 . 1 1 54 54 PHE C C 13 178.27 0.10 . 1 . 689 . . 54 PHE C . 19049 1 655 . 1 1 54 54 PHE CA C 13 63.00 0.10 . 1 . 674 . . 54 PHE CA . 19049 1 656 . 1 1 54 54 PHE CB C 13 39.53 0.10 . 1 . 676 . . 54 PHE CB . 19049 1 657 . 1 1 54 54 PHE CD1 C 13 132.31 0.10 . 3 . 679 . . 54 PHE CD1 . 19049 1 658 . 1 1 54 54 PHE CD2 C 13 132.31 0.10 . 3 . 680 . . 54 PHE CD2 . 19049 1 659 . 1 1 54 54 PHE CE1 C 13 131.84 0.10 . 3 . 681 . . 54 PHE CE1 . 19049 1 660 . 1 1 54 54 PHE CE2 C 13 131.84 0.10 . 3 . 682 . . 54 PHE CE2 . 19049 1 661 . 1 1 54 54 PHE CZ C 13 129.25 0.10 . 1 . 683 . . 54 PHE CZ . 19049 1 662 . 1 1 54 54 PHE N N 15 117.81 0.10 . 1 . 672 . . 54 PHE N . 19049 1 663 . 1 1 55 55 GLN H H 1 8.37 0.02 . 1 . 691 . . 55 GLN H . 19049 1 664 . 1 1 55 55 GLN HA H 1 3.98 0.02 . 1 . 693 . . 55 GLN HA . 19049 1 665 . 1 1 55 55 GLN HB2 H 1 2.26 0.02 . 1 . 695 . . 55 GLN HB2 . 19049 1 666 . 1 1 55 55 GLN HB3 H 1 2.26 0.02 . 1 . 696 . . 55 GLN HB3 . 19049 1 667 . 1 1 55 55 GLN HG2 H 1 2.48 0.02 . 1 . 698 . . 55 GLN HG2 . 19049 1 668 . 1 1 55 55 GLN HG3 H 1 2.48 0.02 . 1 . 699 . . 55 GLN HG3 . 19049 1 669 . 1 1 55 55 GLN HE21 H 1 7.55 0.02 . 1 . 702 . . 55 GLN HE21 . 19049 1 670 . 1 1 55 55 GLN HE22 H 1 6.91 0.02 . 1 . 703 . . 55 GLN HE22 . 19049 1 671 . 1 1 55 55 GLN C C 13 179.18 0.10 . 1 . 704 . . 55 GLN C . 19049 1 672 . 1 1 55 55 GLN CA C 13 59.14 0.10 . 1 . 692 . . 55 GLN CA . 19049 1 673 . 1 1 55 55 GLN CB C 13 28.68 0.10 . 1 . 694 . . 55 GLN CB . 19049 1 674 . 1 1 55 55 GLN CG C 13 33.67 0.10 . 1 . 697 . . 55 GLN CG . 19049 1 675 . 1 1 55 55 GLN CD C 13 180.76 0.10 . 1 . 700 . . 55 GLN CD . 19049 1 676 . 1 1 55 55 GLN N N 15 118.49 0.10 . 1 . 690 . . 55 GLN N . 19049 1 677 . 1 1 55 55 GLN NE2 N 15 111.10 0.10 . 1 . 701 . . 55 GLN NE2 . 19049 1 678 . 1 1 56 56 ASN H H 1 8.47 0.02 . 1 . 706 . . 56 ASN H . 19049 1 679 . 1 1 56 56 ASN HA H 1 4.34 0.02 . 1 . 708 . . 56 ASN HA . 19049 1 680 . 1 1 56 56 ASN HB2 H 1 2.73 0.02 . 2 . 710 . . 56 ASN HB2 . 19049 1 681 . 1 1 56 56 ASN HB3 H 1 2.52 0.02 . 2 . 711 . . 56 ASN HB3 . 19049 1 682 . 1 1 56 56 ASN HD21 H 1 7.50 0.02 . 1 . 714 . . 56 ASN HD21 . 19049 1 683 . 1 1 56 56 ASN HD22 H 1 6.86 0.02 . 1 . 715 . . 56 ASN HD22 . 19049 1 684 . 1 1 56 56 ASN C C 13 177.62 0.10 . 1 . 716 . . 56 ASN C . 19049 1 685 . 1 1 56 56 ASN CA C 13 55.43 0.10 . 1 . 707 . . 56 ASN CA . 19049 1 686 . 1 1 56 56 ASN CB C 13 37.84 0.10 . 1 . 709 . . 56 ASN CB . 19049 1 687 . 1 1 56 56 ASN CG C 13 176.15 0.10 . 1 . 712 . . 56 ASN CG . 19049 1 688 . 1 1 56 56 ASN N N 15 118.64 0.10 . 1 . 705 . . 56 ASN N . 19049 1 689 . 1 1 56 56 ASN ND2 N 15 111.88 0.10 . 1 . 713 . . 56 ASN ND2 . 19049 1 690 . 1 1 57 57 LYS H H 1 7.71 0.02 . 1 . 718 . . 57 LYS H . 19049 1 691 . 1 1 57 57 LYS HA H 1 3.49 0.02 . 1 . 720 . . 57 LYS HA . 19049 1 692 . 1 1 57 57 LYS HB2 H 1 0.61 0.02 . 2 . 722 . . 57 LYS HB2 . 19049 1 693 . 1 1 57 57 LYS HB3 H 1 0.37 0.02 . 2 . 723 . . 57 LYS HB3 . 19049 1 694 . 1 1 57 57 LYS HG2 H 1 -0.24 0.02 . 2 . 725 . . 57 LYS HG2 . 19049 1 695 . 1 1 57 57 LYS HG3 H 1 -0.37 0.02 . 2 . 726 . . 57 LYS HG3 . 19049 1 696 . 1 1 57 57 LYS HD2 H 1 0.71 0.02 . 2 . 728 . . 57 LYS HD2 . 19049 1 697 . 1 1 57 57 LYS HD3 H 1 0.38 0.02 . 2 . 729 . . 57 LYS HD3 . 19049 1 698 . 1 1 57 57 LYS HE2 H 1 2.12 0.02 . 1 . 731 . . 57 LYS HE2 . 19049 1 699 . 1 1 57 57 LYS HE3 H 1 2.12 0.02 . 1 . 732 . . 57 LYS HE3 . 19049 1 700 . 1 1 57 57 LYS C C 13 179.11 0.10 . 1 . 733 . . 57 LYS C . 19049 1 701 . 1 1 57 57 LYS CA C 13 57.33 0.10 . 1 . 719 . . 57 LYS CA . 19049 1 702 . 1 1 57 57 LYS CB C 13 30.77 0.10 . 1 . 721 . . 57 LYS CB . 19049 1 703 . 1 1 57 57 LYS CG C 13 22.37 0.10 . 1 . 724 . . 57 LYS CG . 19049 1 704 . 1 1 57 57 LYS CD C 13 27.29 0.10 . 1 . 727 . . 57 LYS CD . 19049 1 705 . 1 1 57 57 LYS CE C 13 41.78 0.10 . 1 . 730 . . 57 LYS CE . 19049 1 706 . 1 1 57 57 LYS N N 15 120.96 0.10 . 1 . 717 . . 57 LYS N . 19049 1 707 . 1 1 58 58 ARG H H 1 8.00 0.02 . 1 . 735 . . 58 ARG H . 19049 1 708 . 1 1 58 58 ARG HA H 1 4.06 0.02 . 1 . 737 . . 58 ARG HA . 19049 1 709 . 1 1 58 58 ARG HB2 H 1 2.04 0.02 . 2 . 739 . . 58 ARG HB2 . 19049 1 710 . 1 1 58 58 ARG HB3 H 1 1.81 0.02 . 2 . 740 . . 58 ARG HB3 . 19049 1 711 . 1 1 58 58 ARG HG2 H 1 1.43 0.02 . 1 . 742 . . 58 ARG HG2 . 19049 1 712 . 1 1 58 58 ARG HG3 H 1 1.43 0.02 . 1 . 743 . . 58 ARG HG3 . 19049 1 713 . 1 1 58 58 ARG HD2 H 1 2.93 0.02 . 2 . 745 . . 58 ARG HD2 . 19049 1 714 . 1 1 58 58 ARG HD3 H 1 2.87 0.02 . 2 . 746 . . 58 ARG HD3 . 19049 1 715 . 1 1 58 58 ARG HE H 1 7.55 0.02 . 1 . 748 . . 58 ARG HE . 19049 1 716 . 1 1 58 58 ARG C C 13 178.27 0.10 . 1 . 750 . . 58 ARG C . 19049 1 717 . 1 1 58 58 ARG CA C 13 59.63 0.10 . 1 . 736 . . 58 ARG CA . 19049 1 718 . 1 1 58 58 ARG CB C 13 31.25 0.10 . 1 . 738 . . 58 ARG CB . 19049 1 719 . 1 1 58 58 ARG CG C 13 29.05 0.10 . 1 . 741 . . 58 ARG CG . 19049 1 720 . 1 1 58 58 ARG CD C 13 42.07 0.10 . 1 . 744 . . 58 ARG CD . 19049 1 721 . 1 1 58 58 ARG CZ C 13 159.48 0.10 . 1 . 749 . . 58 ARG CZ . 19049 1 722 . 1 1 58 58 ARG N N 15 118.19 0.10 . 1 . 734 . . 58 ARG N . 19049 1 723 . 1 1 58 58 ARG NE N 15 83.99 0.10 . 1 . 747 . . 58 ARG NE . 19049 1 724 . 1 1 59 59 ALA H H 1 7.71 0.02 . 1 . 752 . . 59 ALA H . 19049 1 725 . 1 1 59 59 ALA HA H 1 4.16 0.02 . 1 . 754 . . 59 ALA HA . 19049 1 726 . 1 1 59 59 ALA C C 13 178.83 0.10 . 1 . 757 . . 59 ALA C . 19049 1 727 . 1 1 59 59 ALA CA C 13 53.91 0.10 . 1 . 753 . . 59 ALA CA . 19049 1 728 . 1 1 59 59 ALA CB C 13 18.57 0.10 . 1 . 756 . . 59 ALA CB . 19049 1 729 . 1 1 59 59 ALA N N 15 121.38 0.10 . 1 . 751 . . 59 ALA N . 19049 1 730 . 1 1 60 60 LYS H H 1 7.74 0.02 . 1 . 759 . . 60 LYS H . 19049 1 731 . 1 1 60 60 LYS HA H 1 4.12 0.02 . 1 . 761 . . 60 LYS HA . 19049 1 732 . 1 1 60 60 LYS HB2 H 1 1.76 0.02 . 1 . 763 . . 60 LYS HB2 . 19049 1 733 . 1 1 60 60 LYS HB3 H 1 1.76 0.02 . 1 . 764 . . 60 LYS HB3 . 19049 1 734 . 1 1 60 60 LYS HG2 H 1 1.38 0.02 . 1 . 766 . . 60 LYS HG2 . 19049 1 735 . 1 1 60 60 LYS HG3 H 1 1.38 0.02 . 1 . 767 . . 60 LYS HG3 . 19049 1 736 . 1 1 60 60 LYS HD2 H 1 1.37 0.02 . 1 . 769 . . 60 LYS HD2 . 19049 1 737 . 1 1 60 60 LYS HD3 H 1 1.37 0.02 . 1 . 770 . . 60 LYS HD3 . 19049 1 738 . 1 1 60 60 LYS HE2 H 1 2.93 0.02 . 1 . 772 . . 60 LYS HE2 . 19049 1 739 . 1 1 60 60 LYS HE3 H 1 2.93 0.02 . 1 . 773 . . 60 LYS HE3 . 19049 1 740 . 1 1 60 60 LYS C C 13 177.57 0.10 . 1 . 774 . . 60 LYS C . 19049 1 741 . 1 1 60 60 LYS CA C 13 57.06 0.10 . 1 . 760 . . 60 LYS CA . 19049 1 742 . 1 1 60 60 LYS CB C 13 33.04 0.10 . 1 . 762 . . 60 LYS CB . 19049 1 743 . 1 1 60 60 LYS CG C 13 24.77 0.10 . 1 . 765 . . 60 LYS CG . 19049 1 744 . 1 1 60 60 LYS CD C 13 28.93 0.10 . 1 . 768 . . 60 LYS CD . 19049 1 745 . 1 1 60 60 LYS CE C 13 42.15 0.10 . 1 . 771 . . 60 LYS CE . 19049 1 746 . 1 1 60 60 LYS N N 15 118.39 0.10 . 1 . 758 . . 60 LYS N . 19049 1 747 . 1 1 61 61 ILE H H 1 7.77 0.02 . 1 . 776 . . 61 ILE H . 19049 1 748 . 1 1 61 61 ILE HA H 1 4.03 0.02 . 1 . 778 . . 61 ILE HA . 19049 1 749 . 1 1 61 61 ILE HB H 1 1.92 0.02 . 1 . 780 . . 61 ILE HB . 19049 1 750 . 1 1 61 61 ILE HG12 H 1 1.53 0.02 . 1 . 784 . . 61 ILE HG12 . 19049 1 751 . 1 1 61 61 ILE HG13 H 1 1.25 0.02 . 1 . 785 . . 61 ILE HG13 . 19049 1 752 . 1 1 61 61 ILE C C 13 176.69 0.10 . 1 . 788 . . 61 ILE C . 19049 1 753 . 1 1 61 61 ILE CA C 13 61.93 0.10 . 1 . 777 . . 61 ILE CA . 19049 1 754 . 1 1 61 61 ILE CB C 13 38.28 0.10 . 1 . 779 . . 61 ILE CB . 19049 1 755 . 1 1 61 61 ILE CG1 C 13 27.70 0.10 . 1 . 783 . . 61 ILE CG1 . 19049 1 756 . 1 1 61 61 ILE CG2 C 13 17.46 0.10 . 1 . 782 . . 61 ILE CG2 . 19049 1 757 . 1 1 61 61 ILE CD1 C 13 13.16 0.10 . 1 . 787 . . 61 ILE CD1 . 19049 1 758 . 1 1 61 61 ILE N N 15 120.53 0.10 . 1 . 775 . . 61 ILE N . 19049 1 759 . 1 1 62 62 LYS H H 1 8.19 0.02 . 1 . 790 . . 62 LYS H . 19049 1 760 . 1 1 62 62 LYS HA H 1 4.24 0.02 . 1 . 792 . . 62 LYS HA . 19049 1 761 . 1 1 62 62 LYS HB2 H 1 1.86 0.02 . 1 . 794 . . 62 LYS HB2 . 19049 1 762 . 1 1 62 62 LYS HB3 H 1 1.86 0.02 . 1 . 795 . . 62 LYS HB3 . 19049 1 763 . 1 1 62 62 LYS HG2 H 1 1.44 0.02 . 1 . 797 . . 62 LYS HG2 . 19049 1 764 . 1 1 62 62 LYS HG3 H 1 1.44 0.02 . 1 . 798 . . 62 LYS HG3 . 19049 1 765 . 1 1 62 62 LYS HD2 H 1 1.69 0.02 . 1 . 800 . . 62 LYS HD2 . 19049 1 766 . 1 1 62 62 LYS HD3 H 1 1.69 0.02 . 1 . 801 . . 62 LYS HD3 . 19049 1 767 . 1 1 62 62 LYS HE2 H 1 3.27 0.02 . 1 . 803 . . 62 LYS HE2 . 19049 1 768 . 1 1 62 62 LYS HE3 H 1 3.27 0.02 . 1 . 804 . . 62 LYS HE3 . 19049 1 769 . 1 1 62 62 LYS C C 13 176.90 0.10 . 1 . 805 . . 62 LYS C . 19049 1 770 . 1 1 62 62 LYS CA C 13 56.58 0.10 . 1 . 791 . . 62 LYS CA . 19049 1 771 . 1 1 62 62 LYS CB C 13 32.89 0.10 . 1 . 793 . . 62 LYS CB . 19049 1 772 . 1 1 62 62 LYS CG C 13 25.62 0.10 . 1 . 796 . . 62 LYS CG . 19049 1 773 . 1 1 62 62 LYS CD C 13 27.67 0.10 . 1 . 799 . . 62 LYS CD . 19049 1 774 . 1 1 62 62 LYS CE C 13 43.26 0.10 . 1 . 802 . . 62 LYS CE . 19049 1 775 . 1 1 62 62 LYS N N 15 125.17 0.10 . 1 . 789 . . 62 LYS N . 19049 1 776 . 1 1 63 63 LYS H H 1 8.22 0.02 . 1 . 807 . . 63 LYS H . 19049 1 777 . 1 1 63 63 LYS HA H 1 4.23 0.02 . 1 . 809 . . 63 LYS HA . 19049 1 778 . 1 1 63 63 LYS HB2 H 1 1.84 0.02 . 1 . 811 . . 63 LYS HB2 . 19049 1 779 . 1 1 63 63 LYS HB3 H 1 1.84 0.02 . 1 . 812 . . 63 LYS HB3 . 19049 1 780 . 1 1 63 63 LYS HG2 H 1 1.44 0.02 . 1 . 814 . . 63 LYS HG2 . 19049 1 781 . 1 1 63 63 LYS HG3 H 1 1.44 0.02 . 1 . 815 . . 63 LYS HG3 . 19049 1 782 . 1 1 63 63 LYS HD2 H 1 1.66 0.02 . 1 . 817 . . 63 LYS HD2 . 19049 1 783 . 1 1 63 63 LYS HD3 H 1 1.66 0.02 . 1 . 818 . . 63 LYS HD3 . 19049 1 784 . 1 1 63 63 LYS HE2 H 1 3.00 0.02 . 1 . 820 . . 63 LYS HE2 . 19049 1 785 . 1 1 63 63 LYS HE3 H 1 3.00 0.02 . 1 . 821 . . 63 LYS HE3 . 19049 1 786 . 1 1 63 63 LYS C C 13 176.62 0.10 . 1 . 822 . . 63 LYS C . 19049 1 787 . 1 1 63 63 LYS CA C 13 56.89 0.10 . 1 . 808 . . 63 LYS CA . 19049 1 788 . 1 1 63 63 LYS CB C 13 32.81 0.10 . 1 . 810 . . 63 LYS CB . 19049 1 789 . 1 1 63 63 LYS CG C 13 24.79 0.10 . 1 . 813 . . 63 LYS CG . 19049 1 790 . 1 1 63 63 LYS CD C 13 28.93 0.10 . 1 . 816 . . 63 LYS CD . 19049 1 791 . 1 1 63 63 LYS CE C 13 42.18 0.10 . 1 . 819 . . 63 LYS CE . 19049 1 792 . 1 1 63 63 LYS N N 15 122.66 0.10 . 1 . 806 . . 63 LYS N . 19049 1 793 . 1 1 64 64 ALA H H 1 8.34 0.02 . 1 . 824 . . 64 ALA H . 19049 1 794 . 1 1 64 64 ALA HA H 1 4.33 0.02 . 1 . 826 . . 64 ALA HA . 19049 1 795 . 1 1 64 64 ALA C C 13 178.10 0.10 . 1 . 829 . . 64 ALA C . 19049 1 796 . 1 1 64 64 ALA CA C 13 52.82 0.10 . 1 . 825 . . 64 ALA CA . 19049 1 797 . 1 1 64 64 ALA CB C 13 19.23 0.10 . 1 . 828 . . 64 ALA CB . 19049 1 798 . 1 1 64 64 ALA N N 15 125.22 0.10 . 1 . 823 . . 64 ALA N . 19049 1 799 . 1 1 65 65 THR H H 1 8.03 0.02 . 1 . 831 . . 65 THR H . 19049 1 800 . 1 1 65 65 THR HA H 1 4.29 0.02 . 1 . 833 . . 65 THR HA . 19049 1 801 . 1 1 65 65 THR HB H 1 4.21 0.02 . 1 . 835 . . 65 THR HB . 19049 1 802 . 1 1 65 65 THR C C 13 174.49 0.10 . 1 . 838 . . 65 THR C . 19049 1 803 . 1 1 65 65 THR CA C 13 61.93 0.10 . 1 . 832 . . 65 THR CA . 19049 1 804 . 1 1 65 65 THR CB C 13 69.90 0.10 . 1 . 834 . . 65 THR CB . 19049 1 805 . 1 1 65 65 THR CG2 C 13 21.70 0.10 . 1 . 837 . . 65 THR CG2 . 19049 1 806 . 1 1 65 65 THR N N 15 112.54 0.10 . 1 . 830 . . 65 THR N . 19049 1 807 . 1 1 66 66 GLN H H 1 8.27 0.02 . 1 . 840 . . 66 GLN H . 19049 1 808 . 1 1 66 66 GLN HA H 1 4.34 0.02 . 1 . 842 . . 66 GLN HA . 19049 1 809 . 1 1 66 66 GLN HB2 H 1 2.36 0.02 . 1 . 844 . . 66 GLN HB2 . 19049 1 810 . 1 1 66 66 GLN HB3 H 1 1.99 0.02 . 1 . 845 . . 66 GLN HB3 . 19049 1 811 . 1 1 66 66 GLN HG2 H 1 2.35 0.02 . 1 . 847 . . 66 GLN HG2 . 19049 1 812 . 1 1 66 66 GLN HG3 H 1 2.35 0.02 . 1 . 848 . . 66 GLN HG3 . 19049 1 813 . 1 1 66 66 GLN HE21 H 1 7.60 0.02 . 1 . 851 . . 66 GLN HE21 . 19049 1 814 . 1 1 66 66 GLN HE22 H 1 6.84 0.02 . 1 . 852 . . 66 GLN HE22 . 19049 1 815 . 1 1 66 66 GLN C C 13 174.65 0.10 . 1 . 853 . . 66 GLN C . 19049 1 816 . 1 1 66 66 GLN CA C 13 55.78 0.10 . 1 . 841 . . 66 GLN CA . 19049 1 817 . 1 1 66 66 GLN CB C 13 29.69 0.10 . 1 . 843 . . 66 GLN CB . 19049 1 818 . 1 1 66 66 GLN CG C 13 33.89 0.10 . 1 . 846 . . 66 GLN CG . 19049 1 819 . 1 1 66 66 GLN CD C 13 180.97 0.10 . 1 . 849 . . 66 GLN CD . 19049 1 820 . 1 1 66 66 GLN N N 15 122.84 0.10 . 1 . 839 . . 66 GLN N . 19049 1 821 . 1 1 66 66 GLN NE2 N 15 112.51 0.10 . 1 . 850 . . 66 GLN NE2 . 19049 1 822 . 1 1 67 67 ALA H H 1 8.04 0.02 . 1 . 855 . . 67 ALA H . 19049 1 823 . 1 1 67 67 ALA HA H 1 4.11 0.02 . 1 . 857 . . 67 ALA HA . 19049 1 824 . 1 1 67 67 ALA C C 13 173.46 0.10 . 1 . 860 . . 67 ALA C . 19049 1 825 . 1 1 67 67 ALA CA C 13 53.81 0.10 . 1 . 856 . . 67 ALA CA . 19049 1 826 . 1 1 67 67 ALA CB C 13 20.12 0.10 . 1 . 859 . . 67 ALA CB . 19049 1 827 . 1 1 67 67 ALA N N 15 131.20 0.10 . 1 . 854 . . 67 ALA N . 19049 1 stop_ save_