data_15330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15330 _Entry.Title ; Caenopore-5 -Pro cis conformer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-26 _Entry.Accession_date 2007-06-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; 1)Proline conformer trans 2)Proline conformer cis ; _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 Justyna Mysliwy . . . 15330 2 Joachim Grotzinger . . . 15330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 15330 '15N chemical shifts' 84 15330 '1H chemical shifts' 529 15330 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 2 . . 2010-02-16 2007-06-26 update BMRB 'complete entry citation' 15330 1 . . 2009-10-12 2007-06-26 original author 'original release' 15330 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15358 'caenopore5 trans monomer' 15330 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15330 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19917307 _Citation.Full_citation . _Citation.Title 'Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Dev. Comp. Immunol.' _Citation.Journal_name_full 'Developmental and comparative immunology' _Citation.Journal_volume 34 _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 323 _Citation.Page_last 330 _Citation.Year 2010 _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 Justyna Mysliwy . . . 15330 1 2 Andrew Dingley . J. . 15330 1 3 Mareike Stanisak . . . 15330 1 4 Sascha Jung . . . 15330 1 5 Inken Lorenzen . . . 15330 1 6 Thomas Roeder . . . 15330 1 7 Matthias Leippe . . . 15330 1 8 Joachim Grotzinger . . . 15330 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID caenopore-5 15330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15330 _Assembly.ID 1 _Assembly.Name 'caenopore5 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'caenopore-5 Pro cis conformer' 1 $caenopore-5 A . yes native yes no . . 'Proline 99 in cis conformation' 15330 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 'caenopore-5 Pro cis conformer' 1 CYS 24 24 SG . 1 'caenopore-5 Pro cis conformer' 1 CYS 98 98 SG . 'caenopore-5 Pro cis conformer' 24 cys SG . 'caenopore-5 Pro cis conformer' 98 cys SG 15330 1 2 disulphide 1 . 1 'caenopore-5 Pro cis conformer' 1 CYS 27 27 SG . 1 'caenopore-5 Pro cis conformer' 1 CYS 92 92 SG . 'caenopore-5 Pro cis conformer' 27 cys SG . 'caenopore-5 Pro cis conformer' 92 cys SG 15330 1 3 disulphide 1 . 1 'caenopore-5 Pro cis conformer' 1 CYS 53 53 SG . 1 'caenopore-5 Pro cis conformer' 1 CYS 67 67 SG . 'caenopore-5 Pro cis conformer' 53 cys SG . 'caenopore-5 Pro cis conformer' 67 cys SG 15330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_caenopore-5 _Entity.Sf_category entity _Entity.Sf_framecode caenopore-5 _Entity.Entry_ID 15330 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name caenopore-5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGSHHHHHHSSGIEGRGRS ALSCQMCELVVKKYEGSADK DANVIKKDFDAECKKLFHTI PFGTRECDHYVNSKVDPIIH ELEGGTAPKDVCTKLNECP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-18 a non-native affinity tag' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15358 . caenopore-5 . . . . . 100.00 99 100.00 100.00 1.42e-65 . . . . 15330 1 2 no PDB 2JS9 . "Structure Of Caenopore-5 (81 Pro Cis Conformer)" . . . . . 100.00 99 100.00 100.00 1.42e-65 . . . . 15330 1 3 no PDB 2JSA . "Solution Structure Of Caenopore-5 (81 Pro Trans Confomer)" . . . . . 100.00 99 100.00 100.00 1.42e-65 . . . . 15330 1 4 no EMBL CCD63522 . "SaPosin-like Protein family [Caenorhabditis elegans]" . . . . . 82.83 103 98.78 98.78 2.64e-52 . . . . 15330 1 5 no REF NP_509238 . "SaPosin-like Protein family [Caenorhabditis elegans]" . . . . . 82.83 103 98.78 98.78 2.64e-52 . . . . 15330 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15330 1 2 . SER . 15330 1 3 . GLY . 15330 1 4 . SER . 15330 1 5 . HIS . 15330 1 6 . HIS . 15330 1 7 . HIS . 15330 1 8 . HIS . 15330 1 9 . HIS . 15330 1 10 . HIS . 15330 1 11 . SER . 15330 1 12 . SER . 15330 1 13 . GLY . 15330 1 14 . ILE . 15330 1 15 . GLU . 15330 1 16 . GLY . 15330 1 17 . ARG . 15330 1 18 . GLY . 15330 1 19 . ARG . 15330 1 20 . SER . 15330 1 21 . ALA . 15330 1 22 . LEU . 15330 1 23 . SER . 15330 1 24 . CYS . 15330 1 25 . GLN . 15330 1 26 . MET . 15330 1 27 . CYS . 15330 1 28 . GLU . 15330 1 29 . LEU . 15330 1 30 . VAL . 15330 1 31 . VAL . 15330 1 32 . LYS . 15330 1 33 . LYS . 15330 1 34 . TYR . 15330 1 35 . GLU . 15330 1 36 . GLY . 15330 1 37 . SER . 15330 1 38 . ALA . 15330 1 39 . ASP . 15330 1 40 . LYS . 15330 1 41 . ASP . 15330 1 42 . ALA . 15330 1 43 . ASN . 15330 1 44 . VAL . 15330 1 45 . ILE . 15330 1 46 . LYS . 15330 1 47 . LYS . 15330 1 48 . ASP . 15330 1 49 . PHE . 15330 1 50 . ASP . 15330 1 51 . ALA . 15330 1 52 . GLU . 15330 1 53 . CYS . 15330 1 54 . LYS . 15330 1 55 . LYS . 15330 1 56 . LEU . 15330 1 57 . PHE . 15330 1 58 . HIS . 15330 1 59 . THR . 15330 1 60 . ILE . 15330 1 61 . PRO . 15330 1 62 . PHE . 15330 1 63 . GLY . 15330 1 64 . THR . 15330 1 65 . ARG . 15330 1 66 . GLU . 15330 1 67 . CYS . 15330 1 68 . ASP . 15330 1 69 . HIS . 15330 1 70 . TYR . 15330 1 71 . VAL . 15330 1 72 . ASN . 15330 1 73 . SER . 15330 1 74 . LYS . 15330 1 75 . VAL . 15330 1 76 . ASP . 15330 1 77 . PRO . 15330 1 78 . ILE . 15330 1 79 . ILE . 15330 1 80 . HIS . 15330 1 81 . GLU . 15330 1 82 . LEU . 15330 1 83 . GLU . 15330 1 84 . GLY . 15330 1 85 . GLY . 15330 1 86 . THR . 15330 1 87 . ALA . 15330 1 88 . PRO . 15330 1 89 . LYS . 15330 1 90 . ASP . 15330 1 91 . VAL . 15330 1 92 . CYS . 15330 1 93 . THR . 15330 1 94 . LYS . 15330 1 95 . LEU . 15330 1 96 . ASN . 15330 1 97 . GLU . 15330 1 98 . CYS . 15330 1 99 . PRO . 15330 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15330 1 . SER 2 2 15330 1 . GLY 3 3 15330 1 . SER 4 4 15330 1 . HIS 5 5 15330 1 . HIS 6 6 15330 1 . HIS 7 7 15330 1 . HIS 8 8 15330 1 . HIS 9 9 15330 1 . HIS 10 10 15330 1 . SER 11 11 15330 1 . SER 12 12 15330 1 . GLY 13 13 15330 1 . ILE 14 14 15330 1 . GLU 15 15 15330 1 . GLY 16 16 15330 1 . ARG 17 17 15330 1 . GLY 18 18 15330 1 . ARG 19 19 15330 1 . SER 20 20 15330 1 . ALA 21 21 15330 1 . LEU 22 22 15330 1 . SER 23 23 15330 1 . CYS 24 24 15330 1 . GLN 25 25 15330 1 . MET 26 26 15330 1 . CYS 27 27 15330 1 . GLU 28 28 15330 1 . LEU 29 29 15330 1 . VAL 30 30 15330 1 . VAL 31 31 15330 1 . LYS 32 32 15330 1 . LYS 33 33 15330 1 . TYR 34 34 15330 1 . GLU 35 35 15330 1 . GLY 36 36 15330 1 . SER 37 37 15330 1 . ALA 38 38 15330 1 . ASP 39 39 15330 1 . LYS 40 40 15330 1 . ASP 41 41 15330 1 . ALA 42 42 15330 1 . ASN 43 43 15330 1 . VAL 44 44 15330 1 . ILE 45 45 15330 1 . LYS 46 46 15330 1 . LYS 47 47 15330 1 . ASP 48 48 15330 1 . PHE 49 49 15330 1 . ASP 50 50 15330 1 . ALA 51 51 15330 1 . GLU 52 52 15330 1 . CYS 53 53 15330 1 . LYS 54 54 15330 1 . LYS 55 55 15330 1 . LEU 56 56 15330 1 . PHE 57 57 15330 1 . HIS 58 58 15330 1 . THR 59 59 15330 1 . ILE 60 60 15330 1 . PRO 61 61 15330 1 . PHE 62 62 15330 1 . GLY 63 63 15330 1 . THR 64 64 15330 1 . ARG 65 65 15330 1 . GLU 66 66 15330 1 . CYS 67 67 15330 1 . ASP 68 68 15330 1 . HIS 69 69 15330 1 . TYR 70 70 15330 1 . VAL 71 71 15330 1 . ASN 72 72 15330 1 . SER 73 73 15330 1 . LYS 74 74 15330 1 . VAL 75 75 15330 1 . ASP 76 76 15330 1 . PRO 77 77 15330 1 . ILE 78 78 15330 1 . ILE 79 79 15330 1 . HIS 80 80 15330 1 . GLU 81 81 15330 1 . LEU 82 82 15330 1 . GLU 83 83 15330 1 . GLY 84 84 15330 1 . GLY 85 85 15330 1 . THR 86 86 15330 1 . ALA 87 87 15330 1 . PRO 88 88 15330 1 . LYS 89 89 15330 1 . ASP 90 90 15330 1 . VAL 91 91 15330 1 . CYS 92 92 15330 1 . THR 93 93 15330 1 . LYS 94 94 15330 1 . LEU 95 95 15330 1 . ASN 96 96 15330 1 . GLU 97 97 15330 1 . CYS 98 98 15330 1 . PRO 99 99 15330 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 15330 _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 $caenopore-5 . 6239 organism . 'Caenorhabditis elegans' . . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 15330 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 15330 _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 $caenopore-5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pIVEX2.4a . . . . . . 15330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15330 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 caenopore-5 '[U-99% 13C; U-99% 15N]' . . 1 $caenopore-5 . . 1-2 . . mM . . . . 15330 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15330 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample1_conditions _Sample_condition_list.Entry_ID 15330 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 15330 1 pH 5.2 . pH 15330 1 pressure 1 . atm 15330 1 temperature 297 . K 15330 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15330 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15330 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15330 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15330 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15330 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15330 1 2 spectrometer_2 Varian INOVA . 600 . . . 15330 1 3 spectrometer_3 Varian INOVA . 500 . . . 15330 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 15330 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15330 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15330 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15330 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15330 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15330 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15330 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15330 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample1_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15330 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15330 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 1 . . . . . . . . . 15330 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15330 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15330 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15330 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample1_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D 1H-15N NOESY' . . . 15330 1 8 '3D 1H-13C NOESY' . . . 15330 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 12 12 SER H H 1 8.509 0.05 . 1 . . . . 12 SER HN . 15330 1 2 . 1 1 12 12 SER HA H 1 4.430 0.05 . 1 . . . . 12 SER HA . 15330 1 3 . 1 1 12 12 SER HB2 H 1 3.825 0.05 . 2 . . . . 12 SER HB1 . 15330 1 4 . 1 1 12 12 SER N N 15 118.485 0.5 . 1 . . . . 12 SER N . 15330 1 5 . 1 1 13 13 GLY H H 1 8.404 0.05 . 1 . . . . 13 GLY HN . 15330 1 6 . 1 1 13 13 GLY HA2 H 1 3.934 0.05 . 2 . . . . 13 GLY HA1 . 15330 1 7 . 1 1 13 13 GLY N N 15 111.084 0.5 . 1 . . . . 13 GLY N . 15330 1 8 . 1 1 14 14 ILE H H 1 8.006 0.05 . 1 . . . . 14 ILE HN . 15330 1 9 . 1 1 14 14 ILE HA H 1 4.086 0.05 . 1 . . . . 14 ILE HA . 15330 1 10 . 1 1 14 14 ILE HB H 1 1.783 0.05 . 1 . . . . 14 ILE HB . 15330 1 11 . 1 1 14 14 ILE HG21 H 1 0.810 0.05 . 4 . . . . 14 ILE HG2 . 15330 1 12 . 1 1 14 14 ILE HG22 H 1 0.810 0.05 . 4 . . . . 14 ILE HG2 . 15330 1 13 . 1 1 14 14 ILE HG23 H 1 0.810 0.05 . 4 . . . . 14 ILE HG2 . 15330 1 14 . 1 1 14 14 ILE N N 15 119.966 0.5 . 1 . . . . 14 ILE N . 15330 1 15 . 1 1 15 15 GLU H H 1 8.528 0.05 . 1 . . . . 15 GLU HN . 15330 1 16 . 1 1 15 15 GLU HA H 1 4.197 0.05 . 1 . . . . 15 GLU HA . 15330 1 17 . 1 1 15 15 GLU HB2 H 1 1.906 0.05 . 2 . . . . 15 GLU HB1 . 15330 1 18 . 1 1 15 15 GLU HG2 H 1 2.226 0.05 . 2 . . . . 15 GLU HG1 . 15330 1 19 . 1 1 15 15 GLU N N 15 124.654 0.5 . 1 . . . . 15 GLU N . 15330 1 20 . 1 1 16 16 GLY H H 1 8.343 0.05 . 1 . . . . 16 GLY HN . 15330 1 21 . 1 1 16 16 GLY HA2 H 1 3.876 0.05 . 2 . . . . 16 GLY HA1 . 15330 1 22 . 1 1 16 16 GLY N N 15 110.097 0.5 . 1 . . . . 16 GLY N . 15330 1 23 . 1 1 17 17 ARG H H 1 8.143 0.05 . 1 . . . . 17 ARG HN . 15330 1 24 . 1 1 17 17 ARG HA H 1 4.319 0.05 . 1 . . . . 17 ARG HA . 15330 1 25 . 1 1 17 17 ARG HB2 H 1 1.701 0.05 . 2 . . . . 17 ARG HB1 . 15330 1 26 . 1 1 17 17 ARG HB3 H 1 1.830 0.05 . 2 . . . . 17 ARG HB2 . 15330 1 27 . 1 1 17 17 ARG HG2 H 1 1.575 0.05 . 2 . . . . 17 ARG HG1 . 15330 1 28 . 1 1 17 17 ARG N N 15 120.459 0.5 . 1 . . . . 17 ARG N . 15330 1 29 . 1 1 18 18 GLY H H 1 8.477 0.05 . 1 . . . . 18 GLY HN . 15330 1 30 . 1 1 18 18 GLY HA2 H 1 3.894 0.05 . 2 . . . . 18 GLY HA1 . 15330 1 31 . 1 1 18 18 GLY N N 15 110.097 0.5 . 1 . . . . 18 GLY N . 15330 1 32 . 1 1 19 19 ARG H H 1 8.105 0.05 . 1 . . . . 19 ARG HN . 15330 1 33 . 1 1 19 19 ARG HA H 1 4.283 0.05 . 1 . . . . 19 ARG HA . 15330 1 34 . 1 1 19 19 ARG HB2 H 1 1.709 0.05 . 2 . . . . 19 ARG HB1 . 15330 1 35 . 1 1 19 19 ARG HB3 H 1 1.817 0.05 . 2 . . . . 19 ARG HB2 . 15330 1 36 . 1 1 19 19 ARG HD2 H 1 3.099 0.05 . 2 . . . . 19 ARG HD1 . 15330 1 37 . 1 1 19 19 ARG HG2 H 1 1.565 0.05 . 2 . . . . 19 ARG HG1 . 15330 1 38 . 1 1 19 19 ARG CA C 13 56.218 0.5 . 1 . . . . 19 ARG CA . 15330 1 39 . 1 1 19 19 ARG CB C 13 30.987 0.5 . 1 . . . . 19 ARG CB . 15330 1 40 . 1 1 19 19 ARG CD C 13 43.168 0.5 . 1 . . . . 19 ARG CD . 15330 1 41 . 1 1 19 19 ARG CG C 13 27.098 0.5 . 1 . . . . 19 ARG CG . 15330 1 42 . 1 1 19 19 ARG N N 15 120.706 0.5 . 1 . . . . 19 ARG N . 15330 1 43 . 1 1 20 20 SER H H 1 8.580 0.05 . 1 . . . . 20 SER HN . 15330 1 44 . 1 1 20 20 SER HA H 1 4.463 0.05 . 1 . . . . 20 SER HA . 15330 1 45 . 1 1 20 20 SER HB2 H 1 3.771 0.05 . 2 . . . . 20 SER HB1 . 15330 1 46 . 1 1 20 20 SER HB3 H 1 3.970 0.05 . 2 . . . . 20 SER HB2 . 15330 1 47 . 1 1 20 20 SER CA C 13 58.189 0.5 . 1 . . . . 20 SER CA . 15330 1 48 . 1 1 20 20 SER CB C 13 63.967 0.5 . 1 . . . . 20 SER CB . 15330 1 49 . 1 1 20 20 SER N N 15 117.992 0.5 . 1 . . . . 20 SER N . 15330 1 50 . 1 1 21 21 ALA H H 1 8.830 0.05 . 1 . . . . 21 ALA HN . 15330 1 51 . 1 1 21 21 ALA HA H 1 4.277 0.05 . 1 . . . . 21 ALA HA . 15330 1 52 . 1 1 21 21 ALA HB1 H 1 1.426 0.05 . 1 . . . . 21 ALA HB1 . 15330 1 53 . 1 1 21 21 ALA HB2 H 1 1.425 0.05 . 1 . . . . 21 ALA HB2 . 15330 1 54 . 1 1 21 21 ALA HB3 H 1 1.425 0.05 . 1 . . . . 21 ALA HB2 . 15330 1 55 . 1 1 21 21 ALA CA C 13 53.662 0.5 . 1 . . . . 21 ALA CA . 15330 1 56 . 1 1 21 21 ALA CB C 13 18.745 0.5 . 1 . . . . 21 ALA CB . 15330 1 57 . 1 1 21 21 ALA N N 15 128.108 0.5 . 1 . . . . 21 ALA N . 15330 1 58 . 1 1 22 22 LEU H H 1 8.204 0.05 . 1 . . . . 22 LEU HN . 15330 1 59 . 1 1 22 22 LEU HA H 1 4.259 0.05 . 1 . . . . 22 LEU HA . 15330 1 60 . 1 1 22 22 LEU HB2 H 1 1.244 0.05 . 2 . . . . 22 LEU HB1 . 15330 1 61 . 1 1 22 22 LEU HB3 H 1 1.381 0.05 . 2 . . . . 22 LEU HB2 . 15330 1 62 . 1 1 22 22 LEU HD11 H 1 0.433 0.05 . 4 . . . . 22 LEU HD1 . 15330 1 63 . 1 1 22 22 LEU HD12 H 1 0.433 0.05 . 4 . . . . 22 LEU HD1 . 15330 1 64 . 1 1 22 22 LEU HD13 H 1 0.433 0.05 . 4 . . . . 22 LEU HD1 . 15330 1 65 . 1 1 22 22 LEU HG H 1 0.328 0.05 . 1 . . . . 22 LEU HG . 15330 1 66 . 1 1 22 22 LEU CA C 13 55.382 0.5 . 1 . . . . 22 LEU CA . 15330 1 67 . 1 1 22 22 LEU CB C 13 42.077 0.5 . 1 . . . . 22 LEU CB . 15330 1 68 . 1 1 22 22 LEU CD1 C 13 22.389 0.5 . 2 . . . . 22 LEU CD1 . 15330 1 69 . 1 1 22 22 LEU CG C 13 24.622 0.5 . 1 . . . . 22 LEU CG . 15330 1 70 . 1 1 22 22 LEU N N 15 117.992 0.5 . 1 . . . . 22 LEU N . 15330 1 71 . 1 1 23 23 SER H H 1 7.769 0.05 . 1 . . . . 23 SER HN . 15330 1 72 . 1 1 23 23 SER HA H 1 3.784 0.05 . 1 . . . . 23 SER HA . 15330 1 73 . 1 1 23 23 SER HB2 H 1 4.129 0.05 . 2 . . . . 23 SER HB1 . 15330 1 74 . 1 1 23 23 SER HB3 H 1 4.258 0.05 . 2 . . . . 23 SER HB2 . 15330 1 75 . 1 1 23 23 SER CA C 13 63.166 0.5 . 1 . . . . 23 SER CA . 15330 1 76 . 1 1 23 23 SER CB C 13 62.894 0.5 . 1 . . . . 23 SER CB . 15330 1 77 . 1 1 23 23 SER N N 15 116.018 0.5 . 1 . . . . 23 SER N . 15330 1 78 . 1 1 24 24 CYS H H 1 8.277 0.05 . 1 . . . . 24 CYS HN . 15330 1 79 . 1 1 24 24 CYS HA H 1 4.293 0.05 . 1 . . . . 24 CYS HA . 15330 1 80 . 1 1 24 24 CYS HB2 H 1 2.827 0.05 . 2 . . . . 24 CYS HB1 . 15330 1 81 . 1 1 24 24 CYS HB3 H 1 3.459 0.05 . 2 . . . . 24 CYS HB2 . 15330 1 82 . 1 1 24 24 CYS CA C 13 57.918 0.5 . 1 . . . . 24 CYS CA . 15330 1 83 . 1 1 24 24 CYS CB C 13 37.652 0.5 . 1 . . . . 24 CYS CB . 15330 1 84 . 1 1 24 24 CYS N N 15 121.199 0.5 . 1 . . . . 24 CYS N . 15330 1 85 . 1 1 25 25 GLN H H 1 8.064 0.05 . 1 . . . . 25 GLN HN . 15330 1 86 . 1 1 25 25 GLN HA H 1 4.017 0.05 . 1 . . . . 25 GLN HA . 15330 1 87 . 1 1 25 25 GLN HB2 H 1 2.033 0.05 . 2 . . . . 25 GLN HB1 . 15330 1 88 . 1 1 25 25 GLN HB3 H 1 2.141 0.05 . 2 . . . . 25 GLN HB2 . 15330 1 89 . 1 1 25 25 GLN HE22 H 1 6.828 0.05 . 2 . . . . 25 GLN HE22 . 15330 1 90 . 1 1 25 25 GLN HG2 H 1 2.471 0.05 . 2 . . . . 25 GLN HG1 . 15330 1 91 . 1 1 25 25 GLN HG3 H 1 2.332 0.05 . 2 . . . . 25 GLN HG2 . 15330 1 92 . 1 1 25 25 GLN CA C 13 59.555 0.5 . 1 . . . . 25 GLN CA . 15330 1 93 . 1 1 25 25 GLN CB C 13 30.148 0.5 . 1 . . . . 25 GLN CB . 15330 1 94 . 1 1 25 25 GLN CG C 13 35.134 0.5 . 1 . . . . 25 GLN CG . 15330 1 95 . 1 1 25 25 GLN N N 15 118.239 0.5 . 1 . . . . 25 GLN N . 15330 1 96 . 1 1 25 25 GLN NE2 N 15 111.084 0.5 . 1 . . . . 25 GLN NE2 . 15330 1 97 . 1 1 26 26 MET H H 1 8.268 0.05 . 1 . . . . 26 MET HN . 15330 1 98 . 1 1 26 26 MET HA H 1 3.890 0.05 . 1 . . . . 26 MET HA . 15330 1 99 . 1 1 26 26 MET HB2 H 1 2.082 0.05 . 2 . . . . 26 MET HB1 . 15330 1 100 . 1 1 26 26 MET HB3 H 1 2.555 0.05 . 2 . . . . 26 MET HB2 . 15330 1 101 . 1 1 26 26 MET HE1 H 1 1.607 0.05 . 1 . . . . 26 MET HE . 15330 1 102 . 1 1 26 26 MET HE2 H 1 1.607 0.05 . 1 . . . . 26 MET HE . 15330 1 103 . 1 1 26 26 MET HE3 H 1 1.607 0.05 . 1 . . . . 26 MET HE . 15330 1 104 . 1 1 26 26 MET HG2 H 1 0.759 0.05 . 2 . . . . 26 MET HG1 . 15330 1 105 . 1 1 26 26 MET HG3 H 1 1.248 0.05 . 2 . . . . 26 MET HG2 . 15330 1 106 . 1 1 26 26 MET CA C 13 61.790 0.5 . 1 . . . . 26 MET CA . 15330 1 107 . 1 1 26 26 MET CB C 13 35.426 0.5 . 1 . . . . 26 MET CB . 15330 1 108 . 1 1 26 26 MET CE C 13 18.497 0.5 . 1 . . . . 26 MET CE . 15330 1 109 . 1 1 26 26 MET CG C 13 29.853 0.5 . 1 . . . . 26 MET CG . 15330 1 110 . 1 1 26 26 MET N N 15 118.732 0.5 . 1 . . . . 26 MET N . 15330 1 111 . 1 1 27 27 CYS H H 1 8.646 0.05 . 1 . . . . 27 CYS HN . 15330 1 112 . 1 1 27 27 CYS HA H 1 4.097 0.05 . 1 . . . . 27 CYS HA . 15330 1 113 . 1 1 27 27 CYS HB2 H 1 3.196 0.05 . 2 . . . . 27 CYS HB1 . 15330 1 114 . 1 1 27 27 CYS HB3 H 1 3.893 0.05 . 2 . . . . 27 CYS HB2 . 15330 1 115 . 1 1 27 27 CYS CA C 13 61.807 0.5 . 1 . . . . 27 CYS CA . 15330 1 116 . 1 1 27 27 CYS CB C 13 42.876 0.5 . 1 . . . . 27 CYS CB . 15330 1 117 . 1 1 27 27 CYS N N 15 121.446 0.5 . 1 . . . . 27 CYS N . 15330 1 118 . 1 1 28 28 GLU H H 1 8.554 0.05 . 1 . . . . 28 GLU HN . 15330 1 119 . 1 1 28 28 GLU HA H 1 3.975 0.05 . 1 . . . . 28 GLU HA . 15330 1 120 . 1 1 28 28 GLU HB2 H 1 1.997 0.05 . 2 . . . . 28 GLU HB1 . 15330 1 121 . 1 1 28 28 GLU HB3 H 1 2.007 0.05 . 2 . . . . 28 GLU HB2 . 15330 1 122 . 1 1 28 28 GLU HG2 H 1 2.572 0.05 . 2 . . . . 28 GLU HG1 . 15330 1 123 . 1 1 28 28 GLU HG3 H 1 2.282 0.05 . 2 . . . . 28 GLU HG2 . 15330 1 124 . 1 1 28 28 GLU CA C 13 59.558 0.5 . 1 . . . . 28 GLU CA . 15330 1 125 . 1 1 28 28 GLU CG C 13 36.507 0.5 . 1 . . . . 28 GLU CG . 15330 1 126 . 1 1 28 28 GLU N N 15 118.239 0.5 . 1 . . . . 28 GLU N . 15330 1 127 . 1 1 29 29 LEU H H 1 7.912 0.05 . 1 . . . . 29 LEU HN . 15330 1 128 . 1 1 29 29 LEU HA H 1 4.346 0.05 . 1 . . . . 29 LEU HA . 15330 1 129 . 1 1 29 29 LEU HB2 H 1 1.833 0.05 . 2 . . . . 29 LEU HB1 . 15330 1 130 . 1 1 29 29 LEU HB3 H 1 2.266 0.05 . 2 . . . . 29 LEU HB2 . 15330 1 131 . 1 1 29 29 LEU HD11 H 1 0.917 0.05 . 4 . . . . 29 LEU HD1 . 15330 1 132 . 1 1 29 29 LEU HD12 H 1 0.917 0.05 . 4 . . . . 29 LEU HD1 . 15330 1 133 . 1 1 29 29 LEU HD13 H 1 0.917 0.05 . 4 . . . . 29 LEU HD1 . 15330 1 134 . 1 1 29 29 LEU HD21 H 1 0.673 0.05 . 4 . . . . 29 LEU HD2 . 15330 1 135 . 1 1 29 29 LEU HD22 H 1 0.673 0.05 . 4 . . . . 29 LEU HD2 . 15330 1 136 . 1 1 29 29 LEU HD23 H 1 0.673 0.05 . 4 . . . . 29 LEU HD2 . 15330 1 137 . 1 1 29 29 LEU HG H 1 1.752 0.05 . 1 . . . . 29 LEU HG . 15330 1 138 . 1 1 29 29 LEU CA C 13 57.877 0.5 . 1 . . . . 29 LEU CA . 15330 1 139 . 1 1 29 29 LEU CB C 13 42.067 0.5 . 1 . . . . 29 LEU CB . 15330 1 140 . 1 1 29 29 LEU CD1 C 13 23.778 0.5 . 2 . . . . 29 LEU CD1 . 15330 1 141 . 1 1 29 29 LEU CD2 C 13 24.877 0.5 . 2 . . . . 29 LEU CD2 . 15330 1 142 . 1 1 29 29 LEU CG C 13 27.364 0.5 . 1 . . . . 29 LEU CG . 15330 1 143 . 1 1 29 29 LEU N N 15 122.433 0.5 . 1 . . . . 29 LEU N . 15330 1 144 . 1 1 30 30 VAL H H 1 8.251 0.05 . 1 . . . . 30 VAL HN . 15330 1 145 . 1 1 30 30 VAL HA H 1 3.315 0.05 . 1 . . . . 30 VAL HA . 15330 1 146 . 1 1 30 30 VAL HB H 1 2.505 0.05 . 1 . . . . 30 VAL HB . 15330 1 147 . 1 1 30 30 VAL HG11 H 1 0.767 0.05 . 4 . . . . 30 VAL HG1 . 15330 1 148 . 1 1 30 30 VAL HG12 H 1 0.767 0.05 . 4 . . . . 30 VAL HG1 . 15330 1 149 . 1 1 30 30 VAL HG13 H 1 0.767 0.05 . 4 . . . . 30 VAL HG1 . 15330 1 150 . 1 1 30 30 VAL HG21 H 1 0.718 0.05 . 4 . . . . 30 VAL HG2 . 15330 1 151 . 1 1 30 30 VAL HG22 H 1 0.718 0.05 . 4 . . . . 30 VAL HG2 . 15330 1 152 . 1 1 30 30 VAL HG23 H 1 0.718 0.05 . 4 . . . . 30 VAL HG2 . 15330 1 153 . 1 1 30 30 VAL CA C 13 64.085 0.5 . 1 . . . . 30 VAL CA . 15330 1 154 . 1 1 30 30 VAL CB C 13 32.374 0.5 . 1 . . . . 30 VAL CB . 15330 1 155 . 1 1 30 30 VAL CG1 C 13 22.694 0.5 . 2 . . . . 30 VAL CG1 . 15330 1 156 . 1 1 30 30 VAL CG2 C 13 25.710 0.5 . 2 . . . . 30 VAL CG2 . 15330 1 157 . 1 1 30 30 VAL N N 15 120.953 0.5 . 1 . . . . 30 VAL N . 15330 1 158 . 1 1 31 31 VAL H H 1 8.071 0.05 . 1 . . . . 31 VAL HN . 15330 1 159 . 1 1 31 31 VAL HA H 1 3.340 0.05 . 1 . . . . 31 VAL HA . 15330 1 160 . 1 1 31 31 VAL HB H 1 2.208 0.05 . 1 . . . . 31 VAL HB . 15330 1 161 . 1 1 31 31 VAL HG11 H 1 1.072 0.05 . 4 . . . . 31 VAL HG1 . 15330 1 162 . 1 1 31 31 VAL HG12 H 1 1.072 0.05 . 4 . . . . 31 VAL HG1 . 15330 1 163 . 1 1 31 31 VAL HG13 H 1 1.072 0.05 . 4 . . . . 31 VAL HG1 . 15330 1 164 . 1 1 31 31 VAL HG21 H 1 0.957 0.05 . 4 . . . . 31 VAL HG2 . 15330 1 165 . 1 1 31 31 VAL HG22 H 1 0.957 0.05 . 4 . . . . 31 VAL HG2 . 15330 1 166 . 1 1 31 31 VAL HG23 H 1 0.957 0.05 . 4 . . . . 31 VAL HG2 . 15330 1 167 . 1 1 31 31 VAL CA C 13 67.602 0.5 . 1 . . . . 31 VAL CA . 15330 1 168 . 1 1 31 31 VAL CB C 13 31.803 0.5 . 1 . . . . 31 VAL CB . 15330 1 169 . 1 1 31 31 VAL CG1 C 13 23.739 0.5 . 2 . . . . 31 VAL CG1 . 15330 1 170 . 1 1 31 31 VAL CG2 C 13 22.368 0.5 . 2 . . . . 31 VAL CG2 . 15330 1 171 . 1 1 31 31 VAL N N 15 118.979 0.5 . 1 . . . . 31 VAL N . 15330 1 172 . 1 1 32 32 LYS H H 1 8.088 0.05 . 1 . . . . 32 LYS HN . 15330 1 173 . 1 1 32 32 LYS HA H 1 4.096 0.05 . 1 . . . . 32 LYS HA . 15330 1 174 . 1 1 32 32 LYS HB2 H 1 1.994 0.05 . 2 . . . . 32 LYS HB1 . 15330 1 175 . 1 1 32 32 LYS HD2 H 1 1.651 0.05 . 2 . . . . 32 LYS HD1 . 15330 1 176 . 1 1 32 32 LYS HE2 H 1 2.895 0.05 . 2 . . . . 32 LYS HE1 . 15330 1 177 . 1 1 32 32 LYS HG2 H 1 1.414 0.05 . 2 . . . . 32 LYS HG1 . 15330 1 178 . 1 1 32 32 LYS HG3 H 1 1.579 0.05 . 2 . . . . 32 LYS HG2 . 15330 1 179 . 1 1 32 32 LYS CA C 13 59.838 0.5 . 1 . . . . 32 LYS CA . 15330 1 180 . 1 1 32 32 LYS CB C 13 32.651 0.5 . 1 . . . . 32 LYS CB . 15330 1 181 . 1 1 32 32 LYS CD C 13 29.319 0.5 . 1 . . . . 32 LYS CD . 15330 1 182 . 1 1 32 32 LYS CE C 13 41.776 0.5 . 1 . . . . 32 LYS CE . 15330 1 183 . 1 1 32 32 LYS CG C 13 25.147 0.5 . 1 . . . . 32 LYS CG . 15330 1 184 . 1 1 32 32 LYS N N 15 119.226 0.5 . 1 . . . . 32 LYS N . 15330 1 185 . 1 1 33 33 LYS H H 1 8.460 0.05 . 1 . . . . 33 LYS HN . 15330 1 186 . 1 1 33 33 LYS HA H 1 4.176 0.05 . 1 . . . . 33 LYS HA . 15330 1 187 . 1 1 33 33 LYS HB2 H 1 1.916 0.05 . 2 . . . . 33 LYS HB1 . 15330 1 188 . 1 1 33 33 LYS HB3 H 1 2.251 0.05 . 2 . . . . 33 LYS HB2 . 15330 1 189 . 1 1 33 33 LYS HD2 H 1 1.608 0.05 . 2 . . . . 33 LYS HD1 . 15330 1 190 . 1 1 33 33 LYS HD3 H 1 1.658 0.05 . 2 . . . . 33 LYS HD2 . 15330 1 191 . 1 1 33 33 LYS HE2 H 1 2.664 0.05 . 2 . . . . 33 LYS HE1 . 15330 1 192 . 1 1 33 33 LYS HE3 H 1 2.734 0.05 . 2 . . . . 33 LYS HE2 . 15330 1 193 . 1 1 33 33 LYS HG2 H 1 1.312 0.05 . 2 . . . . 33 LYS HG1 . 15330 1 194 . 1 1 33 33 LYS HG3 H 1 1.957 0.05 . 2 . . . . 33 LYS HG2 . 15330 1 195 . 1 1 33 33 LYS CA C 13 57.066 0.5 . 1 . . . . 33 LYS CA . 15330 1 196 . 1 1 33 33 LYS CB C 13 31.540 0.5 . 1 . . . . 33 LYS CB . 15330 1 197 . 1 1 33 33 LYS CD C 13 27.670 0.5 . 1 . . . . 33 LYS CD . 15330 1 198 . 1 1 33 33 LYS CE C 13 41.799 0.5 . 1 . . . . 33 LYS CE . 15330 1 199 . 1 1 33 33 LYS CG C 13 24.059 0.5 . 1 . . . . 33 LYS CG . 15330 1 200 . 1 1 33 33 LYS N N 15 118.868 0.5 . 1 . . . . 33 LYS N . 15330 1 201 . 1 1 34 34 TYR H H 1 8.966 0.05 . 1 . . . . 34 TYR HN . 15330 1 202 . 1 1 34 34 TYR HA H 1 3.935 0.05 . 1 . . . . 34 TYR HA . 15330 1 203 . 1 1 34 34 TYR HB2 H 1 2.724 0.05 . 2 . . . . 34 TYR HB1 . 15330 1 204 . 1 1 34 34 TYR HB3 H 1 3.307 0.05 . 2 . . . . 34 TYR HB2 . 15330 1 205 . 1 1 34 34 TYR HD1 H 1 6.878 0.05 . 1 . . . . 34 TYR HD1 . 15330 1 206 . 1 1 34 34 TYR CA C 13 62.301 0.5 . 1 . . . . 34 TYR CA . 15330 1 207 . 1 1 34 34 TYR CB C 13 39.007 0.5 . 1 . . . . 34 TYR CB . 15330 1 208 . 1 1 34 34 TYR N N 15 121.940 0.5 . 1 . . . . 34 TYR N . 15330 1 209 . 1 1 35 35 GLU H H 1 8.980 0.05 . 1 . . . . 35 GLU HN . 15330 1 210 . 1 1 35 35 GLU HA H 1 3.898 0.05 . 1 . . . . 35 GLU HA . 15330 1 211 . 1 1 35 35 GLU HB2 H 1 2.087 0.05 . 2 . . . . 35 GLU HB1 . 15330 1 212 . 1 1 35 35 GLU HB3 H 1 2.164 0.05 . 2 . . . . 35 GLU HB2 . 15330 1 213 . 1 1 35 35 GLU HG2 H 1 2.586 0.05 . 2 . . . . 35 GLU HG1 . 15330 1 214 . 1 1 35 35 GLU HG3 H 1 2.500 0.05 . 2 . . . . 35 GLU HG2 . 15330 1 215 . 1 1 35 35 GLU CA C 13 58.979 0.5 . 1 . . . . 35 GLU CA . 15330 1 216 . 1 1 35 35 GLU CB C 13 29.876 0.5 . 1 . . . . 35 GLU CB . 15330 1 217 . 1 1 35 35 GLU CG C 13 35.967 0.5 . 1 . . . . 35 GLU CG . 15330 1 218 . 1 1 35 35 GLU N N 15 118.239 0.5 . 1 . . . . 35 GLU N . 15330 1 219 . 1 1 36 36 GLY H H 1 7.696 0.05 . 1 . . . . 36 GLY HN . 15330 1 220 . 1 1 36 36 GLY HA2 H 1 4.069 0.05 . 2 . . . . 36 GLY HA1 . 15330 1 221 . 1 1 36 36 GLY HA3 H 1 3.653 0.05 . 2 . . . . 36 GLY HA2 . 15330 1 222 . 1 1 36 36 GLY CA C 13 45.055 0.5 . 1 . . . . 36 GLY CA . 15330 1 223 . 1 1 36 36 GLY N N 15 103.730 0.5 . 1 . . . . 36 GLY N . 15330 1 224 . 1 1 37 37 SER H H 1 6.977 0.05 . 1 . . . . 37 SER HN . 15330 1 225 . 1 1 37 37 SER HA H 1 4.364 0.05 . 1 . . . . 37 SER HA . 15330 1 226 . 1 1 37 37 SER HB2 H 1 3.843 0.05 . 2 . . . . 37 SER HB1 . 15330 1 227 . 1 1 37 37 SER HB3 H 1 3.661 0.05 . 2 . . . . 37 SER HB2 . 15330 1 228 . 1 1 37 37 SER CA C 13 57.087 0.5 . 1 . . . . 37 SER CA . 15330 1 229 . 1 1 37 37 SER CB C 13 63.450 0.5 . 1 . . . . 37 SER CB . 15330 1 230 . 1 1 37 37 SER N N 15 115.525 0.5 . 1 . . . . 37 SER N . 15330 1 231 . 1 1 38 38 ALA H H 1 8.918 0.05 . 1 . . . . 38 ALA HN . 15330 1 232 . 1 1 38 38 ALA HA H 1 4.153 0.05 . 1 . . . . 38 ALA HA . 15330 1 233 . 1 1 38 38 ALA HB1 H 1 1.375 0.05 . 1 . . . . 38 ALA HB . 15330 1 234 . 1 1 38 38 ALA HB2 H 1 1.375 0.05 . 1 . . . . 38 ALA HB . 15330 1 235 . 1 1 38 38 ALA HB3 H 1 1.375 0.05 . 1 . . . . 38 ALA HB . 15330 1 236 . 1 1 38 38 ALA CA C 13 54.285 0.5 . 1 . . . . 38 ALA CA . 15330 1 237 . 1 1 38 38 ALA CB C 13 18.784 0.5 . 1 . . . . 38 ALA CB . 15330 1 238 . 1 1 38 38 ALA N N 15 131.315 0.5 . 1 . . . . 38 ALA N . 15330 1 239 . 1 1 39 39 ASP H H 1 7.712 0.05 . 1 . . . . 39 ASP HN . 15330 1 240 . 1 1 39 39 ASP HA H 1 4.578 0.05 . 1 . . . . 39 ASP HA . 15330 1 241 . 1 1 39 39 ASP HB2 H 1 2.604 0.05 . 2 . . . . 39 ASP HB1 . 15330 1 242 . 1 1 39 39 ASP HB3 H 1 2.617 0.05 . 2 . . . . 39 ASP HB2 . 15330 1 243 . 1 1 39 39 ASP CA C 13 52.907 0.5 . 1 . . . . 39 ASP CA . 15330 1 244 . 1 1 39 39 ASP CB C 13 41.519 0.5 . 1 . . . . 39 ASP CB . 15330 1 245 . 1 1 39 39 ASP N N 15 114.785 0.5 . 1 . . . . 39 ASP N . 15330 1 246 . 1 1 40 40 LYS H H 1 8.386 0.05 . 1 . . . . 40 LYS HN . 15330 1 247 . 1 1 40 40 LYS HA H 1 3.604 0.05 . 1 . . . . 40 LYS HA . 15330 1 248 . 1 1 40 40 LYS HB2 H 1 1.747 0.05 . 2 . . . . 40 LYS HB1 . 15330 1 249 . 1 1 40 40 LYS HB3 H 1 1.839 0.05 . 2 . . . . 40 LYS HB2 . 15330 1 250 . 1 1 40 40 LYS HD2 H 1 0.502 0.05 . 2 . . . . 40 LYS HD1 . 15330 1 251 . 1 1 40 40 LYS HD3 H 1 0.995 0.05 . 2 . . . . 40 LYS HD2 . 15330 1 252 . 1 1 40 40 LYS HE2 H 1 2.596 0.05 . 2 . . . . 40 LYS HE1 . 15330 1 253 . 1 1 40 40 LYS HE3 H 1 2.665 0.05 . 2 . . . . 40 LYS HE2 . 15330 1 254 . 1 1 40 40 LYS HG2 H 1 0.911 0.05 . 2 . . . . 40 LYS HG1 . 15330 1 255 . 1 1 40 40 LYS HG3 H 1 1.159 0.05 . 2 . . . . 40 LYS HG2 . 15330 1 256 . 1 1 40 40 LYS CA C 13 54.835 0.5 . 1 . . . . 40 LYS CA . 15330 1 257 . 1 1 40 40 LYS CB C 13 29.039 0.5 . 1 . . . . 40 LYS CB . 15330 1 258 . 1 1 40 40 LYS CD C 13 27.379 0.5 . 1 . . . . 40 LYS CD . 15330 1 259 . 1 1 40 40 LYS CE C 13 42.930 0.5 . 1 . . . . 40 LYS CE . 15330 1 260 . 1 1 40 40 LYS CG C 13 24.324 0.5 . 1 . . . . 40 LYS CG . 15330 1 261 . 1 1 40 40 LYS N N 15 119.226 0.5 . 1 . . . . 40 LYS N . 15330 1 262 . 1 1 41 41 ASP H H 1 7.523 0.05 . 1 . . . . 41 ASP HN . 15330 1 263 . 1 1 41 41 ASP HA H 1 4.376 0.05 . 1 . . . . 41 ASP HA . 15330 1 264 . 1 1 41 41 ASP HB2 H 1 2.559 0.05 . 2 . . . . 41 ASP HB1 . 15330 1 265 . 1 1 41 41 ASP HB3 H 1 2.721 0.05 . 2 . . . . 41 ASP HB2 . 15330 1 266 . 1 1 41 41 ASP CA C 13 54.330 0.5 . 1 . . . . 41 ASP CA . 15330 1 267 . 1 1 41 41 ASP CB C 13 42.108 0.5 . 1 . . . . 41 ASP CB . 15330 1 268 . 1 1 41 41 ASP N N 15 119.226 0.5 . 1 . . . . 41 ASP N . 15330 1 269 . 1 1 42 42 ALA H H 1 9.017 0.05 . 1 . . . . 42 ALA HN . 15330 1 270 . 1 1 42 42 ALA HA H 1 3.860 0.05 . 1 . . . . 42 ALA HA . 15330 1 271 . 1 1 42 42 ALA HB1 H 1 1.462 0.05 . 1 . . . . 42 ALA HB . 15330 1 272 . 1 1 42 42 ALA HB2 H 1 1.462 0.05 . 1 . . . . 42 ALA HB . 15330 1 273 . 1 1 42 42 ALA HB3 H 1 1.462 0.05 . 1 . . . . 42 ALA HB . 15330 1 274 . 1 1 42 42 ALA CA C 13 55.680 0.5 . 1 . . . . 42 ALA CA . 15330 1 275 . 1 1 42 42 ALA CB C 13 19.315 0.5 . 1 . . . . 42 ALA CB . 15330 1 276 . 1 1 42 42 ALA N N 15 130.822 0.5 . 1 . . . . 42 ALA N . 15330 1 277 . 1 1 43 43 ASN H H 1 8.433 0.05 . 1 . . . . 43 ASN HN . 15330 1 278 . 1 1 43 43 ASN HA H 1 4.386 0.05 . 1 . . . . 43 ASN HA . 15330 1 279 . 1 1 43 43 ASN HB2 H 1 2.683 0.05 . 2 . . . . 43 ASN HB1 . 15330 1 280 . 1 1 43 43 ASN HB3 H 1 2.956 0.05 . 2 . . . . 43 ASN HB2 . 15330 1 281 . 1 1 43 43 ASN CA C 13 56.511 0.5 . 1 . . . . 43 ASN CA . 15330 1 282 . 1 1 43 43 ASN CB C 13 38.255 0.5 . 1 . . . . 43 ASN CB . 15330 1 283 . 1 1 43 43 ASN N N 15 114.785 0.5 . 1 . . . . 43 ASN N . 15330 1 284 . 1 1 44 44 VAL H H 1 7.510 0.05 . 1 . . . . 44 VAL HN . 15330 1 285 . 1 1 44 44 VAL HA H 1 3.601 0.05 . 1 . . . . 44 VAL HA . 15330 1 286 . 1 1 44 44 VAL HB H 1 2.164 0.05 . 1 . . . . 44 VAL HB . 15330 1 287 . 1 1 44 44 VAL HG11 H 1 0.962 0.05 . 4 . . . . 44 VAL HG1 . 15330 1 288 . 1 1 44 44 VAL HG12 H 1 0.962 0.05 . 4 . . . . 44 VAL HG1 . 15330 1 289 . 1 1 44 44 VAL HG13 H 1 0.962 0.05 . 4 . . . . 44 VAL HG1 . 15330 1 290 . 1 1 44 44 VAL HG21 H 1 0.970 0.05 . 4 . . . . 44 VAL HG2 . 15330 1 291 . 1 1 44 44 VAL HG22 H 1 0.970 0.05 . 4 . . . . 44 VAL HG2 . 15330 1 292 . 1 1 44 44 VAL HG23 H 1 0.970 0.05 . 4 . . . . 44 VAL HG2 . 15330 1 293 . 1 1 44 44 VAL CA C 13 66.228 0.5 . 1 . . . . 44 VAL CA . 15330 1 294 . 1 1 44 44 VAL CB C 13 33.117 0.5 . 1 . . . . 44 VAL CB . 15330 1 295 . 1 1 44 44 VAL CG1 C 13 21.807 0.5 . 2 . . . . 44 VAL CG1 . 15330 1 296 . 1 1 44 44 VAL CG2 C 13 22.324 0.5 . 2 . . . . 44 VAL CG2 . 15330 1 297 . 1 1 44 44 VAL N N 15 123.173 0.5 . 1 . . . . 44 VAL N . 15330 1 298 . 1 1 45 45 ILE H H 1 8.084 0.05 . 1 . . . . 45 ILE HN . 15330 1 299 . 1 1 45 45 ILE HA H 1 3.743 0.05 . 1 . . . . 45 ILE HA . 15330 1 300 . 1 1 45 45 ILE HB H 1 1.788 0.05 . 1 . . . . 45 ILE HB . 15330 1 301 . 1 1 45 45 ILE HD11 H 1 0.769 0.05 . 1 . . . . 45 ILE HD1 . 15330 1 302 . 1 1 45 45 ILE HD12 H 1 0.769 0.05 . 1 . . . . 45 ILE HD1 . 15330 1 303 . 1 1 45 45 ILE HD13 H 1 0.769 0.05 . 1 . . . . 45 ILE HD1 . 15330 1 304 . 1 1 45 45 ILE HG12 H 1 1.085 0.05 . 9 . . . . 45 ILE HG11 . 15330 1 305 . 1 1 45 45 ILE HG13 H 1 1.699 0.05 . 9 . . . . 45 ILE HG12 . 15330 1 306 . 1 1 45 45 ILE HG21 H 1 0.846 0.05 . 4 . . . . 45 ILE HG2 . 15330 1 307 . 1 1 45 45 ILE HG22 H 1 0.846 0.05 . 4 . . . . 45 ILE HG2 . 15330 1 308 . 1 1 45 45 ILE HG23 H 1 0.846 0.05 . 4 . . . . 45 ILE HG2 . 15330 1 309 . 1 1 45 45 ILE CA C 13 65.113 0.5 . 1 . . . . 45 ILE CA . 15330 1 310 . 1 1 45 45 ILE CB C 13 37.376 0.5 . 1 . . . . 45 ILE CB . 15330 1 311 . 1 1 45 45 ILE CD1 C 13 13.778 0.5 . 1 . . . . 45 ILE CD1 . 15330 1 312 . 1 1 45 45 ILE CG1 C 13 29.065 0.5 . 1 . . . . 45 ILE CG1 . 15330 1 313 . 1 1 45 45 ILE CG2 C 13 17.110 0.5 . 1 . . . . 45 ILE CG2 . 15330 1 314 . 1 1 45 45 ILE N N 15 120.213 0.5 . 1 . . . . 45 ILE N . 15330 1 315 . 1 1 46 46 LYS H H 1 8.393 0.05 . 1 . . . . 46 LYS HN . 15330 1 316 . 1 1 46 46 LYS HA H 1 3.809 0.05 . 1 . . . . 46 LYS HA . 15330 1 317 . 1 1 46 46 LYS HB2 H 1 1.972 0.05 . 2 . . . . 46 LYS HB1 . 15330 1 318 . 1 1 46 46 LYS HE2 H 1 2.734 0.05 . 2 . . . . 46 LYS HE1 . 15330 1 319 . 1 1 46 46 LYS HG2 H 1 1.228 0.05 . 2 . . . . 46 LYS HG1 . 15330 1 320 . 1 1 46 46 LYS HG3 H 1 1.721 0.05 . 2 . . . . 46 LYS HG2 . 15330 1 321 . 1 1 46 46 LYS CA C 13 62.030 0.5 . 1 . . . . 46 LYS CA . 15330 1 322 . 1 1 46 46 LYS CB C 13 32.915 0.5 . 1 . . . . 46 LYS CB . 15330 1 323 . 1 1 46 46 LYS CE C 13 42.072 0.5 . 1 . . . . 46 LYS CE . 15330 1 324 . 1 1 46 46 LYS CG C 13 29.293 0.5 . 1 . . . . 46 LYS CG . 15330 1 325 . 1 1 46 46 LYS N N 15 118.239 0.5 . 1 . . . . 46 LYS N . 15330 1 326 . 1 1 47 47 LYS H H 1 7.469 0.05 . 1 . . . . 47 LYS HN . 15330 1 327 . 1 1 47 47 LYS HA H 1 4.128 0.05 . 1 . . . . 47 LYS HA . 15330 1 328 . 1 1 47 47 LYS HB2 H 1 1.977 0.05 . 2 . . . . 47 LYS HB1 . 15330 1 329 . 1 1 47 47 LYS HD2 H 1 1.684 0.05 . 2 . . . . 47 LYS HD1 . 15330 1 330 . 1 1 47 47 LYS HE2 H 1 2.938 0.05 . 2 . . . . 47 LYS HE1 . 15330 1 331 . 1 1 47 47 LYS HG2 H 1 1.484 0.05 . 2 . . . . 47 LYS HG1 . 15330 1 332 . 1 1 47 47 LYS HG3 H 1 1.622 0.05 . 2 . . . . 47 LYS HG2 . 15330 1 333 . 1 1 47 47 LYS CA C 13 59.824 0.5 . 1 . . . . 47 LYS CA . 15330 1 334 . 1 1 47 47 LYS CB C 13 32.656 0.5 . 1 . . . . 47 LYS CB . 15330 1 335 . 1 1 47 47 LYS CD C 13 29.334 0.5 . 1 . . . . 47 LYS CD . 15330 1 336 . 1 1 47 47 LYS CE C 13 41.800 0.5 . 1 . . . . 47 LYS CE . 15330 1 337 . 1 1 47 47 LYS CG C 13 24.889 0.5 . 1 . . . . 47 LYS CG . 15330 1 338 . 1 1 47 47 LYS N N 15 119.719 0.5 . 1 . . . . 47 LYS N . 15330 1 339 . 1 1 48 48 ASP H H 1 8.697 0.05 . 1 . . . . 48 ASP HN . 15330 1 340 . 1 1 48 48 ASP HA H 1 4.483 0.05 . 1 . . . . 48 ASP HA . 15330 1 341 . 1 1 48 48 ASP HB2 H 1 2.575 0.05 . 2 . . . . 48 ASP HB1 . 15330 1 342 . 1 1 48 48 ASP HB3 H 1 2.796 0.05 . 2 . . . . 48 ASP HB2 . 15330 1 343 . 1 1 48 48 ASP CA C 13 57.054 0.5 . 1 . . . . 48 ASP CA . 15330 1 344 . 1 1 48 48 ASP CB C 13 40.422 0.5 . 1 . . . . 48 ASP CB . 15330 1 345 . 1 1 48 48 ASP N N 15 122.433 0.5 . 1 . . . . 48 ASP N . 15330 1 346 . 1 1 49 49 PHE H H 1 9.328 0.05 . 1 . . . . 49 PHE HN . 15330 1 347 . 1 1 49 49 PHE HA H 1 3.820 0.05 . 1 . . . . 49 PHE HA . 15330 1 348 . 1 1 49 49 PHE HB2 H 1 2.925 0.05 . 2 . . . . 49 PHE HB1 . 15330 1 349 . 1 1 49 49 PHE HB3 H 1 3.408 0.05 . 2 . . . . 49 PHE HB2 . 15330 1 350 . 1 1 49 49 PHE HD1 H 1 6.972 0.05 . 1 . . . . 49 PHE HD1 . 15330 1 351 . 1 1 49 49 PHE HD2 H 1 6.980 0.05 . 1 . . . . 49 PHE HD2 . 15330 1 352 . 1 1 49 49 PHE CA C 13 62.071 0.5 . 1 . . . . 49 PHE CA . 15330 1 353 . 1 1 49 49 PHE CB C 13 39.041 0.5 . 1 . . . . 49 PHE CB . 15330 1 354 . 1 1 49 49 PHE N N 15 120.502 0.5 . 1 . . . . 49 PHE N . 15330 1 355 . 1 1 50 50 ASP H H 1 8.603 0.05 . 1 . . . . 50 ASP HN . 15330 1 356 . 1 1 50 50 ASP HA H 1 3.855 0.05 . 1 . . . . 50 ASP HA . 15330 1 357 . 1 1 50 50 ASP HB2 H 1 2.906 0.05 . 2 . . . . 50 ASP HB1 . 15330 1 358 . 1 1 50 50 ASP HB3 H 1 3.026 0.05 . 2 . . . . 50 ASP HB2 . 15330 1 359 . 1 1 50 50 ASP CA C 13 57.655 0.5 . 1 . . . . 50 ASP CA . 15330 1 360 . 1 1 50 50 ASP CB C 13 41.246 0.5 . 1 . . . . 50 ASP CB . 15330 1 361 . 1 1 50 50 ASP N N 15 120.706 0.5 . 1 . . . . 50 ASP N . 15330 1 362 . 1 1 51 51 ALA H H 1 7.510 0.05 . 1 . . . . 51 ALA HN . 15330 1 363 . 1 1 51 51 ALA HA H 1 3.982 0.05 . 1 . . . . 51 ALA HA . 15330 1 364 . 1 1 51 51 ALA HB1 H 1 1.475 0.05 . 1 . . . . 51 ALA HB . 15330 1 365 . 1 1 51 51 ALA HB2 H 1 1.475 0.05 . 1 . . . . 51 ALA HB . 15330 1 366 . 1 1 51 51 ALA HB3 H 1 1.475 0.05 . 1 . . . . 51 ALA HB . 15330 1 367 . 1 1 51 51 ALA CA C 13 56.311 0.5 . 1 . . . . 51 ALA CA . 15330 1 368 . 1 1 51 51 ALA CB C 13 18.201 0.5 . 1 . . . . 51 ALA CB . 15330 1 369 . 1 1 51 51 ALA N N 15 117.499 0.5 . 1 . . . . 51 ALA N . 15330 1 370 . 1 1 52 52 GLU H H 1 7.604 0.05 . 1 . . . . 52 GLU HN . 15330 1 371 . 1 1 52 52 GLU HA H 1 3.941 0.05 . 1 . . . . 52 GLU HA . 15330 1 372 . 1 1 52 52 GLU HB2 H 1 1.751 0.05 . 2 . . . . 52 GLU HB1 . 15330 1 373 . 1 1 52 52 GLU HB3 H 1 1.998 0.05 . 2 . . . . 52 GLU HB2 . 15330 1 374 . 1 1 52 52 GLU HG2 H 1 2.180 0.05 . 2 . . . . 52 GLU HG1 . 15330 1 375 . 1 1 52 52 GLU CA C 13 59.294 0.5 . 1 . . . . 52 GLU CA . 15330 1 376 . 1 1 52 52 GLU CB C 13 29.581 0.5 . 1 . . . . 52 GLU CB . 15330 1 377 . 1 1 52 52 GLU CG C 13 36.277 0.5 . 1 . . . . 52 GLU CG . 15330 1 378 . 1 1 52 52 GLU N N 15 118.979 0.5 . 1 . . . . 52 GLU N . 15330 1 379 . 1 1 53 53 CYS H H 1 9.106 0.05 . 1 . . . . 53 CYS HN . 15330 1 380 . 1 1 53 53 CYS HA H 1 3.502 0.05 . 1 . . . . 53 CYS HA . 15330 1 381 . 1 1 53 53 CYS HB2 H 1 1.538 0.05 . 2 . . . . 53 CYS HB1 . 15330 1 382 . 1 1 53 53 CYS HB3 H 1 2.788 0.05 . 2 . . . . 53 CYS HB2 . 15330 1 383 . 1 1 53 53 CYS CA C 13 60.943 0.5 . 1 . . . . 53 CYS CA . 15330 1 384 . 1 1 53 53 CYS CB C 13 37.388 0.5 . 1 . . . . 53 CYS CB . 15330 1 385 . 1 1 53 53 CYS N N 15 120.292 0.5 . 1 . . . . 53 CYS N . 15330 1 386 . 1 1 54 54 LYS H H 1 7.888 0.05 . 1 . . . . 54 LYS HN . 15330 1 387 . 1 1 54 54 LYS HA H 1 3.634 0.05 . 1 . . . . 54 LYS HA . 15330 1 388 . 1 1 54 54 LYS HB2 H 1 1.713 0.05 . 2 . . . . 54 LYS HB1 . 15330 1 389 . 1 1 54 54 LYS HB3 H 1 1.810 0.05 . 2 . . . . 54 LYS HB2 . 15330 1 390 . 1 1 54 54 LYS HD2 H 1 1.536 0.05 . 2 . . . . 54 LYS HD1 . 15330 1 391 . 1 1 54 54 LYS HD3 H 1 1.604 0.05 . 2 . . . . 54 LYS HD2 . 15330 1 392 . 1 1 54 54 LYS HE2 H 1 2.815 0.05 . 2 . . . . 54 LYS HE1 . 15330 1 393 . 1 1 54 54 LYS HG2 H 1 1.125 0.05 . 2 . . . . 54 LYS HG1 . 15330 1 394 . 1 1 54 54 LYS HG3 H 1 1.703 0.05 . 2 . . . . 54 LYS HG2 . 15330 1 395 . 1 1 54 54 LYS CA C 13 60.379 0.5 . 1 . . . . 54 LYS CA . 15330 1 396 . 1 1 54 54 LYS CB C 13 32.093 0.5 . 1 . . . . 54 LYS CB . 15330 1 397 . 1 1 54 54 LYS CD C 13 29.040 0.5 . 1 . . . . 54 LYS CD . 15330 1 398 . 1 1 54 54 LYS CE C 13 42.355 0.5 . 1 . . . . 54 LYS CE . 15330 1 399 . 1 1 54 54 LYS CG C 13 29.050 0.5 . 1 . . . . 54 LYS CG . 15330 1 400 . 1 1 54 54 LYS N N 15 117.499 0.5 . 1 . . . . 54 LYS N . 15330 1 401 . 1 1 55 55 LYS H H 1 7.300 0.05 . 1 . . . . 55 LYS HN . 15330 1 402 . 1 1 55 55 LYS HA H 1 4.028 0.05 . 1 . . . . 55 LYS HA . 15330 1 403 . 1 1 55 55 LYS HB2 H 1 1.791 0.05 . 2 . . . . 55 LYS HB1 . 15330 1 404 . 1 1 55 55 LYS HB3 H 1 1.831 0.05 . 2 . . . . 55 LYS HB2 . 15330 1 405 . 1 1 55 55 LYS HD2 H 1 1.572 0.05 . 2 . . . . 55 LYS HD1 . 15330 1 406 . 1 1 55 55 LYS HE2 H 1 2.809 0.05 . 2 . . . . 55 LYS HE1 . 15330 1 407 . 1 1 55 55 LYS HG2 H 1 1.246 0.05 . 2 . . . . 55 LYS HG1 . 15330 1 408 . 1 1 55 55 LYS HG3 H 1 1.472 0.05 . 2 . . . . 55 LYS HG2 . 15330 1 409 . 1 1 55 55 LYS CA C 13 59.571 0.5 . 1 . . . . 55 LYS CA . 15330 1 410 . 1 1 55 55 LYS CB C 13 32.647 0.5 . 1 . . . . 55 LYS CB . 15330 1 411 . 1 1 55 55 LYS CD C 13 29.277 0.5 . 1 . . . . 55 LYS CD . 15330 1 412 . 1 1 55 55 LYS CG C 13 24.853 0.5 . 1 . . . . 55 LYS CG . 15330 1 413 . 1 1 55 55 LYS N N 15 120.213 0.5 . 1 . . . . 55 LYS N . 15330 1 414 . 1 1 56 56 LEU H H 1 8.074 0.05 . 1 . . . . 56 LEU HN . 15330 1 415 . 1 1 56 56 LEU HA H 1 3.848 0.05 . 1 . . . . 56 LEU HA . 15330 1 416 . 1 1 56 56 LEU HB2 H 1 0.492 0.05 . 2 . . . . 56 LEU HB1 . 15330 1 417 . 1 1 56 56 LEU HB3 H 1 1.037 0.05 . 2 . . . . 56 LEU HB2 . 15330 1 418 . 1 1 56 56 LEU HD11 H 1 0.591 0.05 . 4 . . . . 56 LEU HD1 . 15330 1 419 . 1 1 56 56 LEU HD12 H 1 0.591 0.05 . 4 . . . . 56 LEU HD1 . 15330 1 420 . 1 1 56 56 LEU HD13 H 1 0.591 0.05 . 4 . . . . 56 LEU HD1 . 15330 1 421 . 1 1 56 56 LEU HD21 H 1 0.549 0.05 . 4 . . . . 56 LEU HD2 . 15330 1 422 . 1 1 56 56 LEU HD22 H 1 0.549 0.05 . 4 . . . . 56 LEU HD2 . 15330 1 423 . 1 1 56 56 LEU HD23 H 1 0.549 0.05 . 4 . . . . 56 LEU HD2 . 15330 1 424 . 1 1 56 56 LEU HG H 1 1.253 0.05 . 1 . . . . 56 LEU HG . 15330 1 425 . 1 1 56 56 LEU CA C 13 57.354 0.5 . 1 . . . . 56 LEU CA . 15330 1 426 . 1 1 56 56 LEU CB C 13 41.816 0.5 . 1 . . . . 56 LEU CB . 15330 1 427 . 1 1 56 56 LEU CD1 C 13 25.175 0.5 . 2 . . . . 56 LEU CD1 . 15330 1 428 . 1 1 56 56 LEU CD2 C 13 23.226 0.5 . 2 . . . . 56 LEU CD2 . 15330 1 429 . 1 1 56 56 LEU CG C 13 26.517 0.5 . 1 . . . . 56 LEU CG . 15330 1 430 . 1 1 56 56 LEU N N 15 119.719 0.5 . 1 . . . . 56 LEU N . 15330 1 431 . 1 1 57 57 PHE H H 1 8.054 0.05 . 1 . . . . 57 PHE HN . 15330 1 432 . 1 1 57 57 PHE HA H 1 4.979 0.05 . 1 . . . . 57 PHE HA . 15330 1 433 . 1 1 57 57 PHE HB2 H 1 2.959 0.05 . 2 . . . . 57 PHE HB1 . 15330 1 434 . 1 1 57 57 PHE HB3 H 1 3.083 0.05 . 2 . . . . 57 PHE HB2 . 15330 1 435 . 1 1 57 57 PHE HD1 H 1 7.274 0.05 . 1 . . . . 57 PHE HD1 . 15330 1 436 . 1 1 57 57 PHE HE1 H 1 7.023 0.05 . 1 . . . . 57 PHE HE1 . 15330 1 437 . 1 1 57 57 PHE CA C 13 56.470 0.5 . 1 . . . . 57 PHE CA . 15330 1 438 . 1 1 57 57 PHE CB C 13 37.916 0.5 . 1 . . . . 57 PHE CB . 15330 1 439 . 1 1 57 57 PHE N N 15 113.798 0.5 . 1 . . . . 57 PHE N . 15330 1 440 . 1 1 58 58 HIS H H 1 7.523 0.05 . 1 . . . . 58 HIS HN . 15330 1 441 . 1 1 58 58 HIS HA H 1 4.448 0.05 . 1 . . . . 58 HIS HA . 15330 1 442 . 1 1 58 58 HIS HB2 H 1 3.460 0.05 . 1 . . . . 58 HIS HB1 . 15330 1 443 . 1 1 58 58 HIS HD2 H 1 7.321 0.05 . 1 . . . . 58 HIS HD2 . 15330 1 444 . 1 1 58 58 HIS CA C 13 59.037 0.5 . 1 . . . . 58 HIS CA . 15330 1 445 . 1 1 58 58 HIS CB C 13 27.942 0.5 . 1 . . . . 58 HIS CB . 15330 1 446 . 1 1 58 58 HIS N N 15 116.758 0.5 . 1 . . . . 58 HIS N . 15330 1 447 . 1 1 59 59 THR H H 1 7.674 0.05 . 1 . . . . 59 THR HN . 15330 1 448 . 1 1 59 59 THR HA H 1 4.085 0.05 . 1 . . . . 59 THR HA . 15330 1 449 . 1 1 59 59 THR HB H 1 4.322 0.05 . 1 . . . . 59 THR HB . 15330 1 450 . 1 1 59 59 THR HG21 H 1 0.831 0.05 . 1 . . . . 59 THR HG2 . 15330 1 451 . 1 1 59 59 THR HG22 H 1 0.831 0.05 . 1 . . . . 59 THR HG2 . 15330 1 452 . 1 1 59 59 THR HG23 H 1 0.831 0.05 . 1 . . . . 59 THR HG2 . 15330 1 453 . 1 1 59 59 THR CA C 13 62.033 0.5 . 1 . . . . 59 THR CA . 15330 1 454 . 1 1 59 59 THR CB C 13 68.425 0.5 . 1 . . . . 59 THR CB . 15330 1 455 . 1 1 59 59 THR CG2 C 13 21.520 0.5 . 1 . . . . 59 THR CG2 . 15330 1 456 . 1 1 59 59 THR N N 15 108.123 0.5 . 1 . . . . 59 THR N . 15330 1 457 . 1 1 60 60 ILE H H 1 7.500 0.05 . 1 . . . . 60 ILE HN . 15330 1 458 . 1 1 60 60 ILE HA H 1 4.463 0.05 . 1 . . . . 60 ILE HA . 15330 1 459 . 1 1 60 60 ILE HB H 1 1.966 0.05 . 1 . . . . 60 ILE HB . 15330 1 460 . 1 1 60 60 ILE HD11 H 1 0.800 0.05 . 1 . . . . 60 ILE HD1 . 15330 1 461 . 1 1 60 60 ILE HD12 H 1 0.800 0.05 . 1 . . . . 60 ILE HD1 . 15330 1 462 . 1 1 60 60 ILE HD13 H 1 0.800 0.05 . 1 . . . . 60 ILE HD1 . 15330 1 463 . 1 1 60 60 ILE HG12 H 1 1.320 0.05 . 9 . . . . 60 ILE HG11 . 15330 1 464 . 1 1 60 60 ILE HG13 H 1 1.471 0.05 . 9 . . . . 60 ILE HG12 . 15330 1 465 . 1 1 60 60 ILE HG21 H 1 0.774 0.05 . 4 . . . . 60 ILE HG2 . 15330 1 466 . 1 1 60 60 ILE HG22 H 1 0.774 0.05 . 4 . . . . 60 ILE HG2 . 15330 1 467 . 1 1 60 60 ILE HG23 H 1 0.774 0.05 . 4 . . . . 60 ILE HG2 . 15330 1 468 . 1 1 60 60 ILE CA C 13 58.167 0.5 . 1 . . . . 60 ILE CA . 15330 1 469 . 1 1 60 60 ILE CB C 13 38.745 0.5 . 1 . . . . 60 ILE CB . 15330 1 470 . 1 1 60 60 ILE CD1 C 13 12.948 0.5 . 1 . . . . 60 ILE CD1 . 15330 1 471 . 1 1 60 60 ILE CG1 C 13 27.355 0.5 . 1 . . . . 60 ILE CG1 . 15330 1 472 . 1 1 60 60 ILE CG2 C 13 16.555 0.5 . 1 . . . . 60 ILE CG2 . 15330 1 473 . 1 1 60 60 ILE N N 15 124.160 0.5 . 1 . . . . 60 ILE N . 15330 1 474 . 1 1 61 61 PRO HA H 1 4.105 0.05 . 1 . . . . 61 PRO HA . 15330 1 475 . 1 1 61 61 PRO HB2 H 1 1.756 0.05 . 2 . . . . 61 PRO HB1 . 15330 1 476 . 1 1 61 61 PRO HB3 H 1 2.072 0.05 . 2 . . . . 61 PRO HB2 . 15330 1 477 . 1 1 61 61 PRO HD2 H 1 3.597 0.05 . 2 . . . . 61 PRO HD1 . 15330 1 478 . 1 1 61 61 PRO HD3 H 1 3.870 0.05 . 2 . . . . 61 PRO HD2 . 15330 1 479 . 1 1 61 61 PRO HG2 H 1 1.915 0.05 . 2 . . . . 61 PRO HG1 . 15330 1 480 . 1 1 61 61 PRO HG3 H 1 2.066 0.05 . 2 . . . . 61 PRO HG2 . 15330 1 481 . 1 1 61 61 PRO CA C 13 64.800 0.5 . 1 . . . . 61 PRO CA . 15330 1 482 . 1 1 61 61 PRO CB C 13 31.271 0.5 . 1 . . . . 61 PRO CB . 15330 1 483 . 1 1 61 61 PRO CD C 13 51.236 0.5 . 1 . . . . 61 PRO CD . 15330 1 484 . 1 1 61 61 PRO CG C 13 27.952 0.5 . 1 . . . . 61 PRO CG . 15330 1 485 . 1 1 62 62 PHE HA H 1 4.558 0.05 . 1 . . . . 62 PHE HA . 15330 1 486 . 1 1 62 62 PHE HB2 H 1 3.274 0.05 . 2 . . . . 62 PHE HB1 . 15330 1 487 . 1 1 62 62 PHE HB3 H 1 3.316 0.05 . 2 . . . . 62 PHE HB2 . 15330 1 488 . 1 1 62 62 PHE CA C 13 58.476 0.5 . 1 . . . . 62 PHE CA . 15330 1 489 . 1 1 62 62 PHE CB C 13 37.121 0.5 . 1 . . . . 62 PHE CB . 15330 1 490 . 1 1 63 63 GLY H H 1 8.584 0.05 . 1 . . . . 63 GLY HN . 15330 1 491 . 1 1 63 63 GLY HA2 H 1 4.070 0.05 . 2 . . . . 63 GLY HA1 . 15330 1 492 . 1 1 63 63 GLY HA3 H 1 3.341 0.05 . 2 . . . . 63 GLY HA2 . 15330 1 493 . 1 1 63 63 GLY CA C 13 47.897 0.5 . 1 . . . . 63 GLY CA . 15330 1 494 . 1 1 63 63 GLY N N 15 110.837 0.5 . 1 . . . . 63 GLY N . 15330 1 495 . 1 1 64 64 THR H H 1 8.538 0.05 . 1 . . . . 64 THR HN . 15330 1 496 . 1 1 64 64 THR HA H 1 4.204 0.05 . 1 . . . . 64 THR HA . 15330 1 497 . 1 1 64 64 THR HB H 1 3.613 0.05 . 1 . . . . 64 THR HB . 15330 1 498 . 1 1 64 64 THR HG21 H 1 1.246 0.05 . 1 . . . . 64 THR HG2 . 15330 1 499 . 1 1 64 64 THR HG22 H 1 1.246 0.05 . 1 . . . . 64 THR HG2 . 15330 1 500 . 1 1 64 64 THR HG23 H 1 1.246 0.05 . 1 . . . . 64 THR HG2 . 15330 1 501 . 1 1 64 64 THR CA C 13 67.646 0.5 . 1 . . . . 64 THR CA . 15330 1 502 . 1 1 64 64 THR CB C 13 67.349 0.5 . 1 . . . . 64 THR CB . 15330 1 503 . 1 1 64 64 THR CG2 C 13 22.105 0.5 . 1 . . . . 64 THR CG2 . 15330 1 504 . 1 1 64 64 THR N N 15 114.538 0.5 . 1 . . . . 64 THR N . 15330 1 505 . 1 1 65 65 ARG H H 1 7.534 0.05 . 1 . . . . 65 ARG HN . 15330 1 506 . 1 1 65 65 ARG HA H 1 4.178 0.05 . 1 . . . . 65 ARG HA . 15330 1 507 . 1 1 65 65 ARG HB2 H 1 1.910 0.05 . 2 . . . . 65 ARG HB1 . 15330 1 508 . 1 1 65 65 ARG HB3 H 1 1.974 0.05 . 2 . . . . 65 ARG HB2 . 15330 1 509 . 1 1 65 65 ARG HD2 H 1 3.144 0.05 . 2 . . . . 65 ARG HD1 . 15330 1 510 . 1 1 65 65 ARG HD3 H 1 3.133 0.05 . 2 . . . . 65 ARG HD2 . 15330 1 511 . 1 1 65 65 ARG HG2 H 1 1.719 0.05 . 2 . . . . 65 ARG HG1 . 15330 1 512 . 1 1 65 65 ARG HG3 H 1 1.492 0.05 . 2 . . . . 65 ARG HG2 . 15330 1 513 . 1 1 65 65 ARG CA C 13 55.799 0.5 . 1 . . . . 65 ARG CA . 15330 1 514 . 1 1 65 65 ARG CB C 13 30.146 0.5 . 1 . . . . 65 ARG CB . 15330 1 515 . 1 1 65 65 ARG CD C 13 43.734 0.5 . 1 . . . . 65 ARG CD . 15330 1 516 . 1 1 65 65 ARG CG C 13 26.789 0.5 . 1 . . . . 65 ARG CG . 15330 1 517 . 1 1 65 65 ARG N N 15 121.940 0.5 . 1 . . . . 65 ARG N . 15330 1 518 . 1 1 66 66 GLU H H 1 8.427 0.05 . 1 . . . . 66 GLU HN . 15330 1 519 . 1 1 66 66 GLU HA H 1 4.265 0.05 . 1 . . . . 66 GLU HA . 15330 1 520 . 1 1 66 66 GLU HB2 H 1 2.075 0.05 . 2 . . . . 66 GLU HB1 . 15330 1 521 . 1 1 66 66 GLU HB3 H 1 2.100 0.05 . 2 . . . . 66 GLU HB2 . 15330 1 522 . 1 1 66 66 GLU HG2 H 1 2.334 0.05 . 2 . . . . 66 GLU HG1 . 15330 1 523 . 1 1 66 66 GLU HG3 H 1 2.454 0.05 . 2 . . . . 66 GLU HG2 . 15330 1 524 . 1 1 66 66 GLU CA C 13 58.981 0.5 . 1 . . . . 66 GLU CA . 15330 1 525 . 1 1 66 66 GLU CB C 13 28.477 0.5 . 1 . . . . 66 GLU CB . 15330 1 526 . 1 1 66 66 GLU CG C 13 36.257 0.5 . 1 . . . . 66 GLU CG . 15330 1 527 . 1 1 66 66 GLU N N 15 120.459 0.5 . 1 . . . . 66 GLU N . 15330 1 528 . 1 1 67 67 CYS H H 1 8.467 0.05 . 1 . . . . 67 CYS HN . 15330 1 529 . 1 1 67 67 CYS HA H 1 4.619 0.05 . 1 . . . . 67 CYS HA . 15330 1 530 . 1 1 67 67 CYS HB2 H 1 3.099 0.05 . 2 . . . . 67 CYS HB1 . 15330 1 531 . 1 1 67 67 CYS HB3 H 1 3.151 0.05 . 2 . . . . 67 CYS HB2 . 15330 1 532 . 1 1 67 67 CYS CA C 13 59.277 0.5 . 1 . . . . 67 CYS CA . 15330 1 533 . 1 1 67 67 CYS CB C 13 39.315 0.5 . 1 . . . . 67 CYS CB . 15330 1 534 . 1 1 67 67 CYS N N 15 121.446 0.5 . 1 . . . . 67 CYS N . 15330 1 535 . 1 1 68 68 ASP H H 1 8.002 0.05 . 1 . . . . 68 ASP HN . 15330 1 536 . 1 1 68 68 ASP HA H 1 4.514 0.05 . 1 . . . . 68 ASP HA . 15330 1 537 . 1 1 68 68 ASP HB2 H 1 2.684 0.05 . 2 . . . . 68 ASP HB1 . 15330 1 538 . 1 1 68 68 ASP HB3 H 1 2.810 0.05 . 2 . . . . 68 ASP HB2 . 15330 1 539 . 1 1 68 68 ASP CA C 13 57.902 0.5 . 1 . . . . 68 ASP CA . 15330 1 540 . 1 1 68 68 ASP CB C 13 40.393 0.5 . 1 . . . . 68 ASP CB . 15330 1 541 . 1 1 68 68 ASP N N 15 120.459 0.5 . 1 . . . . 68 ASP N . 15330 1 542 . 1 1 69 69 HIS H H 1 8.564 0.05 . 1 . . . . 69 HIS HN . 15330 1 543 . 1 1 69 69 HIS HA H 1 4.510 0.05 . 1 . . . . 69 HIS HA . 15330 1 544 . 1 1 69 69 HIS HB2 H 1 3.375 0.05 . 2 . . . . 69 HIS HB1 . 15330 1 545 . 1 1 69 69 HIS HB3 H 1 3.400 0.05 . 2 . . . . 69 HIS HB2 . 15330 1 546 . 1 1 69 69 HIS CA C 13 58.127 0.5 . 1 . . . . 69 HIS CA . 15330 1 547 . 1 1 69 69 HIS CB C 13 28.480 0.5 . 1 . . . . 69 HIS CB . 15330 1 548 . 1 1 69 69 HIS N N 15 118.732 0.5 . 1 . . . . 69 HIS N . 15330 1 549 . 1 1 70 70 TYR H H 1 8.765 0.05 . 1 . . . . 70 TYR HN . 15330 1 550 . 1 1 70 70 TYR HA H 1 3.706 0.05 . 1 . . . . 70 TYR HA . 15330 1 551 . 1 1 70 70 TYR HB2 H 1 3.460 0.05 . 2 . . . . 70 TYR HB1 . 15330 1 552 . 1 1 70 70 TYR HB3 H 1 3.205 0.05 . 2 . . . . 70 TYR HB2 . 15330 1 553 . 1 1 70 70 TYR HD1 H 1 7.589 0.05 . 1 . . . . 70 TYR HD1 . 15330 1 554 . 1 1 70 70 TYR CA C 13 63.989 0.5 . 1 . . . . 70 TYR CA . 15330 1 555 . 1 1 70 70 TYR CB C 13 40.145 0.5 . 1 . . . . 70 TYR CB . 15330 1 556 . 1 1 70 70 TYR N N 15 125.887 0.5 . 1 . . . . 70 TYR N . 15330 1 557 . 1 1 71 71 VAL H H 1 8.295 0.05 . 1 . . . . 71 VAL HN . 15330 1 558 . 1 1 71 71 VAL HA H 1 3.554 0.05 . 1 . . . . 71 VAL HA . 15330 1 559 . 1 1 71 71 VAL HB H 1 2.459 0.05 . 1 . . . . 71 VAL HB . 15330 1 560 . 1 1 71 71 VAL HG11 H 1 1.448 0.05 . 4 . . . . 71 VAL HG1 . 15330 1 561 . 1 1 71 71 VAL HG12 H 1 1.448 0.05 . 4 . . . . 71 VAL HG1 . 15330 1 562 . 1 1 71 71 VAL HG13 H 1 1.448 0.05 . 4 . . . . 71 VAL HG1 . 15330 1 563 . 1 1 71 71 VAL HG21 H 1 1.024 0.05 . 4 . . . . 71 VAL HG2 . 15330 1 564 . 1 1 71 71 VAL HG22 H 1 1.024 0.05 . 4 . . . . 71 VAL HG2 . 15330 1 565 . 1 1 71 71 VAL HG23 H 1 1.024 0.05 . 4 . . . . 71 VAL HG2 . 15330 1 566 . 1 1 71 71 VAL CA C 13 67.021 0.5 . 1 . . . . 71 VAL CA . 15330 1 567 . 1 1 71 71 VAL CB C 13 32.084 0.5 . 1 . . . . 71 VAL CB . 15330 1 568 . 1 1 71 71 VAL CG1 C 13 24.287 0.5 . 2 . . . . 71 VAL CG1 . 15330 1 569 . 1 1 71 71 VAL CG2 C 13 21.555 0.5 . 2 . . . . 71 VAL CG2 . 15330 1 570 . 1 1 71 71 VAL N N 15 118.239 0.5 . 1 . . . . 71 VAL N . 15330 1 571 . 1 1 72 72 ASN H H 1 7.511 0.05 . 1 . . . . 72 ASN HN . 15330 1 572 . 1 1 72 72 ASN HA H 1 4.558 0.05 . 1 . . . . 72 ASN HA . 15330 1 573 . 1 1 72 72 ASN HB2 H 1 2.776 0.05 . 2 . . . . 72 ASN HB1 . 15330 1 574 . 1 1 72 72 ASN HB3 H 1 2.801 0.05 . 2 . . . . 72 ASN HB2 . 15330 1 575 . 1 1 72 72 ASN CA C 13 55.116 0.5 . 1 . . . . 72 ASN CA . 15330 1 576 . 1 1 72 72 ASN CB C 13 39.569 0.5 . 1 . . . . 72 ASN CB . 15330 1 577 . 1 1 72 72 ASN N N 15 116.018 0.5 . 1 . . . . 72 ASN N . 15330 1 578 . 1 1 73 73 SER H H 1 7.709 0.05 . 1 . . . . 73 SER HN . 15330 1 579 . 1 1 73 73 SER HA H 1 4.633 0.05 . 1 . . . . 73 SER HA . 15330 1 580 . 1 1 73 73 SER HB2 H 1 3.548 0.05 . 2 . . . . 73 SER HB1 . 15330 1 581 . 1 1 73 73 SER HB3 H 1 3.450 0.05 . 2 . . . . 73 SER HB2 . 15330 1 582 . 1 1 73 73 SER CA C 13 59.832 0.5 . 1 . . . . 73 SER CA . 15330 1 583 . 1 1 73 73 SER CB C 13 65.899 0.5 . 1 . . . . 73 SER CB . 15330 1 584 . 1 1 73 73 SER N N 15 110.837 0.5 . 1 . . . . 73 SER N . 15330 1 585 . 1 1 74 74 LYS H H 1 7.942 0.05 . 1 . . . . 74 LYS HN . 15330 1 586 . 1 1 74 74 LYS HA H 1 4.280 0.05 . 1 . . . . 74 LYS HA . 15330 1 587 . 1 1 74 74 LYS HB2 H 1 0.134 0.05 . 2 . . . . 74 LYS HB1 . 15330 1 588 . 1 1 74 74 LYS HB3 H 1 0.860 0.05 . 2 . . . . 74 LYS HB2 . 15330 1 589 . 1 1 74 74 LYS HD2 H 1 1.221 0.05 . 2 . . . . 74 LYS HD1 . 15330 1 590 . 1 1 74 74 LYS HD3 H 1 1.398 0.05 . 2 . . . . 74 LYS HD2 . 15330 1 591 . 1 1 74 74 LYS HE2 H 1 2.799 0.05 . 2 . . . . 74 LYS HE1 . 15330 1 592 . 1 1 74 74 LYS HG2 H 1 0.743 0.05 . 2 . . . . 74 LYS HG1 . 15330 1 593 . 1 1 74 74 LYS HG3 H 1 0.990 0.05 . 2 . . . . 74 LYS HG2 . 15330 1 594 . 1 1 74 74 LYS CA C 13 55.124 0.5 . 1 . . . . 74 LYS CA . 15330 1 595 . 1 1 74 74 LYS CB C 13 33.198 0.5 . 1 . . . . 74 LYS CB . 15330 1 596 . 1 1 74 74 LYS CD C 13 27.660 0.5 . 1 . . . . 74 LYS CD . 15330 1 597 . 1 1 74 74 LYS CE C 13 42.080 0.5 . 1 . . . . 74 LYS CE . 15330 1 598 . 1 1 74 74 LYS CG C 13 24.338 0.5 . 1 . . . . 74 LYS CG . 15330 1 599 . 1 1 74 74 LYS N N 15 120.706 0.5 . 1 . . . . 74 LYS N . 15330 1 600 . 1 1 75 75 VAL H H 1 7.227 0.05 . 1 . . . . 75 VAL HN . 15330 1 601 . 1 1 75 75 VAL HA H 1 3.315 0.05 . 1 . . . . 75 VAL HA . 15330 1 602 . 1 1 75 75 VAL HB H 1 1.870 0.05 . 1 . . . . 75 VAL HB . 15330 1 603 . 1 1 75 75 VAL HG11 H 1 0.751 0.05 . 4 . . . . 75 VAL HG1 . 15330 1 604 . 1 1 75 75 VAL HG12 H 1 0.751 0.05 . 4 . . . . 75 VAL HG1 . 15330 1 605 . 1 1 75 75 VAL HG13 H 1 0.751 0.05 . 4 . . . . 75 VAL HG1 . 15330 1 606 . 1 1 75 75 VAL HG21 H 1 0.650 0.05 . 4 . . . . 75 VAL HG2 . 15330 1 607 . 1 1 75 75 VAL HG22 H 1 0.650 0.05 . 4 . . . . 75 VAL HG2 . 15330 1 608 . 1 1 75 75 VAL HG23 H 1 0.650 0.05 . 4 . . . . 75 VAL HG2 . 15330 1 609 . 1 1 75 75 VAL CA C 13 67.599 0.5 . 1 . . . . 75 VAL CA . 15330 1 610 . 1 1 75 75 VAL CB C 13 31.540 0.5 . 1 . . . . 75 VAL CB . 15330 1 611 . 1 1 75 75 VAL CG1 C 13 22.387 0.5 . 2 . . . . 75 VAL CG1 . 15330 1 612 . 1 1 75 75 VAL CG2 C 13 25.141 0.5 . 2 . . . . 75 VAL CG2 . 15330 1 613 . 1 1 75 75 VAL N N 15 120.147 0.5 . 1 . . . . 75 VAL N . 15330 1 614 . 1 1 76 76 ASP H H 1 8.851 0.05 . 1 . . . . 76 ASP HN . 15330 1 615 . 1 1 76 76 ASP HA H 1 4.402 0.05 . 1 . . . . 76 ASP HA . 15330 1 616 . 1 1 76 76 ASP HB2 H 1 2.501 0.05 . 2 . . . . 76 ASP HB1 . 15330 1 617 . 1 1 76 76 ASP HB3 H 1 2.332 0.05 . 2 . . . . 76 ASP HB2 . 15330 1 618 . 1 1 76 76 ASP CA C 13 59.568 0.5 . 1 . . . . 76 ASP CA . 15330 1 619 . 1 1 76 76 ASP CB C 13 37.667 0.5 . 1 . . . . 76 ASP CB . 15330 1 620 . 1 1 76 76 ASP N N 15 117.992 0.5 . 1 . . . . 76 ASP N . 15330 1 621 . 1 1 77 77 PRO HA H 1 4.158 0.05 . 1 . . . . 77 PRO HA . 15330 1 622 . 1 1 77 77 PRO HB2 H 1 1.701 0.05 . 2 . . . . 77 PRO HB1 . 15330 1 623 . 1 1 77 77 PRO HB3 H 1 2.239 0.05 . 2 . . . . 77 PRO HB2 . 15330 1 624 . 1 1 77 77 PRO HD2 H 1 3.270 0.05 . 2 . . . . 77 PRO HD1 . 15330 1 625 . 1 1 77 77 PRO HG2 H 1 2.100 0.05 . 2 . . . . 77 PRO HG1 . 15330 1 626 . 1 1 77 77 PRO HG3 H 1 1.866 0.05 . 2 . . . . 77 PRO HG2 . 15330 1 627 . 1 1 77 77 PRO CA C 13 66.237 0.5 . 1 . . . . 77 PRO CA . 15330 1 628 . 1 1 77 77 PRO CB C 13 31.347 0.5 . 1 . . . . 77 PRO CB . 15330 1 629 . 1 1 77 77 PRO CD C 13 49.590 0.5 . 1 . . . . 77 PRO CD . 15330 1 630 . 1 1 77 77 PRO CG C 13 27.660 0.5 . 1 . . . . 77 PRO CG . 15330 1 631 . 1 1 78 78 ILE H H 1 7.243 0.05 . 1 . . . . 78 ILE HN . 15330 1 632 . 1 1 78 78 ILE HA H 1 3.315 0.05 . 1 . . . . 78 ILE HA . 15330 1 633 . 1 1 78 78 ILE HB H 1 1.811 0.05 . 1 . . . . 78 ILE HB . 15330 1 634 . 1 1 78 78 ILE HD11 H 1 0.956 0.05 . 1 . . . . 78 ILE HD1 . 15330 1 635 . 1 1 78 78 ILE HD12 H 1 0.956 0.05 . 1 . . . . 78 ILE HD1 . 15330 1 636 . 1 1 78 78 ILE HD13 H 1 0.956 0.05 . 1 . . . . 78 ILE HD1 . 15330 1 637 . 1 1 78 78 ILE HG12 H 1 0.666 0.05 . 9 . . . . 78 ILE HG11 . 15330 1 638 . 1 1 78 78 ILE HG13 H 1 1.703 0.05 . 9 . . . . 78 ILE HG12 . 15330 1 639 . 1 1 78 78 ILE HG21 H 1 0.616 0.05 . 4 . . . . 78 ILE HG2 . 15330 1 640 . 1 1 78 78 ILE HG22 H 1 0.616 0.05 . 4 . . . . 78 ILE HG2 . 15330 1 641 . 1 1 78 78 ILE HG23 H 1 0.616 0.05 . 4 . . . . 78 ILE HG2 . 15330 1 642 . 1 1 78 78 ILE CA C 13 65.957 0.5 . 1 . . . . 78 ILE CA . 15330 1 643 . 1 1 78 78 ILE CB C 13 38.787 0.5 . 1 . . . . 78 ILE CB . 15330 1 644 . 1 1 78 78 ILE CD1 C 13 16.909 0.5 . 1 . . . . 78 ILE CD1 . 15330 1 645 . 1 1 78 78 ILE CG1 C 13 29.621 0.5 . 1 . . . . 78 ILE CG1 . 15330 1 646 . 1 1 78 78 ILE CG2 C 13 17.681 0.5 . 2 . . . . 78 ILE CG2 . 15330 1 647 . 1 1 78 78 ILE N N 15 119.472 0.5 . 1 . . . . 78 ILE N . 15330 1 648 . 1 1 79 79 ILE H H 1 8.180 0.05 . 1 . . . . 79 ILE HN . 15330 1 649 . 1 1 79 79 ILE HA H 1 3.218 0.05 . 1 . . . . 79 ILE HA . 15330 1 650 . 1 1 79 79 ILE HB H 1 1.938 0.05 . 1 . . . . 79 ILE HB . 15330 1 651 . 1 1 79 79 ILE HD11 H 1 0.805 0.05 . 1 . . . . 79 ILE HD1 . 15330 1 652 . 1 1 79 79 ILE HD12 H 1 0.805 0.05 . 1 . . . . 79 ILE HD1 . 15330 1 653 . 1 1 79 79 ILE HD13 H 1 0.805 0.05 . 1 . . . . 79 ILE HD1 . 15330 1 654 . 1 1 79 79 ILE HG12 H 1 0.905 0.05 . 9 . . . . 79 ILE HG11 . 15330 1 655 . 1 1 79 79 ILE HG13 H 1 1.706 0.05 . 9 . . . . 79 ILE HG12 . 15330 1 656 . 1 1 79 79 ILE HG21 H 1 0.892 0.05 . 4 . . . . 79 ILE HG2 . 15330 1 657 . 1 1 79 79 ILE HG22 H 1 0.892 0.05 . 4 . . . . 79 ILE HG2 . 15330 1 658 . 1 1 79 79 ILE HG23 H 1 0.892 0.05 . 4 . . . . 79 ILE HG2 . 15330 1 659 . 1 1 79 79 ILE CA C 13 65.939 0.5 . 1 . . . . 79 ILE CA . 15330 1 660 . 1 1 79 79 ILE CB C 13 37.344 0.5 . 1 . . . . 79 ILE CB . 15330 1 661 . 1 1 79 79 ILE CD1 C 13 13.784 0.5 . 1 . . . . 79 ILE CD1 . 15330 1 662 . 1 1 79 79 ILE CG1 C 13 29.067 0.5 . 1 . . . . 79 ILE CG1 . 15330 1 663 . 1 1 79 79 ILE CG2 C 13 17.116 0.5 . 1 . . . . 79 ILE CG2 . 15330 1 664 . 1 1 79 79 ILE N N 15 119.472 0.5 . 1 . . . . 79 ILE N . 15330 1 665 . 1 1 80 80 HIS H H 1 8.671 0.05 . 1 . . . . 80 HIS HN . 15330 1 666 . 1 1 80 80 HIS HA H 1 4.351 0.05 . 1 . . . . 80 HIS HA . 15330 1 667 . 1 1 80 80 HIS HB2 H 1 3.197 0.05 . 2 . . . . 80 HIS HB1 . 15330 1 668 . 1 1 80 80 HIS HB3 H 1 3.216 0.05 . 2 . . . . 80 HIS HB2 . 15330 1 669 . 1 1 80 80 HIS HD2 H 1 7.731 0.05 . 1 . . . . 80 HIS HD2 . 15330 1 670 . 1 1 80 80 HIS HE1 H 1 7.205 0.05 . 1 . . . . 80 HIS HE1 . 15330 1 671 . 1 1 80 80 HIS CA C 13 58.731 0.5 . 1 . . . . 80 HIS CA . 15330 1 672 . 1 1 80 80 HIS CB C 13 27.913 0.5 . 1 . . . . 80 HIS CB . 15330 1 673 . 1 1 80 80 HIS N N 15 117.252 0.5 . 1 . . . . 80 HIS N . 15330 1 674 . 1 1 81 81 GLU H H 1 7.720 0.05 . 1 . . . . 81 GLU HN . 15330 1 675 . 1 1 81 81 GLU HA H 1 3.852 0.05 . 1 . . . . 81 GLU HA . 15330 1 676 . 1 1 81 81 GLU HB2 H 1 1.922 0.05 . 2 . . . . 81 GLU HB1 . 15330 1 677 . 1 1 81 81 GLU HB3 H 1 2.164 0.05 . 2 . . . . 81 GLU HB2 . 15330 1 678 . 1 1 81 81 GLU HG2 H 1 2.037 0.05 . 2 . . . . 81 GLU HG1 . 15330 1 679 . 1 1 81 81 GLU HG3 H 1 2.335 0.05 . 2 . . . . 81 GLU HG2 . 15330 1 680 . 1 1 81 81 GLU CA C 13 58.752 0.5 . 1 . . . . 81 GLU CA . 15330 1 681 . 1 1 81 81 GLU CB C 13 29.862 0.5 . 1 . . . . 81 GLU CB . 15330 1 682 . 1 1 81 81 GLU CG C 13 36.247 0.5 . 1 . . . . 81 GLU CG . 15330 1 683 . 1 1 81 81 GLU N N 15 120.459 0.5 . 1 . . . . 81 GLU N . 15330 1 684 . 1 1 82 82 LEU H H 1 7.760 0.05 . 1 . . . . 82 LEU HN . 15330 1 685 . 1 1 82 82 LEU HA H 1 3.957 0.05 . 1 . . . . 82 LEU HA . 15330 1 686 . 1 1 82 82 LEU HB2 H 1 0.798 0.05 . 2 . . . . 82 LEU HB1 . 15330 1 687 . 1 1 82 82 LEU HB3 H 1 1.347 0.05 . 2 . . . . 82 LEU HB2 . 15330 1 688 . 1 1 82 82 LEU HD11 H 1 0.354 0.05 . 4 . . . . 82 LEU HD1 . 15330 1 689 . 1 1 82 82 LEU HD12 H 1 0.354 0.05 . 4 . . . . 82 LEU HD1 . 15330 1 690 . 1 1 82 82 LEU HD13 H 1 0.354 0.05 . 4 . . . . 82 LEU HD1 . 15330 1 691 . 1 1 82 82 LEU HD21 H 1 0.609 0.05 . 4 . . . . 82 LEU HD2 . 15330 1 692 . 1 1 82 82 LEU HD22 H 1 0.609 0.05 . 4 . . . . 82 LEU HD2 . 15330 1 693 . 1 1 82 82 LEU HD23 H 1 0.609 0.05 . 4 . . . . 82 LEU HD2 . 15330 1 694 . 1 1 82 82 LEU HG H 1 1.481 0.05 . 1 . . . . 82 LEU HG . 15330 1 695 . 1 1 82 82 LEU CA C 13 57.607 0.5 . 1 . . . . 82 LEU CA . 15330 1 696 . 1 1 82 82 LEU CB C 13 41.225 0.5 . 1 . . . . 82 LEU CB . 15330 1 697 . 1 1 82 82 LEU CD1 C 13 26.558 0.5 . 2 . . . . 82 LEU CD1 . 15330 1 698 . 1 1 82 82 LEU CD2 C 13 23.772 0.5 . 2 . . . . 82 LEU CD2 . 15330 1 699 . 1 1 82 82 LEU CG C 13 27.102 0.5 . 1 . . . . 82 LEU CG . 15330 1 700 . 1 1 82 82 LEU N N 15 121.199 0.5 . 1 . . . . 82 LEU N . 15330 1 701 . 1 1 83 83 GLU H H 1 8.885 0.05 . 1 . . . . 83 GLU HN . 15330 1 702 . 1 1 83 83 GLU HA H 1 3.975 0.05 . 1 . . . . 83 GLU HA . 15330 1 703 . 1 1 83 83 GLU HB2 H 1 1.978 0.05 . 2 . . . . 83 GLU HB1 . 15330 1 704 . 1 1 83 83 GLU HB3 H 1 2.114 0.05 . 2 . . . . 83 GLU HB2 . 15330 1 705 . 1 1 83 83 GLU HG2 H 1 2.520 0.05 . 2 . . . . 83 GLU HG1 . 15330 1 706 . 1 1 83 83 GLU HG3 H 1 2.381 0.05 . 2 . . . . 83 GLU HG2 . 15330 1 707 . 1 1 83 83 GLU CA C 13 58.691 0.5 . 1 . . . . 83 GLU CA . 15330 1 708 . 1 1 83 83 GLU CB C 13 29.311 0.5 . 1 . . . . 83 GLU CB . 15330 1 709 . 1 1 83 83 GLU CG C 13 36.489 0.5 . 1 . . . . 83 GLU CG . 15330 1 710 . 1 1 83 83 GLU N N 15 121.199 0.5 . 1 . . . . 83 GLU N . 15330 1 711 . 1 1 84 84 GLY H H 1 7.496 0.05 . 1 . . . . 84 GLY HN . 15330 1 712 . 1 1 84 84 GLY HA2 H 1 4.085 0.05 . 2 . . . . 84 GLY HA1 . 15330 1 713 . 1 1 84 84 GLY HA3 H 1 3.768 0.05 . 2 . . . . 84 GLY HA2 . 15330 1 714 . 1 1 84 84 GLY CA C 13 45.046 0.5 . 1 . . . . 84 GLY CA . 15330 1 715 . 1 1 84 84 GLY N N 15 105.656 0.5 . 1 . . . . 84 GLY N . 15330 1 716 . 1 1 85 85 GLY H H 1 7.473 0.05 . 1 . . . . 85 GLY HN . 15330 1 717 . 1 1 85 85 GLY HA2 H 1 4.367 0.05 . 2 . . . . 85 GLY HA1 . 15330 1 718 . 1 1 85 85 GLY HA3 H 1 3.623 0.05 . 2 . . . . 85 GLY HA2 . 15330 1 719 . 1 1 85 85 GLY CA C 13 44.875 0.5 . 1 . . . . 85 GLY CA . 15330 1 720 . 1 1 85 85 GLY N N 15 106.396 0.5 . 1 . . . . 85 GLY N . 15330 1 721 . 1 1 86 86 THR H H 1 7.672 0.05 . 1 . . . . 86 THR HN . 15330 1 722 . 1 1 86 86 THR HA H 1 3.900 0.05 . 1 . . . . 86 THR HA . 15330 1 723 . 1 1 86 86 THR HB H 1 3.588 0.05 . 1 . . . . 86 THR HB . 15330 1 724 . 1 1 86 86 THR HG21 H 1 1.166 0.05 . 1 . . . . 86 THR HG2 . 15330 1 725 . 1 1 86 86 THR HG22 H 1 1.166 0.05 . 1 . . . . 86 THR HG2 . 15330 1 726 . 1 1 86 86 THR HG23 H 1 1.166 0.05 . 1 . . . . 86 THR HG2 . 15330 1 727 . 1 1 86 86 THR CA C 13 63.478 0.5 . 1 . . . . 86 THR CA . 15330 1 728 . 1 1 86 86 THR CB C 13 68.169 0.5 . 1 . . . . 86 THR CB . 15330 1 729 . 1 1 86 86 THR CG2 C 13 22.660 0.5 . 1 . . . . 86 THR CG2 . 15330 1 730 . 1 1 86 86 THR N N 15 120.706 0.5 . 1 . . . . 86 THR N . 15330 1 731 . 1 1 87 87 ALA H H 1 9.043 0.05 . 1 . . . . 87 ALA HN . 15330 1 732 . 1 1 87 87 ALA HA H 1 4.383 0.05 . 1 . . . . 87 ALA HA . 15330 1 733 . 1 1 87 87 ALA HB1 H 1 1.393 0.05 . 1 . . . . 87 ALA HB . 15330 1 734 . 1 1 87 87 ALA HB2 H 1 1.393 0.05 . 1 . . . . 87 ALA HB . 15330 1 735 . 1 1 87 87 ALA HB3 H 1 1.393 0.05 . 1 . . . . 87 ALA HB . 15330 1 736 . 1 1 87 87 ALA CA C 13 50.940 0.5 . 1 . . . . 87 ALA CA . 15330 1 737 . 1 1 87 87 ALA CB C 13 17.373 0.5 . 1 . . . . 87 ALA CB . 15330 1 738 . 1 1 87 87 ALA N N 15 132.796 0.5 . 1 . . . . 87 ALA N . 15330 1 739 . 1 1 88 88 PRO HA H 1 3.959 0.05 . 1 . . . . 88 PRO HA . 15330 1 740 . 1 1 88 88 PRO HB2 H 1 2.085 0.05 . 2 . . . . 88 PRO HB1 . 15330 1 741 . 1 1 88 88 PRO HB3 H 1 1.921 0.05 . 2 . . . . 88 PRO HB2 . 15330 1 742 . 1 1 88 88 PRO HD2 H 1 3.805 0.05 . 2 . . . . 88 PRO HD1 . 15330 1 743 . 1 1 88 88 PRO HG2 H 1 2.185 0.05 . 2 . . . . 88 PRO HG1 . 15330 1 744 . 1 1 88 88 PRO HG3 H 1 1.873 0.05 . 2 . . . . 88 PRO HG2 . 15330 1 745 . 1 1 88 88 PRO CA C 13 66.206 0.5 . 1 . . . . 88 PRO CA . 15330 1 746 . 1 1 88 88 PRO CB C 13 32.105 0.5 . 1 . . . . 88 PRO CB . 15330 1 747 . 1 1 88 88 PRO CD C 13 50.683 0.5 . 1 . . . . 88 PRO CD . 15330 1 748 . 1 1 88 88 PRO CG C 13 27.665 0.5 . 1 . . . . 88 PRO CG . 15330 1 749 . 1 1 89 89 LYS H H 1 8.127 0.05 . 1 . . . . 89 LYS HN . 15330 1 750 . 1 1 89 89 LYS HA H 1 4.158 0.05 . 1 . . . . 89 LYS HA . 15330 1 751 . 1 1 89 89 LYS HB2 H 1 1.731 0.05 . 2 . . . . 89 LYS HB1 . 15330 1 752 . 1 1 89 89 LYS HB3 H 1 1.781 0.05 . 2 . . . . 89 LYS HB2 . 15330 1 753 . 1 1 89 89 LYS HD2 H 1 1.602 0.05 . 2 . . . . 89 LYS HD1 . 15330 1 754 . 1 1 89 89 LYS HD3 H 1 1.531 0.05 . 2 . . . . 89 LYS HD2 . 15330 1 755 . 1 1 89 89 LYS HE2 H 1 2.902 0.05 . 2 . . . . 89 LYS HE1 . 15330 1 756 . 1 1 89 89 LYS HG2 H 1 1.251 0.05 . 2 . . . . 89 LYS HG1 . 15330 1 757 . 1 1 89 89 LYS HG3 H 1 1.301 0.05 . 2 . . . . 89 LYS HG2 . 15330 1 758 . 1 1 89 89 LYS CA C 13 57.865 0.5 . 1 . . . . 89 LYS CA . 15330 1 759 . 1 1 89 89 LYS CB C 13 31.817 0.5 . 1 . . . . 89 LYS CB . 15330 1 760 . 1 1 89 89 LYS CD C 13 29.314 0.5 . 1 . . . . 89 LYS CD . 15330 1 761 . 1 1 89 89 LYS CE C 13 41.808 0.5 . 1 . . . . 89 LYS CE . 15330 1 762 . 1 1 89 89 LYS CG C 13 24.072 0.5 . 1 . . . . 89 LYS CG . 15330 1 763 . 1 1 89 89 LYS N N 15 112.811 0.5 . 1 . . . . 89 LYS N . 15330 1 764 . 1 1 90 90 ASP H H 1 7.953 0.05 . 1 . . . . 90 ASP HN . 15330 1 765 . 1 1 90 90 ASP HA H 1 4.852 0.05 . 1 . . . . 90 ASP HA . 15330 1 766 . 1 1 90 90 ASP HB2 H 1 2.694 0.05 . 2 . . . . 90 ASP HB1 . 15330 1 767 . 1 1 90 90 ASP HB3 H 1 2.522 0.05 . 2 . . . . 90 ASP HB2 . 15330 1 768 . 1 1 90 90 ASP CA C 13 55.394 0.5 . 1 . . . . 90 ASP CA . 15330 1 769 . 1 1 90 90 ASP CB C 13 42.883 0.5 . 1 . . . . 90 ASP CB . 15330 1 770 . 1 1 90 90 ASP N N 15 117.971 0.5 . 1 . . . . 90 ASP N . 15330 1 771 . 1 1 91 91 VAL H H 1 7.142 0.05 . 1 . . . . 91 VAL HN . 15330 1 772 . 1 1 91 91 VAL HA H 1 3.306 0.05 . 1 . . . . 91 VAL HA . 15330 1 773 . 1 1 91 91 VAL HB H 1 1.846 0.05 . 1 . . . . 91 VAL HB . 15330 1 774 . 1 1 91 91 VAL HG11 H 1 0.843 0.05 . 4 . . . . 91 VAL HG1 . 15330 1 775 . 1 1 91 91 VAL HG12 H 1 0.843 0.05 . 4 . . . . 91 VAL HG1 . 15330 1 776 . 1 1 91 91 VAL HG13 H 1 0.843 0.05 . 4 . . . . 91 VAL HG1 . 15330 1 777 . 1 1 91 91 VAL HG21 H 1 0.832 0.05 . 4 . . . . 91 VAL HG2 . 15330 1 778 . 1 1 91 91 VAL HG22 H 1 0.832 0.05 . 4 . . . . 91 VAL HG2 . 15330 1 779 . 1 1 91 91 VAL HG23 H 1 0.832 0.05 . 4 . . . . 91 VAL HG2 . 15330 1 780 . 1 1 91 91 VAL CA C 13 67.622 0.5 . 1 . . . . 91 VAL CA . 15330 1 781 . 1 1 91 91 VAL CB C 13 31.798 0.5 . 1 . . . . 91 VAL CB . 15330 1 782 . 1 1 91 91 VAL CG1 C 13 24.041 0.5 . 2 . . . . 91 VAL CG1 . 15330 1 783 . 1 1 91 91 VAL CG2 C 13 22.240 0.5 . 2 . . . . 91 VAL CG2 . 15330 1 784 . 1 1 91 91 VAL N N 15 120.213 0.5 . 1 . . . . 91 VAL N . 15330 1 785 . 1 1 92 92 CYS H H 1 8.780 0.05 . 1 . . . . 92 CYS HN . 15330 1 786 . 1 1 92 92 CYS HA H 1 4.151 0.05 . 1 . . . . 92 CYS HA . 15330 1 787 . 1 1 92 92 CYS HB2 H 1 2.784 0.05 . 2 . . . . 92 CYS HB1 . 15330 1 788 . 1 1 92 92 CYS HB3 H 1 2.856 0.05 . 2 . . . . 92 CYS HB2 . 15330 1 789 . 1 1 92 92 CYS CA C 13 58.998 0.5 . 1 . . . . 92 CYS CA . 15330 1 790 . 1 1 92 92 CYS CB C 13 41.242 0.5 . 1 . . . . 92 CYS CB . 15330 1 791 . 1 1 92 92 CYS N N 15 117.499 0.5 . 1 . . . . 92 CYS N . 15330 1 792 . 1 1 93 93 THR H H 1 8.215 0.05 . 1 . . . . 93 THR HN . 15330 1 793 . 1 1 93 93 THR HA H 1 4.412 0.05 . 1 . . . . 93 THR HA . 15330 1 794 . 1 1 93 93 THR HB H 1 4.099 0.05 . 1 . . . . 93 THR HB . 15330 1 795 . 1 1 93 93 THR HG21 H 1 1.100 0.05 . 1 . . . . 93 THR HG2 . 15330 1 796 . 1 1 93 93 THR HG22 H 1 1.100 0.05 . 1 . . . . 93 THR HG2 . 15330 1 797 . 1 1 93 93 THR HG23 H 1 1.100 0.05 . 1 . . . . 93 THR HG2 . 15330 1 798 . 1 1 93 93 THR CA C 13 64.825 0.5 . 1 . . . . 93 THR CA . 15330 1 799 . 1 1 93 93 THR CB C 13 68.177 0.5 . 1 . . . . 93 THR CB . 15330 1 800 . 1 1 93 93 THR CG2 C 13 21.846 0.5 . 1 . . . . 93 THR CG2 . 15330 1 801 . 1 1 93 93 THR N N 15 117.499 0.5 . 1 . . . . 93 THR N . 15330 1 802 . 1 1 94 94 LYS H H 1 8.298 0.05 . 1 . . . . 94 LYS HN . 15330 1 803 . 1 1 94 94 LYS HA H 1 3.920 0.05 . 1 . . . . 94 LYS HA . 15330 1 804 . 1 1 94 94 LYS HB2 H 1 1.788 0.05 . 2 . . . . 94 LYS HB1 . 15330 1 805 . 1 1 94 94 LYS HB3 H 1 1.894 0.05 . 2 . . . . 94 LYS HB2 . 15330 1 806 . 1 1 94 94 LYS HD2 H 1 1.406 0.05 . 2 . . . . 94 LYS HD1 . 15330 1 807 . 1 1 94 94 LYS HD3 H 1 1.555 0.05 . 2 . . . . 94 LYS HD2 . 15330 1 808 . 1 1 94 94 LYS HG2 H 1 1.196 0.05 . 2 . . . . 94 LYS HG1 . 15330 1 809 . 1 1 94 94 LYS HG3 H 1 1.350 0.05 . 2 . . . . 94 LYS HG2 . 15330 1 810 . 1 1 94 94 LYS CA C 13 60.106 0.5 . 1 . . . . 94 LYS CA . 15330 1 811 . 1 1 94 94 LYS CB C 13 32.657 0.5 . 1 . . . . 94 LYS CB . 15330 1 812 . 1 1 94 94 LYS CD C 13 30.142 0.5 . 1 . . . . 94 LYS CD . 15330 1 813 . 1 1 94 94 LYS CG C 13 25.427 0.5 . 1 . . . . 94 LYS CG . 15330 1 814 . 1 1 94 94 LYS N N 15 127.121 0.5 . 1 . . . . 94 LYS N . 15330 1 815 . 1 1 95 95 LEU H H 1 7.621 0.05 . 1 . . . . 95 LEU HN . 15330 1 816 . 1 1 95 95 LEU HA H 1 4.229 0.05 . 1 . . . . 95 LEU HA . 15330 1 817 . 1 1 95 95 LEU HB2 H 1 1.771 0.05 . 2 . . . . 95 LEU HB1 . 15330 1 818 . 1 1 95 95 LEU HB3 H 1 1.547 0.05 . 2 . . . . 95 LEU HB2 . 15330 1 819 . 1 1 95 95 LEU HD11 H 1 0.735 0.05 . 4 . . . . 95 LEU HD1 . 15330 1 820 . 1 1 95 95 LEU HD12 H 1 0.735 0.05 . 4 . . . . 95 LEU HD1 . 15330 1 821 . 1 1 95 95 LEU HD13 H 1 0.735 0.05 . 4 . . . . 95 LEU HD1 . 15330 1 822 . 1 1 95 95 LEU HG H 1 0.675 0.05 . 1 . . . . 95 LEU HG . 15330 1 823 . 1 1 95 95 LEU CA C 13 54.854 0.5 . 1 . . . . 95 LEU CA . 15330 1 824 . 1 1 95 95 LEU CB C 13 42.372 0.5 . 1 . . . . 95 LEU CB . 15330 1 825 . 1 1 95 95 LEU CD1 C 13 22.043 0.5 . 2 . . . . 95 LEU CD1 . 15330 1 826 . 1 1 95 95 LEU CG C 13 26.533 0.5 . 1 . . . . 95 LEU CG . 15330 1 827 . 1 1 95 95 LEU N N 15 114.538 0.5 . 1 . . . . 95 LEU N . 15330 1 828 . 1 1 96 96 ASN H H 1 7.967 0.05 . 1 . . . . 96 ASN HN . 15330 1 829 . 1 1 96 96 ASN HA H 1 4.402 0.05 . 1 . . . . 96 ASN HA . 15330 1 830 . 1 1 96 96 ASN HB2 H 1 3.081 0.05 . 2 . . . . 96 ASN HB1 . 15330 1 831 . 1 1 96 96 ASN HB3 H 1 2.931 0.05 . 2 . . . . 96 ASN HB2 . 15330 1 832 . 1 1 96 96 ASN CA C 13 55.142 0.5 . 1 . . . . 96 ASN CA . 15330 1 833 . 1 1 96 96 ASN CB C 13 37.094 0.5 . 1 . . . . 96 ASN CB . 15330 1 834 . 1 1 96 96 ASN N N 15 113.551 0.5 . 1 . . . . 96 ASN N . 15330 1 835 . 1 1 97 97 GLU H H 1 8.090 0.05 . 1 . . . . 97 GLU HN . 15330 1 836 . 1 1 97 97 GLU HA H 1 4.138 0.05 . 1 . . . . 97 GLU HA . 15330 1 837 . 1 1 97 97 GLU HB2 H 1 2.257 0.05 . 2 . . . . 97 GLU HB1 . 15330 1 838 . 1 1 97 97 GLU HG2 H 1 2.150 0.05 . 2 . . . . 97 GLU HG1 . 15330 1 839 . 1 1 97 97 GLU CA C 13 57.313 0.5 . 1 . . . . 97 GLU CA . 15330 1 840 . 1 1 97 97 GLU CB C 13 31.232 0.5 . 1 . . . . 97 GLU CB . 15330 1 841 . 1 1 97 97 GLU CG C 13 36.257 0.5 . 1 . . . . 97 GLU CG . 15330 1 842 . 1 1 97 97 GLU N N 15 116.018 0.5 . 1 . . . . 97 GLU N . 15330 1 843 . 1 1 98 98 CYS H H 1 7.052 0.05 . 1 . . . . 98 CYS HN . 15330 1 844 . 1 1 98 98 CYS HA H 1 4.527 0.05 . 1 . . . . 98 CYS HA . 15330 1 845 . 1 1 98 98 CYS HB2 H 1 1.958 0.05 . 2 . . . . 98 CYS HB1 . 15330 1 846 . 1 1 98 98 CYS HB3 H 1 3.190 0.05 . 2 . . . . 98 CYS HB2 . 15330 1 847 . 1 1 98 98 CYS CA C 13 52.914 0.5 . 1 . . . . 98 CYS CA . 15330 1 848 . 1 1 98 98 CYS CB C 13 46.223 0.5 . 1 . . . . 98 CYS CB . 15330 1 849 . 1 1 98 98 CYS N N 15 112.811 0.5 . 1 . . . . 98 CYS N . 15330 1 850 . 1 1 99 99 PRO HA H 1 4.433 0.05 . 1 . . . . 99 PRO HA . 15330 1 851 . 1 1 99 99 PRO HB2 H 1 2.039 0.05 . 2 . . . . 99 PRO HB1 . 15330 1 852 . 1 1 99 99 PRO HB3 H 1 2.261 0.05 . 2 . . . . 99 PRO HB2 . 15330 1 853 . 1 1 99 99 PRO HD2 H 1 3.337 0.05 . 2 . . . . 99 PRO HD1 . 15330 1 854 . 1 1 99 99 PRO HD3 H 1 3.486 0.05 . 2 . . . . 99 PRO HD2 . 15330 1 855 . 1 1 99 99 PRO HG2 H 1 1.748 0.05 . 2 . . . . 99 PRO HG1 . 15330 1 856 . 1 1 99 99 PRO HG3 H 1 1.824 0.05 . 2 . . . . 99 PRO HG2 . 15330 1 857 . 1 1 99 99 PRO CA C 13 64.546 0.5 . 1 . . . . 99 PRO CA . 15330 1 858 . 1 1 99 99 PRO CB C 13 33.651 0.5 . 1 . . . . 99 PRO CB . 15330 1 859 . 1 1 99 99 PRO CD C 13 49.825 0.5 . 1 . . . . 99 PRO CD . 15330 1 860 . 1 1 99 99 PRO CG C 13 25.131 0.5 . 1 . . . . 99 PRO CG . 15330 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 11 15330 1 1 12 15330 1 1 13 15330 1 2 62 15330 1 2 63 15330 1 2 64 15330 1 3 131 15330 1 3 132 15330 1 3 133 15330 1 3 134 15330 1 3 135 15330 1 3 136 15330 1 4 147 15330 1 4 148 15330 1 4 149 15330 1 4 150 15330 1 4 151 15330 1 4 152 15330 1 5 161 15330 1 5 162 15330 1 5 163 15330 1 5 164 15330 1 5 165 15330 1 5 166 15330 1 6 287 15330 1 6 288 15330 1 6 289 15330 1 6 290 15330 1 6 291 15330 1 6 292 15330 1 7 306 15330 1 7 307 15330 1 7 308 15330 1 8 418 15330 1 8 419 15330 1 8 420 15330 1 8 421 15330 1 8 422 15330 1 8 423 15330 1 9 465 15330 1 9 466 15330 1 9 467 15330 1 10 560 15330 1 10 561 15330 1 10 562 15330 1 10 563 15330 1 10 564 15330 1 10 565 15330 1 11 603 15330 1 11 604 15330 1 11 605 15330 1 11 606 15330 1 11 607 15330 1 11 608 15330 1 12 639 15330 1 12 640 15330 1 12 641 15330 1 13 656 15330 1 13 657 15330 1 13 658 15330 1 13 688 15330 1 13 689 15330 1 13 690 15330 1 13 691 15330 1 13 692 15330 1 13 693 15330 1 14 774 15330 1 14 775 15330 1 14 776 15330 1 14 777 15330 1 14 778 15330 1 14 779 15330 1 15 819 15330 1 15 820 15330 1 15 821 15330 1 stop_ save_