data_18818 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18818 _Entry.Title ; Solution structure and dynamics of human S100A14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-05 _Entry.Accession_date 2012-11-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivano Bertini . . . 18818 2 Valentina Borsi . . . 18818 3 Linda Cerofolini . . . 18818 4 Soumyasri 'Das Gupta' . . . 18818 5 Marco Fragai . . . 18818 6 Claudio Luchinat . . . 18818 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Structural Proteomics in Europe 2' . 18818 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF-hand proteins' . 18818 'Protein dynamics' . 18818 S100A14 . 18818 'S100 proteins' . 18818 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18818 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 18818 '15N chemical shifts' 102 18818 '1H chemical shifts' 558 18818 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 . . 2013-02-18 2012-11-05 update BMRB 'update entry citation' 18818 1 . . 2013-01-22 2012-11-05 original author 'original release' 18818 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0R 'BMRB Entry Tracking System' 18818 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18818 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23197251 _Citation.Full_citation . _Citation.Title 'Solution structure and dynamics of human S100A14.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full 'Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _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 183 _Citation.Page_last 194 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ivano Bertini . . . 18818 1 2 Valentina Borsi . . . 18818 1 3 Linda Cerofolini . . . 18818 1 4 Soumyasri 'Das Gupta' . . . 18818 1 5 Marco Fragai . . . 18818 1 6 Claudio Luchinat . . . 18818 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18818 _Assembly.ID 1 _Assembly.Name 'human S100A14' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human S100A14, 1' 1 $entity A . yes native no no . . . 18818 1 2 'human S100A14, 2' 1 $entity B . yes native no no . . . 18818 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18818 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGQCRSANAEDAQEFSDVER AIETLIKNFHQYSVEGGKET LTPSELRDLVTQQLPHLMPS NCGLEEKIANLGSCNDSKLE FRSFWELIGEAAKSVKLERP VRGH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11677.180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M0R . "Solution Structure And Dynamics Of Human S100a14" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 2 no GB AAG01893 . "S100-type calcium binding protein A14 [Homo sapiens]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 3 no GB AAH05019 . "S100 calcium binding protein A14 [Homo sapiens]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 4 no GB AAM19206 . "S100 calcium binding protein A14 [Homo sapiens]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 5 no GB ADQ32442 . "S100 calcium binding protein A14 [synthetic construct]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 6 no GB AIC52003 . "S100A14, partial [synthetic construct]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 7 no REF NP_001177097 . "protein S100-A14 [Sus scrofa]" . . . . . 99.04 104 98.06 98.06 5.29e-67 . . . . 18818 1 8 no REF NP_065723 . "protein S100-A14 [Homo sapiens]" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 1 9 no REF XP_001139808 . "PREDICTED: protein S100-A14 [Pan troglodytes]" . . . . . 99.04 104 100.00 100.00 4.75e-69 . . . . 18818 1 10 no REF XP_001140053 . "PREDICTED: protein S100-A14 [Pan troglodytes]" . . . . . 99.04 104 100.00 100.00 4.75e-69 . . . . 18818 1 11 no REF XP_002760048 . "PREDICTED: protein S100-A14, partial [Callithrix jacchus]" . . . . . 65.38 71 98.53 100.00 1.01e-40 . . . . 18818 1 12 no SP Q9HCY8 . "RecName: Full=Protein S100-A14; AltName: Full=S100 calcium-binding protein A14; Short=S114" . . . . . 100.00 104 100.00 100.00 4.45e-70 . . . . 18818 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 . 18818 1 2 . GLY . 18818 1 3 . GLN . 18818 1 4 . CYS . 18818 1 5 . ARG . 18818 1 6 . SER . 18818 1 7 . ALA . 18818 1 8 . ASN . 18818 1 9 . ALA . 18818 1 10 . GLU . 18818 1 11 . ASP . 18818 1 12 . ALA . 18818 1 13 . GLN . 18818 1 14 . GLU . 18818 1 15 . PHE . 18818 1 16 . SER . 18818 1 17 . ASP . 18818 1 18 . VAL . 18818 1 19 . GLU . 18818 1 20 . ARG . 18818 1 21 . ALA . 18818 1 22 . ILE . 18818 1 23 . GLU . 18818 1 24 . THR . 18818 1 25 . LEU . 18818 1 26 . ILE . 18818 1 27 . LYS . 18818 1 28 . ASN . 18818 1 29 . PHE . 18818 1 30 . HIS . 18818 1 31 . GLN . 18818 1 32 . TYR . 18818 1 33 . SER . 18818 1 34 . VAL . 18818 1 35 . GLU . 18818 1 36 . GLY . 18818 1 37 . GLY . 18818 1 38 . LYS . 18818 1 39 . GLU . 18818 1 40 . THR . 18818 1 41 . LEU . 18818 1 42 . THR . 18818 1 43 . PRO . 18818 1 44 . SER . 18818 1 45 . GLU . 18818 1 46 . LEU . 18818 1 47 . ARG . 18818 1 48 . ASP . 18818 1 49 . LEU . 18818 1 50 . VAL . 18818 1 51 . THR . 18818 1 52 . GLN . 18818 1 53 . GLN . 18818 1 54 . LEU . 18818 1 55 . PRO . 18818 1 56 . HIS . 18818 1 57 . LEU . 18818 1 58 . MET . 18818 1 59 . PRO . 18818 1 60 . SER . 18818 1 61 . ASN . 18818 1 62 . CYS . 18818 1 63 . GLY . 18818 1 64 . LEU . 18818 1 65 . GLU . 18818 1 66 . GLU . 18818 1 67 . LYS . 18818 1 68 . ILE . 18818 1 69 . ALA . 18818 1 70 . ASN . 18818 1 71 . LEU . 18818 1 72 . GLY . 18818 1 73 . SER . 18818 1 74 . CYS . 18818 1 75 . ASN . 18818 1 76 . ASP . 18818 1 77 . SER . 18818 1 78 . LYS . 18818 1 79 . LEU . 18818 1 80 . GLU . 18818 1 81 . PHE . 18818 1 82 . ARG . 18818 1 83 . SER . 18818 1 84 . PHE . 18818 1 85 . TRP . 18818 1 86 . GLU . 18818 1 87 . LEU . 18818 1 88 . ILE . 18818 1 89 . GLY . 18818 1 90 . GLU . 18818 1 91 . ALA . 18818 1 92 . ALA . 18818 1 93 . LYS . 18818 1 94 . SER . 18818 1 95 . VAL . 18818 1 96 . LYS . 18818 1 97 . LEU . 18818 1 98 . GLU . 18818 1 99 . ARG . 18818 1 100 . PRO . 18818 1 101 . VAL . 18818 1 102 . ARG . 18818 1 103 . GLY . 18818 1 104 . HIS . 18818 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 18818 1 . GLY 2 2 18818 1 . GLN 3 3 18818 1 . CYS 4 4 18818 1 . ARG 5 5 18818 1 . SER 6 6 18818 1 . ALA 7 7 18818 1 . ASN 8 8 18818 1 . ALA 9 9 18818 1 . GLU 10 10 18818 1 . ASP 11 11 18818 1 . ALA 12 12 18818 1 . GLN 13 13 18818 1 . GLU 14 14 18818 1 . PHE 15 15 18818 1 . SER 16 16 18818 1 . ASP 17 17 18818 1 . VAL 18 18 18818 1 . GLU 19 19 18818 1 . ARG 20 20 18818 1 . ALA 21 21 18818 1 . ILE 22 22 18818 1 . GLU 23 23 18818 1 . THR 24 24 18818 1 . LEU 25 25 18818 1 . ILE 26 26 18818 1 . LYS 27 27 18818 1 . ASN 28 28 18818 1 . PHE 29 29 18818 1 . HIS 30 30 18818 1 . GLN 31 31 18818 1 . TYR 32 32 18818 1 . SER 33 33 18818 1 . VAL 34 34 18818 1 . GLU 35 35 18818 1 . GLY 36 36 18818 1 . GLY 37 37 18818 1 . LYS 38 38 18818 1 . GLU 39 39 18818 1 . THR 40 40 18818 1 . LEU 41 41 18818 1 . THR 42 42 18818 1 . PRO 43 43 18818 1 . SER 44 44 18818 1 . GLU 45 45 18818 1 . LEU 46 46 18818 1 . ARG 47 47 18818 1 . ASP 48 48 18818 1 . LEU 49 49 18818 1 . VAL 50 50 18818 1 . THR 51 51 18818 1 . GLN 52 52 18818 1 . GLN 53 53 18818 1 . LEU 54 54 18818 1 . PRO 55 55 18818 1 . HIS 56 56 18818 1 . LEU 57 57 18818 1 . MET 58 58 18818 1 . PRO 59 59 18818 1 . SER 60 60 18818 1 . ASN 61 61 18818 1 . CYS 62 62 18818 1 . GLY 63 63 18818 1 . LEU 64 64 18818 1 . GLU 65 65 18818 1 . GLU 66 66 18818 1 . LYS 67 67 18818 1 . ILE 68 68 18818 1 . ALA 69 69 18818 1 . ASN 70 70 18818 1 . LEU 71 71 18818 1 . GLY 72 72 18818 1 . SER 73 73 18818 1 . CYS 74 74 18818 1 . ASN 75 75 18818 1 . ASP 76 76 18818 1 . SER 77 77 18818 1 . LYS 78 78 18818 1 . LEU 79 79 18818 1 . GLU 80 80 18818 1 . PHE 81 81 18818 1 . ARG 82 82 18818 1 . SER 83 83 18818 1 . PHE 84 84 18818 1 . TRP 85 85 18818 1 . GLU 86 86 18818 1 . LEU 87 87 18818 1 . ILE 88 88 18818 1 . GLY 89 89 18818 1 . GLU 90 90 18818 1 . ALA 91 91 18818 1 . ALA 92 92 18818 1 . LYS 93 93 18818 1 . SER 94 94 18818 1 . VAL 95 95 18818 1 . LYS 96 96 18818 1 . LEU 97 97 18818 1 . GLU 98 98 18818 1 . ARG 99 99 18818 1 . PRO 100 100 18818 1 . VAL 101 101 18818 1 . ARG 102 102 18818 1 . GLY 103 103 18818 1 . HIS 104 104 18818 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 18818 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18818 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 18818 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 18818 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18818 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human S100A14' . . . 1 $entity . . . . . mM . . . . 18818 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18818 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18818 1 4 MES 'natural abundance' . . . . . . 30 . . mM . . . . 18818 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18818 _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' 0.2 . M 18818 1 pH 6.5 . pH 18818 1 pressure 1 . atm 18818 1 temperature 310 . K 18818 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18818 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18818 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18818 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18818 _Software.ID 2 _Software.Name AMBER _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18818 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18818 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18818 _Software.ID 3 _Software.Name CARA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CARA) Keller, R.L.J.' . . 18818 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18818 3 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 18818 _Software.ID 4 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CING) Vuister, G.W.' . . 18818 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18818 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18818 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18818 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18818 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18818 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18818 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 18818 1 2 spectrometer_2 Bruker Avance . 800 . . . 18818 1 3 spectrometer_3 Bruker Avance . 700 . . . 18818 1 4 spectrometer_4 Bruker DRX . 500 . . . 18818 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 18818 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 11 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 12 '2D CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 13 '2D CBCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18818 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 18818 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18818 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18818 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18818 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 18818 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18818 1 2 '3D CBCA(CO)NH' . . . 18818 1 3 '3D HNCO' . . . 18818 1 4 '3D HNCA' . . . 18818 1 5 '3D HNCACB' . . . 18818 1 6 '3D HBHA(CO)NH' . . . 18818 1 7 '3D HN(CA)CO' . . . 18818 1 8 '3D HCCH-TOCSY' . . . 18818 1 9 '3D 1H-15N NOESY' . . . 18818 1 10 '3D 1H-13C NOESY aliphatic' . . . 18818 1 11 '2D CON' . . . 18818 1 12 '2D CACO' . . . 18818 1 13 '2D CBCACO' . . . 18818 1 14 '2D 1H-1H NOESY' . . . 18818 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 5 5 ARG H H 1 8.57 0.02 . 1 . . . A 5 ARG H . 18818 1 2 . 1 1 5 5 ARG HA H 1 4.05 0.02 . 1 . . . A 5 ARG HA . 18818 1 3 . 1 1 5 5 ARG C C 13 173.8 0.3 . 1 . . . A 5 ARG C . 18818 1 4 . 1 1 5 5 ARG CA C 13 56.0 0.3 . 1 . . . A 5 ARG CA . 18818 1 5 . 1 1 5 5 ARG CB C 13 30.7 0.3 . 1 . . . A 5 ARG CB . 18818 1 6 . 1 1 5 5 ARG CG C 13 26.9 0.3 . 1 . . . A 5 ARG CG . 18818 1 7 . 1 1 5 5 ARG CD C 13 43.2 0.3 . 1 . . . A 5 ARG CD . 18818 1 8 . 1 1 5 5 ARG N N 15 124.1 0.3 . 1 . . . A 5 ARG N . 18818 1 9 . 1 1 6 6 SER H H 1 8.37 0.02 . 1 . . . A 6 SER H . 18818 1 10 . 1 1 6 6 SER HA H 1 4.51 0.02 . 1 . . . A 6 SER HA . 18818 1 11 . 1 1 6 6 SER HB2 H 1 3.96 0.02 . 2 . . . A 6 SER HB2 . 18818 1 12 . 1 1 6 6 SER HB3 H 1 3.92 0.02 . 2 . . . A 6 SER HB3 . 18818 1 13 . 1 1 6 6 SER C C 13 174.1 0.3 . 1 . . . A 6 SER C . 18818 1 14 . 1 1 6 6 SER CA C 13 58.0 0.3 . 1 . . . A 6 SER CA . 18818 1 15 . 1 1 6 6 SER CB C 13 63.7 0.3 . 1 . . . A 6 SER CB . 18818 1 16 . 1 1 6 6 SER N N 15 117.5 0.3 . 1 . . . A 6 SER N . 18818 1 17 . 1 1 7 7 ALA H H 1 8.41 0.02 . 1 . . . A 7 ALA H . 18818 1 18 . 1 1 7 7 ALA HA H 1 4.40 0.02 . 1 . . . A 7 ALA HA . 18818 1 19 . 1 1 7 7 ALA HB1 H 1 1.46 0.02 . 1 . . . A 7 ALA HB1 . 18818 1 20 . 1 1 7 7 ALA HB2 H 1 1.46 0.02 . 1 . . . A 7 ALA HB2 . 18818 1 21 . 1 1 7 7 ALA HB3 H 1 1.46 0.02 . 1 . . . A 7 ALA HB3 . 18818 1 22 . 1 1 7 7 ALA C C 13 177.2 0.3 . 1 . . . A 7 ALA C . 18818 1 23 . 1 1 7 7 ALA CA C 13 52.6 0.3 . 1 . . . A 7 ALA CA . 18818 1 24 . 1 1 7 7 ALA CB C 13 19.0 0.3 . 1 . . . A 7 ALA CB . 18818 1 25 . 1 1 7 7 ALA N N 15 125.9 0.3 . 1 . . . A 7 ALA N . 18818 1 26 . 1 1 8 8 ASN H H 1 8.36 0.02 . 1 . . . A 8 ASN H . 18818 1 27 . 1 1 8 8 ASN HA H 1 4.77 0.02 . 1 . . . A 8 ASN HA . 18818 1 28 . 1 1 8 8 ASN HB2 H 1 2.91 0.02 . 2 . . . A 8 ASN HB2 . 18818 1 29 . 1 1 8 8 ASN HB3 H 1 2.81 0.02 . 2 . . . A 8 ASN HB3 . 18818 1 30 . 1 1 8 8 ASN HD21 H 1 7.57 0.02 . 1 . . . A 8 ASN HD21 . 18818 1 31 . 1 1 8 8 ASN HD22 H 1 6.87 0.02 . 1 . . . A 8 ASN HD22 . 18818 1 32 . 1 1 8 8 ASN C C 13 174.9 0.3 . 1 . . . A 8 ASN C . 18818 1 33 . 1 1 8 8 ASN CA C 13 52.9 0.3 . 1 . . . A 8 ASN CA . 18818 1 34 . 1 1 8 8 ASN CB C 13 38.8 0.3 . 1 . . . A 8 ASN CB . 18818 1 35 . 1 1 8 8 ASN CG C 13 177.0 0.3 . 1 . . . A 8 ASN CG . 18818 1 36 . 1 1 8 8 ASN N N 15 117.4 0.3 . 1 . . . A 8 ASN N . 18818 1 37 . 1 1 8 8 ASN ND2 N 15 112.3 0.3 . 1 . . . A 8 ASN ND2 . 18818 1 38 . 1 1 9 9 ALA H H 1 8.27 0.02 . 1 . . . A 9 ALA H . 18818 1 39 . 1 1 9 9 ALA HA H 1 4.35 0.02 . 1 . . . A 9 ALA HA . 18818 1 40 . 1 1 9 9 ALA HB1 H 1 1.47 0.02 . 1 . . . A 9 ALA HB1 . 18818 1 41 . 1 1 9 9 ALA HB2 H 1 1.47 0.02 . 1 . . . A 9 ALA HB2 . 18818 1 42 . 1 1 9 9 ALA HB3 H 1 1.47 0.02 . 1 . . . A 9 ALA HB3 . 18818 1 43 . 1 1 9 9 ALA C C 13 177.8 0.3 . 1 . . . A 9 ALA C . 18818 1 44 . 1 1 9 9 ALA CA C 13 52.7 0.3 . 1 . . . A 9 ALA CA . 18818 1 45 . 1 1 9 9 ALA CB C 13 18.9 0.3 . 1 . . . A 9 ALA CB . 18818 1 46 . 1 1 9 9 ALA N N 15 124.4 0.3 . 1 . . . A 9 ALA N . 18818 1 47 . 1 1 10 10 GLU H H 1 8.47 0.02 . 1 . . . A 10 GLU H . 18818 1 48 . 1 1 10 10 GLU HA H 1 4.31 0.02 . 1 . . . A 10 GLU HA . 18818 1 49 . 1 1 10 10 GLU HB2 H 1 2.04 0.02 . 2 . . . A 10 GLU HB2 . 18818 1 50 . 1 1 10 10 GLU HB3 H 1 1.91 0.02 . 2 . . . A 10 GLU HB3 . 18818 1 51 . 1 1 10 10 GLU C C 13 176.4 0.3 . 1 . . . A 10 GLU C . 18818 1 52 . 1 1 10 10 GLU CA C 13 56.9 0.3 . 1 . . . A 10 GLU CA . 18818 1 53 . 1 1 10 10 GLU CB C 13 29.6 0.3 . 1 . . . A 10 GLU CB . 18818 1 54 . 1 1 10 10 GLU CG C 13 36.2 0.3 . 1 . . . A 10 GLU CG . 18818 1 55 . 1 1 10 10 GLU CD C 13 183.8 0.3 . 1 . . . A 10 GLU CD . 18818 1 56 . 1 1 10 10 GLU N N 15 119.3 0.3 . 1 . . . A 10 GLU N . 18818 1 57 . 1 1 11 11 ASP H H 1 8.20 0.02 . 1 . . . A 11 ASP H . 18818 1 58 . 1 1 11 11 ASP HA H 1 4.61 0.02 . 1 . . . A 11 ASP HA . 18818 1 59 . 1 1 11 11 ASP C C 13 176.1 0.3 . 1 . . . A 11 ASP C . 18818 1 60 . 1 1 11 11 ASP CA C 13 54.3 0.3 . 1 . . . A 11 ASP CA . 18818 1 61 . 1 1 11 11 ASP CB C 13 40.8 0.3 . 1 . . . A 11 ASP CB . 18818 1 62 . 1 1 11 11 ASP CG C 13 179.9 0.3 . 1 . . . A 11 ASP CG . 18818 1 63 . 1 1 11 11 ASP N N 15 120.6 0.3 . 1 . . . A 11 ASP N . 18818 1 64 . 1 1 12 12 ALA H H 1 8.07 0.02 . 1 . . . A 12 ALA H . 18818 1 65 . 1 1 12 12 ALA HA H 1 4.09 0.02 . 1 . . . A 12 ALA HA . 18818 1 66 . 1 1 12 12 ALA HB1 H 1 1.37 0.02 . 1 . . . A 12 ALA HB1 . 18818 1 67 . 1 1 12 12 ALA HB2 H 1 1.37 0.02 . 1 . . . A 12 ALA HB2 . 18818 1 68 . 1 1 12 12 ALA HB3 H 1 1.37 0.02 . 1 . . . A 12 ALA HB3 . 18818 1 69 . 1 1 12 12 ALA C C 13 177.8 0.3 . 1 . . . A 12 ALA C . 18818 1 70 . 1 1 12 12 ALA CA C 13 52.5 0.3 . 1 . . . A 12 ALA CA . 18818 1 71 . 1 1 12 12 ALA CB C 13 18.8 0.3 . 1 . . . A 12 ALA CB . 18818 1 72 . 1 1 12 12 ALA N N 15 123.8 0.3 . 1 . . . A 12 ALA N . 18818 1 73 . 1 1 13 13 GLN H H 1 8.23 0.02 . 1 . . . A 13 GLN H . 18818 1 74 . 1 1 13 13 GLN HA H 1 4.27 0.02 . 1 . . . A 13 GLN HA . 18818 1 75 . 1 1 13 13 GLN HB2 H 1 2.02 0.02 . 2 . . . A 13 GLN HB2 . 18818 1 76 . 1 1 13 13 GLN HB3 H 1 1.95 0.02 . 2 . . . A 13 GLN HB3 . 18818 1 77 . 1 1 13 13 GLN HG2 H 1 2.37 0.02 . 2 . . . A 13 GLN HG2 . 18818 1 78 . 1 1 13 13 GLN HG3 H 1 2.46 0.02 . 2 . . . A 13 GLN HG3 . 18818 1 79 . 1 1 13 13 GLN C C 13 175.7 0.3 . 1 . . . A 13 GLN C . 18818 1 80 . 1 1 13 13 GLN CA C 13 55.9 0.3 . 1 . . . A 13 GLN CA . 18818 1 81 . 1 1 13 13 GLN CB C 13 29.1 0.3 . 1 . . . A 13 GLN CB . 18818 1 82 . 1 1 13 13 GLN CG C 13 33.6 0.3 . 1 . . . A 13 GLN CG . 18818 1 83 . 1 1 13 13 GLN CD C 13 180.4 0.3 . 1 . . . A 13 GLN CD . 18818 1 84 . 1 1 13 13 GLN N N 15 118.5 0.3 . 1 . . . A 13 GLN N . 18818 1 85 . 1 1 14 14 GLU H H 1 8.10 0.02 . 1 . . . A 14 GLU H . 18818 1 86 . 1 1 14 14 GLU HA H 1 4.30 0.02 . 1 . . . A 14 GLU HA . 18818 1 87 . 1 1 14 14 GLU HB2 H 1 2.05 0.02 . 2 . . . A 14 GLU HB2 . 18818 1 88 . 1 1 14 14 GLU HB3 H 1 1.91 0.02 . 2 . . . A 14 GLU HB3 . 18818 1 89 . 1 1 14 14 GLU HG2 H 1 2.37 0.02 . 2 . . . A 14 GLU HG2 . 18818 1 90 . 1 1 14 14 GLU HG3 H 1 2.22 0.02 . 2 . . . A 14 GLU HG3 . 18818 1 91 . 1 1 14 14 GLU C C 13 175.8 0.3 . 1 . . . A 14 GLU C . 18818 1 92 . 1 1 14 14 GLU CA C 13 55.8 0.3 . 1 . . . A 14 GLU CA . 18818 1 93 . 1 1 14 14 GLU CB C 13 29.9 0.3 . 1 . . . A 14 GLU CB . 18818 1 94 . 1 1 14 14 GLU CG C 13 36.1 0.3 . 1 . . . A 14 GLU CG . 18818 1 95 . 1 1 14 14 GLU CD C 13 183.6 0.3 . 1 . . . A 14 GLU CD . 18818 1 96 . 1 1 14 14 GLU N N 15 120.6 0.3 . 1 . . . A 14 GLU N . 18818 1 97 . 1 1 15 15 PHE H H 1 8.03 0.02 . 1 . . . A 15 PHE H . 18818 1 98 . 1 1 15 15 PHE HA H 1 4.88 0.02 . 1 . . . A 15 PHE HA . 18818 1 99 . 1 1 15 15 PHE HB2 H 1 3.46 0.02 . 2 . . . A 15 PHE HB2 . 18818 1 100 . 1 1 15 15 PHE HB3 H 1 3.09 0.02 . 2 . . . A 15 PHE HB3 . 18818 1 101 . 1 1 15 15 PHE HZ H 1 7.35 0.02 . 1 . . . A 15 PHE HZ . 18818 1 102 . 1 1 15 15 PHE C C 13 176.9 0.3 . 1 . . . A 15 PHE C . 18818 1 103 . 1 1 15 15 PHE CA C 13 55.3 0.3 . 1 . . . A 15 PHE CA . 18818 1 104 . 1 1 15 15 PHE CB C 13 39.3 0.3 . 1 . . . A 15 PHE CB . 18818 1 105 . 1 1 15 15 PHE N N 15 121.1 0.3 . 1 . . . A 15 PHE N . 18818 1 106 . 1 1 16 16 SER H H 1 9.53 0.02 . 1 . . . A 16 SER H . 18818 1 107 . 1 1 16 16 SER HA H 1 4.85 0.02 . 1 . . . A 16 SER HA . 18818 1 108 . 1 1 16 16 SER C C 13 174.8 0.3 . 1 . . . A 16 SER C . 18818 1 109 . 1 1 16 16 SER CA C 13 57.0 0.3 . 1 . . . A 16 SER CA . 18818 1 110 . 1 1 16 16 SER CB C 13 65.6 0.3 . 1 . . . A 16 SER CB . 18818 1 111 . 1 1 16 16 SER N N 15 119.4 0.3 . 1 . . . A 16 SER N . 18818 1 112 . 1 1 17 17 ASP H H 1 9.27 0.02 . 1 . . . A 17 ASP H . 18818 1 113 . 1 1 17 17 ASP HA H 1 4.55 0.02 . 1 . . . A 17 ASP HA . 18818 1 114 . 1 1 17 17 ASP HB2 H 1 2.92 0.02 . 2 . . . A 17 ASP HB2 . 18818 1 115 . 1 1 17 17 ASP HB3 H 1 2.80 0.02 . 2 . . . A 17 ASP HB3 . 18818 1 116 . 1 1 17 17 ASP C C 13 179.7 0.3 . 1 . . . A 17 ASP C . 18818 1 117 . 1 1 17 17 ASP CA C 13 58.0 0.3 . 1 . . . A 17 ASP CA . 18818 1 118 . 1 1 17 17 ASP CB C 13 39.5 0.3 . 1 . . . A 17 ASP CB . 18818 1 119 . 1 1 17 17 ASP N N 15 121.3 0.3 . 1 . . . A 17 ASP N . 18818 1 120 . 1 1 18 18 VAL H H 1 8.23 0.02 . 1 . . . A 18 VAL H . 18818 1 121 . 1 1 18 18 VAL HA H 1 3.68 0.02 . 1 . . . A 18 VAL HA . 18818 1 122 . 1 1 18 18 VAL HB H 1 2.28 0.02 . 1 . . . A 18 VAL HB . 18818 1 123 . 1 1 18 18 VAL HG11 H 1 1.15 0.02 . 1 . . . A 18 VAL HG11 . 18818 1 124 . 1 1 18 18 VAL HG12 H 1 1.15 0.02 . 1 . . . A 18 VAL HG12 . 18818 1 125 . 1 1 18 18 VAL HG13 H 1 1.15 0.02 . 1 . . . A 18 VAL HG13 . 18818 1 126 . 1 1 18 18 VAL HG21 H 1 0.93 0.02 . 1 . . . A 18 VAL HG21 . 18818 1 127 . 1 1 18 18 VAL HG22 H 1 0.93 0.02 . 1 . . . A 18 VAL HG22 . 18818 1 128 . 1 1 18 18 VAL HG23 H 1 0.93 0.02 . 1 . . . A 18 VAL HG23 . 18818 1 129 . 1 1 18 18 VAL C C 13 176.9 0.3 . 1 . . . A 18 VAL C . 18818 1 130 . 1 1 18 18 VAL CA C 13 66.5 0.3 . 1 . . . A 18 VAL CA . 18818 1 131 . 1 1 18 18 VAL CB C 13 31.9 0.3 . 1 . . . A 18 VAL CB . 18818 1 132 . 1 1 18 18 VAL CG1 C 13 24.3 0.3 . 1 . . . A 18 VAL CG1 . 18818 1 133 . 1 1 18 18 VAL CG2 C 13 21.0 0.3 . 1 . . . A 18 VAL CG2 . 18818 1 134 . 1 1 18 18 VAL N N 15 120.6 0.3 . 1 . . . A 18 VAL N . 18818 1 135 . 1 1 19 19 GLU H H 1 8.18 0.02 . 1 . . . A 19 GLU H . 18818 1 136 . 1 1 19 19 GLU HA H 1 3.74 0.02 . 1 . . . A 19 GLU HA . 18818 1 137 . 1 1 19 19 GLU HB2 H 1 1.98 0.02 . 2 . . . A 19 GLU HB2 . 18818 1 138 . 1 1 19 19 GLU HB3 H 1 1.52 0.02 . 2 . . . A 19 GLU HB3 . 18818 1 139 . 1 1 19 19 GLU C C 13 178.6 0.3 . 1 . . . A 19 GLU C . 18818 1 140 . 1 1 19 19 GLU CA C 13 60.0 0.3 . 1 . . . A 19 GLU CA . 18818 1 141 . 1 1 19 19 GLU CB C 13 28.7 0.3 . 1 . . . A 19 GLU CB . 18818 1 142 . 1 1 19 19 GLU CG C 13 39.3 0.3 . 1 . . . A 19 GLU CG . 18818 1 143 . 1 1 19 19 GLU N N 15 121.0 0.3 . 1 . . . A 19 GLU N . 18818 1 144 . 1 1 20 20 ARG H H 1 8.92 0.02 . 1 . . . A 20 ARG H . 18818 1 145 . 1 1 20 20 ARG HA H 1 4.30 0.02 . 1 . . . A 20 ARG HA . 18818 1 146 . 1 1 20 20 ARG HG2 H 1 2.06 0.02 . 2 . . . A 20 ARG HG2 . 18818 1 147 . 1 1 20 20 ARG HG3 H 1 1.90 0.02 . 2 . . . A 20 ARG HG3 . 18818 1 148 . 1 1 20 20 ARG HD2 H 1 3.47 0.02 . 2 . . . A 20 ARG HD2 . 18818 1 149 . 1 1 20 20 ARG HD3 H 1 3.34 0.02 . 2 . . . A 20 ARG HD3 . 18818 1 150 . 1 1 20 20 ARG C C 13 178.7 0.3 . 1 . . . A 20 ARG C . 18818 1 151 . 1 1 20 20 ARG CA C 13 59.1 0.3 . 1 . . . A 20 ARG CA . 18818 1 152 . 1 1 20 20 ARG CB C 13 29.7 0.3 . 1 . . . A 20 ARG CB . 18818 1 153 . 1 1 20 20 ARG CG C 13 28.5 0.3 . 1 . . . A 20 ARG CG . 18818 1 154 . 1 1 20 20 ARG CD C 13 43.1 0.3 . 1 . . . A 20 ARG CD . 18818 1 155 . 1 1 20 20 ARG N N 15 118.1 0.3 . 1 . . . A 20 ARG N . 18818 1 156 . 1 1 21 21 ALA H H 1 8.06 0.02 . 1 . . . A 21 ALA H . 18818 1 157 . 1 1 21 21 ALA HA H 1 4.42 0.02 . 1 . . . A 21 ALA HA . 18818 1 158 . 1 1 21 21 ALA HB1 H 1 1.88 0.02 . 1 . . . A 21 ALA HB1 . 18818 1 159 . 1 1 21 21 ALA HB2 H 1 1.88 0.02 . 1 . . . A 21 ALA HB2 . 18818 1 160 . 1 1 21 21 ALA HB3 H 1 1.88 0.02 . 1 . . . A 21 ALA HB3 . 18818 1 161 . 1 1 21 21 ALA C C 13 179.3 0.3 . 1 . . . A 21 ALA C . 18818 1 162 . 1 1 21 21 ALA CA C 13 55.2 0.3 . 1 . . . A 21 ALA CA . 18818 1 163 . 1 1 21 21 ALA CB C 13 17.9 0.3 . 1 . . . A 21 ALA CB . 18818 1 164 . 1 1 21 21 ALA N N 15 123.8 0.3 . 1 . . . A 21 ALA N . 18818 1 165 . 1 1 22 22 ILE H H 1 8.01 0.02 . 1 . . . A 22 ILE H . 18818 1 166 . 1 1 22 22 ILE HA H 1 3.72 0.02 . 1 . . . A 22 ILE HA . 18818 1 167 . 1 1 22 22 ILE HB H 1 1.96 0.02 . 1 . . . A 22 ILE HB . 18818 1 168 . 1 1 22 22 ILE HG21 H 1 0.78 0.02 . 1 . . . A 22 ILE HG21 . 18818 1 169 . 1 1 22 22 ILE HG22 H 1 0.78 0.02 . 1 . . . A 22 ILE HG22 . 18818 1 170 . 1 1 22 22 ILE HG23 H 1 0.78 0.02 . 1 . . . A 22 ILE HG23 . 18818 1 171 . 1 1 22 22 ILE HD11 H 1 0.74 0.02 . 1 . . . A 22 ILE HD11 . 18818 1 172 . 1 1 22 22 ILE HD12 H 1 0.74 0.02 . 1 . . . A 22 ILE HD12 . 18818 1 173 . 1 1 22 22 ILE HD13 H 1 0.74 0.02 . 1 . . . A 22 ILE HD13 . 18818 1 174 . 1 1 22 22 ILE C C 13 177.5 0.3 . 1 . . . A 22 ILE C . 18818 1 175 . 1 1 22 22 ILE CA C 13 66.0 0.3 . 1 . . . A 22 ILE CA . 18818 1 176 . 1 1 22 22 ILE CB C 13 37.4 0.3 . 1 . . . A 22 ILE CB . 18818 1 177 . 1 1 22 22 ILE CG1 C 13 29.3 0.3 . 1 . . . A 22 ILE CG1 . 18818 1 178 . 1 1 22 22 ILE CG2 C 13 16.9 0.3 . 1 . . . A 22 ILE CG2 . 18818 1 179 . 1 1 22 22 ILE CD1 C 13 14.8 0.3 . 1 . . . A 22 ILE CD1 . 18818 1 180 . 1 1 22 22 ILE N N 15 118.2 0.3 . 1 . . . A 22 ILE N . 18818 1 181 . 1 1 23 23 GLU H H 1 8.45 0.02 . 1 . . . A 23 GLU H . 18818 1 182 . 1 1 23 23 GLU HA H 1 3.96 0.02 . 1 . . . A 23 GLU HA . 18818 1 183 . 1 1 23 23 GLU HG2 H 1 2.25 0.02 . 2 . . . A 23 GLU HG2 . 18818 1 184 . 1 1 23 23 GLU HG3 H 1 2.20 0.02 . 2 . . . A 23 GLU HG3 . 18818 1 185 . 1 1 23 23 GLU C C 13 178.0 0.3 . 1 . . . A 23 GLU C . 18818 1 186 . 1 1 23 23 GLU CA C 13 60.3 0.3 . 1 . . . A 23 GLU CA . 18818 1 187 . 1 1 23 23 GLU CB C 13 29.5 0.3 . 1 . . . A 23 GLU CB . 18818 1 188 . 1 1 23 23 GLU CG C 13 36.5 0.3 . 1 . . . A 23 GLU CG . 18818 1 189 . 1 1 23 23 GLU N N 15 120.1 0.3 . 1 . . . A 23 GLU N . 18818 1 190 . 1 1 24 24 THR H H 1 8.72 0.02 . 1 . . . A 24 THR H . 18818 1 191 . 1 1 24 24 THR HA H 1 4.01 0.02 . 1 . . . A 24 THR HA . 18818 1 192 . 1 1 24 24 THR HB H 1 4.01 0.02 . 1 . . . A 24 THR HB . 18818 1 193 . 1 1 24 24 THR HG21 H 1 1.25 0.02 . 1 . . . A 24 THR HG21 . 18818 1 194 . 1 1 24 24 THR HG22 H 1 1.25 0.02 . 1 . . . A 24 THR HG22 . 18818 1 195 . 1 1 24 24 THR HG23 H 1 1.25 0.02 . 1 . . . A 24 THR HG23 . 18818 1 196 . 1 1 24 24 THR C C 13 177.0 0.3 . 1 . . . A 24 THR C . 18818 1 197 . 1 1 24 24 THR CA C 13 67.1 0.3 . 1 . . . A 24 THR CA . 18818 1 198 . 1 1 24 24 THR CB C 13 68.2 0.3 . 1 . . . A 24 THR CB . 18818 1 199 . 1 1 24 24 THR CG2 C 13 21.3 0.3 . 1 . . . A 24 THR CG2 . 18818 1 200 . 1 1 24 24 THR N N 15 117.3 0.3 . 1 . . . A 24 THR N . 18818 1 201 . 1 1 25 25 LEU H H 1 8.15 0.02 . 1 . . . A 25 LEU H . 18818 1 202 . 1 1 25 25 LEU HA H 1 4.28 0.02 . 1 . . . A 25 LEU HA . 18818 1 203 . 1 1 25 25 LEU HG H 1 2.22 0.02 . 1 . . . A 25 LEU HG . 18818 1 204 . 1 1 25 25 LEU HD11 H 1 1.09 0.02 . 1 . . . A 25 LEU HD11 . 18818 1 205 . 1 1 25 25 LEU HD12 H 1 1.09 0.02 . 1 . . . A 25 LEU HD12 . 18818 1 206 . 1 1 25 25 LEU HD13 H 1 1.09 0.02 . 1 . . . A 25 LEU HD13 . 18818 1 207 . 1 1 25 25 LEU HD21 H 1 1.16 0.02 . 1 . . . A 25 LEU HD21 . 18818 1 208 . 1 1 25 25 LEU HD22 H 1 1.16 0.02 . 1 . . . A 25 LEU HD22 . 18818 1 209 . 1 1 25 25 LEU HD23 H 1 1.16 0.02 . 1 . . . A 25 LEU HD23 . 18818 1 210 . 1 1 25 25 LEU C C 13 178.2 0.3 . 1 . . . A 25 LEU C . 18818 1 211 . 1 1 25 25 LEU CA C 13 59.3 0.3 . 1 . . . A 25 LEU CA . 18818 1 212 . 1 1 25 25 LEU CB C 13 41.7 0.3 . 1 . . . A 25 LEU CB . 18818 1 213 . 1 1 25 25 LEU CG C 13 26.4 0.3 . 1 . . . A 25 LEU CG . 18818 1 214 . 1 1 25 25 LEU CD1 C 13 26.3 0.3 . 1 . . . A 25 LEU CD1 . 18818 1 215 . 1 1 25 25 LEU CD2 C 13 24.5 0.3 . 1 . . . A 25 LEU CD2 . 18818 1 216 . 1 1 25 25 LEU N N 15 123.4 0.3 . 1 . . . A 25 LEU N . 18818 1 217 . 1 1 26 26 ILE H H 1 8.51 0.02 . 1 . . . A 26 ILE H . 18818 1 218 . 1 1 26 26 ILE HA H 1 4.00 0.02 . 1 . . . A 26 ILE HA . 18818 1 219 . 1 1 26 26 ILE HB H 1 2.01 0.02 . 1 . . . A 26 ILE HB . 18818 1 220 . 1 1 26 26 ILE HG12 H 1 1.60 0.02 . 2 . . . A 26 ILE HG12 . 18818 1 221 . 1 1 26 26 ILE HG13 H 1 1.20 0.02 . 2 . . . A 26 ILE HG13 . 18818 1 222 . 1 1 26 26 ILE HG21 H 1 0.98 0.02 . 1 . . . A 26 ILE HG21 . 18818 1 223 . 1 1 26 26 ILE HG22 H 1 0.98 0.02 . 1 . . . A 26 ILE HG22 . 18818 1 224 . 1 1 26 26 ILE HG23 H 1 0.98 0.02 . 1 . . . A 26 ILE HG23 . 18818 1 225 . 1 1 26 26 ILE HD11 H 1 0.68 0.02 . 1 . . . A 26 ILE HD11 . 18818 1 226 . 1 1 26 26 ILE HD12 H 1 0.68 0.02 . 1 . . . A 26 ILE HD12 . 18818 1 227 . 1 1 26 26 ILE HD13 H 1 0.68 0.02 . 1 . . . A 26 ILE HD13 . 18818 1 228 . 1 1 26 26 ILE C C 13 177.9 0.3 . 1 . . . A 26 ILE C . 18818 1 229 . 1 1 26 26 ILE CA C 13 64.1 0.3 . 1 . . . A 26 ILE CA . 18818 1 230 . 1 1 26 26 ILE CB C 13 37.3 0.3 . 1 . . . A 26 ILE CB . 18818 1 231 . 1 1 26 26 ILE CG1 C 13 28.3 0.3 . 1 . . . A 26 ILE CG1 . 18818 1 232 . 1 1 26 26 ILE CG2 C 13 17.5 0.3 . 1 . . . A 26 ILE CG2 . 18818 1 233 . 1 1 26 26 ILE CD1 C 13 12.9 0.3 . 1 . . . A 26 ILE CD1 . 18818 1 234 . 1 1 26 26 ILE N N 15 119.5 0.3 . 1 . . . A 26 ILE N . 18818 1 235 . 1 1 27 27 LYS H H 1 9.00 0.02 . 1 . . . A 27 LYS H . 18818 1 236 . 1 1 27 27 LYS HA H 1 4.15 0.02 . 1 . . . A 27 LYS HA . 18818 1 237 . 1 1 27 27 LYS HG2 H 1 1.75 0.02 . 2 . . . A 27 LYS HG2 . 18818 1 238 . 1 1 27 27 LYS HG3 H 1 1.55 0.02 . 2 . . . A 27 LYS HG3 . 18818 1 239 . 1 1 27 27 LYS C C 13 179.6 0.3 . 1 . . . A 27 LYS C . 18818 1 240 . 1 1 27 27 LYS CA C 13 60.1 0.3 . 1 . . . A 27 LYS CA . 18818 1 241 . 1 1 27 27 LYS CB C 13 32.0 0.3 . 1 . . . A 27 LYS CB . 18818 1 242 . 1 1 27 27 LYS CG C 13 25.7 0.3 . 1 . . . A 27 LYS CG . 18818 1 243 . 1 1 27 27 LYS CD C 13 29.7 0.3 . 1 . . . A 27 LYS CD . 18818 1 244 . 1 1 27 27 LYS CE C 13 41.8 0.3 . 1 . . . A 27 LYS CE . 18818 1 245 . 1 1 27 27 LYS N N 15 120.5 0.3 . 1 . . . A 27 LYS N . 18818 1 246 . 1 1 28 28 ASN H H 1 7.99 0.02 . 1 . . . A 28 ASN H . 18818 1 247 . 1 1 28 28 ASN HA H 1 4.56 0.02 . 1 . . . A 28 ASN HA . 18818 1 248 . 1 1 28 28 ASN HB2 H 1 2.96 0.02 . 2 . . . A 28 ASN HB2 . 18818 1 249 . 1 1 28 28 ASN HB3 H 1 2.48 0.02 . 2 . . . A 28 ASN HB3 . 18818 1 250 . 1 1 28 28 ASN HD21 H 1 7.62 0.02 . 1 . . . A 28 ASN HD21 . 18818 1 251 . 1 1 28 28 ASN HD22 H 1 7.25 0.02 . 1 . . . A 28 ASN HD22 . 18818 1 252 . 1 1 28 28 ASN C C 13 176.0 0.3 . 1 . . . A 28 ASN C . 18818 1 253 . 1 1 28 28 ASN CA C 13 57.7 0.3 . 1 . . . A 28 ASN CA . 18818 1 254 . 1 1 28 28 ASN CB C 13 40.3 0.3 . 1 . . . A 28 ASN CB . 18818 1 255 . 1 1 28 28 ASN N N 15 117.3 0.3 . 1 . . . A 28 ASN N . 18818 1 256 . 1 1 28 28 ASN ND2 N 15 110.2 0.3 . 1 . . . A 28 ASN ND2 . 18818 1 257 . 1 1 29 29 PHE H H 1 7.99 0.02 . 1 . . . A 29 PHE H . 18818 1 258 . 1 1 29 29 PHE HA H 1 3.91 0.02 . 1 . . . A 29 PHE HA . 18818 1 259 . 1 1 29 29 PHE HB2 H 1 3.33 0.02 . 2 . . . A 29 PHE HB2 . 18818 1 260 . 1 1 29 29 PHE HB3 H 1 2.67 0.02 . 2 . . . A 29 PHE HB3 . 18818 1 261 . 1 1 29 29 PHE HZ H 1 7.27 0.02 . 1 . . . A 29 PHE HZ . 18818 1 262 . 1 1 29 29 PHE C C 13 176.2 0.3 . 1 . . . A 29 PHE C . 18818 1 263 . 1 1 29 29 PHE CA C 13 61.2 0.3 . 1 . . . A 29 PHE CA . 18818 1 264 . 1 1 29 29 PHE CB C 13 38.6 0.3 . 1 . . . A 29 PHE CB . 18818 1 265 . 1 1 29 29 PHE N N 15 119.1 0.3 . 1 . . . A 29 PHE N . 18818 1 266 . 1 1 30 30 HIS H H 1 8.18 0.02 . 1 . . . A 30 HIS H . 18818 1 267 . 1 1 30 30 HIS HA H 1 4.32 0.02 . 1 . . . A 30 HIS HA . 18818 1 268 . 1 1 30 30 HIS HD2 H 1 7.21 0.02 . 1 . . . A 30 HIS HD2 . 18818 1 269 . 1 1 30 30 HIS HE1 H 1 7.09 0.02 . 1 . . . A 30 HIS HE1 . 18818 1 270 . 1 1 30 30 HIS C C 13 177.4 0.3 . 1 . . . A 30 HIS C . 18818 1 271 . 1 1 30 30 HIS CA C 13 58.5 0.3 . 1 . . . A 30 HIS CA . 18818 1 272 . 1 1 30 30 HIS CB C 13 29.6 0.3 . 1 . . . A 30 HIS CB . 18818 1 273 . 1 1 30 30 HIS N N 15 114.7 0.3 . 1 . . . A 30 HIS N . 18818 1 274 . 1 1 31 31 GLN H H 1 8.28 0.02 . 1 . . . A 31 GLN H . 18818 1 275 . 1 1 31 31 GLN HA H 1 4.08 0.02 . 1 . . . A 31 GLN HA . 18818 1 276 . 1 1 31 31 GLN HE21 H 1 7.45 0.02 . 1 . . . A 31 GLN HE21 . 18818 1 277 . 1 1 31 31 GLN HE22 H 1 6.80 0.02 . 1 . . . A 31 GLN HE22 . 18818 1 278 . 1 1 31 31 GLN C C 13 176.6 0.3 . 1 . . . A 31 GLN C . 18818 1 279 . 1 1 31 31 GLN CA C 13 57.8 0.3 . 1 . . . A 31 GLN CA . 18818 1 280 . 1 1 31 31 GLN CB C 13 28.4 0.3 . 1 . . . A 31 GLN CB . 18818 1 281 . 1 1 31 31 GLN CG C 13 33.5 0.3 . 1 . . . A 31 GLN CG . 18818 1 282 . 1 1 31 31 GLN N N 15 118.5 0.3 . 1 . . . A 31 GLN N . 18818 1 283 . 1 1 31 31 GLN NE2 N 15 111.5 0.3 . 1 . . . A 31 GLN NE2 . 18818 1 284 . 1 1 32 32 TYR H H 1 7.41 0.02 . 1 . . . A 32 TYR H . 18818 1 285 . 1 1 32 32 TYR HA H 1 4.21 0.02 . 1 . . . A 32 TYR HA . 18818 1 286 . 1 1 32 32 TYR HB2 H 1 3.11 0.02 . 2 . . . A 32 TYR HB2 . 18818 1 287 . 1 1 32 32 TYR HB3 H 1 2.70 0.02 . 2 . . . A 32 TYR HB3 . 18818 1 288 . 1 1 32 32 TYR C C 13 174.8 0.3 . 1 . . . A 32 TYR C . 18818 1 289 . 1 1 32 32 TYR CA C 13 59.7 0.3 . 1 . . . A 32 TYR CA . 18818 1 290 . 1 1 32 32 TYR CB C 13 38.7 0.3 . 1 . . . A 32 TYR CB . 18818 1 291 . 1 1 32 32 TYR N N 15 115.7 0.3 . 1 . . . A 32 TYR N . 18818 1 292 . 1 1 33 33 SER H H 1 7.26 0.02 . 1 . . . A 33 SER H . 18818 1 293 . 1 1 33 33 SER HA H 1 4.53 0.02 . 1 . . . A 33 SER HA . 18818 1 294 . 1 1 33 33 SER C C 13 175.0 0.3 . 1 . . . A 33 SER C . 18818 1 295 . 1 1 33 33 SER CA C 13 57.2 0.3 . 1 . . . A 33 SER CA . 18818 1 296 . 1 1 33 33 SER CB C 13 63.2 0.3 . 1 . . . A 33 SER CB . 18818 1 297 . 1 1 33 33 SER N N 15 114.0 0.3 . 1 . . . A 33 SER N . 18818 1 298 . 1 1 34 34 VAL H H 1 8.49 0.02 . 1 . . . A 34 VAL H . 18818 1 299 . 1 1 34 34 VAL HA H 1 4.01 0.02 . 1 . . . A 34 VAL HA . 18818 1 300 . 1 1 34 34 VAL HB H 1 2.18 0.02 . 1 . . . A 34 VAL HB . 18818 1 301 . 1 1 34 34 VAL HG11 H 1 1.04 0.02 . 1 . . . A 34 VAL HG11 . 18818 1 302 . 1 1 34 34 VAL HG12 H 1 1.04 0.02 . 1 . . . A 34 VAL HG12 . 18818 1 303 . 1 1 34 34 VAL HG13 H 1 1.04 0.02 . 1 . . . A 34 VAL HG13 . 18818 1 304 . 1 1 34 34 VAL HG21 H 1 0.99 0.02 . 1 . . . A 34 VAL HG21 . 18818 1 305 . 1 1 34 34 VAL HG22 H 1 0.99 0.02 . 1 . . . A 34 VAL HG22 . 18818 1 306 . 1 1 34 34 VAL HG23 H 1 0.99 0.02 . 1 . . . A 34 VAL HG23 . 18818 1 307 . 1 1 34 34 VAL C C 13 177.8 0.3 . 1 . . . A 34 VAL C . 18818 1 308 . 1 1 34 34 VAL CA C 13 64.4 0.3 . 1 . . . A 34 VAL CA . 18818 1 309 . 1 1 34 34 VAL CB C 13 32.1 0.3 . 1 . . . A 34 VAL CB . 18818 1 310 . 1 1 34 34 VAL CG1 C 13 21.4 0.3 . 1 . . . A 34 VAL CG1 . 18818 1 311 . 1 1 34 34 VAL N N 15 126.6 0.3 . 1 . . . A 34 VAL N . 18818 1 312 . 1 1 35 35 GLU H H 1 8.98 0.02 . 1 . . . A 35 GLU H . 18818 1 313 . 1 1 35 35 GLU HA H 1 4.25 0.02 . 1 . . . A 35 GLU HA . 18818 1 314 . 1 1 35 35 GLU HB2 H 1 2.11 0.02 . 2 . . . A 35 GLU HB2 . 18818 1 315 . 1 1 35 35 GLU HB3 H 1 2.05 0.02 . 2 . . . A 35 GLU HB3 . 18818 1 316 . 1 1 35 35 GLU C C 13 177.8 0.3 . 1 . . . A 35 GLU C . 18818 1 317 . 1 1 35 35 GLU CA C 13 57.5 0.3 . 1 . . . A 35 GLU CA . 18818 1 318 . 1 1 35 35 GLU CB C 13 29.8 0.3 . 1 . . . A 35 GLU CB . 18818 1 319 . 1 1 35 35 GLU CG C 13 36.4 0.3 . 1 . . . A 35 GLU CG . 18818 1 320 . 1 1 35 35 GLU N N 15 122.1 0.3 . 1 . . . A 35 GLU N . 18818 1 321 . 1 1 36 36 GLY H H 1 8.49 0.02 . 1 . . . A 36 GLY H . 18818 1 322 . 1 1 36 36 GLY C C 13 175.0 0.3 . 1 . . . A 36 GLY C . 18818 1 323 . 1 1 36 36 GLY CA C 13 45.3 0.3 . 1 . . . A 36 GLY CA . 18818 1 324 . 1 1 36 36 GLY N N 15 108.5 0.3 . 1 . . . A 36 GLY N . 18818 1 325 . 1 1 37 37 GLY H H 1 8.14 0.02 . 1 . . . A 37 GLY H . 18818 1 326 . 1 1 37 37 GLY C C 13 174.1 0.3 . 1 . . . A 37 GLY C . 18818 1 327 . 1 1 37 37 GLY CA C 13 45.8 0.3 . 1 . . . A 37 GLY CA . 18818 1 328 . 1 1 37 37 GLY N N 15 108.7 0.3 . 1 . . . A 37 GLY N . 18818 1 329 . 1 1 38 38 LYS H H 1 8.05 0.02 . 1 . . . A 38 LYS H . 18818 1 330 . 1 1 38 38 LYS HA H 1 4.47 0.02 . 1 . . . A 38 LYS HA . 18818 1 331 . 1 1 38 38 LYS HG2 H 1 1.52 0.02 . 2 . . . A 38 LYS HG2 . 18818 1 332 . 1 1 38 38 LYS HG3 H 1 1.45 0.02 . 2 . . . A 38 LYS HG3 . 18818 1 333 . 1 1 38 38 LYS HD2 H 1 1.74 0.02 . 2 . . . A 38 LYS HD2 . 18818 1 334 . 1 1 38 38 LYS HD3 H 1 1.68 0.02 . 2 . . . A 38 LYS HD3 . 18818 1 335 . 1 1 38 38 LYS C C 13 176.0 0.3 . 1 . . . A 38 LYS C . 18818 1 336 . 1 1 38 38 LYS CA C 13 56.1 0.3 . 1 . . . A 38 LYS CA . 18818 1 337 . 1 1 38 38 LYS CB C 13 32.7 0.3 . 1 . . . A 38 LYS CB . 18818 1 338 . 1 1 38 38 LYS CG C 13 24.6 0.3 . 1 . . . A 38 LYS CG . 18818 1 339 . 1 1 38 38 LYS CD C 13 28.9 0.3 . 1 . . . A 38 LYS CD . 18818 1 340 . 1 1 38 38 LYS CE C 13 42.0 0.3 . 1 . . . A 38 LYS CE . 18818 1 341 . 1 1 38 38 LYS N N 15 118.0 0.3 . 1 . . . A 38 LYS N . 18818 1 342 . 1 1 39 39 GLU H H 1 8.63 0.02 . 1 . . . A 39 GLU H . 18818 1 343 . 1 1 39 39 GLU HA H 1 4.56 0.02 . 1 . . . A 39 GLU HA . 18818 1 344 . 1 1 39 39 GLU HB2 H 1 2.38 0.02 . 2 . . . A 39 GLU HB2 . 18818 1 345 . 1 1 39 39 GLU HB3 H 1 2.19 0.02 . 2 . . . A 39 GLU HB3 . 18818 1 346 . 1 1 39 39 GLU HG2 H 1 2.42 0.02 . 2 . . . A 39 GLU HG2 . 18818 1 347 . 1 1 39 39 GLU HG3 H 1 2.33 0.02 . 2 . . . A 39 GLU HG3 . 18818 1 348 . 1 1 39 39 GLU C C 13 175.6 0.3 . 1 . . . A 39 GLU C . 18818 1 349 . 1 1 39 39 GLU CA C 13 56.8 0.3 . 1 . . . A 39 GLU CA . 18818 1 350 . 1 1 39 39 GLU CB C 13 30.2 0.3 . 1 . . . A 39 GLU CB . 18818 1 351 . 1 1 39 39 GLU CG C 13 36.4 0.3 . 1 . . . A 39 GLU CG . 18818 1 352 . 1 1 39 39 GLU N N 15 118.1 0.3 . 1 . . . A 39 GLU N . 18818 1 353 . 1 1 40 40 THR H H 1 7.49 0.02 . 1 . . . A 40 THR H . 18818 1 354 . 1 1 40 40 THR HA H 1 5.16 0.02 . 1 . . . A 40 THR HA . 18818 1 355 . 1 1 40 40 THR HB H 1 4.15 0.02 . 1 . . . A 40 THR HB . 18818 1 356 . 1 1 40 40 THR HG21 H 1 1.21 0.02 . 1 . . . A 40 THR HG21 . 18818 1 357 . 1 1 40 40 THR HG22 H 1 1.21 0.02 . 1 . . . A 40 THR HG22 . 18818 1 358 . 1 1 40 40 THR HG23 H 1 1.21 0.02 . 1 . . . A 40 THR HG23 . 18818 1 359 . 1 1 40 40 THR C C 13 173.4 0.3 . 1 . . . A 40 THR C . 18818 1 360 . 1 1 40 40 THR CA C 13 59.3 0.3 . 1 . . . A 40 THR CA . 18818 1 361 . 1 1 40 40 THR CB C 13 72.1 0.3 . 1 . . . A 40 THR CB . 18818 1 362 . 1 1 40 40 THR CG2 C 13 21.8 0.3 . 1 . . . A 40 THR CG2 . 18818 1 363 . 1 1 40 40 THR N N 15 108.1 0.3 . 1 . . . A 40 THR N . 18818 1 364 . 1 1 41 41 LEU H H 1 8.66 0.02 . 1 . . . A 41 LEU H . 18818 1 365 . 1 1 41 41 LEU HA H 1 5.04 0.02 . 1 . . . A 41 LEU HA . 18818 1 366 . 1 1 41 41 LEU HB2 H 1 1.73 0.02 . 2 . . . A 41 LEU HB2 . 18818 1 367 . 1 1 41 41 LEU HB3 H 1 1.50 0.02 . 2 . . . A 41 LEU HB3 . 18818 1 368 . 1 1 41 41 LEU HG H 1 1.24 0.02 . 1 . . . A 41 LEU HG . 18818 1 369 . 1 1 41 41 LEU HD11 H 1 0.58 0.02 . 1 . . . A 41 LEU HD11 . 18818 1 370 . 1 1 41 41 LEU HD12 H 1 0.58 0.02 . 1 . . . A 41 LEU HD12 . 18818 1 371 . 1 1 41 41 LEU HD13 H 1 0.58 0.02 . 1 . . . A 41 LEU HD13 . 18818 1 372 . 1 1 41 41 LEU HD21 H 1 0.68 0.02 . 1 . . . A 41 LEU HD21 . 18818 1 373 . 1 1 41 41 LEU HD22 H 1 0.68 0.02 . 1 . . . A 41 LEU HD22 . 18818 1 374 . 1 1 41 41 LEU HD23 H 1 0.68 0.02 . 1 . . . A 41 LEU HD23 . 18818 1 375 . 1 1 41 41 LEU C C 13 177.0 0.3 . 1 . . . A 41 LEU C . 18818 1 376 . 1 1 41 41 LEU CA C 13 53.3 0.3 . 1 . . . A 41 LEU CA . 18818 1 377 . 1 1 41 41 LEU CB C 13 45.3 0.3 . 1 . . . A 41 LEU CB . 18818 1 378 . 1 1 41 41 LEU CG C 13 26.7 0.3 . 1 . . . A 41 LEU CG . 18818 1 379 . 1 1 41 41 LEU CD1 C 13 26.5 0.3 . 1 . . . A 41 LEU CD1 . 18818 1 380 . 1 1 41 41 LEU CD2 C 13 23.1 0.3 . 1 . . . A 41 LEU CD2 . 18818 1 381 . 1 1 41 41 LEU N N 15 120.7 0.3 . 1 . . . A 41 LEU N . 18818 1 382 . 1 1 42 42 THR H H 1 9.13 0.02 . 1 . . . A 42 THR H . 18818 1 383 . 1 1 42 42 THR HA H 1 5.00 0.02 . 1 . . . A 42 THR HA . 18818 1 384 . 1 1 42 42 THR HB H 1 4.85 0.02 . 1 . . . A 42 THR HB . 18818 1 385 . 1 1 42 42 THR HG21 H 1 1.40 0.02 . 1 . . . A 42 THR HG21 . 18818 1 386 . 1 1 42 42 THR HG22 H 1 1.40 0.02 . 1 . . . A 42 THR HG22 . 18818 1 387 . 1 1 42 42 THR HG23 H 1 1.40 0.02 . 1 . . . A 42 THR HG23 . 18818 1 388 . 1 1 42 42 THR C C 13 174.1 0.3 . 1 . . . A 42 THR C . 18818 1 389 . 1 1 42 42 THR CA C 13 59.8 0.3 . 1 . . . A 42 THR CA . 18818 1 390 . 1 1 42 42 THR CB C 13 68.1 0.3 . 1 . . . A 42 THR CB . 18818 1 391 . 1 1 42 42 THR CG2 C 13 21.7 0.3 . 1 . . . A 42 THR CG2 . 18818 1 392 . 1 1 42 42 THR N N 15 113.5 0.3 . 1 . . . A 42 THR N . 18818 1 393 . 1 1 43 43 PRO HA H 1 4.15 0.02 . 1 . . . A 43 PRO HA . 18818 1 394 . 1 1 43 43 PRO HB2 H 1 2.41 0.02 . 2 . . . A 43 PRO HB2 . 18818 1 395 . 1 1 43 43 PRO HB3 H 1 2.02 0.02 . 2 . . . A 43 PRO HB3 . 18818 1 396 . 1 1 43 43 PRO HG2 H 1 2.37 0.02 . 2 . . . A 43 PRO HG2 . 18818 1 397 . 1 1 43 43 PRO HG3 H 1 2.24 0.02 . 2 . . . A 43 PRO HG3 . 18818 1 398 . 1 1 43 43 PRO HD2 H 1 4.04 0.02 . 2 . . . A 43 PRO HD2 . 18818 1 399 . 1 1 43 43 PRO HD3 H 1 3.93 0.02 . 2 . . . A 43 PRO HD3 . 18818 1 400 . 1 1 43 43 PRO C C 13 178.6 0.3 . 1 . . . A 43 PRO C . 18818 1 401 . 1 1 43 43 PRO CA C 13 66.2 0.3 . 1 . . . A 43 PRO CA . 18818 1 402 . 1 1 43 43 PRO CB C 13 31.7 0.3 . 1 . . . A 43 PRO CB . 18818 1 403 . 1 1 43 43 PRO CG C 13 28.6 0.3 . 1 . . . A 43 PRO CG . 18818 1 404 . 1 1 43 43 PRO CD C 13 50.0 0.3 . 1 . . . A 43 PRO CD . 18818 1 405 . 1 1 44 44 SER H H 1 8.09 0.02 . 1 . . . A 44 SER H . 18818 1 406 . 1 1 44 44 SER HA H 1 4.17 0.02 . 1 . . . A 44 SER HA . 18818 1 407 . 1 1 44 44 SER C C 13 176.2 0.3 . 1 . . . A 44 SER C . 18818 1 408 . 1 1 44 44 SER CA C 13 61.5 0.3 . 1 . . . A 44 SER CA . 18818 1 409 . 1 1 44 44 SER CB C 13 62.2 0.3 . 1 . . . A 44 SER CB . 18818 1 410 . 1 1 44 44 SER N N 15 111.6 0.3 . 1 . . . A 44 SER N . 18818 1 411 . 1 1 45 45 GLU H H 1 7.70 0.02 . 1 . . . A 45 GLU H . 18818 1 412 . 1 1 45 45 GLU HA H 1 4.26 0.02 . 1 . . . A 45 GLU HA . 18818 1 413 . 1 1 45 45 GLU HG2 H 1 2.51 0.02 . 2 . . . A 45 GLU HG2 . 18818 1 414 . 1 1 45 45 GLU HG3 H 1 2.43 0.02 . 2 . . . A 45 GLU HG3 . 18818 1 415 . 1 1 45 45 GLU C C 13 179.0 0.3 . 1 . . . A 45 GLU C . 18818 1 416 . 1 1 45 45 GLU CA C 13 59.1 0.3 . 1 . . . A 45 GLU CA . 18818 1 417 . 1 1 45 45 GLU CB C 13 29.7 0.3 . 1 . . . A 45 GLU CB . 18818 1 418 . 1 1 45 45 GLU CG C 13 36.1 0.3 . 1 . . . A 45 GLU CG . 18818 1 419 . 1 1 45 45 GLU N N 15 123.9 0.3 . 1 . . . A 45 GLU N . 18818 1 420 . 1 1 46 46 LEU H H 1 8.40 0.02 . 1 . . . A 46 LEU H . 18818 1 421 . 1 1 46 46 LEU HA H 1 4.08 0.02 . 1 . . . A 46 LEU HA . 18818 1 422 . 1 1 46 46 LEU HB2 H 1 2.00 0.02 . 2 . . . A 46 LEU HB2 . 18818 1 423 . 1 1 46 46 LEU HB3 H 1 1.47 0.02 . 2 . . . A 46 LEU HB3 . 18818 1 424 . 1 1 46 46 LEU HG H 1 1.60 0.02 . 1 . . . A 46 LEU HG . 18818 1 425 . 1 1 46 46 LEU HD11 H 1 0.97 0.02 . 1 . . . A 46 LEU HD11 . 18818 1 426 . 1 1 46 46 LEU HD12 H 1 0.97 0.02 . 1 . . . A 46 LEU HD12 . 18818 1 427 . 1 1 46 46 LEU HD13 H 1 0.97 0.02 . 1 . . . A 46 LEU HD13 . 18818 1 428 . 1 1 46 46 LEU HD21 H 1 1.08 0.02 . 1 . . . A 46 LEU HD21 . 18818 1 429 . 1 1 46 46 LEU HD22 H 1 1.08 0.02 . 1 . . . A 46 LEU HD22 . 18818 1 430 . 1 1 46 46 LEU HD23 H 1 1.08 0.02 . 1 . . . A 46 LEU HD23 . 18818 1 431 . 1 1 46 46 LEU C C 13 177.6 0.3 . 1 . . . A 46 LEU C . 18818 1 432 . 1 1 46 46 LEU CA C 13 57.3 0.3 . 1 . . . A 46 LEU CA . 18818 1 433 . 1 1 46 46 LEU CB C 13 40.9 0.3 . 1 . . . A 46 LEU CB . 18818 1 434 . 1 1 46 46 LEU CG C 13 26.6 0.3 . 1 . . . A 46 LEU CG . 18818 1 435 . 1 1 46 46 LEU CD1 C 13 26.4 0.3 . 1 . . . A 46 LEU CD1 . 18818 1 436 . 1 1 46 46 LEU CD2 C 13 23.8 0.3 . 1 . . . A 46 LEU CD2 . 18818 1 437 . 1 1 46 46 LEU N N 15 118.9 0.3 . 1 . . . A 46 LEU N . 18818 1 438 . 1 1 47 47 ARG H H 1 8.26 0.02 . 1 . . . A 47 ARG H . 18818 1 439 . 1 1 47 47 ARG HA H 1 3.77 0.02 . 1 . . . A 47 ARG HA . 18818 1 440 . 1 1 47 47 ARG HB2 H 1 2.16 0.02 . 2 . . . A 47 ARG HB2 . 18818 1 441 . 1 1 47 47 ARG HB3 H 1 1.95 0.02 . 2 . . . A 47 ARG HB3 . 18818 1 442 . 1 1 47 47 ARG HD2 H 1 3.26 0.02 . 2 . . . A 47 ARG HD2 . 18818 1 443 . 1 1 47 47 ARG HD3 H 1 3.07 0.02 . 2 . . . A 47 ARG HD3 . 18818 1 444 . 1 1 47 47 ARG C C 13 178.9 0.3 . 1 . . . A 47 ARG C . 18818 1 445 . 1 1 47 47 ARG CA C 13 60.0 0.3 . 1 . . . A 47 ARG CA . 18818 1 446 . 1 1 47 47 ARG CB C 13 29.0 0.3 . 1 . . . A 47 ARG CB . 18818 1 447 . 1 1 47 47 ARG CG C 13 27.1 0.3 . 1 . . . A 47 ARG CG . 18818 1 448 . 1 1 47 47 ARG CD C 13 43.1 0.3 . 1 . . . A 47 ARG CD . 18818 1 449 . 1 1 47 47 ARG N N 15 119.3 0.3 . 1 . . . A 47 ARG N . 18818 1 450 . 1 1 48 48 ASP H H 1 8.16 0.02 . 1 . . . A 48 ASP H . 18818 1 451 . 1 1 48 48 ASP HA H 1 4.43 0.02 . 1 . . . A 48 ASP HA . 18818 1 452 . 1 1 48 48 ASP HB2 H 1 3.08 0.02 . 2 . . . A 48 ASP HB2 . 18818 1 453 . 1 1 48 48 ASP HB3 H 1 2.81 0.02 . 2 . . . A 48 ASP HB3 . 18818 1 454 . 1 1 48 48 ASP C C 13 176.7 0.3 . 1 . . . A 48 ASP C . 18818 1 455 . 1 1 48 48 ASP CA C 13 57.5 0.3 . 1 . . . A 48 ASP CA . 18818 1 456 . 1 1 48 48 ASP CB C 13 39.4 0.3 . 1 . . . A 48 ASP CB . 18818 1 457 . 1 1 48 48 ASP CG C 13 179.1 0.3 . 1 . . . A 48 ASP CG . 18818 1 458 . 1 1 48 48 ASP N N 15 122.3 0.3 . 1 . . . A 48 ASP N . 18818 1 459 . 1 1 49 49 LEU H H 1 7.98 0.02 . 1 . . . A 49 LEU H . 18818 1 460 . 1 1 49 49 LEU HA H 1 3.17 0.02 . 1 . . . A 49 LEU HA . 18818 1 461 . 1 1 49 49 LEU HB2 H 1 1.75 0.02 . 2 . . . A 49 LEU HB2 . 18818 1 462 . 1 1 49 49 LEU HB3 H 1 1.09 0.02 . 2 . . . A 49 LEU HB3 . 18818 1 463 . 1 1 49 49 LEU HG H 1 1.24 0.02 . 1 . . . A 49 LEU HG . 18818 1 464 . 1 1 49 49 LEU HD11 H 1 0.68 0.02 . 1 . . . A 49 LEU HD11 . 18818 1 465 . 1 1 49 49 LEU HD12 H 1 0.68 0.02 . 1 . . . A 49 LEU HD12 . 18818 1 466 . 1 1 49 49 LEU HD13 H 1 0.68 0.02 . 1 . . . A 49 LEU HD13 . 18818 1 467 . 1 1 49 49 LEU HD21 H 1 0.65 0.02 . 1 . . . A 49 LEU HD21 . 18818 1 468 . 1 1 49 49 LEU HD22 H 1 0.65 0.02 . 1 . . . A 49 LEU HD22 . 18818 1 469 . 1 1 49 49 LEU HD23 H 1 0.65 0.02 . 1 . . . A 49 LEU HD23 . 18818 1 470 . 1 1 49 49 LEU C C 13 179.1 0.3 . 1 . . . A 49 LEU C . 18818 1 471 . 1 1 49 49 LEU CA C 13 59.0 0.3 . 1 . . . A 49 LEU CA . 18818 1 472 . 1 1 49 49 LEU CB C 13 41.3 0.3 . 1 . . . A 49 LEU CB . 18818 1 473 . 1 1 49 49 LEU CG C 13 27.6 0.3 . 1 . . . A 49 LEU CG . 18818 1 474 . 1 1 49 49 LEU CD1 C 13 25.6 0.3 . 1 . . . A 49 LEU CD1 . 18818 1 475 . 1 1 49 49 LEU CD2 C 13 24.6 0.3 . 1 . . . A 49 LEU CD2 . 18818 1 476 . 1 1 49 49 LEU N N 15 122.6 0.3 . 1 . . . A 49 LEU N . 18818 1 477 . 1 1 50 50 VAL H H 1 8.39 0.02 . 1 . . . A 50 VAL H . 18818 1 478 . 1 1 50 50 VAL HA H 1 3.55 0.02 . 1 . . . A 50 VAL HA . 18818 1 479 . 1 1 50 50 VAL HB H 1 2.18 0.02 . 1 . . . A 50 VAL HB . 18818 1 480 . 1 1 50 50 VAL HG11 H 1 1.05 0.02 . 1 . . . A 50 VAL HG11 . 18818 1 481 . 1 1 50 50 VAL HG12 H 1 1.05 0.02 . 1 . . . A 50 VAL HG12 . 18818 1 482 . 1 1 50 50 VAL HG13 H 1 1.05 0.02 . 1 . . . A 50 VAL HG13 . 18818 1 483 . 1 1 50 50 VAL HG21 H 1 1.01 0.02 . 1 . . . A 50 VAL HG21 . 18818 1 484 . 1 1 50 50 VAL HG22 H 1 1.01 0.02 . 1 . . . A 50 VAL HG22 . 18818 1 485 . 1 1 50 50 VAL HG23 H 1 1.01 0.02 . 1 . . . A 50 VAL HG23 . 18818 1 486 . 1 1 50 50 VAL C C 13 178.8 0.3 . 1 . . . A 50 VAL C . 18818 1 487 . 1 1 50 50 VAL CA C 13 66.4 0.3 . 1 . . . A 50 VAL CA . 18818 1 488 . 1 1 50 50 VAL CB C 13 31.5 0.3 . 1 . . . A 50 VAL CB . 18818 1 489 . 1 1 50 50 VAL CG1 C 13 22.4 0.3 . 1 . . . A 50 VAL CG1 . 18818 1 490 . 1 1 50 50 VAL CG2 C 13 22.2 0.3 . 1 . . . A 50 VAL CG2 . 18818 1 491 . 1 1 50 50 VAL N N 15 118.2 0.3 . 1 . . . A 50 VAL N . 18818 1 492 . 1 1 51 51 THR H H 1 8.48 0.02 . 1 . . . A 51 THR H . 18818 1 493 . 1 1 51 51 THR HA H 1 3.99 0.02 . 1 . . . A 51 THR HA . 18818 1 494 . 1 1 51 51 THR HB H 1 4.35 0.02 . 1 . . . A 51 THR HB . 18818 1 495 . 1 1 51 51 THR HG21 H 1 1.32 0.02 . 1 . . . A 51 THR HG21 . 18818 1 496 . 1 1 51 51 THR HG22 H 1 1.32 0.02 . 1 . . . A 51 THR HG22 . 18818 1 497 . 1 1 51 51 THR HG23 H 1 1.32 0.02 . 1 . . . A 51 THR HG23 . 18818 1 498 . 1 1 51 51 THR C C 13 176.0 0.3 . 1 . . . A 51 THR C . 18818 1 499 . 1 1 51 51 THR CA C 13 65.8 0.3 . 1 . . . A 51 THR CA . 18818 1 500 . 1 1 51 51 THR CB C 13 68.9 0.3 . 1 . . . A 51 THR CB . 18818 1 501 . 1 1 51 51 THR CG2 C 13 21.3 0.3 . 1 . . . A 51 THR CG2 . 18818 1 502 . 1 1 51 51 THR N N 15 115.0 0.3 . 1 . . . A 51 THR N . 18818 1 503 . 1 1 52 52 GLN H H 1 8.18 0.02 . 1 . . . A 52 GLN H . 18818 1 504 . 1 1 52 52 GLN HA H 1 4.25 0.02 . 1 . . . A 52 GLN HA . 18818 1 505 . 1 1 52 52 GLN HB2 H 1 2.32 0.02 . 2 . . . A 52 GLN HB2 . 18818 1 506 . 1 1 52 52 GLN HB3 H 1 2.22 0.02 . 2 . . . A 52 GLN HB3 . 18818 1 507 . 1 1 52 52 GLN HG2 H 1 2.84 0.02 . 2 . . . A 52 GLN HG2 . 18818 1 508 . 1 1 52 52 GLN HG3 H 1 2.60 0.02 . 2 . . . A 52 GLN HG3 . 18818 1 509 . 1 1 52 52 GLN C C 13 178.3 0.3 . 1 . . . A 52 GLN C . 18818 1 510 . 1 1 52 52 GLN CA C 13 57.8 0.3 . 1 . . . A 52 GLN CA . 18818 1 511 . 1 1 52 52 GLN CB C 13 28.5 0.3 . 1 . . . A 52 GLN CB . 18818 1 512 . 1 1 52 52 GLN CG C 13 34.1 0.3 . 1 . . . A 52 GLN CG . 18818 1 513 . 1 1 52 52 GLN CD C 13 181.0 0.3 . 1 . . . A 52 GLN CD . 18818 1 514 . 1 1 52 52 GLN N N 15 116.4 0.3 . 1 . . . A 52 GLN N . 18818 1 515 . 1 1 53 53 GLN H H 1 8.49 0.02 . 1 . . . A 53 GLN H . 18818 1 516 . 1 1 53 53 GLN HA H 1 4.85 0.02 . 1 . . . A 53 GLN HA . 18818 1 517 . 1 1 53 53 GLN HB2 H 1 2.28 0.02 . 2 . . . A 53 GLN HB2 . 18818 1 518 . 1 1 53 53 GLN HB3 H 1 2.03 0.02 . 2 . . . A 53 GLN HB3 . 18818 1 519 . 1 1 53 53 GLN HG2 H 1 2.68 0.02 . 2 . . . A 53 GLN HG2 . 18818 1 520 . 1 1 53 53 GLN HG3 H 1 2.59 0.02 . 2 . . . A 53 GLN HG3 . 18818 1 521 . 1 1 53 53 GLN HE21 H 1 7.20 0.02 . 1 . . . A 53 GLN HE21 . 18818 1 522 . 1 1 53 53 GLN HE22 H 1 6.77 0.02 . 1 . . . A 53 GLN HE22 . 18818 1 523 . 1 1 53 53 GLN C C 13 176.9 0.3 . 1 . . . A 53 GLN C . 18818 1 524 . 1 1 53 53 GLN CA C 13 55.0 0.3 . 1 . . . A 53 GLN CA . 18818 1 525 . 1 1 53 53 GLN CB C 13 28.4 0.3 . 1 . . . A 53 GLN CB . 18818 1 526 . 1 1 53 53 GLN CG C 13 32.1 0.3 . 1 . . . A 53 GLN CG . 18818 1 527 . 1 1 53 53 GLN N N 15 112.1 0.3 . 1 . . . A 53 GLN N . 18818 1 528 . 1 1 53 53 GLN NE2 N 15 110.9 0.3 . 1 . . . A 53 GLN NE2 . 18818 1 529 . 1 1 54 54 LEU H H 1 7.92 0.02 . 1 . . . A 54 LEU H . 18818 1 530 . 1 1 54 54 LEU HA H 1 5.25 0.02 . 1 . . . A 54 LEU HA . 18818 1 531 . 1 1 54 54 LEU HB2 H 1 1.96 0.02 . 2 . . . A 54 LEU HB2 . 18818 1 532 . 1 1 54 54 LEU HB3 H 1 1.74 0.02 . 2 . . . A 54 LEU HB3 . 18818 1 533 . 1 1 54 54 LEU HG H 1 1.57 0.02 . 1 . . . A 54 LEU HG . 18818 1 534 . 1 1 54 54 LEU HD11 H 1 0.86 0.02 . 1 . . . A 54 LEU HD11 . 18818 1 535 . 1 1 54 54 LEU HD12 H 1 0.86 0.02 . 1 . . . A 54 LEU HD12 . 18818 1 536 . 1 1 54 54 LEU HD13 H 1 0.86 0.02 . 1 . . . A 54 LEU HD13 . 18818 1 537 . 1 1 54 54 LEU HD21 H 1 0.82 0.02 . 1 . . . A 54 LEU HD21 . 18818 1 538 . 1 1 54 54 LEU HD22 H 1 0.82 0.02 . 1 . . . A 54 LEU HD22 . 18818 1 539 . 1 1 54 54 LEU HD23 H 1 0.82 0.02 . 1 . . . A 54 LEU HD23 . 18818 1 540 . 1 1 54 54 LEU C C 13 176.9 0.3 . 1 . . . A 54 LEU C . 18818 1 541 . 1 1 54 54 LEU CA C 13 53.9 0.3 . 1 . . . A 54 LEU CA . 18818 1 542 . 1 1 54 54 LEU CB C 13 42.1 0.3 . 1 . . . A 54 LEU CB . 18818 1 543 . 1 1 54 54 LEU CG C 13 26.8 0.3 . 1 . . . A 54 LEU CG . 18818 1 544 . 1 1 54 54 LEU CD1 C 13 24.7 0.3 . 1 . . . A 54 LEU CD1 . 18818 1 545 . 1 1 54 54 LEU CD2 C 13 23.3 0.3 . 1 . . . A 54 LEU CD2 . 18818 1 546 . 1 1 54 54 LEU N N 15 119.8 0.3 . 1 . . . A 54 LEU N . 18818 1 547 . 1 1 55 55 PRO HA H 1 4.47 0.02 . 1 . . . A 55 PRO HA . 18818 1 548 . 1 1 55 55 PRO HB2 H 1 2.20 0.02 . 2 . . . A 55 PRO HB2 . 18818 1 549 . 1 1 55 55 PRO HB3 H 1 1.58 0.02 . 2 . . . A 55 PRO HB3 . 18818 1 550 . 1 1 55 55 PRO HG2 H 1 1.95 0.02 . 2 . . . A 55 PRO HG2 . 18818 1 551 . 1 1 55 55 PRO HG3 H 1 1.21 0.02 . 2 . . . A 55 PRO HG3 . 18818 1 552 . 1 1 55 55 PRO HD2 H 1 3.53 0.02 . 2 . . . A 55 PRO HD2 . 18818 1 553 . 1 1 55 55 PRO HD3 H 1 3.38 0.02 . 2 . . . A 55 PRO HD3 . 18818 1 554 . 1 1 55 55 PRO C C 13 178.3 0.3 . 1 . . . A 55 PRO C . 18818 1 555 . 1 1 55 55 PRO CA C 13 65.3 0.3 . 1 . . . A 55 PRO CA . 18818 1 556 . 1 1 55 55 PRO CB C 13 30.7 0.3 . 1 . . . A 55 PRO CB . 18818 1 557 . 1 1 55 55 PRO CG C 13 27.0 0.3 . 1 . . . A 55 PRO CG . 18818 1 558 . 1 1 55 55 PRO CD C 13 49.8 0.3 . 1 . . . A 55 PRO CD . 18818 1 559 . 1 1 56 56 HIS H H 1 9.77 0.02 . 1 . . . A 56 HIS H . 18818 1 560 . 1 1 56 56 HIS HA H 1 4.59 0.02 . 1 . . . A 56 HIS HA . 18818 1 561 . 1 1 56 56 HIS HB2 H 1 3.46 0.02 . 2 . . . A 56 HIS HB2 . 18818 1 562 . 1 1 56 56 HIS HB3 H 1 3.01 0.02 . 2 . . . A 56 HIS HB3 . 18818 1 563 . 1 1 56 56 HIS HD1 H 1 7.47 0.02 . 1 . . . A 56 HIS HD1 . 18818 1 564 . 1 1 56 56 HIS HE1 H 1 7.13 0.02 . 1 . . . A 56 HIS HE1 . 18818 1 565 . 1 1 56 56 HIS C C 13 176.3 0.3 . 1 . . . A 56 HIS C . 18818 1 566 . 1 1 56 56 HIS CA C 13 57.8 0.3 . 1 . . . A 56 HIS CA . 18818 1 567 . 1 1 56 56 HIS CB C 13 28.3 0.3 . 1 . . . A 56 HIS CB . 18818 1 568 . 1 1 56 56 HIS N N 15 116.5 0.3 . 1 . . . A 56 HIS N . 18818 1 569 . 1 1 57 57 LEU H H 1 7.83 0.02 . 1 . . . A 57 LEU H . 18818 1 570 . 1 1 57 57 LEU HA H 1 4.33 0.02 . 1 . . . A 57 LEU HA . 18818 1 571 . 1 1 57 57 LEU HB2 H 1 1.99 0.02 . 2 . . . A 57 LEU HB2 . 18818 1 572 . 1 1 57 57 LEU HB3 H 1 1.55 0.02 . 2 . . . A 57 LEU HB3 . 18818 1 573 . 1 1 57 57 LEU HG H 1 1.74 0.02 . 1 . . . A 57 LEU HG . 18818 1 574 . 1 1 57 57 LEU HD11 H 1 0.77 0.02 . 1 . . . A 57 LEU HD11 . 18818 1 575 . 1 1 57 57 LEU HD12 H 1 0.77 0.02 . 1 . . . A 57 LEU HD12 . 18818 1 576 . 1 1 57 57 LEU HD13 H 1 0.77 0.02 . 1 . . . A 57 LEU HD13 . 18818 1 577 . 1 1 57 57 LEU HD21 H 1 0.75 0.02 . 1 . . . A 57 LEU HD21 . 18818 1 578 . 1 1 57 57 LEU HD22 H 1 0.75 0.02 . 1 . . . A 57 LEU HD22 . 18818 1 579 . 1 1 57 57 LEU HD23 H 1 0.75 0.02 . 1 . . . A 57 LEU HD23 . 18818 1 580 . 1 1 57 57 LEU C C 13 176.4 0.3 . 1 . . . A 57 LEU C . 18818 1 581 . 1 1 57 57 LEU CA C 13 55.4 0.3 . 1 . . . A 57 LEU CA . 18818 1 582 . 1 1 57 57 LEU CB C 13 42.5 0.3 . 1 . . . A 57 LEU CB . 18818 1 583 . 1 1 57 57 LEU CG C 13 26.6 0.3 . 1 . . . A 57 LEU CG . 18818 1 584 . 1 1 57 57 LEU CD1 C 13 25.1 0.3 . 1 . . . A 57 LEU CD1 . 18818 1 585 . 1 1 57 57 LEU CD2 C 13 22.4 0.3 . 1 . . . A 57 LEU CD2 . 18818 1 586 . 1 1 57 57 LEU N N 15 116.6 0.3 . 1 . . . A 57 LEU N . 18818 1 587 . 1 1 58 58 MET H H 1 7.97 0.02 . 1 . . . A 58 MET H . 18818 1 588 . 1 1 58 58 MET HA H 1 4.54 0.02 . 1 . . . A 58 MET HA . 18818 1 589 . 1 1 58 58 MET HB2 H 1 2.42 0.02 . 2 . . . A 58 MET HB2 . 18818 1 590 . 1 1 58 58 MET HB3 H 1 1.86 0.02 . 2 . . . A 58 MET HB3 . 18818 1 591 . 1 1 58 58 MET HE1 H 1 1.96 0.02 . 1 . . . A 58 MET HE1 . 18818 1 592 . 1 1 58 58 MET HE2 H 1 1.96 0.02 . 1 . . . A 58 MET HE2 . 18818 1 593 . 1 1 58 58 MET HE3 H 1 1.96 0.02 . 1 . . . A 58 MET HE3 . 18818 1 594 . 1 1 58 58 MET C C 13 171.6 0.3 . 1 . . . A 58 MET C . 18818 1 595 . 1 1 58 58 MET CA C 13 53.5 0.3 . 1 . . . A 58 MET CA . 18818 1 596 . 1 1 58 58 MET CB C 13 32.7 0.3 . 1 . . . A 58 MET CB . 18818 1 597 . 1 1 58 58 MET CG C 13 28.9 0.3 . 1 . . . A 58 MET CG . 18818 1 598 . 1 1 58 58 MET CE C 13 17.1 0.3 . 1 . . . A 58 MET CE . 18818 1 599 . 1 1 58 58 MET N N 15 118.0 0.3 . 1 . . . A 58 MET N . 18818 1 600 . 1 1 59 59 PRO HA H 1 4.45 0.02 . 1 . . . A 59 PRO HA . 18818 1 601 . 1 1 59 59 PRO HB2 H 1 2.37 0.02 . 2 . . . A 59 PRO HB2 . 18818 1 602 . 1 1 59 59 PRO HB3 H 1 2.04 0.02 . 2 . . . A 59 PRO HB3 . 18818 1 603 . 1 1 59 59 PRO HD2 H 1 3.52 0.02 . 2 . . . A 59 PRO HD2 . 18818 1 604 . 1 1 59 59 PRO HD3 H 1 3.44 0.02 . 2 . . . A 59 PRO HD3 . 18818 1 605 . 1 1 59 59 PRO C C 13 177.4 0.3 . 1 . . . A 59 PRO C . 18818 1 606 . 1 1 59 59 PRO CA C 13 63.1 0.3 . 1 . . . A 59 PRO CA . 18818 1 607 . 1 1 59 59 PRO CB C 13 31.9 0.3 . 1 . . . A 59 PRO CB . 18818 1 608 . 1 1 59 59 PRO CG C 13 27.3 0.3 . 1 . . . A 59 PRO CG . 18818 1 609 . 1 1 59 59 PRO CD C 13 49.9 0.3 . 1 . . . A 59 PRO CD . 18818 1 610 . 1 1 60 60 SER H H 1 8.36 0.02 . 1 . . . A 60 SER H . 18818 1 611 . 1 1 60 60 SER HA H 1 4.34 0.02 . 1 . . . A 60 SER HA . 18818 1 612 . 1 1 60 60 SER HB2 H 1 4.06 0.02 . 2 . . . A 60 SER HB2 . 18818 1 613 . 1 1 60 60 SER HB3 H 1 3.99 0.02 . 2 . . . A 60 SER HB3 . 18818 1 614 . 1 1 60 60 SER C C 13 174.7 0.3 . 1 . . . A 60 SER C . 18818 1 615 . 1 1 60 60 SER CA C 13 59.1 0.3 . 1 . . . A 60 SER CA . 18818 1 616 . 1 1 60 60 SER CB C 13 63.2 0.3 . 1 . . . A 60 SER CB . 18818 1 617 . 1 1 60 60 SER N N 15 114.9 0.3 . 1 . . . A 60 SER N . 18818 1 618 . 1 1 61 61 ASN H H 1 7.99 0.02 . 1 . . . A 61 ASN H . 18818 1 619 . 1 1 61 61 ASN HA H 1 4.81 0.02 . 1 . . . A 61 ASN HA . 18818 1 620 . 1 1 61 61 ASN C C 13 175.5 0.3 . 1 . . . A 61 ASN C . 18818 1 621 . 1 1 61 61 ASN CA C 13 53.0 0.3 . 1 . . . A 61 ASN CA . 18818 1 622 . 1 1 61 61 ASN CB C 13 37.9 0.3 . 1 . . . A 61 ASN CB . 18818 1 623 . 1 1 61 61 ASN CG C 13 177.3 0.3 . 1 . . . A 61 ASN CG . 18818 1 624 . 1 1 61 61 ASN N N 15 120.8 0.3 . 1 . . . A 61 ASN N . 18818 1 625 . 1 1 62 62 CYS H H 1 8.26 0.02 . 1 . . . A 62 CYS H . 18818 1 626 . 1 1 62 62 CYS HA H 1 4.59 0.02 . 1 . . . A 62 CYS HA . 18818 1 627 . 1 1 62 62 CYS HB2 H 1 3.09 0.02 . 2 . . . A 62 CYS HB2 . 18818 1 628 . 1 1 62 62 CYS HB3 H 1 3.03 0.02 . 2 . . . A 62 CYS HB3 . 18818 1 629 . 1 1 62 62 CYS C C 13 175.3 0.3 . 1 . . . A 62 CYS C . 18818 1 630 . 1 1 62 62 CYS CA C 13 59.2 0.3 . 1 . . . A 62 CYS CA . 18818 1 631 . 1 1 62 62 CYS CB C 13 27.4 0.3 . 1 . . . A 62 CYS CB . 18818 1 632 . 1 1 62 62 CYS N N 15 117.8 0.3 . 1 . . . A 62 CYS N . 18818 1 633 . 1 1 63 63 GLY H H 1 8.52 0.02 . 1 . . . A 63 GLY H . 18818 1 634 . 1 1 63 63 GLY C C 13 175.6 0.3 . 1 . . . A 63 GLY C . 18818 1 635 . 1 1 63 63 GLY CA C 13 46.3 0.3 . 1 . . . A 63 GLY CA . 18818 1 636 . 1 1 63 63 GLY N N 15 111.3 0.3 . 1 . . . A 63 GLY N . 18818 1 637 . 1 1 64 64 LEU H H 1 7.91 0.02 . 1 . . . A 64 LEU H . 18818 1 638 . 1 1 64 64 LEU HA H 1 4.05 0.02 . 1 . . . A 64 LEU HA . 18818 1 639 . 1 1 64 64 LEU HB2 H 1 1.77 0.02 . 2 . . . A 64 LEU HB2 . 18818 1 640 . 1 1 64 64 LEU HB3 H 1 1.63 0.02 . 2 . . . A 64 LEU HB3 . 18818 1 641 . 1 1 64 64 LEU HG H 1 1.62 0.02 . 1 . . . A 64 LEU HG . 18818 1 642 . 1 1 64 64 LEU HD11 H 1 0.95 0.02 . 1 . . . A 64 LEU HD11 . 18818 1 643 . 1 1 64 64 LEU HD12 H 1 0.95 0.02 . 1 . . . A 64 LEU HD12 . 18818 1 644 . 1 1 64 64 LEU HD13 H 1 0.95 0.02 . 1 . . . A 64 LEU HD13 . 18818 1 645 . 1 1 64 64 LEU HD21 H 1 0.83 0.02 . 1 . . . A 64 LEU HD21 . 18818 1 646 . 1 1 64 64 LEU HD22 H 1 0.83 0.02 . 1 . . . A 64 LEU HD22 . 18818 1 647 . 1 1 64 64 LEU HD23 H 1 0.83 0.02 . 1 . . . A 64 LEU HD23 . 18818 1 648 . 1 1 64 64 LEU C C 13 177.9 0.3 . 1 . . . A 64 LEU C . 18818 1 649 . 1 1 64 64 LEU CA C 13 57.6 0.3 . 1 . . . A 64 LEU CA . 18818 1 650 . 1 1 64 64 LEU CB C 13 42.0 0.3 . 1 . . . A 64 LEU CB . 18818 1 651 . 1 1 64 64 LEU CG C 13 26.7 0.3 . 1 . . . A 64 LEU CG . 18818 1 652 . 1 1 64 64 LEU CD1 C 13 24.4 0.3 . 1 . . . A 64 LEU CD1 . 18818 1 653 . 1 1 64 64 LEU CD2 C 13 23.7 0.3 . 1 . . . A 64 LEU CD2 . 18818 1 654 . 1 1 64 64 LEU N N 15 122.4 0.3 . 1 . . . A 64 LEU N . 18818 1 655 . 1 1 65 65 GLU H H 1 8.66 0.02 . 1 . . . A 65 GLU H . 18818 1 656 . 1 1 65 65 GLU HA H 1 3.91 0.02 . 1 . . . A 65 GLU HA . 18818 1 657 . 1 1 65 65 GLU HB2 H 1 2.08 0.02 . 2 . . . A 65 GLU HB2 . 18818 1 658 . 1 1 65 65 GLU HB3 H 1 1.97 0.02 . 2 . . . A 65 GLU HB3 . 18818 1 659 . 1 1 65 65 GLU C C 13 179.1 0.3 . 1 . . . A 65 GLU C . 18818 1 660 . 1 1 65 65 GLU CA C 13 60.0 0.3 . 1 . . . A 65 GLU CA . 18818 1 661 . 1 1 65 65 GLU CB C 13 28.4 0.3 . 1 . . . A 65 GLU CB . 18818 1 662 . 1 1 65 65 GLU CG C 13 36.2 0.3 . 1 . . . A 65 GLU CG . 18818 1 663 . 1 1 65 65 GLU CD C 13 183.3 0.3 . 1 . . . A 65 GLU CD . 18818 1 664 . 1 1 65 65 GLU N N 15 117.9 0.3 . 1 . . . A 65 GLU N . 18818 1 665 . 1 1 66 66 GLU H H 1 8.22 0.02 . 1 . . . A 66 GLU H . 18818 1 666 . 1 1 66 66 GLU HA H 1 4.12 0.02 . 1 . . . A 66 GLU HA . 18818 1 667 . 1 1 66 66 GLU HB2 H 1 2.14 0.02 . 2 . . . A 66 GLU HB2 . 18818 1 668 . 1 1 66 66 GLU HB3 H 1 2.08 0.02 . 2 . . . A 66 GLU HB3 . 18818 1 669 . 1 1 66 66 GLU C C 13 178.2 0.3 . 1 . . . A 66 GLU C . 18818 1 670 . 1 1 66 66 GLU CA C 13 59.1 0.3 . 1 . . . A 66 GLU CA . 18818 1 671 . 1 1 66 66 GLU CB C 13 29.1 0.3 . 1 . . . A 66 GLU CB . 18818 1 672 . 1 1 66 66 GLU CG C 13 36.3 0.3 . 1 . . . A 66 GLU CG . 18818 1 673 . 1 1 66 66 GLU CD C 13 182.1 0.3 . 1 . . . A 66 GLU CD . 18818 1 674 . 1 1 66 66 GLU N N 15 120.0 0.3 . 1 . . . A 66 GLU N . 18818 1 675 . 1 1 67 67 LYS H H 1 7.78 0.02 . 1 . . . A 67 LYS H . 18818 1 676 . 1 1 67 67 LYS HA H 1 4.14 0.02 . 1 . . . A 67 LYS HA . 18818 1 677 . 1 1 67 67 LYS HB2 H 1 2.00 0.02 . 2 . . . A 67 LYS HB2 . 18818 1 678 . 1 1 67 67 LYS HB3 H 1 1.87 0.02 . 2 . . . A 67 LYS HB3 . 18818 1 679 . 1 1 67 67 LYS HG2 H 1 1.50 0.02 . 2 . . . A 67 LYS HG2 . 18818 1 680 . 1 1 67 67 LYS HG3 H 1 1.61 0.02 . 2 . . . A 67 LYS HG3 . 18818 1 681 . 1 1 67 67 LYS HD2 H 1 1.69 0.02 . 2 . . . A 67 LYS HD2 . 18818 1 682 . 1 1 67 67 LYS HD3 H 1 1.62 0.02 . 2 . . . A 67 LYS HD3 . 18818 1 683 . 1 1 67 67 LYS C C 13 179.4 0.3 . 1 . . . A 67 LYS C . 18818 1 684 . 1 1 67 67 LYS CA C 13 58.9 0.3 . 1 . . . A 67 LYS CA . 18818 1 685 . 1 1 67 67 LYS CB C 13 32.1 0.3 . 1 . . . A 67 LYS CB . 18818 1 686 . 1 1 67 67 LYS CG C 13 25.0 0.3 . 1 . . . A 67 LYS CG . 18818 1 687 . 1 1 67 67 LYS CD C 13 28.9 0.3 . 1 . . . A 67 LYS CD . 18818 1 688 . 1 1 67 67 LYS CE C 13 41.9 0.3 . 1 . . . A 67 LYS CE . 18818 1 689 . 1 1 67 67 LYS N N 15 119.3 0.3 . 1 . . . A 67 LYS N . 18818 1 690 . 1 1 68 68 ILE H H 1 8.23 0.02 . 1 . . . A 68 ILE H . 18818 1 691 . 1 1 68 68 ILE HA H 1 3.72 0.02 . 1 . . . A 68 ILE HA . 18818 1 692 . 1 1 68 68 ILE HB H 1 1.97 0.02 . 1 . . . A 68 ILE HB . 18818 1 693 . 1 1 68 68 ILE HG12 H 1 1.80 0.02 . 2 . . . A 68 ILE HG12 . 18818 1 694 . 1 1 68 68 ILE HG13 H 1 1.63 0.02 . 2 . . . A 68 ILE HG13 . 18818 1 695 . 1 1 68 68 ILE HG21 H 1 0.97 0.02 . 1 . . . A 68 ILE HG21 . 18818 1 696 . 1 1 68 68 ILE HG22 H 1 0.97 0.02 . 1 . . . A 68 ILE HG22 . 18818 1 697 . 1 1 68 68 ILE HG23 H 1 0.97 0.02 . 1 . . . A 68 ILE HG23 . 18818 1 698 . 1 1 68 68 ILE HD11 H 1 0.82 0.02 . 1 . . . A 68 ILE HD11 . 18818 1 699 . 1 1 68 68 ILE HD12 H 1 0.82 0.02 . 1 . . . A 68 ILE HD12 . 18818 1 700 . 1 1 68 68 ILE HD13 H 1 0.82 0.02 . 1 . . . A 68 ILE HD13 . 18818 1 701 . 1 1 68 68 ILE C C 13 177.8 0.3 . 1 . . . A 68 ILE C . 18818 1 702 . 1 1 68 68 ILE CA C 13 64.5 0.3 . 1 . . . A 68 ILE CA . 18818 1 703 . 1 1 68 68 ILE CB C 13 37.3 0.3 . 1 . . . A 68 ILE CB . 18818 1 704 . 1 1 68 68 ILE CG1 C 13 29.1 0.3 . 1 . . . A 68 ILE CG1 . 18818 1 705 . 1 1 68 68 ILE CG2 C 13 17.5 0.3 . 1 . . . A 68 ILE CG2 . 18818 1 706 . 1 1 68 68 ILE CD1 C 13 12.9 0.3 . 1 . . . A 68 ILE CD1 . 18818 1 707 . 1 1 68 68 ILE N N 15 118.4 0.3 . 1 . . . A 68 ILE N . 18818 1 708 . 1 1 69 69 ALA H H 1 8.07 0.02 . 1 . . . A 69 ALA H . 18818 1 709 . 1 1 69 69 ALA HA H 1 4.22 0.02 . 1 . . . A 69 ALA HA . 18818 1 710 . 1 1 69 69 ALA HB1 H 1 1.55 0.02 . 1 . . . A 69 ALA HB1 . 18818 1 711 . 1 1 69 69 ALA HB2 H 1 1.55 0.02 . 1 . . . A 69 ALA HB2 . 18818 1 712 . 1 1 69 69 ALA HB3 H 1 1.55 0.02 . 1 . . . A 69 ALA HB3 . 18818 1 713 . 1 1 69 69 ALA C C 13 179.6 0.3 . 1 . . . A 69 ALA C . 18818 1 714 . 1 1 69 69 ALA CA C 13 54.4 0.3 . 1 . . . A 69 ALA CA . 18818 1 715 . 1 1 69 69 ALA CB C 13 17.9 0.3 . 1 . . . A 69 ALA CB . 18818 1 716 . 1 1 69 69 ALA N N 15 122.9 0.3 . 1 . . . A 69 ALA N . 18818 1 717 . 1 1 70 70 ASN H H 1 7.88 0.02 . 1 . . . A 70 ASN H . 18818 1 718 . 1 1 70 70 ASN HA H 1 4.87 0.02 . 1 . . . A 70 ASN HA . 18818 1 719 . 1 1 70 70 ASN HB2 H 1 2.96 0.02 . 2 . . . A 70 ASN HB2 . 18818 1 720 . 1 1 70 70 ASN HB3 H 1 2.90 0.02 . 2 . . . A 70 ASN HB3 . 18818 1 721 . 1 1 70 70 ASN HD21 H 1 7.62 0.02 . 1 . . . A 70 ASN HD21 . 18818 1 722 . 1 1 70 70 ASN HD22 H 1 6.97 0.02 . 1 . . . A 70 ASN HD22 . 18818 1 723 . 1 1 70 70 ASN C C 13 176.5 0.3 . 1 . . . A 70 ASN C . 18818 1 724 . 1 1 70 70 ASN CA C 13 54.3 0.3 . 1 . . . A 70 ASN CA . 18818 1 725 . 1 1 70 70 ASN CB C 13 38.7 0.3 . 1 . . . A 70 ASN CB . 18818 1 726 . 1 1 70 70 ASN N N 15 115.4 0.3 . 1 . . . A 70 ASN N . 18818 1 727 . 1 1 70 70 ASN ND2 N 15 112.6 0.3 . 1 . . . A 70 ASN ND2 . 18818 1 728 . 1 1 71 71 LEU H H 1 7.82 0.02 . 1 . . . A 71 LEU H . 18818 1 729 . 1 1 71 71 LEU HA H 1 4.33 0.02 . 1 . . . A 71 LEU HA . 18818 1 730 . 1 1 71 71 LEU HB2 H 1 1.98 0.02 . 2 . . . A 71 LEU HB2 . 18818 1 731 . 1 1 71 71 LEU HB3 H 1 1.62 0.02 . 2 . . . A 71 LEU HB3 . 18818 1 732 . 1 1 71 71 LEU HG H 1 2.04 0.02 . 1 . . . A 71 LEU HG . 18818 1 733 . 1 1 71 71 LEU HD11 H 1 0.94 0.02 . 1 . . . A 71 LEU HD11 . 18818 1 734 . 1 1 71 71 LEU HD12 H 1 0.94 0.02 . 1 . . . A 71 LEU HD12 . 18818 1 735 . 1 1 71 71 LEU HD13 H 1 0.94 0.02 . 1 . . . A 71 LEU HD13 . 18818 1 736 . 1 1 71 71 LEU HD21 H 1 0.96 0.02 . 1 . . . A 71 LEU HD21 . 18818 1 737 . 1 1 71 71 LEU HD22 H 1 0.96 0.02 . 1 . . . A 71 LEU HD22 . 18818 1 738 . 1 1 71 71 LEU HD23 H 1 0.96 0.02 . 1 . . . A 71 LEU HD23 . 18818 1 739 . 1 1 71 71 LEU C C 13 178.3 0.3 . 1 . . . A 71 LEU C . 18818 1 740 . 1 1 71 71 LEU CA C 13 56.3 0.3 . 1 . . . A 71 LEU CA . 18818 1 741 . 1 1 71 71 LEU CB C 13 42.3 0.3 . 1 . . . A 71 LEU CB . 18818 1 742 . 1 1 71 71 LEU CG C 13 26.0 0.3 . 1 . . . A 71 LEU CG . 18818 1 743 . 1 1 71 71 LEU CD1 C 13 25.0 0.3 . 1 . . . A 71 LEU CD1 . 18818 1 744 . 1 1 71 71 LEU CD2 C 13 22.9 0.3 . 1 . . . A 71 LEU CD2 . 18818 1 745 . 1 1 71 71 LEU N N 15 120.6 0.3 . 1 . . . A 71 LEU N . 18818 1 746 . 1 1 72 72 GLY H H 1 8.24 0.02 . 1 . . . A 72 GLY H . 18818 1 747 . 1 1 72 72 GLY C C 13 174.4 0.3 . 1 . . . A 72 GLY C . 18818 1 748 . 1 1 72 72 GLY CA C 13 45.7 0.3 . 1 . . . A 72 GLY CA . 18818 1 749 . 1 1 72 72 GLY N N 15 106.8 0.3 . 1 . . . A 72 GLY N . 18818 1 750 . 1 1 73 73 SER H H 1 8.22 0.02 . 1 . . . A 73 SER H . 18818 1 751 . 1 1 73 73 SER HA H 1 4.57 0.02 . 1 . . . A 73 SER HA . 18818 1 752 . 1 1 73 73 SER HB2 H 1 4.06 0.02 . 2 . . . A 73 SER HB2 . 18818 1 753 . 1 1 73 73 SER HB3 H 1 4.02 0.02 . 2 . . . A 73 SER HB3 . 18818 1 754 . 1 1 73 73 SER C C 13 175.0 0.3 . 1 . . . A 73 SER C . 18818 1 755 . 1 1 73 73 SER CA C 13 58.9 0.3 . 1 . . . A 73 SER CA . 18818 1 756 . 1 1 73 73 SER CB C 13 63.6 0.3 . 1 . . . A 73 SER CB . 18818 1 757 . 1 1 73 73 SER N N 15 115.6 0.3 . 1 . . . A 73 SER N . 18818 1 758 . 1 1 74 74 CYS H H 1 8.26 0.02 . 1 . . . A 74 CYS H . 18818 1 759 . 1 1 74 74 CYS HA H 1 4.65 0.02 . 1 . . . A 74 CYS HA . 18818 1 760 . 1 1 74 74 CYS C C 13 174.5 0.3 . 1 . . . A 74 CYS C . 18818 1 761 . 1 1 74 74 CYS CA C 13 58.7 0.3 . 1 . . . A 74 CYS CA . 18818 1 762 . 1 1 74 74 CYS CB C 13 27.7 0.3 . 1 . . . A 74 CYS CB . 18818 1 763 . 1 1 74 74 CYS N N 15 119.3 0.3 . 1 . . . A 74 CYS N . 18818 1 764 . 1 1 75 75 ASN H H 1 8.43 0.02 . 1 . . . A 75 ASN H . 18818 1 765 . 1 1 75 75 ASN HA H 1 4.84 0.02 . 1 . . . A 75 ASN HA . 18818 1 766 . 1 1 75 75 ASN HB2 H 1 3.04 0.02 . 2 . . . A 75 ASN HB2 . 18818 1 767 . 1 1 75 75 ASN HB3 H 1 2.83 0.02 . 2 . . . A 75 ASN HB3 . 18818 1 768 . 1 1 75 75 ASN HD21 H 1 7.75 0.02 . 1 . . . A 75 ASN HD21 . 18818 1 769 . 1 1 75 75 ASN HD22 H 1 7.09 0.02 . 1 . . . A 75 ASN HD22 . 18818 1 770 . 1 1 75 75 ASN C C 13 174.7 0.3 . 1 . . . A 75 ASN C . 18818 1 771 . 1 1 75 75 ASN CA C 13 53.8 0.3 . 1 . . . A 75 ASN CA . 18818 1 772 . 1 1 75 75 ASN CB C 13 38.9 0.3 . 1 . . . A 75 ASN CB . 18818 1 773 . 1 1 75 75 ASN N N 15 120.0 0.3 . 1 . . . A 75 ASN N . 18818 1 774 . 1 1 75 75 ASN ND2 N 15 112.2 0.3 . 1 . . . A 75 ASN ND2 . 18818 1 775 . 1 1 76 76 ASP H H 1 8.30 0.02 . 1 . . . A 76 ASP H . 18818 1 776 . 1 1 76 76 ASP HA H 1 4.67 0.02 . 1 . . . A 76 ASP HA . 18818 1 777 . 1 1 76 76 ASP HB2 H 1 2.88 0.02 . 2 . . . A 76 ASP HB2 . 18818 1 778 . 1 1 76 76 ASP HB3 H 1 2.73 0.02 . 2 . . . A 76 ASP HB3 . 18818 1 779 . 1 1 76 76 ASP C C 13 175.5 0.3 . 1 . . . A 76 ASP C . 18818 1 780 . 1 1 76 76 ASP CA C 13 54.4 0.3 . 1 . . . A 76 ASP CA . 18818 1 781 . 1 1 76 76 ASP CB C 13 40.6 0.3 . 1 . . . A 76 ASP CB . 18818 1 782 . 1 1 76 76 ASP CG C 13 180.6 0.3 . 1 . . . A 76 ASP CG . 18818 1 783 . 1 1 76 76 ASP N N 15 119.2 0.3 . 1 . . . A 76 ASP N . 18818 1 784 . 1 1 77 77 SER H H 1 8.22 0.02 . 1 . . . A 77 SER H . 18818 1 785 . 1 1 77 77 SER HA H 1 4.26 0.02 . 1 . . . A 77 SER HA . 18818 1 786 . 1 1 77 77 SER HB2 H 1 4.04 0.02 . 2 . . . A 77 SER HB2 . 18818 1 787 . 1 1 77 77 SER HB3 H 1 4.00 0.02 . 2 . . . A 77 SER HB3 . 18818 1 788 . 1 1 77 77 SER C C 13 173.3 0.3 . 1 . . . A 77 SER C . 18818 1 789 . 1 1 77 77 SER CA C 13 59.0 0.3 . 1 . . . A 77 SER CA . 18818 1 790 . 1 1 77 77 SER CB C 13 63.1 0.3 . 1 . . . A 77 SER CB . 18818 1 791 . 1 1 77 77 SER N N 15 112.8 0.3 . 1 . . . A 77 SER N . 18818 1 792 . 1 1 78 78 LYS H H 1 7.93 0.02 . 1 . . . A 78 LYS H . 18818 1 793 . 1 1 78 78 LYS HA H 1 4.56 0.02 . 1 . . . A 78 LYS HA . 18818 1 794 . 1 1 78 78 LYS HG2 H 1 1.52 0.02 . 2 . . . A 78 LYS HG2 . 18818 1 795 . 1 1 78 78 LYS HG3 H 1 1.43 0.02 . 2 . . . A 78 LYS HG3 . 18818 1 796 . 1 1 78 78 LYS C C 13 175.3 0.3 . 1 . . . A 78 LYS C . 18818 1 797 . 1 1 78 78 LYS CA C 13 55.6 0.3 . 1 . . . A 78 LYS CA . 18818 1 798 . 1 1 78 78 LYS CB C 13 33.3 0.3 . 1 . . . A 78 LYS CB . 18818 1 799 . 1 1 78 78 LYS CG C 13 24.3 0.3 . 1 . . . A 78 LYS CG . 18818 1 800 . 1 1 78 78 LYS CD C 13 28.9 0.3 . 1 . . . A 78 LYS CD . 18818 1 801 . 1 1 78 78 LYS CE C 13 42.0 0.3 . 1 . . . A 78 LYS CE . 18818 1 802 . 1 1 78 78 LYS N N 15 120.6 0.3 . 1 . . . A 78 LYS N . 18818 1 803 . 1 1 79 79 LEU H H 1 9.02 0.02 . 1 . . . A 79 LEU H . 18818 1 804 . 1 1 79 79 LEU HA H 1 4.78 0.02 . 1 . . . A 79 LEU HA . 18818 1 805 . 1 1 79 79 LEU HB2 H 1 2.05 0.02 . 2 . . . A 79 LEU HB2 . 18818 1 806 . 1 1 79 79 LEU HB3 H 1 1.77 0.02 . 2 . . . A 79 LEU HB3 . 18818 1 807 . 1 1 79 79 LEU HG H 1 1.55 0.02 . 1 . . . A 79 LEU HG . 18818 1 808 . 1 1 79 79 LEU HD11 H 1 0.95 0.02 . 1 . . . A 79 LEU HD11 . 18818 1 809 . 1 1 79 79 LEU HD12 H 1 0.95 0.02 . 1 . . . A 79 LEU HD12 . 18818 1 810 . 1 1 79 79 LEU HD13 H 1 0.95 0.02 . 1 . . . A 79 LEU HD13 . 18818 1 811 . 1 1 79 79 LEU HD21 H 1 0.92 0.02 . 1 . . . A 79 LEU HD21 . 18818 1 812 . 1 1 79 79 LEU HD22 H 1 0.92 0.02 . 1 . . . A 79 LEU HD22 . 18818 1 813 . 1 1 79 79 LEU HD23 H 1 0.92 0.02 . 1 . . . A 79 LEU HD23 . 18818 1 814 . 1 1 79 79 LEU C C 13 176.1 0.3 . 1 . . . A 79 LEU C . 18818 1 815 . 1 1 79 79 LEU CA C 13 54.2 0.3 . 1 . . . A 79 LEU CA . 18818 1 816 . 1 1 79 79 LEU CB C 13 42.0 0.3 . 1 . . . A 79 LEU CB . 18818 1 817 . 1 1 79 79 LEU CG C 13 27.1 0.3 . 1 . . . A 79 LEU CG . 18818 1 818 . 1 1 79 79 LEU CD1 C 13 25.4 0.3 . 1 . . . A 79 LEU CD1 . 18818 1 819 . 1 1 79 79 LEU CD2 C 13 24.2 0.3 . 1 . . . A 79 LEU CD2 . 18818 1 820 . 1 1 79 79 LEU N N 15 123.7 0.3 . 1 . . . A 79 LEU N . 18818 1 821 . 1 1 80 80 GLU H H 1 8.63 0.02 . 1 . . . A 80 GLU H . 18818 1 822 . 1 1 80 80 GLU HA H 1 4.90 0.02 . 1 . . . A 80 GLU HA . 18818 1 823 . 1 1 80 80 GLU HB2 H 1 2.58 0.02 . 2 . . . A 80 GLU HB2 . 18818 1 824 . 1 1 80 80 GLU HB3 H 1 2.25 0.02 . 2 . . . A 80 GLU HB3 . 18818 1 825 . 1 1 80 80 GLU C C 13 177.1 0.3 . 1 . . . A 80 GLU C . 18818 1 826 . 1 1 80 80 GLU CA C 13 55.2 0.3 . 1 . . . A 80 GLU CA . 18818 1 827 . 1 1 80 80 GLU CB C 13 31.6 0.3 . 1 . . . A 80 GLU CB . 18818 1 828 . 1 1 80 80 GLU CG C 13 36.6 0.3 . 1 . . . A 80 GLU CG . 18818 1 829 . 1 1 80 80 GLU N N 15 121.2 0.3 . 1 . . . A 80 GLU N . 18818 1 830 . 1 1 81 81 PHE H H 1 9.36 0.02 . 1 . . . A 81 PHE H . 18818 1 831 . 1 1 81 81 PHE HA H 1 3.53 0.02 . 1 . . . A 81 PHE HA . 18818 1 832 . 1 1 81 81 PHE HB2 H 1 2.92 0.02 . 2 . . . A 81 PHE HB2 . 18818 1 833 . 1 1 81 81 PHE HB3 H 1 2.89 0.02 . 2 . . . A 81 PHE HB3 . 18818 1 834 . 1 1 81 81 PHE HZ H 1 6.70 0.02 . 1 . . . A 81 PHE HZ . 18818 1 835 . 1 1 81 81 PHE C C 13 177.0 0.3 . 1 . . . A 81 PHE C . 18818 1 836 . 1 1 81 81 PHE CA C 13 62.3 0.3 . 1 . . . A 81 PHE CA . 18818 1 837 . 1 1 81 81 PHE CB C 13 38.5 0.3 . 1 . . . A 81 PHE CB . 18818 1 838 . 1 1 81 81 PHE N N 15 123.5 0.3 . 1 . . . A 81 PHE N . 18818 1 839 . 1 1 82 82 ARG H H 1 8.94 0.02 . 1 . . . A 82 ARG H . 18818 1 840 . 1 1 82 82 ARG HA H 1 4.04 0.02 . 1 . . . A 82 ARG HA . 18818 1 841 . 1 1 82 82 ARG HB2 H 1 2.08 0.02 . 2 . . . A 82 ARG HB2 . 18818 1 842 . 1 1 82 82 ARG HB3 H 1 1.92 0.02 . 2 . . . A 82 ARG HB3 . 18818 1 843 . 1 1 82 82 ARG HD2 H 1 3.21 0.02 . 2 . . . A 82 ARG HD2 . 18818 1 844 . 1 1 82 82 ARG HD3 H 1 3.28 0.02 . 2 . . . A 82 ARG HD3 . 18818 1 845 . 1 1 82 82 ARG C C 13 178.0 0.3 . 1 . . . A 82 ARG C . 18818 1 846 . 1 1 82 82 ARG CA C 13 59.2 0.3 . 1 . . . A 82 ARG CA . 18818 1 847 . 1 1 82 82 ARG CB C 13 29.2 0.3 . 1 . . . A 82 ARG CB . 18818 1 848 . 1 1 82 82 ARG CG C 13 26.5 0.3 . 1 . . . A 82 ARG CG . 18818 1 849 . 1 1 82 82 ARG CD C 13 43.2 0.3 . 1 . . . A 82 ARG CD . 18818 1 850 . 1 1 82 82 ARG N N 15 116.5 0.3 . 1 . . . A 82 ARG N . 18818 1 851 . 1 1 83 83 SER H H 1 7.61 0.02 . 1 . . . A 83 SER H . 18818 1 852 . 1 1 83 83 SER HA H 1 4.51 0.02 . 1 . . . A 83 SER HA . 18818 1 853 . 1 1 83 83 SER HB2 H 1 4.14 0.02 . 2 . . . A 83 SER HB2 . 18818 1 854 . 1 1 83 83 SER HB3 H 1 4.04 0.02 . 2 . . . A 83 SER HB3 . 18818 1 855 . 1 1 83 83 SER C C 13 175.8 0.3 . 1 . . . A 83 SER C . 18818 1 856 . 1 1 83 83 SER CA C 13 61.7 0.3 . 1 . . . A 83 SER CA . 18818 1 857 . 1 1 83 83 SER CB C 13 62.7 0.3 . 1 . . . A 83 SER CB . 18818 1 858 . 1 1 83 83 SER N N 15 115.7 0.3 . 1 . . . A 83 SER N . 18818 1 859 . 1 1 84 84 PHE H H 1 7.49 0.02 . 1 . . . A 84 PHE H . 18818 1 860 . 1 1 84 84 PHE HA H 1 4.22 0.02 . 1 . . . A 84 PHE HA . 18818 1 861 . 1 1 84 84 PHE HZ H 1 7.33 0.02 . 1 . . . A 84 PHE HZ . 18818 1 862 . 1 1 84 84 PHE C C 13 175.0 0.3 . 1 . . . A 84 PHE C . 18818 1 863 . 1 1 84 84 PHE CA C 13 60.0 0.3 . 1 . . . A 84 PHE CA . 18818 1 864 . 1 1 84 84 PHE CB C 13 39.2 0.3 . 1 . . . A 84 PHE CB . 18818 1 865 . 1 1 84 84 PHE N N 15 122.2 0.3 . 1 . . . A 84 PHE N . 18818 1 866 . 1 1 85 85 TRP H H 1 8.77 0.02 . 1 . . . A 85 TRP H . 18818 1 867 . 1 1 85 85 TRP HA H 1 3.76 0.02 . 1 . . . A 85 TRP HA . 18818 1 868 . 1 1 85 85 TRP HB2 H 1 3.12 0.02 . 2 . . . A 85 TRP HB2 . 18818 1 869 . 1 1 85 85 TRP HB3 H 1 2.59 0.02 . 2 . . . A 85 TRP HB3 . 18818 1 870 . 1 1 85 85 TRP HD1 H 1 6.92 0.02 . 1 . . . A 85 TRP HD1 . 18818 1 871 . 1 1 85 85 TRP HE1 H 1 10.04 0.02 . 1 . . . A 85 TRP HE1 . 18818 1 872 . 1 1 85 85 TRP HE3 H 1 7.15 0.02 . 1 . . . A 85 TRP HE3 . 18818 1 873 . 1 1 85 85 TRP HZ2 H 1 5.87 0.02 . 1 . . . A 85 TRP HZ2 . 18818 1 874 . 1 1 85 85 TRP HZ3 H 1 6.83 0.02 . 1 . . . A 85 TRP HZ3 . 18818 1 875 . 1 1 85 85 TRP HH2 H 1 6.41 0.02 . 1 . . . A 85 TRP HH2 . 18818 1 876 . 1 1 85 85 TRP CA C 13 59.8 0.3 . 1 . . . A 85 TRP CA . 18818 1 877 . 1 1 85 85 TRP CB C 13 29.2 0.3 . 1 . . . A 85 TRP CB . 18818 1 878 . 1 1 85 85 TRP N N 15 120.7 0.3 . 1 . . . A 85 TRP N . 18818 1 879 . 1 1 86 86 GLU H H 1 8.15 0.02 . 1 . . . A 86 GLU H . 18818 1 880 . 1 1 86 86 GLU HA H 1 4.08 0.02 . 1 . . . A 86 GLU HA . 18818 1 881 . 1 1 86 86 GLU HB2 H 1 2.33 0.02 . 2 . . . A 86 GLU HB2 . 18818 1 882 . 1 1 86 86 GLU HB3 H 1 2.17 0.02 . 2 . . . A 86 GLU HB3 . 18818 1 883 . 1 1 86 86 GLU C C 13 179.1 0.3 . 1 . . . A 86 GLU C . 18818 1 884 . 1 1 86 86 GLU CA C 13 59.3 0.3 . 1 . . . A 86 GLU CA . 18818 1 885 . 1 1 86 86 GLU CB C 13 29.5 0.3 . 1 . . . A 86 GLU CB . 18818 1 886 . 1 1 86 86 GLU CG C 13 36.2 0.3 . 1 . . . A 86 GLU CG . 18818 1 887 . 1 1 86 86 GLU N N 15 119.1 0.3 . 1 . . . A 86 GLU N . 18818 1 888 . 1 1 87 87 LEU H H 1 7.60 0.02 . 1 . . . A 87 LEU H . 18818 1 889 . 1 1 87 87 LEU HA H 1 4.05 0.02 . 1 . . . A 87 LEU HA . 18818 1 890 . 1 1 87 87 LEU HG H 1 1.72 0.02 . 1 . . . A 87 LEU HG . 18818 1 891 . 1 1 87 87 LEU HD11 H 1 0.82 0.02 . 1 . . . A 87 LEU HD11 . 18818 1 892 . 1 1 87 87 LEU HD12 H 1 0.82 0.02 . 1 . . . A 87 LEU HD12 . 18818 1 893 . 1 1 87 87 LEU HD13 H 1 0.82 0.02 . 1 . . . A 87 LEU HD13 . 18818 1 894 . 1 1 87 87 LEU HD21 H 1 0.85 0.02 . 1 . . . A 87 LEU HD21 . 18818 1 895 . 1 1 87 87 LEU HD22 H 1 0.85 0.02 . 1 . . . A 87 LEU HD22 . 18818 1 896 . 1 1 87 87 LEU HD23 H 1 0.85 0.02 . 1 . . . A 87 LEU HD23 . 18818 1 897 . 1 1 87 87 LEU C C 13 178.9 0.3 . 1 . . . A 87 LEU C . 18818 1 898 . 1 1 87 87 LEU CA C 13 57.9 0.3 . 1 . . . A 87 LEU CA . 18818 1 899 . 1 1 87 87 LEU CB C 13 41.3 0.3 . 1 . . . A 87 LEU CB . 18818 1 900 . 1 1 87 87 LEU CG C 13 26.6 0.3 . 1 . . . A 87 LEU CG . 18818 1 901 . 1 1 87 87 LEU CD1 C 13 26.6 0.3 . 1 . . . A 87 LEU CD1 . 18818 1 902 . 1 1 87 87 LEU CD2 C 13 24.6 0.3 . 1 . . . A 87 LEU CD2 . 18818 1 903 . 1 1 87 87 LEU N N 15 120.8 0.3 . 1 . . . A 87 LEU N . 18818 1 904 . 1 1 88 88 ILE H H 1 7.96 0.02 . 1 . . . A 88 ILE H . 18818 1 905 . 1 1 88 88 ILE HA H 1 3.58 0.02 . 1 . . . A 88 ILE HA . 18818 1 906 . 1 1 88 88 ILE HB H 1 1.66 0.02 . 1 . . . A 88 ILE HB . 18818 1 907 . 1 1 88 88 ILE HG12 H 1 0.92 0.02 . 2 . . . A 88 ILE HG12 . 18818 1 908 . 1 1 88 88 ILE HG13 H 1 0.82 0.02 . 2 . . . A 88 ILE HG13 . 18818 1 909 . 1 1 88 88 ILE HG21 H 1 0.58 0.02 . 1 . . . A 88 ILE HG21 . 18818 1 910 . 1 1 88 88 ILE HG22 H 1 0.58 0.02 . 1 . . . A 88 ILE HG22 . 18818 1 911 . 1 1 88 88 ILE HG23 H 1 0.58 0.02 . 1 . . . A 88 ILE HG23 . 18818 1 912 . 1 1 88 88 ILE HD11 H 1 0.32 0.02 . 1 . . . A 88 ILE HD11 . 18818 1 913 . 1 1 88 88 ILE HD12 H 1 0.32 0.02 . 1 . . . A 88 ILE HD12 . 18818 1 914 . 1 1 88 88 ILE HD13 H 1 0.32 0.02 . 1 . . . A 88 ILE HD13 . 18818 1 915 . 1 1 88 88 ILE C C 13 177.3 0.3 . 1 . . . A 88 ILE C . 18818 1 916 . 1 1 88 88 ILE CA C 13 63.0 0.3 . 1 . . . A 88 ILE CA . 18818 1 917 . 1 1 88 88 ILE CB C 13 35.6 0.3 . 1 . . . A 88 ILE CB . 18818 1 918 . 1 1 88 88 ILE CG1 C 13 26.3 0.3 . 1 . . . A 88 ILE CG1 . 18818 1 919 . 1 1 88 88 ILE CG2 C 13 18.2 0.3 . 1 . . . A 88 ILE CG2 . 18818 1 920 . 1 1 88 88 ILE CD1 C 13 11.5 0.3 . 1 . . . A 88 ILE CD1 . 18818 1 921 . 1 1 88 88 ILE N N 15 115.2 0.3 . 1 . . . A 88 ILE N . 18818 1 922 . 1 1 89 89 GLY H H 1 7.62 0.02 . 1 . . . A 89 GLY H . 18818 1 923 . 1 1 89 89 GLY HA2 H 1 2.85 0.02 . 2 . . . A 89 GLY HA2 . 18818 1 924 . 1 1 89 89 GLY HA3 H 1 2.17 0.02 . 2 . . . A 89 GLY HA3 . 18818 1 925 . 1 1 89 89 GLY C C 13 175.7 0.3 . 1 . . . A 89 GLY C . 18818 1 926 . 1 1 89 89 GLY CA C 13 45.4 0.3 . 1 . . . A 89 GLY CA . 18818 1 927 . 1 1 89 89 GLY N N 15 108.1 0.3 . 1 . . . A 89 GLY N . 18818 1 928 . 1 1 90 90 GLU H H 1 7.41 0.02 . 1 . . . A 90 GLU H . 18818 1 929 . 1 1 90 90 GLU HA H 1 3.96 0.02 . 1 . . . A 90 GLU HA . 18818 1 930 . 1 1 90 90 GLU HB2 H 1 2.14 0.02 . 2 . . . A 90 GLU HB2 . 18818 1 931 . 1 1 90 90 GLU HB3 H 1 2.05 0.02 . 2 . . . A 90 GLU HB3 . 18818 1 932 . 1 1 90 90 GLU C C 13 179.1 0.3 . 1 . . . A 90 GLU C . 18818 1 933 . 1 1 90 90 GLU CA C 13 58.2 0.3 . 1 . . . A 90 GLU CA . 18818 1 934 . 1 1 90 90 GLU CB C 13 28.8 0.3 . 1 . . . A 90 GLU CB . 18818 1 935 . 1 1 90 90 GLU CG C 13 35.8 0.3 . 1 . . . A 90 GLU CG . 18818 1 936 . 1 1 90 90 GLU N N 15 120.0 0.3 . 1 . . . A 90 GLU N . 18818 1 937 . 1 1 91 91 ALA H H 1 7.61 0.02 . 1 . . . A 91 ALA H . 18818 1 938 . 1 1 91 91 ALA HA H 1 4.02 0.02 . 1 . . . A 91 ALA HA . 18818 1 939 . 1 1 91 91 ALA HB1 H 1 1.37 0.02 . 1 . . . A 91 ALA HB1 . 18818 1 940 . 1 1 91 91 ALA HB2 H 1 1.37 0.02 . 1 . . . A 91 ALA HB2 . 18818 1 941 . 1 1 91 91 ALA HB3 H 1 1.37 0.02 . 1 . . . A 91 ALA HB3 . 18818 1 942 . 1 1 91 91 ALA C C 13 178.7 0.3 . 1 . . . A 91 ALA C . 18818 1 943 . 1 1 91 91 ALA CA C 13 54.0 0.3 . 1 . . . A 91 ALA CA . 18818 1 944 . 1 1 91 91 ALA CB C 13 18.0 0.3 . 1 . . . A 91 ALA CB . 18818 1 945 . 1 1 91 91 ALA N N 15 122.4 0.3 . 1 . . . A 91 ALA N . 18818 1 946 . 1 1 92 92 ALA H H 1 7.74 0.02 . 1 . . . A 92 ALA H . 18818 1 947 . 1 1 92 92 ALA HA H 1 3.67 0.02 . 1 . . . A 92 ALA HA . 18818 1 948 . 1 1 92 92 ALA HB1 H 1 0.90 0.02 . 1 . . . A 92 ALA HB1 . 18818 1 949 . 1 1 92 92 ALA HB2 H 1 0.90 0.02 . 1 . . . A 92 ALA HB2 . 18818 1 950 . 1 1 92 92 ALA HB3 H 1 0.90 0.02 . 1 . . . A 92 ALA HB3 . 18818 1 951 . 1 1 92 92 ALA C C 13 177.9 0.3 . 1 . . . A 92 ALA C . 18818 1 952 . 1 1 92 92 ALA CA C 13 53.9 0.3 . 1 . . . A 92 ALA CA . 18818 1 953 . 1 1 92 92 ALA CB C 13 17.9 0.3 . 1 . . . A 92 ALA CB . 18818 1 954 . 1 1 92 92 ALA N N 15 118.0 0.3 . 1 . . . A 92 ALA N . 18818 1 955 . 1 1 93 93 LYS H H 1 7.20 0.02 . 1 . . . A 93 LYS H . 18818 1 956 . 1 1 93 93 LYS HA H 1 3.77 0.02 . 1 . . . A 93 LYS HA . 18818 1 957 . 1 1 93 93 LYS HB2 H 1 1.83 0.02 . 2 . . . A 93 LYS HB2 . 18818 1 958 . 1 1 93 93 LYS HB3 H 1 1.74 0.02 . 2 . . . A 93 LYS HB3 . 18818 1 959 . 1 1 93 93 LYS HG2 H 1 1.40 0.02 . 2 . . . A 93 LYS HG2 . 18818 1 960 . 1 1 93 93 LYS HG3 H 1 1.29 0.02 . 2 . . . A 93 LYS HG3 . 18818 1 961 . 1 1 93 93 LYS C C 13 177.0 0.3 . 1 . . . A 93 LYS C . 18818 1 962 . 1 1 93 93 LYS CA C 13 57.5 0.3 . 1 . . . A 93 LYS CA . 18818 1 963 . 1 1 93 93 LYS CB C 13 31.8 0.3 . 1 . . . A 93 LYS CB . 18818 1 964 . 1 1 93 93 LYS CG C 13 24.6 0.3 . 1 . . . A 93 LYS CG . 18818 1 965 . 1 1 93 93 LYS CD C 13 28.9 0.3 . 1 . . . A 93 LYS CD . 18818 1 966 . 1 1 93 93 LYS CE C 13 41.8 0.3 . 1 . . . A 93 LYS CE . 18818 1 967 . 1 1 93 93 LYS N N 15 114.6 0.3 . 1 . . . A 93 LYS N . 18818 1 968 . 1 1 94 94 SER H H 1 7.53 0.02 . 1 . . . A 94 SER H . 18818 1 969 . 1 1 94 94 SER HA H 1 4.45 0.02 . 1 . . . A 94 SER HA . 18818 1 970 . 1 1 94 94 SER HB2 H 1 4.15 0.02 . 2 . . . A 94 SER HB2 . 18818 1 971 . 1 1 94 94 SER HB3 H 1 4.00 0.02 . 2 . . . A 94 SER HB3 . 18818 1 972 . 1 1 94 94 SER C C 13 174.5 0.3 . 1 . . . A 94 SER C . 18818 1 973 . 1 1 94 94 SER CA C 13 58.8 0.3 . 1 . . . A 94 SER CA . 18818 1 974 . 1 1 94 94 SER CB C 13 63.9 0.3 . 1 . . . A 94 SER CB . 18818 1 975 . 1 1 94 94 SER N N 15 113.0 0.3 . 1 . . . A 94 SER N . 18818 1 976 . 1 1 95 95 VAL H H 1 7.44 0.02 . 1 . . . A 95 VAL H . 18818 1 977 . 1 1 95 95 VAL HA H 1 3.94 0.02 . 1 . . . A 95 VAL HA . 18818 1 978 . 1 1 95 95 VAL HB H 1 2.17 0.02 . 1 . . . A 95 VAL HB . 18818 1 979 . 1 1 95 95 VAL HG11 H 1 0.99 0.02 . 1 . . . A 95 VAL HG11 . 18818 1 980 . 1 1 95 95 VAL HG12 H 1 0.99 0.02 . 1 . . . A 95 VAL HG12 . 18818 1 981 . 1 1 95 95 VAL HG13 H 1 0.99 0.02 . 1 . . . A 95 VAL HG13 . 18818 1 982 . 1 1 95 95 VAL HG21 H 1 0.96 0.02 . 1 . . . A 95 VAL HG21 . 18818 1 983 . 1 1 95 95 VAL HG22 H 1 0.96 0.02 . 1 . . . A 95 VAL HG22 . 18818 1 984 . 1 1 95 95 VAL HG23 H 1 0.96 0.02 . 1 . . . A 95 VAL HG23 . 18818 1 985 . 1 1 95 95 VAL C C 13 175.4 0.3 . 1 . . . A 95 VAL C . 18818 1 986 . 1 1 95 95 VAL CA C 13 63.2 0.3 . 1 . . . A 95 VAL CA . 18818 1 987 . 1 1 95 95 VAL CB C 13 31.5 0.3 . 1 . . . A 95 VAL CB . 18818 1 988 . 1 1 95 95 VAL CG1 C 13 21.0 0.3 . 1 . . . A 95 VAL CG1 . 18818 1 989 . 1 1 95 95 VAL N N 15 122.1 0.3 . 1 . . . A 95 VAL N . 18818 1 990 . 1 1 96 96 LYS H H 1 8.47 0.02 . 1 . . . A 96 LYS H . 18818 1 991 . 1 1 96 96 LYS HA H 1 4.40 0.02 . 1 . . . A 96 LYS HA . 18818 1 992 . 1 1 96 96 LYS HG2 H 1 1.52 0.02 . 2 . . . A 96 LYS HG2 . 18818 1 993 . 1 1 96 96 LYS HG3 H 1 1.44 0.02 . 2 . . . A 96 LYS HG3 . 18818 1 994 . 1 1 96 96 LYS C C 13 176.0 0.3 . 1 . . . A 96 LYS C . 18818 1 995 . 1 1 96 96 LYS CA C 13 55.5 0.3 . 1 . . . A 96 LYS CA . 18818 1 996 . 1 1 96 96 LYS CB C 13 32.5 0.3 . 1 . . . A 96 LYS CB . 18818 1 997 . 1 1 96 96 LYS CG C 13 24.4 0.3 . 1 . . . A 96 LYS CG . 18818 1 998 . 1 1 96 96 LYS CD C 13 28.7 0.3 . 1 . . . A 96 LYS CD . 18818 1 999 . 1 1 96 96 LYS CE C 13 42.0 0.3 . 1 . . . A 96 LYS CE . 18818 1 1000 . 1 1 96 96 LYS N N 15 126.3 0.3 . 1 . . . A 96 LYS N . 18818 1 1001 . 1 1 97 97 LEU H H 1 8.14 0.02 . 1 . . . A 97 LEU H . 18818 1 1002 . 1 1 97 97 LEU HA H 1 4.41 0.02 . 1 . . . A 97 LEU HA . 18818 1 1003 . 1 1 97 97 LEU HB2 H 1 1.60 0.02 . 2 . . . A 97 LEU HB2 . 18818 1 1004 . 1 1 97 97 LEU HB3 H 1 1.51 0.02 . 2 . . . A 97 LEU HB3 . 18818 1 1005 . 1 1 97 97 LEU HG H 1 1.57 0.02 . 1 . . . A 97 LEU HG . 18818 1 1006 . 1 1 97 97 LEU HD11 H 1 0.82 0.02 . 1 . . . A 97 LEU HD11 . 18818 1 1007 . 1 1 97 97 LEU HD12 H 1 0.82 0.02 . 1 . . . A 97 LEU HD12 . 18818 1 1008 . 1 1 97 97 LEU HD13 H 1 0.82 0.02 . 1 . . . A 97 LEU HD13 . 18818 1 1009 . 1 1 97 97 LEU HD21 H 1 0.80 0.02 . 1 . . . A 97 LEU HD21 . 18818 1 1010 . 1 1 97 97 LEU HD22 H 1 0.80 0.02 . 1 . . . A 97 LEU HD22 . 18818 1 1011 . 1 1 97 97 LEU HD23 H 1 0.80 0.02 . 1 . . . A 97 LEU HD23 . 18818 1 1012 . 1 1 97 97 LEU C C 13 176.7 0.3 . 1 . . . A 97 LEU C . 18818 1 1013 . 1 1 97 97 LEU CA C 13 54.4 0.3 . 1 . . . A 97 LEU CA . 18818 1 1014 . 1 1 97 97 LEU CB C 13 42.3 0.3 . 1 . . . A 97 LEU CB . 18818 1 1015 . 1 1 97 97 LEU CG C 13 26.5 0.3 . 1 . . . A 97 LEU CG . 18818 1 1016 . 1 1 97 97 LEU CD1 C 13 25.3 0.3 . 1 . . . A 97 LEU CD1 . 18818 1 1017 . 1 1 97 97 LEU CD2 C 13 23.3 0.3 . 1 . . . A 97 LEU CD2 . 18818 1 1018 . 1 1 97 97 LEU N N 15 123.4 0.3 . 1 . . . A 97 LEU N . 18818 1 1019 . 1 1 98 98 GLU H H 1 8.32 0.02 . 1 . . . A 98 GLU H . 18818 1 1020 . 1 1 98 98 GLU HA H 1 4.34 0.02 . 1 . . . A 98 GLU HA . 18818 1 1021 . 1 1 98 98 GLU C C 13 175.9 0.3 . 1 . . . A 98 GLU C . 18818 1 1022 . 1 1 98 98 GLU CA C 13 56.2 0.3 . 1 . . . A 98 GLU CA . 18818 1 1023 . 1 1 98 98 GLU CB C 13 30.1 0.3 . 1 . . . A 98 GLU CB . 18818 1 1024 . 1 1 98 98 GLU CG C 13 36.0 0.3 . 1 . . . A 98 GLU CG . 18818 1 1025 . 1 1 98 98 GLU N N 15 121.4 0.3 . 1 . . . A 98 GLU N . 18818 1 1026 . 1 1 99 99 ARG H H 1 8.28 0.02 . 1 . . . A 99 ARG H . 18818 1 1027 . 1 1 99 99 ARG HA H 1 4.81 0.02 . 1 . . . A 99 ARG HA . 18818 1 1028 . 1 1 99 99 ARG HB2 H 1 1.86 0.02 . 2 . . . A 99 ARG HB2 . 18818 1 1029 . 1 1 99 99 ARG HB3 H 1 1.75 0.02 . 2 . . . A 99 ARG HB3 . 18818 1 1030 . 1 1 99 99 ARG HD2 H 1 3.26 0.02 . 2 . . . A 99 ARG HD2 . 18818 1 1031 . 1 1 99 99 ARG HD3 H 1 3.21 0.02 . 2 . . . A 99 ARG HD3 . 18818 1 1032 . 1 1 99 99 ARG C C 13 173.9 0.3 . 1 . . . A 99 ARG C . 18818 1 1033 . 1 1 99 99 ARG CA C 13 53.6 0.3 . 1 . . . A 99 ARG CA . 18818 1 1034 . 1 1 99 99 ARG CB C 13 29.9 0.3 . 1 . . . A 99 ARG CB . 18818 1 1035 . 1 1 99 99 ARG CG C 13 26.8 0.3 . 1 . . . A 99 ARG CG . 18818 1 1036 . 1 1 99 99 ARG CD C 13 43.1 0.3 . 1 . . . A 99 ARG CD . 18818 1 1037 . 1 1 99 99 ARG N N 15 122.8 0.3 . 1 . . . A 99 ARG N . 18818 1 1038 . 1 1 100 100 PRO HA H 1 4.52 0.02 . 1 . . . A 100 PRO HA . 18818 1 1039 . 1 1 100 100 PRO HB2 H 1 2.33 0.02 . 2 . . . A 100 PRO HB2 . 18818 1 1040 . 1 1 100 100 PRO HB3 H 1 1.91 0.02 . 2 . . . A 100 PRO HB3 . 18818 1 1041 . 1 1 100 100 PRO HD2 H 1 3.80 0.02 . 2 . . . A 100 PRO HD2 . 18818 1 1042 . 1 1 100 100 PRO HD3 H 1 3.65 0.02 . 2 . . . A 100 PRO HD3 . 18818 1 1043 . 1 1 100 100 PRO C C 13 176.7 0.3 . 1 . . . A 100 PRO C . 18818 1 1044 . 1 1 100 100 PRO CA C 13 62.8 0.3 . 1 . . . A 100 PRO CA . 18818 1 1045 . 1 1 100 100 PRO CB C 13 31.7 0.3 . 1 . . . A 100 PRO CB . 18818 1 1046 . 1 1 100 100 PRO CG C 13 27.1 0.3 . 1 . . . A 100 PRO CG . 18818 1 1047 . 1 1 100 100 PRO CD C 13 50.4 0.3 . 1 . . . A 100 PRO CD . 18818 1 1048 . 1 1 101 101 VAL H H 1 8.23 0.02 . 1 . . . A 101 VAL H . 18818 1 1049 . 1 1 101 101 VAL HA H 1 4.13 0.02 . 1 . . . A 101 VAL HA . 18818 1 1050 . 1 1 101 101 VAL HB H 1 2.06 0.02 . 1 . . . A 101 VAL HB . 18818 1 1051 . 1 1 101 101 VAL C C 13 176.0 0.3 . 1 . . . A 101 VAL C . 18818 1 1052 . 1 1 101 101 VAL CA C 13 62.1 0.3 . 1 . . . A 101 VAL CA . 18818 1 1053 . 1 1 101 101 VAL CB C 13 32.2 0.3 . 1 . . . A 101 VAL CB . 18818 1 1054 . 1 1 101 101 VAL CG1 C 13 20.8 0.3 . 1 . . . A 101 VAL CG1 . 18818 1 1055 . 1 1 101 101 VAL N N 15 120.5 0.3 . 1 . . . A 101 VAL N . 18818 1 1056 . 1 1 102 102 ARG H H 1 8.39 0.02 . 1 . . . A 102 ARG H . 18818 1 1057 . 1 1 102 102 ARG HA H 1 4.42 0.02 . 1 . . . A 102 ARG HA . 18818 1 1058 . 1 1 102 102 ARG C C 13 176.4 0.3 . 1 . . . A 102 ARG C . 18818 1 1059 . 1 1 102 102 ARG CA C 13 55.9 0.3 . 1 . . . A 102 ARG CA . 18818 1 1060 . 1 1 102 102 ARG CB C 13 30.7 0.3 . 1 . . . A 102 ARG CB . 18818 1 1061 . 1 1 102 102 ARG CG C 13 26.7 0.3 . 1 . . . A 102 ARG CG . 18818 1 1062 . 1 1 102 102 ARG CD C 13 43.1 0.3 . 1 . . . A 102 ARG CD . 18818 1 1063 . 1 1 102 102 ARG N N 15 124.6 0.3 . 1 . . . A 102 ARG N . 18818 1 1064 . 1 1 103 103 GLY H H 1 8.40 0.02 . 1 . . . A 103 GLY H . 18818 1 1065 . 1 1 103 103 GLY C C 13 172.9 0.3 . 1 . . . A 103 GLY C . 18818 1 1066 . 1 1 103 103 GLY CA C 13 45.0 0.3 . 1 . . . A 103 GLY CA . 18818 1 1067 . 1 1 103 103 GLY N N 15 110.4 0.3 . 1 . . . A 103 GLY N . 18818 1 1068 . 1 1 104 104 HIS H H 1 7.89 0.02 . 1 . . . A 104 HIS H . 18818 1 1069 . 1 1 104 104 HIS HA H 1 4.50 0.02 . 1 . . . A 104 HIS HA . 18818 1 1070 . 1 1 104 104 HIS HB2 H 1 3.25 0.02 . 2 . . . A 104 HIS HB2 . 18818 1 1071 . 1 1 104 104 HIS HB3 H 1 3.11 0.02 . 2 . . . A 104 HIS HB3 . 18818 1 1072 . 1 1 104 104 HIS HD2 H 1 7.10 0.02 . 1 . . . A 104 HIS HD2 . 18818 1 1073 . 1 1 104 104 HIS HE1 H 1 6.81 0.02 . 1 . . . A 104 HIS HE1 . 18818 1 1074 . 1 1 104 104 HIS C C 13 179.0 0.3 . 1 . . . A 104 HIS C . 18818 1 1075 . 1 1 104 104 HIS CA C 13 56.9 0.3 . 1 . . . A 104 HIS CA . 18818 1 1076 . 1 1 104 104 HIS CB C 13 30.3 0.3 . 1 . . . A 104 HIS CB . 18818 1 1077 . 1 1 104 104 HIS N N 15 123.4 0.3 . 1 . . . A 104 HIS N . 18818 1 stop_ save_