data_4590 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4590 _Entry.Title ; Solution structure of the human chemokine Eotaxin-2 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-05-05 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2001-03-08 _Entry.Original_release_date 2001-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Mayer . L. . 4590 2 M. Stone . J. . 4590 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4590 coupling_constants 1 4590 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 461 4590 '13C chemical shifts' 252 4590 '15N chemical shifts' 76 4590 'coupling constants' 51 4590 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-03-08 2000-05-05 original author . 4590 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4590 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20374512 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Solution Structure and Receptor Peptide Binding of the CC-CHemokine Eotaxin-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 39 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8382 _Citation.Page_last 8395 _Citation.Year 2000 _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 K. Mayer . L. . 4590 1 2 M. Stone . J. . 4590 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chemokine 4590 1 'chemotactic cytokine' 4590 1 'eosinophil chemoattractant' 4590 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EOTAXIN-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EOTAXIN-2 _Assembly.Entry_ID 4590 _Assembly.ID 1 _Assembly.Name EOTAXIN-2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4590 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EOTAXIN-2 1 $EOTAXIN-2 . . . native . . . . . 4590 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 7 7 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 4590 1 2 disulfide single . 1 . . CYS 8 8 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 4590 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EIG . . . . . . 4590 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID EOTAXIN-2 system 4590 1 EOTAXIN-2 abbreviation 4590 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EOTAXIN-2 _Entity.Sf_category entity _Entity.Sf_framecode EOTAXIN-2 _Entity.Entry_ID 4590 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EOTAXIN-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VVIPSPCCMFFVSKRIPENR VVSYQLSSRSTCLKAGVIFT TKKGQQSCGDPKQEWVQRYM KNLDAKQKKASPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1EIG . "Solution Structure Of The Human Chemokine Eotaxin-2" . . . . . 100.00 73 100.00 100.00 3.91e-45 . . . . 4590 1 2 no PDB 1EIH . "Solution Structure Of The Human Chemokine Eotaxin-2" . . . . . 100.00 73 100.00 100.00 3.91e-45 . . . . 4590 1 3 no DBJ BAG35149 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 119 97.26 98.63 8.21e-44 . . . . 4590 1 4 no DBJ BAJ21120 . "chemokine (C-C motif) ligand 24 [synthetic construct]" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 5 no EMBL CAA11383 . "MPIF-2 [Homo sapiens]" . . . . . 100.00 115 98.63 98.63 3.13e-44 . . . . 4590 1 6 no GB AAB51135 . "MPIF-2 [Homo sapiens]" . . . . . 100.00 119 97.26 97.26 1.32e-43 . . . . 4590 1 7 no GB AAD15410 . "unknown [Homo sapiens]" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 8 no GB AAH69072 . "Small inducible cytokine A24, precursor [Homo sapiens]" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 9 no GB AAH69391 . "Chemokine (C-C motif) ligand 24 [Homo sapiens]" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 10 no GB ADQ32923 . "chemokine (C-C motif) ligand 24 [synthetic construct]" . . . . . 100.00 119 97.26 97.26 2.35e-43 . . . . 4590 1 11 no REF NP_002982 . "C-C motif chemokine 24 precursor [Homo sapiens]" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 12 no REF XP_001155246 . "PREDICTED: C-C motif chemokine 24 [Pan troglodytes]" . . . . . 100.00 119 97.26 97.26 8.86e-44 . . . . 4590 1 13 no REF XP_003808972 . "PREDICTED: C-C motif chemokine 24 [Pan paniscus]" . . . . . 100.00 119 97.26 97.26 8.86e-44 . . . . 4590 1 14 no REF XP_004045658 . "PREDICTED: c-C motif chemokine 24 [Gorilla gorilla gorilla]" . . . . . 52.05 64 97.37 100.00 5.50e-17 . . . . 4590 1 15 no REF XP_009451649 . "PREDICTED: C-C motif chemokine 24 [Pan troglodytes]" . . . . . 100.00 119 97.26 97.26 8.86e-44 . . . . 4590 1 16 no SP O00175 . "RecName: Full=C-C motif chemokine 24; AltName: Full=CK-beta-6; AltName: Full=Eosinophil chemotactic protein 2; AltName: Full=Eo" . . . . . 100.00 119 98.63 98.63 3.41e-44 . . . . 4590 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EOTAXIN-2 common 4590 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 . VAL . 4590 1 2 . VAL . 4590 1 3 . ILE . 4590 1 4 . PRO . 4590 1 5 . SER . 4590 1 6 . PRO . 4590 1 7 . CYS . 4590 1 8 . CYS . 4590 1 9 . MET . 4590 1 10 . PHE . 4590 1 11 . PHE . 4590 1 12 . VAL . 4590 1 13 . SER . 4590 1 14 . LYS . 4590 1 15 . ARG . 4590 1 16 . ILE . 4590 1 17 . PRO . 4590 1 18 . GLU . 4590 1 19 . ASN . 4590 1 20 . ARG . 4590 1 21 . VAL . 4590 1 22 . VAL . 4590 1 23 . SER . 4590 1 24 . TYR . 4590 1 25 . GLN . 4590 1 26 . LEU . 4590 1 27 . SER . 4590 1 28 . SER . 4590 1 29 . ARG . 4590 1 30 . SER . 4590 1 31 . THR . 4590 1 32 . CYS . 4590 1 33 . LEU . 4590 1 34 . LYS . 4590 1 35 . ALA . 4590 1 36 . GLY . 4590 1 37 . VAL . 4590 1 38 . ILE . 4590 1 39 . PHE . 4590 1 40 . THR . 4590 1 41 . THR . 4590 1 42 . LYS . 4590 1 43 . LYS . 4590 1 44 . GLY . 4590 1 45 . GLN . 4590 1 46 . GLN . 4590 1 47 . SER . 4590 1 48 . CYS . 4590 1 49 . GLY . 4590 1 50 . ASP . 4590 1 51 . PRO . 4590 1 52 . LYS . 4590 1 53 . GLN . 4590 1 54 . GLU . 4590 1 55 . TRP . 4590 1 56 . VAL . 4590 1 57 . GLN . 4590 1 58 . ARG . 4590 1 59 . TYR . 4590 1 60 . MET . 4590 1 61 . LYS . 4590 1 62 . ASN . 4590 1 63 . LEU . 4590 1 64 . ASP . 4590 1 65 . ALA . 4590 1 66 . LYS . 4590 1 67 . GLN . 4590 1 68 . LYS . 4590 1 69 . LYS . 4590 1 70 . ALA . 4590 1 71 . SER . 4590 1 72 . PRO . 4590 1 73 . ARG . 4590 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 . VAL 1 1 4590 1 . VAL 2 2 4590 1 . ILE 3 3 4590 1 . PRO 4 4 4590 1 . SER 5 5 4590 1 . PRO 6 6 4590 1 . CYS 7 7 4590 1 . CYS 8 8 4590 1 . MET 9 9 4590 1 . PHE 10 10 4590 1 . PHE 11 11 4590 1 . VAL 12 12 4590 1 . SER 13 13 4590 1 . LYS 14 14 4590 1 . ARG 15 15 4590 1 . ILE 16 16 4590 1 . PRO 17 17 4590 1 . GLU 18 18 4590 1 . ASN 19 19 4590 1 . ARG 20 20 4590 1 . VAL 21 21 4590 1 . VAL 22 22 4590 1 . SER 23 23 4590 1 . TYR 24 24 4590 1 . GLN 25 25 4590 1 . LEU 26 26 4590 1 . SER 27 27 4590 1 . SER 28 28 4590 1 . ARG 29 29 4590 1 . SER 30 30 4590 1 . THR 31 31 4590 1 . CYS 32 32 4590 1 . LEU 33 33 4590 1 . LYS 34 34 4590 1 . ALA 35 35 4590 1 . GLY 36 36 4590 1 . VAL 37 37 4590 1 . ILE 38 38 4590 1 . PHE 39 39 4590 1 . THR 40 40 4590 1 . THR 41 41 4590 1 . LYS 42 42 4590 1 . LYS 43 43 4590 1 . GLY 44 44 4590 1 . GLN 45 45 4590 1 . GLN 46 46 4590 1 . SER 47 47 4590 1 . CYS 48 48 4590 1 . GLY 49 49 4590 1 . ASP 50 50 4590 1 . PRO 51 51 4590 1 . LYS 52 52 4590 1 . GLN 53 53 4590 1 . GLU 54 54 4590 1 . TRP 55 55 4590 1 . VAL 56 56 4590 1 . GLN 57 57 4590 1 . ARG 58 58 4590 1 . TYR 59 59 4590 1 . MET 60 60 4590 1 . LYS 61 61 4590 1 . ASN 62 62 4590 1 . LEU 63 63 4590 1 . ASP 64 64 4590 1 . ALA 65 65 4590 1 . LYS 66 66 4590 1 . GLN 67 67 4590 1 . LYS 68 68 4590 1 . LYS 69 69 4590 1 . ALA 70 70 4590 1 . SER 71 71 4590 1 . PRO 72 72 4590 1 . ARG 73 73 4590 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 4590 _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 $EOTAXIN-2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4590 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 4590 _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 $EOTAXIN-2 . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli plasmid . . . . . . . . . . . . . . . PET28A . . . . . . 4590 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4590 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EOTAXIN-2 '[U-15N; U-13C]' . . 1 $EOTAXIN-2 . . 1 . . mM . . . . 4590 1 2 NaAc . . . . . . . 20 . . mM . . . . 4590 1 3 H2O . . . . . . . 90 . . % . . . . 4590 1 4 D2O . . . . . . . 10 . . % . . . . 4590 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4590 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EOTAXIN-2 [U-13C] . . 1 $EOTAXIN-2 . . 1 . . mM . . . . 4590 2 2 NaAc . . . . . . . 20 . . mM . . . . 4590 2 3 H2O . . . . . . . 90 . . % . . . . 4590 2 4 D2O . . . . . . . 10 . . % . . . . 4590 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4590 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EOTAXIN-2 '[U-15N; U-13C]' . . 1 $EOTAXIN-2 . . 1 . . mM . . . . 4590 3 2 NaAc . . . . . . . 20 . . mM . . . . 4590 3 3 D2O . . . . . . . 100 . . % . . . . 4590 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4590 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EOTAXIN-2 '[U-10% 13C]' . . 1 $EOTAXIN-2 . . 1 . . mM . . . . 4590 4 2 NaAc . . . . . . . 20 . . mM . . . . 4590 4 3 D2O . . . . . . . 100 . . % . . . . 4590 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4590 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.1 . n/a 4590 1 temperature 298 . K 4590 1 'ionic strength' 20 . mM 4590 1 pressure 1 . atm 4590 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4590 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4590 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4590 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4590 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4590 _Software.ID 3 _Software.Name X-PLOR _Software.Version 98 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4590 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4590 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4590 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian 'Unity INOVA' . 500 . . . 4590 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 4590 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4590 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . . . . . 4590 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 4590 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 4590 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_chemical_shift_set_EOTAXIN-2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_EOTAXIN-2 _Assigned_chem_shift_list.Entry_ID 4590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4590 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL CA C 13 61.17 . . 1 . . . . . . . . 4590 1 2 . 1 1 1 1 VAL HA H 1 3.85 . . 1 . . . . . . . . 4590 1 3 . 1 1 1 1 VAL CB C 13 32.9 . . 1 . . . . . . . . 4590 1 4 . 1 1 1 1 VAL HB H 1 2.19 . . 1 . . . . . . . . 4590 1 5 . 1 1 1 1 VAL CG1 C 13 20.37 . . 1 . . . . . . . . 4590 1 6 . 1 1 1 1 VAL HG11 H 1 1.00 . . 1 . . . . . . . . 4590 1 7 . 1 1 1 1 VAL HG12 H 1 1.00 . . 1 . . . . . . . . 4590 1 8 . 1 1 1 1 VAL HG13 H 1 1.00 . . 1 . . . . . . . . 4590 1 9 . 1 1 1 1 VAL CG2 C 13 19.9 . . 1 . . . . . . . . 4590 1 10 . 1 1 1 1 VAL HG21 H 1 1.00 . . 1 . . . . . . . . 4590 1 11 . 1 1 1 1 VAL HG22 H 1 1.00 . . 1 . . . . . . . . 4590 1 12 . 1 1 1 1 VAL HG23 H 1 1.00 . . 1 . . . . . . . . 4590 1 13 . 1 1 2 2 VAL H H 1 8.55 . . 1 . . . . . . . . 4590 1 14 . 1 1 2 2 VAL N N 15 125.39 . . 1 . . . . . . . . 4590 1 15 . 1 1 2 2 VAL CA C 13 62.24 . . 1 . . . . . . . . 4590 1 16 . 1 1 2 2 VAL HA H 1 4.16 . . 1 . . . . . . . . 4590 1 17 . 1 1 2 2 VAL CB C 13 32.67 . . 1 . . . . . . . . 4590 1 18 . 1 1 2 2 VAL HB H 1 1.99 . . 1 . . . . . . . . 4590 1 19 . 1 1 2 2 VAL CG1 C 13 21.02 . . 1 . . . . . . . . 4590 1 20 . 1 1 2 2 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4590 1 21 . 1 1 2 2 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4590 1 22 . 1 1 2 2 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4590 1 23 . 1 1 2 2 VAL CG2 C 13 20.84 . . 1 . . . . . . . . 4590 1 24 . 1 1 2 2 VAL HG21 H 1 0.95 . . 1 . . . . . . . . 4590 1 25 . 1 1 2 2 VAL HG22 H 1 0.95 . . 1 . . . . . . . . 4590 1 26 . 1 1 2 2 VAL HG23 H 1 0.95 . . 1 . . . . . . . . 4590 1 27 . 1 1 3 3 ILE H H 1 8.51 . . 1 . . . . . . . . 4590 1 28 . 1 1 3 3 ILE N N 15 128.61 . . 1 . . . . . . . . 4590 1 29 . 1 1 3 3 ILE CA C 13 58.01 . . 1 . . . . . . . . 4590 1 30 . 1 1 3 3 ILE HA H 1 4.49 . . 1 . . . . . . . . 4590 1 31 . 1 1 3 3 ILE CB C 13 38.49 . . 1 . . . . . . . . 4590 1 32 . 1 1 3 3 ILE HB H 1 1.85 . . 1 . . . . . . . . 4590 1 33 . 1 1 3 3 ILE CG1 C 13 26.77 . . 1 . . . . . . . . 4590 1 34 . 1 1 3 3 ILE HG12 H 1 1.21 . . 1 . . . . . . . . 4590 1 35 . 1 1 3 3 ILE HG13 H 1 1.52 . . 1 . . . . . . . . 4590 1 36 . 1 1 3 3 ILE CG2 C 13 17.32 . . 1 . . . . . . . . 4590 1 37 . 1 1 3 3 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 4590 1 38 . 1 1 3 3 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 4590 1 39 . 1 1 3 3 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 4590 1 40 . 1 1 3 3 ILE CD1 C 13 12.60 . . 1 . . . . . . . . 4590 1 41 . 1 1 3 3 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4590 1 42 . 1 1 3 3 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4590 1 43 . 1 1 3 3 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4590 1 44 . 1 1 4 4 PRO CA C 13 62.67 . . 1 . . . . . . . . 4590 1 45 . 1 1 4 4 PRO HA H 1 4.42 . . 1 . . . . . . . . 4590 1 46 . 1 1 4 4 PRO CB C 13 31.97 . . 1 . . . . . . . . 4590 1 47 . 1 1 4 4 PRO HB2 H 1 1.86 . . 1 . . . . . . . . 4590 1 48 . 1 1 4 4 PRO HB3 H 1 2.28 . . 1 . . . . . . . . 4590 1 49 . 1 1 4 4 PRO CG C 13 27.22 . . 1 . . . . . . . . 4590 1 50 . 1 1 4 4 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 4590 1 51 . 1 1 4 4 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 4590 1 52 . 1 1 4 4 PRO CD C 13 51.08 . . 1 . . . . . . . . 4590 1 53 . 1 1 4 4 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4590 1 54 . 1 1 4 4 PRO HD3 H 1 3.92 . . 2 . . . . . . . . 4590 1 55 . 1 1 5 5 SER H H 1 8.40 . . 1 . . . . . . . . 4590 1 56 . 1 1 5 5 SER N N 15 117.56 . . 1 . . . . . . . . 4590 1 57 . 1 1 5 5 SER CA C 13 56.06 . . 1 . . . . . . . . 4590 1 58 . 1 1 5 5 SER HA H 1 4.71 . . 1 . . . . . . . . 4590 1 59 . 1 1 5 5 SER CB C 13 63.62 . . 1 . . . . . . . . 4590 1 60 . 1 1 5 5 SER HB2 H 1 3.8 . . 1 . . . . . . . . 4590 1 61 . 1 1 5 5 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4590 1 62 . 1 1 6 6 PRO CA C 13 62.91 . . 1 . . . . . . . . 4590 1 63 . 1 1 6 6 PRO HA H 1 4.46 . . 1 . . . . . . . . 4590 1 64 . 1 1 6 6 PRO CB C 13 32.03 . . 1 . . . . . . . . 4590 1 65 . 1 1 6 6 PRO HB2 H 1 1.86 . . 1 . . . . . . . . 4590 1 66 . 1 1 6 6 PRO HB3 H 1 2.22 . . 1 . . . . . . . . 4590 1 67 . 1 1 6 6 PRO CG C 13 27.22 . . 1 . . . . . . . . 4590 1 68 . 1 1 6 6 PRO HG2 H 1 1.94 . . 2 . . . . . . . . 4590 1 69 . 1 1 6 6 PRO CD C 13 50.84 . . 1 . . . . . . . . 4590 1 70 . 1 1 6 6 PRO HD2 H 1 3.63 . . 2 . . . . . . . . 4590 1 71 . 1 1 6 6 PRO HD3 H 1 3.77 . . 2 . . . . . . . . 4590 1 72 . 1 1 7 7 CYS H H 1 8.44 . . 1 . . . . . . . . 4590 1 73 . 1 1 7 7 CYS N N 15 118.24 . . 1 . . . . . . . . 4590 1 74 . 1 1 7 7 CYS CA C 13 53.24 . . 1 . . . . . . . . 4590 1 75 . 1 1 7 7 CYS HA H 1 4.86 . . 1 . . . . . . . . 4590 1 76 . 1 1 7 7 CYS CB C 13 39.24 . . 1 . . . . . . . . 4590 1 77 . 1 1 7 7 CYS HB2 H 1 2.67 . . 1 . . . . . . . . 4590 1 78 . 1 1 7 7 CYS HB3 H 1 3.16 . . 1 . . . . . . . . 4590 1 79 . 1 1 8 8 CYS H H 1 8.87 . . 1 . . . . . . . . 4590 1 80 . 1 1 8 8 CYS N N 15 122.61 . . 1 . . . . . . . . 4590 1 81 . 1 1 8 8 CYS CA C 13 56.57 . . 1 . . . . . . . . 4590 1 82 . 1 1 8 8 CYS HA H 1 4.36 . . 1 . . . . . . . . 4590 1 83 . 1 1 8 8 CYS CB C 13 44.9 . . 1 . . . . . . . . 4590 1 84 . 1 1 8 8 CYS HB2 H 1 2.7 . . 1 . . . . . . . . 4590 1 85 . 1 1 8 8 CYS HB3 H 1 2.94 . . 1 . . . . . . . . 4590 1 86 . 1 1 9 9 MET H H 1 8.94 . . 1 . . . . . . . . 4590 1 87 . 1 1 9 9 MET N N 15 125.30 . . 1 . . . . . . . . 4590 1 88 . 1 1 9 9 MET CA C 13 56.03 . . 1 . . . . . . . . 4590 1 89 . 1 1 9 9 MET HA H 1 4.44 . . 1 . . . . . . . . 4590 1 90 . 1 1 9 9 MET CB C 13 32.36 . . 1 . . . . . . . . 4590 1 91 . 1 1 9 9 MET HB2 H 1 2.45 . . 1 . . . . . . . . 4590 1 92 . 1 1 9 9 MET HB3 H 1 2.64 . . 1 . . . . . . . . 4590 1 93 . 1 1 9 9 MET CG C 13 32.44 . . 1 . . . . . . . . 4590 1 94 . 1 1 9 9 MET HG2 H 1 1.99 . . 2 . . . . . . . . 4590 1 95 . 1 1 9 9 MET HG3 H 1 2.09 . . 2 . . . . . . . . 4590 1 96 . 1 1 10 10 PHE H H 1 7.27 . . 1 . . . . . . . . 4590 1 97 . 1 1 10 10 PHE N N 15 114.18 . . 1 . . . . . . . . 4590 1 98 . 1 1 10 10 PHE CA C 13 55.61 . . 1 . . . . . . . . 4590 1 99 . 1 1 10 10 PHE HA H 1 4.39 . . 1 . . . . . . . . 4590 1 100 . 1 1 10 10 PHE CB C 13 40.18 . . 1 . . . . . . . . 4590 1 101 . 1 1 10 10 PHE HB2 H 1 2.94 . . 1 . . . . . . . . 4590 1 102 . 1 1 10 10 PHE HB3 H 1 3.27 . . 1 . . . . . . . . 4590 1 103 . 1 1 10 10 PHE CD1 C 13 133.21 . . 2 . . . . . . . . 4590 1 104 . 1 1 10 10 PHE HD1 H 1 7.11 . . 2 . . . . . . . . 4590 1 105 . 1 1 10 10 PHE CE1 C 13 130.97 . . 2 . . . . . . . . 4590 1 106 . 1 1 10 10 PHE HE1 H 1 7.42 . . 2 . . . . . . . . 4590 1 107 . 1 1 10 10 PHE CZ C 13 118.29 . . 1 . . . . . . . . 4590 1 108 . 1 1 10 10 PHE HZ H 1 6.81 . . 1 . . . . . . . . 4590 1 109 . 1 1 11 11 PHE H H 1 8.80 . . 1 . . . . . . . . 4590 1 110 . 1 1 11 11 PHE N N 15 121.02 . . 1 . . . . . . . . 4590 1 111 . 1 1 11 11 PHE CA C 13 54.63 . . 1 . . . . . . . . 4590 1 112 . 1 1 11 11 PHE HA H 1 5.21 . . 1 . . . . . . . . 4590 1 113 . 1 1 11 11 PHE CB C 13 39.95 . . 1 . . . . . . . . 4590 1 114 . 1 1 11 11 PHE HB2 H 1 2.98 . . 1 . . . . . . . . 4590 1 115 . 1 1 11 11 PHE HB3 H 1 3.36 . . 1 . . . . . . . . 4590 1 116 . 1 1 11 11 PHE CD1 C 13 130.97 . . 2 . . . . . . . . 4590 1 117 . 1 1 11 11 PHE HD1 H 1 7.14 . . 2 . . . . . . . . 4590 1 118 . 1 1 11 11 PHE CE1 C 13 131.71 . . 2 . . . . . . . . 4590 1 119 . 1 1 11 11 PHE HE1 H 1 7.30 . . 2 . . . . . . . . 4590 1 120 . 1 1 12 12 VAL H H 1 9.08 . . 1 . . . . . . . . 4590 1 121 . 1 1 12 12 VAL N N 15 119.23 . . 1 . . . . . . . . 4590 1 122 . 1 1 12 12 VAL CA C 13 62.47 . . 1 . . . . . . . . 4590 1 123 . 1 1 12 12 VAL HA H 1 4.53 . . 1 . . . . . . . . 4590 1 124 . 1 1 12 12 VAL CB C 13 32.56 . . 1 . . . . . . . . 4590 1 125 . 1 1 12 12 VAL HB H 1 2.56 . . 1 . . . . . . . . 4590 1 126 . 1 1 12 12 VAL CG1 C 13 19.66 . . 1 . . . . . . . . 4590 1 127 . 1 1 12 12 VAL HG11 H 1 1.35 . . 1 . . . . . . . . 4590 1 128 . 1 1 12 12 VAL HG12 H 1 1.35 . . 1 . . . . . . . . 4590 1 129 . 1 1 12 12 VAL HG13 H 1 1.35 . . 1 . . . . . . . . 4590 1 130 . 1 1 12 12 VAL CG2 C 13 22.5 . . 1 . . . . . . . . 4590 1 131 . 1 1 12 12 VAL HG21 H 1 1.38 . . 1 . . . . . . . . 4590 1 132 . 1 1 12 12 VAL HG22 H 1 1.38 . . 1 . . . . . . . . 4590 1 133 . 1 1 12 12 VAL HG23 H 1 1.38 . . 1 . . . . . . . . 4590 1 134 . 1 1 13 13 SER H H 1 8.81 . . 1 . . . . . . . . 4590 1 135 . 1 1 13 13 SER N N 15 118.25 . . 1 . . . . . . . . 4590 1 136 . 1 1 13 13 SER CA C 13 59.41 . . 1 . . . . . . . . 4590 1 137 . 1 1 13 13 SER HA H 1 4.63 . . 1 . . . . . . . . 4590 1 138 . 1 1 13 13 SER CB C 13 63.98 . . 1 . . . . . . . . 4590 1 139 . 1 1 13 13 SER HB2 H 1 4.03 . . 1 . . . . . . . . 4590 1 140 . 1 1 13 13 SER HB3 H 1 4.08 . . 1 . . . . . . . . 4590 1 141 . 1 1 14 14 LYS H H 1 7.53 . . 1 . . . . . . . . 4590 1 142 . 1 1 14 14 LYS N N 15 120.98 . . 1 . . . . . . . . 4590 1 143 . 1 1 14 14 LYS CA C 13 54.55 . . 1 . . . . . . . . 4590 1 144 . 1 1 14 14 LYS HA H 1 4.44 . . 1 . . . . . . . . 4590 1 145 . 1 1 14 14 LYS CB C 13 34.67 . . 1 . . . . . . . . 4590 1 146 . 1 1 14 14 LYS HB2 H 1 1.65 . . 1 . . . . . . . . 4590 1 147 . 1 1 14 14 LYS CG C 13 24.62 . . 1 . . . . . . . . 4590 1 148 . 1 1 14 14 LYS HG2 H 1 1.33 . . 2 . . . . . . . . 4590 1 149 . 1 1 14 14 LYS CD C 13 29.11 . . 1 . . . . . . . . 4590 1 150 . 1 1 14 14 LYS HD2 H 1 1.64 . . 2 . . . . . . . . 4590 1 151 . 1 1 14 14 LYS CE C 13 42.10 . . 1 . . . . . . . . 4590 1 152 . 1 1 14 14 LYS HE2 H 1 2.97 . . 2 . . . . . . . . 4590 1 153 . 1 1 15 15 ARG H H 1 7.93 . . 1 . . . . . . . . 4590 1 154 . 1 1 15 15 ARG N N 15 121.57 . . 1 . . . . . . . . 4590 1 155 . 1 1 15 15 ARG CA C 13 56.06 . . 1 . . . . . . . . 4590 1 156 . 1 1 15 15 ARG HA H 1 2.06 . . 1 . . . . . . . . 4590 1 157 . 1 1 15 15 ARG CB C 13 29.98 . . 1 . . . . . . . . 4590 1 158 . 1 1 15 15 ARG HB2 H 1 0.55 . . 1 . . . . . . . . 4590 1 159 . 1 1 15 15 ARG HB3 H 1 0.71 . . 1 . . . . . . . . 4590 1 160 . 1 1 15 15 ARG CG C 13 25.57 . . 1 . . . . . . . . 4590 1 161 . 1 1 15 15 ARG HG2 H 1 0.26 . . 2 . . . . . . . . 4590 1 162 . 1 1 15 15 ARG HG3 H 1 0.59 . . 2 . . . . . . . . 4590 1 163 . 1 1 15 15 ARG CD C 13 43.76 . . 1 . . . . . . . . 4590 1 164 . 1 1 15 15 ARG HD2 H 1 2.61 . . 2 . . . . . . . . 4590 1 165 . 1 1 15 15 ARG HD3 H 1 2.80 . . 2 . . . . . . . . 4590 1 166 . 1 1 16 16 ILE H H 1 5.13 . . 1 . . . . . . . . 4590 1 167 . 1 1 16 16 ILE N N 15 125.04 . . 1 . . . . . . . . 4590 1 168 . 1 1 16 16 ILE CA C 13 58.35 . . 1 . . . . . . . . 4590 1 169 . 1 1 16 16 ILE HA H 1 4.16 . . 1 . . . . . . . . 4590 1 170 . 1 1 16 16 ILE CB C 13 40.64 . . 1 . . . . . . . . 4590 1 171 . 1 1 16 16 ILE HB H 1 1.44 . . 1 . . . . . . . . 4590 1 172 . 1 1 16 16 ILE CG1 C 13 26.77 . . 1 . . . . . . . . 4590 1 173 . 1 1 16 16 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4590 1 174 . 1 1 16 16 ILE HG13 H 1 1.63 . . 2 . . . . . . . . 4590 1 175 . 1 1 16 16 ILE CG2 C 13 16.45 . . 1 . . . . . . . . 4590 1 176 . 1 1 16 16 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4590 1 177 . 1 1 16 16 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4590 1 178 . 1 1 16 16 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4590 1 179 . 1 1 16 16 ILE CD1 C 13 14.49 . . 1 . . . . . . . . 4590 1 180 . 1 1 16 16 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4590 1 181 . 1 1 16 16 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4590 1 182 . 1 1 16 16 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4590 1 183 . 1 1 17 17 PRO CA C 13 63.9 . . 1 . . . . . . . . 4590 1 184 . 1 1 17 17 PRO HA H 1 4.2 . . 1 . . . . . . . . 4590 1 185 . 1 1 17 17 PRO CB C 13 31.81 . . 1 . . . . . . . . 4590 1 186 . 1 1 17 17 PRO HB2 H 1 1.81 . . 1 . . . . . . . . 4590 1 187 . 1 1 17 17 PRO HB3 H 1 2.33 . . 1 . . . . . . . . 4590 1 188 . 1 1 17 17 PRO CG C 13 28.17 . . 1 . . . . . . . . 4590 1 189 . 1 1 17 17 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 4590 1 190 . 1 1 17 17 PRO CD C 13 50.84 . . 1 . . . . . . . . 4590 1 191 . 1 1 17 17 PRO HD2 H 1 3.44 . . 2 . . . . . . . . 4590 1 192 . 1 1 17 17 PRO HD3 H 1 3.91 . . 2 . . . . . . . . 4590 1 193 . 1 1 18 18 GLU H H 1 8.63 . . 1 . . . . . . . . 4590 1 194 . 1 1 18 18 GLU N N 15 128.09 . . 1 . . . . . . . . 4590 1 195 . 1 1 18 18 GLU CA C 13 59.93 . . 1 . . . . . . . . 4590 1 196 . 1 1 18 18 GLU HA H 1 3.22 . . 1 . . . . . . . . 4590 1 197 . 1 1 18 18 GLU CB C 13 29.45 . . 1 . . . . . . . . 4590 1 198 . 1 1 18 18 GLU HB2 H 1 1.67 . . 1 . . . . . . . . 4590 1 199 . 1 1 18 18 GLU CG C 13 35.49 . . 1 . . . . . . . . 4590 1 200 . 1 1 18 18 GLU HG2 H 1 1.09 . . 2 . . . . . . . . 4590 1 201 . 1 1 18 18 GLU HG3 H 1 1.94 . . 2 . . . . . . . . 4590 1 202 . 1 1 19 19 ASN H H 1 8.35 . . 1 . . . . . . . . 4590 1 203 . 1 1 19 19 ASN N N 15 112.71 . . 1 . . . . . . . . 4590 1 204 . 1 1 19 19 ASN CA C 13 54.08 . . 1 . . . . . . . . 4590 1 205 . 1 1 19 19 ASN HA H 1 4.41 . . 1 . . . . . . . . 4590 1 206 . 1 1 19 19 ASN CB C 13 36.76 . . 1 . . . . . . . . 4590 1 207 . 1 1 19 19 ASN HB2 H 1 2.77 . . 1 . . . . . . . . 4590 1 208 . 1 1 19 19 ASN HB3 H 1 3.03 . . 1 . . . . . . . . 4590 1 209 . 1 1 19 19 ASN ND2 N 15 110.44 . . 1 . . . . . . . . 4590 1 210 . 1 1 19 19 ASN HD21 H 1 7.55 . . 1 . . . . . . . . 4590 1 211 . 1 1 19 19 ASN HD22 H 1 6.69 . . 1 . . . . . . . . 4590 1 212 . 1 1 20 20 ARG H H 1 7.78 . . 1 . . . . . . . . 4590 1 213 . 1 1 20 20 ARG N N 15 116.33 . . 1 . . . . . . . . 4590 1 214 . 1 1 20 20 ARG CA C 13 55.83 . . 1 . . . . . . . . 4590 1 215 . 1 1 20 20 ARG HA H 1 4.39 . . 1 . . . . . . . . 4590 1 216 . 1 1 20 20 ARG CB C 13 31.15 . . 1 . . . . . . . . 4590 1 217 . 1 1 20 20 ARG HB2 H 1 1.81 . . 1 . . . . . . . . 4590 1 218 . 1 1 20 20 ARG HB3 H 1 2.14 . . 1 . . . . . . . . 4590 1 219 . 1 1 20 20 ARG CG C 13 27.22 . . 1 . . . . . . . . 4590 1 220 . 1 1 20 20 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 4590 1 221 . 1 1 20 20 ARG CD C 13 43.52 . . 1 . . . . . . . . 4590 1 222 . 1 1 20 20 ARG HD2 H 1 3.06 . . 2 . . . . . . . . 4590 1 223 . 1 1 20 20 ARG HD3 H 1 3.20 . . 2 . . . . . . . . 4590 1 224 . 1 1 21 21 VAL H H 1 7.45 . . 1 . . . . . . . . 4590 1 225 . 1 1 21 21 VAL N N 15 117.82 . . 1 . . . . . . . . 4590 1 226 . 1 1 21 21 VAL CA C 13 63.61 . . 1 . . . . . . . . 4590 1 227 . 1 1 21 21 VAL HA H 1 4.11 . . 1 . . . . . . . . 4590 1 228 . 1 1 21 21 VAL CB C 13 32.62 . . 1 . . . . . . . . 4590 1 229 . 1 1 21 21 VAL HB H 1 2.19 . . 1 . . . . . . . . 4590 1 230 . 1 1 21 21 VAL CG1 C 13 21.79 . . 1 . . . . . . . . 4590 1 231 . 1 1 21 21 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4590 1 232 . 1 1 21 21 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4590 1 233 . 1 1 21 21 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4590 1 234 . 1 1 21 21 VAL CG2 C 13 23.91 . . 1 . . . . . . . . 4590 1 235 . 1 1 21 21 VAL HG21 H 1 1.09 . . 1 . . . . . . . . 4590 1 236 . 1 1 21 21 VAL HG22 H 1 1.09 . . 1 . . . . . . . . 4590 1 237 . 1 1 21 21 VAL HG23 H 1 1.09 . . 1 . . . . . . . . 4590 1 238 . 1 1 22 22 VAL H H 1 9.00 . . 1 . . . . . . . . 4590 1 239 . 1 1 22 22 VAL N N 15 120.17 . . 1 . . . . . . . . 4590 1 240 . 1 1 22 22 VAL CA C 13 62.12 . . 1 . . . . . . . . 4590 1 241 . 1 1 22 22 VAL HA H 1 4.48 . . 1 . . . . . . . . 4590 1 242 . 1 1 22 22 VAL CB C 13 33.77 . . 1 . . . . . . . . 4590 1 243 . 1 1 22 22 VAL HB H 1 2.09 . . 1 . . . . . . . . 4590 1 244 . 1 1 22 22 VAL CG1 C 13 19.9 . . 1 . . . . . . . . 4590 1 245 . 1 1 22 22 VAL HG11 H 1 0.81 . . 1 . . . . . . . . 4590 1 246 . 1 1 22 22 VAL HG12 H 1 0.81 . . 1 . . . . . . . . 4590 1 247 . 1 1 22 22 VAL HG13 H 1 0.81 . . 1 . . . . . . . . 4590 1 248 . 1 1 22 22 VAL CG2 C 13 21.55 . . 1 . . . . . . . . 4590 1 249 . 1 1 22 22 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4590 1 250 . 1 1 22 22 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4590 1 251 . 1 1 22 22 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4590 1 252 . 1 1 23 23 SER H H 1 7.89 . . 1 . . . . . . . . 4590 1 253 . 1 1 23 23 SER N N 15 112.65 . . 1 . . . . . . . . 4590 1 254 . 1 1 23 23 SER CA C 13 58.18 . . 1 . . . . . . . . 4590 1 255 . 1 1 23 23 SER HA H 1 4.81 . . 1 . . . . . . . . 4590 1 256 . 1 1 23 23 SER CB C 13 64.95 . . 1 . . . . . . . . 4590 1 257 . 1 1 23 23 SER HB2 H 1 3.97 . . 1 . . . . . . . . 4590 1 258 . 1 1 23 23 SER HB3 H 1 4.67 . . 1 . . . . . . . . 4590 1 259 . 1 1 24 24 TYR H H 1 8.64 . . 1 . . . . . . . . 4590 1 260 . 1 1 24 24 TYR N N 15 116.93 . . 1 . . . . . . . . 4590 1 261 . 1 1 24 24 TYR CA C 13 56.06 . . 1 . . . . . . . . 4590 1 262 . 1 1 24 24 TYR HA H 1 5.89 . . 1 . . . . . . . . 4590 1 263 . 1 1 24 24 TYR CB C 13 42.66 . . 1 . . . . . . . . 4590 1 264 . 1 1 24 24 TYR HB2 H 1 2.35 . . 1 . . . . . . . . 4590 1 265 . 1 1 24 24 TYR HB3 H 1 2.7 . . 1 . . . . . . . . 4590 1 266 . 1 1 24 24 TYR CD1 C 13 132.46 . . 2 . . . . . . . . 4590 1 267 . 1 1 24 24 TYR HD1 H 1 6.77 . . 2 . . . . . . . . 4590 1 268 . 1 1 24 24 TYR CE1 C 13 118.29 . . 2 . . . . . . . . 4590 1 269 . 1 1 24 24 TYR HE1 H 1 6.86 . . 2 . . . . . . . . 4590 1 270 . 1 1 25 25 GLN H H 1 8.61 . . 1 . . . . . . . . 4590 1 271 . 1 1 25 25 GLN N N 15 117.91 . . 1 . . . . . . . . 4590 1 272 . 1 1 25 25 GLN CA C 13 54.3 . . 1 . . . . . . . . 4590 1 273 . 1 1 25 25 GLN HA H 1 4.44 . . 1 . . . . . . . . 4590 1 274 . 1 1 25 25 GLN CB C 13 33.53 . . 1 . . . . . . . . 4590 1 275 . 1 1 25 25 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 4590 1 276 . 1 1 25 25 GLN HB3 H 1 2.23 . . 1 . . . . . . . . 4590 1 277 . 1 1 25 25 GLN HG2 H 1 2.17 . . 2 . . . . . . . . 4590 1 278 . 1 1 25 25 GLN NE2 N 15 111.12 . . 1 . . . . . . . . 4590 1 279 . 1 1 25 25 GLN HE21 H 1 7.46 . . 2 . . . . . . . . 4590 1 280 . 1 1 25 25 GLN HE22 H 1 6.85 . . 2 . . . . . . . . 4590 1 281 . 1 1 26 26 LEU H H 1 9.07 . . 1 . . . . . . . . 4590 1 282 . 1 1 26 26 LEU N N 15 124.36 . . 1 . . . . . . . . 4590 1 283 . 1 1 26 26 LEU CA C 13 55.17 . . 1 . . . . . . . . 4590 1 284 . 1 1 26 26 LEU HA H 1 4.72 . . 1 . . . . . . . . 4590 1 285 . 1 1 26 26 LEU CB C 13 42.07 . . 1 . . . . . . . . 4590 1 286 . 1 1 26 26 LEU HB2 H 1 1.65 . . 1 . . . . . . . . 4590 1 287 . 1 1 26 26 LEU HB3 H 1 1.76 . . 1 . . . . . . . . 4590 1 288 . 1 1 26 26 LEU CG C 13 27.69 . . 1 . . . . . . . . 4590 1 289 . 1 1 26 26 LEU HG H 1 1.98 . . 1 . . . . . . . . 4590 1 290 . 1 1 26 26 LEU CD1 C 13 23.91 . . 1 . . . . . . . . 4590 1 291 . 1 1 26 26 LEU HD11 H 1 0.96 . . 1 . . . . . . . . 4590 1 292 . 1 1 26 26 LEU HD12 H 1 0.96 . . 1 . . . . . . . . 4590 1 293 . 1 1 26 26 LEU HD13 H 1 0.96 . . 1 . . . . . . . . 4590 1 294 . 1 1 26 26 LEU CD2 C 13 24.86 . . 1 . . . . . . . . 4590 1 295 . 1 1 26 26 LEU HD21 H 1 1.01 . . 1 . . . . . . . . 4590 1 296 . 1 1 26 26 LEU HD22 H 1 1.01 . . 1 . . . . . . . . 4590 1 297 . 1 1 26 26 LEU HD23 H 1 1.01 . . 1 . . . . . . . . 4590 1 298 . 1 1 27 27 SER H H 1 8.50 . . 1 . . . . . . . . 4590 1 299 . 1 1 27 27 SER N N 15 117.91 . . 1 . . . . . . . . 4590 1 300 . 1 1 27 27 SER CA C 13 57.51 . . 1 . . . . . . . . 4590 1 301 . 1 1 27 27 SER HA H 1 4.55 . . 1 . . . . . . . . 4590 1 302 . 1 1 27 27 SER CB C 13 63.71 . . 1 . . . . . . . . 4590 1 303 . 1 1 27 27 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4590 1 304 . 1 1 28 28 SER H H 1 8.53 . . 1 . . . . . . . . 4590 1 305 . 1 1 28 28 SER N N 15 119.27 . . 1 . . . . . . . . 4590 1 306 . 1 1 28 28 SER CA C 13 57.51 . . 1 . . . . . . . . 4590 1 307 . 1 1 28 28 SER HA H 1 4.63 . . 1 . . . . . . . . 4590 1 308 . 1 1 28 28 SER CB C 13 64.18 . . 1 . . . . . . . . 4590 1 309 . 1 1 28 28 SER HB2 H 1 3.83 . . 1 . . . . . . . . 4590 1 310 . 1 1 28 28 SER HB3 H 1 3.97 . . 1 . . . . . . . . 4590 1 311 . 1 1 29 29 ARG H H 1 8.52 . . 1 . . . . . . . . 4590 1 312 . 1 1 29 29 ARG N N 15 124.34 . . 1 . . . . . . . . 4590 1 313 . 1 1 29 29 ARG CA C 13 56.93 . . 1 . . . . . . . . 4590 1 314 . 1 1 29 29 ARG HA H 1 4.44 . . 1 . . . . . . . . 4590 1 315 . 1 1 29 29 ARG CB C 13 30.98 . . 1 . . . . . . . . 4590 1 316 . 1 1 29 29 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 4590 1 317 . 1 1 29 29 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 4590 1 318 . 1 1 29 29 ARG CG C 13 27.46 . . 1 . . . . . . . . 4590 1 319 . 1 1 29 29 ARG HG2 H 1 1.72 . . 2 . . . . . . . . 4590 1 320 . 1 1 29 29 ARG CD C 13 43.29 . . 1 . . . . . . . . 4590 1 321 . 1 1 29 29 ARG HD2 H 1 3.25 . . 2 . . . . . . . . 4590 1 322 . 1 1 30 30 SER H H 1 8.62 . . 1 . . . . . . . . 4590 1 323 . 1 1 30 30 SER N N 15 116.54 . . 1 . . . . . . . . 4590 1 324 . 1 1 30 30 SER CA C 13 60.75 . . 1 . . . . . . . . 4590 1 325 . 1 1 30 30 SER HA H 1 4.3 . . 1 . . . . . . . . 4590 1 326 . 1 1 30 30 SER CB C 13 63.13 . . 1 . . . . . . . . 4590 1 327 . 1 1 30 30 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4590 1 328 . 1 1 31 31 THR H H 1 7.37 . . 1 . . . . . . . . 4590 1 329 . 1 1 31 31 THR N N 15 109.73 . . 1 . . . . . . . . 4590 1 330 . 1 1 31 31 THR CA C 13 62.18 . . 1 . . . . . . . . 4590 1 331 . 1 1 31 31 THR HA H 1 4.34 . . 1 . . . . . . . . 4590 1 332 . 1 1 31 31 THR CB C 13 69.33 . . 1 . . . . . . . . 4590 1 333 . 1 1 31 31 THR HB H 1 4.37 . . 1 . . . . . . . . 4590 1 334 . 1 1 31 31 THR CG2 C 13 22.26 . . 1 . . . . . . . . 4590 1 335 . 1 1 31 31 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4590 1 336 . 1 1 31 31 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4590 1 337 . 1 1 31 31 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4590 1 338 . 1 1 32 32 CYS H H 1 7.72 . . 1 . . . . . . . . 4590 1 339 . 1 1 32 32 CYS N N 15 120.11 . . 1 . . . . . . . . 4590 1 340 . 1 1 32 32 CYS CA C 13 53.22 . . 1 . . . . . . . . 4590 1 341 . 1 1 32 32 CYS HA H 1 4.95 . . 1 . . . . . . . . 4590 1 342 . 1 1 32 32 CYS CB C 13 40 . . 1 . . . . . . . . 4590 1 343 . 1 1 32 32 CYS HB2 H 1 2.89 . . 1 . . . . . . . . 4590 1 344 . 1 1 32 32 CYS HB3 H 1 3.27 . . 1 . . . . . . . . 4590 1 345 . 1 1 33 33 LEU H H 1 8.31 . . 1 . . . . . . . . 4590 1 346 . 1 1 33 33 LEU N N 15 122.31 . . 1 . . . . . . . . 4590 1 347 . 1 1 33 33 LEU CA C 13 57.44 . . 1 . . . . . . . . 4590 1 348 . 1 1 33 33 LEU HA H 1 4.11 . . 1 . . . . . . . . 4590 1 349 . 1 1 33 33 LEU CB C 13 42.36 . . 1 . . . . . . . . 4590 1 350 . 1 1 33 33 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 4590 1 351 . 1 1 33 33 LEU HB3 H 1 1.67 . . 1 . . . . . . . . 4590 1 352 . 1 1 33 33 LEU CG C 13 27.22 . . 1 . . . . . . . . 4590 1 353 . 1 1 33 33 LEU HG H 1 1.63 . . 1 . . . . . . . . 4590 1 354 . 1 1 33 33 LEU CD1 C 13 24.62 . . 1 . . . . . . . . 4590 1 355 . 1 1 33 33 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4590 1 356 . 1 1 33 33 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4590 1 357 . 1 1 33 33 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4590 1 358 . 1 1 33 33 LEU CD2 C 13 23.68 . . 1 . . . . . . . . 4590 1 359 . 1 1 33 33 LEU HD21 H 1 0.88 . . 1 . . . . . . . . 4590 1 360 . 1 1 33 33 LEU HD22 H 1 0.88 . . 1 . . . . . . . . 4590 1 361 . 1 1 33 33 LEU HD23 H 1 0.88 . . 1 . . . . . . . . 4590 1 362 . 1 1 34 34 LYS H H 1 7.89 . . 1 . . . . . . . . 4590 1 363 . 1 1 34 34 LYS N N 15 117.40 . . 1 . . . . . . . . 4590 1 364 . 1 1 34 34 LYS CA C 13 55.01 . . 1 . . . . . . . . 4590 1 365 . 1 1 34 34 LYS HA H 1 4.44 . . 1 . . . . . . . . 4590 1 366 . 1 1 34 34 LYS CB C 13 34.45 . . 1 . . . . . . . . 4590 1 367 . 1 1 34 34 LYS HB2 H 1 1.63 . . 1 . . . . . . . . 4590 1 368 . 1 1 34 34 LYS CG C 13 24.62 . . 1 . . . . . . . . 4590 1 369 . 1 1 34 34 LYS HG2 H 1 1.21 . . 2 . . . . . . . . 4590 1 370 . 1 1 34 34 LYS CD C 13 29.11 . . 1 . . . . . . . . 4590 1 371 . 1 1 34 34 LYS HD2 H 1 1.30 . . 2 . . . . . . . . 4590 1 372 . 1 1 34 34 LYS CE C 13 41.87 . . 1 . . . . . . . . 4590 1 373 . 1 1 34 34 LYS HE2 H 1 2.61 . . 2 . . . . . . . . 4590 1 374 . 1 1 34 34 LYS HE3 H 1 2.69 . . 2 . . . . . . . . 4590 1 375 . 1 1 35 35 ALA H H 1 8.39 . . 1 . . . . . . . . 4590 1 376 . 1 1 35 35 ALA N N 15 125.72 . . 1 . . . . . . . . 4590 1 377 . 1 1 35 35 ALA CA C 13 51.8 . . 1 . . . . . . . . 4590 1 378 . 1 1 35 35 ALA HA H 1 4.49 . . 1 . . . . . . . . 4590 1 379 . 1 1 35 35 ALA CB C 13 19.21 . . 1 . . . . . . . . 4590 1 380 . 1 1 35 35 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4590 1 381 . 1 1 35 35 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4590 1 382 . 1 1 35 35 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4590 1 383 . 1 1 36 36 GLY H H 1 8.17 . . 1 . . . . . . . . 4590 1 384 . 1 1 36 36 GLY N N 15 105.31 . . 1 . . . . . . . . 4590 1 385 . 1 1 36 36 GLY CA C 13 45.65 . . 1 . . . . . . . . 4590 1 386 . 1 1 36 36 GLY HA2 H 1 4.51 . . 2 . . . . . . . . 4590 1 387 . 1 1 36 36 GLY HA3 H 1 4.03 . . 2 . . . . . . . . 4590 1 388 . 1 1 37 37 VAL H H 1 8.34 . . 1 . . . . . . . . 4590 1 389 . 1 1 37 37 VAL N N 15 122.31 . . 1 . . . . . . . . 4590 1 390 . 1 1 37 37 VAL CA C 13 62.11 . . 1 . . . . . . . . 4590 1 391 . 1 1 37 37 VAL HA H 1 4.16 . . 1 . . . . . . . . 4590 1 392 . 1 1 37 37 VAL CB C 13 32.84 . . 1 . . . . . . . . 4590 1 393 . 1 1 37 37 VAL HB H 1 1.41 . . 1 . . . . . . . . 4590 1 394 . 1 1 37 37 VAL CG1 C 13 21.32 . . 1 . . . . . . . . 4590 1 395 . 1 1 37 37 VAL HG11 H 1 -0.03 . . 1 . . . . . . . . 4590 1 396 . 1 1 37 37 VAL HG12 H 1 -0.03 . . 1 . . . . . . . . 4590 1 397 . 1 1 37 37 VAL HG13 H 1 -0.03 . . 1 . . . . . . . . 4590 1 398 . 1 1 37 37 VAL CG2 C 13 21.10 . . 1 . . . . . . . . 4590 1 399 . 1 1 37 37 VAL HG21 H 1 0.63 . . 1 . . . . . . . . 4590 1 400 . 1 1 37 37 VAL HG22 H 1 0.63 . . 1 . . . . . . . . 4590 1 401 . 1 1 37 37 VAL HG23 H 1 0.63 . . 1 . . . . . . . . 4590 1 402 . 1 1 38 38 ILE H H 1 9.10 . . 1 . . . . . . . . 4590 1 403 . 1 1 38 38 ILE N N 15 126.56 . . 1 . . . . . . . . 4590 1 404 . 1 1 38 38 ILE CA C 13 60.35 . . 1 . . . . . . . . 4590 1 405 . 1 1 38 38 ILE HA H 1 4.39 . . 1 . . . . . . . . 4590 1 406 . 1 1 38 38 ILE CB C 13 37.85 . . 1 . . . . . . . . 4590 1 407 . 1 1 38 38 ILE HB H 1 1.88 . . 1 . . . . . . . . 4590 1 408 . 1 1 38 38 ILE CG1 C 13 27.69 . . 1 . . . . . . . . 4590 1 409 . 1 1 38 38 ILE HG12 H 1 1.42 . . 2 . . . . . . . . 4590 1 410 . 1 1 38 38 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4590 1 411 . 1 1 38 38 ILE CG2 C 13 18.27 . . 1 . . . . . . . . 4590 1 412 . 1 1 38 38 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4590 1 413 . 1 1 38 38 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4590 1 414 . 1 1 38 38 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4590 1 415 . 1 1 38 38 ILE CD1 C 13 13.28 . . 1 . . . . . . . . 4590 1 416 . 1 1 38 38 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 4590 1 417 . 1 1 38 38 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 4590 1 418 . 1 1 38 38 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 4590 1 419 . 1 1 39 39 PHE H H 1 9.54 . . 1 . . . . . . . . 4590 1 420 . 1 1 39 39 PHE N N 15 129.44 . . 1 . . . . . . . . 4590 1 421 . 1 1 39 39 PHE CA C 13 57.95 . . 1 . . . . . . . . 4590 1 422 . 1 1 39 39 PHE HA H 1 5.47 . . 1 . . . . . . . . 4590 1 423 . 1 1 39 39 PHE CB C 13 40.95 . . 1 . . . . . . . . 4590 1 424 . 1 1 39 39 PHE HB2 H 1 3.1 . . 1 . . . . . . . . 4590 1 425 . 1 1 39 39 PHE CD1 C 13 133.21 . . 2 . . . . . . . . 4590 1 426 . 1 1 39 39 PHE HD1 H 1 7.37 . . 2 . . . . . . . . 4590 1 427 . 1 1 39 39 PHE CE1 C 13 130.97 . . 2 . . . . . . . . 4590 1 428 . 1 1 39 39 PHE HE1 H 1 6.93 . . 2 . . . . . . . . 4590 1 429 . 1 1 39 39 PHE CZ C 13 130.22 . . 1 . . . . . . . . 4590 1 430 . 1 1 39 39 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4590 1 431 . 1 1 40 40 THR H H 1 8.61 . . 1 . . . . . . . . 4590 1 432 . 1 1 40 40 THR N N 15 118.23 . . 1 . . . . . . . . 4590 1 433 . 1 1 40 40 THR CA C 13 62.35 . . 1 . . . . . . . . 4590 1 434 . 1 1 40 40 THR HA H 1 5.35 . . 1 . . . . . . . . 4590 1 435 . 1 1 40 40 THR CB C 13 69.76 . . 1 . . . . . . . . 4590 1 436 . 1 1 40 40 THR HB H 1 4.1 . . 1 . . . . . . . . 4590 1 437 . 1 1 40 40 THR CG2 C 13 21.55 . . 1 . . . . . . . . 4590 1 438 . 1 1 40 40 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4590 1 439 . 1 1 40 40 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4590 1 440 . 1 1 40 40 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4590 1 441 . 1 1 41 41 THR H H 1 8.88 . . 1 . . . . . . . . 4590 1 442 . 1 1 41 41 THR N N 15 117.04 . . 1 . . . . . . . . 4590 1 443 . 1 1 41 41 THR CA C 13 59.82 . . 1 . . . . . . . . 4590 1 444 . 1 1 41 41 THR HA H 1 5.56 . . 1 . . . . . . . . 4590 1 445 . 1 1 41 41 THR CB C 13 71.66 . . 1 . . . . . . . . 4590 1 446 . 1 1 41 41 THR HB H 1 4.77 . . 1 . . . . . . . . 4590 1 447 . 1 1 41 41 THR CG2 C 13 21.32 . . 1 . . . . . . . . 4590 1 448 . 1 1 41 41 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4590 1 449 . 1 1 41 41 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4590 1 450 . 1 1 41 41 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4590 1 451 . 1 1 42 42 LYS H H 1 8.67 . . 1 . . . . . . . . 4590 1 452 . 1 1 42 42 LYS N N 15 121.53 . . 1 . . . . . . . . 4590 1 453 . 1 1 42 42 LYS CA C 13 59.14 . . 1 . . . . . . . . 4590 1 454 . 1 1 42 42 LYS HA H 1 4.02 . . 1 . . . . . . . . 4590 1 455 . 1 1 42 42 LYS CB C 13 32.85 . . 1 . . . . . . . . 4590 1 456 . 1 1 42 42 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 4590 1 457 . 1 1 42 42 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 4590 1 458 . 1 1 42 42 LYS CG C 13 25.8 . . 1 . . . . . . . . 4590 1 459 . 1 1 42 42 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4590 1 460 . 1 1 42 42 LYS CD C 13 29.35 . . 1 . . . . . . . . 4590 1 461 . 1 1 42 42 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 462 . 1 1 42 42 LYS CE C 13 42.10 . . 1 . . . . . . . . 4590 1 463 . 1 1 42 42 LYS HE2 H 1 2.97 . . 2 . . . . . . . . 4590 1 464 . 1 1 43 43 LYS H H 1 8.07 . . 1 . . . . . . . . 4590 1 465 . 1 1 43 43 LYS N N 15 115.89 . . 1 . . . . . . . . 4590 1 466 . 1 1 43 43 LYS CA C 13 56.14 . . 1 . . . . . . . . 4590 1 467 . 1 1 43 43 LYS HA H 1 4.39 . . 1 . . . . . . . . 4590 1 468 . 1 1 43 43 LYS CB C 13 31.93 . . 1 . . . . . . . . 4590 1 469 . 1 1 43 43 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4590 1 470 . 1 1 43 43 LYS HB3 H 1 2.05 . . 1 . . . . . . . . 4590 1 471 . 1 1 43 43 LYS CG C 13 25.57 . . 1 . . . . . . . . 4590 1 472 . 1 1 43 43 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4590 1 473 . 1 1 43 43 LYS CD C 13 28.88 . . 1 . . . . . . . . 4590 1 474 . 1 1 43 43 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 475 . 1 1 43 43 LYS CE C 13 41.87 . . 1 . . . . . . . . 4590 1 476 . 1 1 43 43 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 477 . 1 1 44 44 GLY H H 1 8.14 . . 1 . . . . . . . . 4590 1 478 . 1 1 44 44 GLY N N 15 107.91 . . 1 . . . . . . . . 4590 1 479 . 1 1 44 44 GLY CA C 13 45.51 . . 1 . . . . . . . . 4590 1 480 . 1 1 44 44 GLY HA2 H 1 4.25 . . 2 . . . . . . . . 4590 1 481 . 1 1 44 44 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 4590 1 482 . 1 1 45 45 GLN H H 1 7.26 . . 1 . . . . . . . . 4590 1 483 . 1 1 45 45 GLN N N 15 118.92 . . 1 . . . . . . . . 4590 1 484 . 1 1 45 45 GLN CA C 13 55.6 . . 1 . . . . . . . . 4590 1 485 . 1 1 45 45 GLN HA H 1 4.44 . . 1 . . . . . . . . 4590 1 486 . 1 1 45 45 GLN CB C 13 29.52 . . 1 . . . . . . . . 4590 1 487 . 1 1 45 45 GLN HB2 H 1 2 . . 1 . . . . . . . . 4590 1 488 . 1 1 45 45 GLN HB3 H 1 2.16 . . 1 . . . . . . . . 4590 1 489 . 1 1 45 45 GLN CG C 13 34.07 . . 1 . . . . . . . . 4590 1 490 . 1 1 45 45 GLN HG2 H 1 2.36 . . 2 . . . . . . . . 4590 1 491 . 1 1 45 45 GLN NE2 N 15 112.47 . . 1 . . . . . . . . 4590 1 492 . 1 1 45 45 GLN HE21 H 1 7.63 . . 2 . . . . . . . . 4590 1 493 . 1 1 45 45 GLN HE22 H 1 6.89 . . 2 . . . . . . . . 4590 1 494 . 1 1 46 46 GLN H H 1 8.65 . . 1 . . . . . . . . 4590 1 495 . 1 1 46 46 GLN N N 15 121.35 . . 1 . . . . . . . . 4590 1 496 . 1 1 46 46 GLN CA C 13 54.88 . . 1 . . . . . . . . 4590 1 497 . 1 1 46 46 GLN HA H 1 5.66 . . 1 . . . . . . . . 4590 1 498 . 1 1 46 46 GLN CB C 13 31.24 . . 1 . . . . . . . . 4590 1 499 . 1 1 46 46 GLN HB2 H 1 1.76 . . 1 . . . . . . . . 4590 1 500 . 1 1 46 46 GLN HB3 H 1 2.01 . . 1 . . . . . . . . 4590 1 501 . 1 1 46 46 GLN CG C 13 34.31 . . 1 . . . . . . . . 4590 1 502 . 1 1 46 46 GLN HG2 H 1 2.36 . . 2 . . . . . . . . 4590 1 503 . 1 1 46 46 GLN NE2 N 15 111.12 . . 1 . . . . . . . . 4590 1 504 . 1 1 46 46 GLN HE21 H 1 7.31 . . 2 . . . . . . . . 4590 1 505 . 1 1 46 46 GLN HE22 H 1 6.66 . . 2 . . . . . . . . 4590 1 506 . 1 1 47 47 SER H H 1 8.93 . . 1 . . . . . . . . 4590 1 507 . 1 1 47 47 SER N N 15 117.73 . . 1 . . . . . . . . 4590 1 508 . 1 1 47 47 SER CA C 13 57.93 . . 1 . . . . . . . . 4590 1 509 . 1 1 47 47 SER HA H 1 4.74 . . 1 . . . . . . . . 4590 1 510 . 1 1 47 47 SER CB C 13 66.93 . . 1 . . . . . . . . 4590 1 511 . 1 1 47 47 SER HB2 H 1 3.69 . . 1 . . . . . . . . 4590 1 512 . 1 1 47 47 SER HB3 H 1 3.97 . . 1 . . . . . . . . 4590 1 513 . 1 1 48 48 CYS H H 1 9.25 . . 1 . . . . . . . . 4590 1 514 . 1 1 48 48 CYS N N 15 123.15 . . 1 . . . . . . . . 4590 1 515 . 1 1 48 48 CYS CA C 13 55.11 . . 1 . . . . . . . . 4590 1 516 . 1 1 48 48 CYS HA H 1 5.77 . . 1 . . . . . . . . 4590 1 517 . 1 1 48 48 CYS CB C 13 46.08 . . 1 . . . . . . . . 4590 1 518 . 1 1 48 48 CYS HB2 H 1 3.41 . . 1 . . . . . . . . 4590 1 519 . 1 1 48 48 CYS HB3 H 1 3.59 . . 1 . . . . . . . . 4590 1 520 . 1 1 49 49 GLY H H 1 9.99 . . 1 . . . . . . . . 4590 1 521 . 1 1 49 49 GLY N N 15 111.97 . . 1 . . . . . . . . 4590 1 522 . 1 1 49 49 GLY CA C 13 43.26 . . 1 . . . . . . . . 4590 1 523 . 1 1 49 49 GLY HA2 H 1 4.91 . . 2 . . . . . . . . 4590 1 524 . 1 1 49 49 GLY HA3 H 1 3.13 . . 2 . . . . . . . . 4590 1 525 . 1 1 50 50 ASP H H 1 8.22 . . 1 . . . . . . . . 4590 1 526 . 1 1 50 50 ASP N N 15 123.49 . . 1 . . . . . . . . 4590 1 527 . 1 1 50 50 ASP CA C 13 50.37 . . 1 . . . . . . . . 4590 1 528 . 1 1 50 50 ASP HA H 1 3.59 . . 1 . . . . . . . . 4590 1 529 . 1 1 50 50 ASP CB C 13 41.87 . . 1 . . . . . . . . 4590 1 530 . 1 1 50 50 ASP HB2 H 1 1.62 . . 1 . . . . . . . . 4590 1 531 . 1 1 50 50 ASP HB3 H 1 2.42 . . 1 . . . . . . . . 4590 1 532 . 1 1 51 51 PRO CA C 13 63.62 . . 1 . . . . . . . . 4590 1 533 . 1 1 51 51 PRO HA H 1 3.88 . . 1 . . . . . . . . 4590 1 534 . 1 1 51 51 PRO CB C 13 31.96 . . 1 . . . . . . . . 4590 1 535 . 1 1 51 51 PRO HB2 H 1 1.86 . . 1 . . . . . . . . 4590 1 536 . 1 1 51 51 PRO HB3 H 1 2 . . 1 . . . . . . . . 4590 1 537 . 1 1 51 51 PRO CG C 13 26.99 . . 1 . . . . . . . . 4590 1 538 . 1 1 51 51 PRO HG2 H 1 1.83 . . 2 . . . . . . . . 4590 1 539 . 1 1 51 51 PRO CD C 13 51.32 . . 1 . . . . . . . . 4590 1 540 . 1 1 51 51 PRO HD2 H 1 3.87 . . 2 . . . . . . . . 4590 1 541 . 1 1 52 52 LYS H H 1 8.06 . . 1 . . . . . . . . 4590 1 542 . 1 1 52 52 LYS N N 15 116.44 . . 1 . . . . . . . . 4590 1 543 . 1 1 52 52 LYS CA C 13 57.01 . . 1 . . . . . . . . 4590 1 544 . 1 1 52 52 LYS HA H 1 3.97 . . 1 . . . . . . . . 4590 1 545 . 1 1 52 52 LYS CB C 13 32.17 . . 1 . . . . . . . . 4590 1 546 . 1 1 52 52 LYS HB2 H 1 1.72 . . 1 . . . . . . . . 4590 1 547 . 1 1 52 52 LYS CG C 13 25.33 . . 1 . . . . . . . . 4590 1 548 . 1 1 52 52 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 4590 1 549 . 1 1 52 52 LYS CD C 13 28.88 . . 1 . . . . . . . . 4590 1 550 . 1 1 52 52 LYS HD2 H 1 1.98 . . 2 . . . . . . . . 4590 1 551 . 1 1 52 52 LYS CE C 13 41.87 . . 1 . . . . . . . . 4590 1 552 . 1 1 52 52 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 553 . 1 1 53 53 GLN H H 1 7.82 . . 1 . . . . . . . . 4590 1 554 . 1 1 53 53 GLN N N 15 118.52 . . 1 . . . . . . . . 4590 1 555 . 1 1 53 53 GLN CA C 13 55.11 . . 1 . . . . . . . . 4590 1 556 . 1 1 53 53 GLN HA H 1 4.16 . . 1 . . . . . . . . 4590 1 557 . 1 1 53 53 GLN CB C 13 28.65 . . 1 . . . . . . . . 4590 1 558 . 1 1 53 53 GLN HB2 H 1 1.67 . . 1 . . . . . . . . 4590 1 559 . 1 1 53 53 GLN HB3 H 1 1.81 . . 1 . . . . . . . . 4590 1 560 . 1 1 53 53 GLN CG C 13 34.31 . . 1 . . . . . . . . 4590 1 561 . 1 1 53 53 GLN HG2 H 1 2.36 . . 2 . . . . . . . . 4590 1 562 . 1 1 53 53 GLN NE2 N 15 112.47 . . 1 . . . . . . . . 4590 1 563 . 1 1 53 53 GLN HE21 H 1 7.60 . . 2 . . . . . . . . 4590 1 564 . 1 1 53 53 GLN HE22 H 1 7.09 . . 2 . . . . . . . . 4590 1 565 . 1 1 54 54 GLU H H 1 8.79 . . 1 . . . . . . . . 4590 1 566 . 1 1 54 54 GLU N N 15 125.28 . . 1 . . . . . . . . 4590 1 567 . 1 1 54 54 GLU CA C 13 60.32 . . 1 . . . . . . . . 4590 1 568 . 1 1 54 54 GLU HA H 1 3.8 . . 1 . . . . . . . . 4590 1 569 . 1 1 54 54 GLU CB C 13 28.67 . . 1 . . . . . . . . 4590 1 570 . 1 1 54 54 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 4590 1 571 . 1 1 54 54 GLU CG C 13 35.96 . . 1 . . . . . . . . 4590 1 572 . 1 1 54 54 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 4590 1 573 . 1 1 54 54 GLU HG3 H 1 2.45 . . 2 . . . . . . . . 4590 1 574 . 1 1 55 55 TRP H H 1 8.16 . . 1 . . . . . . . . 4590 1 575 . 1 1 55 55 TRP N N 15 116.19 . . 1 . . . . . . . . 4590 1 576 . 1 1 55 55 TRP CA C 13 59.36 . . 1 . . . . . . . . 4590 1 577 . 1 1 55 55 TRP HA H 1 4.11 . . 1 . . . . . . . . 4590 1 578 . 1 1 55 55 TRP CB C 13 26.74 . . 1 . . . . . . . . 4590 1 579 . 1 1 55 55 TRP HB2 H 1 2.9 . . 1 . . . . . . . . 4590 1 580 . 1 1 55 55 TRP HB3 H 1 3.08 . . 1 . . . . . . . . 4590 1 581 . 1 1 55 55 TRP CD1 C 13 122.76 . . 1 . . . . . . . . 4590 1 582 . 1 1 55 55 TRP HD1 H 1 6.79 . . 1 . . . . . . . . 4590 1 583 . 1 1 55 55 TRP NE1 N 15 129.78 . . 1 . . . . . . . . 4590 1 584 . 1 1 55 55 TRP HE1 H 1 10.16 . . 1 . . . . . . . . 4590 1 585 . 1 1 55 55 TRP CZ2 C 13 115.3 . . 1 . . . . . . . . 4590 1 586 . 1 1 55 55 TRP HZ2 H 1 7.35 . . 1 . . . . . . . . 4590 1 587 . 1 1 55 55 TRP CH2 C 13 122.76 . . 1 . . . . . . . . 4590 1 588 . 1 1 55 55 TRP HH2 H 1 6.79 . . 1 . . . . . . . . 4590 1 589 . 1 1 55 55 TRP CZ3 C 13 121.27 . . 1 . . . . . . . . 4590 1 590 . 1 1 55 55 TRP HZ3 H 1 6.20 . . 1 . . . . . . . . 4590 1 591 . 1 1 55 55 TRP CE3 C 13 122.02 . . 1 . . . . . . . . 4590 1 592 . 1 1 55 55 TRP HE3 H 1 5.80 . . 1 . . . . . . . . 4590 1 593 . 1 1 56 56 VAL H H 1 5.56 . . 1 . . . . . . . . 4590 1 594 . 1 1 56 56 VAL N N 15 122.36 . . 1 . . . . . . . . 4590 1 595 . 1 1 56 56 VAL CA C 13 65.57 . . 1 . . . . . . . . 4590 1 596 . 1 1 56 56 VAL HA H 1 2.7 . . 1 . . . . . . . . 4590 1 597 . 1 1 56 56 VAL CB C 13 30.96 . . 1 . . . . . . . . 4590 1 598 . 1 1 56 56 VAL HB H 1 1.71 . . 1 . . . . . . . . 4590 1 599 . 1 1 56 56 VAL CG1 C 13 20.37 . . 1 . . . . . . . . 4590 1 600 . 1 1 56 56 VAL HG11 H 1 -0.83 . . 1 . . . . . . . . 4590 1 601 . 1 1 56 56 VAL HG12 H 1 -0.83 . . 1 . . . . . . . . 4590 1 602 . 1 1 56 56 VAL HG13 H 1 -0.83 . . 1 . . . . . . . . 4590 1 603 . 1 1 56 56 VAL CG2 C 13 21.32 . . 1 . . . . . . . . 4590 1 604 . 1 1 56 56 VAL HG21 H 1 0.44 . . 1 . . . . . . . . 4590 1 605 . 1 1 56 56 VAL HG22 H 1 0.44 . . 1 . . . . . . . . 4590 1 606 . 1 1 56 56 VAL HG23 H 1 0.44 . . 1 . . . . . . . . 4590 1 607 . 1 1 57 57 GLN H H 1 6.95 . . 1 . . . . . . . . 4590 1 608 . 1 1 57 57 GLN N N 15 116.72 . . 1 . . . . . . . . 4590 1 609 . 1 1 57 57 GLN CA C 13 58.41 . . 1 . . . . . . . . 4590 1 610 . 1 1 57 57 GLN HA H 1 3.86 . . 1 . . . . . . . . 4590 1 611 . 1 1 57 57 GLN CB C 13 27.76 . . 1 . . . . . . . . 4590 1 612 . 1 1 57 57 GLN HB2 H 1 2.05 . . 1 . . . . . . . . 4590 1 613 . 1 1 57 57 GLN CG C 13 32.89 . . 1 . . . . . . . . 4590 1 614 . 1 1 57 57 GLN HG2 H 1 2.27 . . 2 . . . . . . . . 4590 1 615 . 1 1 57 57 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4590 1 616 . 1 1 57 57 GLN NE2 N 15 111.12 . . 1 . . . . . . . . 4590 1 617 . 1 1 57 57 GLN HE21 H 1 7.56 . . 2 . . . . . . . . 4590 1 618 . 1 1 57 57 GLN HE22 H 1 6.70 . . 2 . . . . . . . . 4590 1 619 . 1 1 58 58 ARG H H 1 8.48 . . 1 . . . . . . . . 4590 1 620 . 1 1 58 58 ARG N N 15 120.62 . . 1 . . . . . . . . 4590 1 621 . 1 1 58 58 ARG CA C 13 59.09 . . 1 . . . . . . . . 4590 1 622 . 1 1 58 58 ARG HA H 1 4.06 . . 1 . . . . . . . . 4590 1 623 . 1 1 58 58 ARG CB C 13 30.07 . . 1 . . . . . . . . 4590 1 624 . 1 1 58 58 ARG HB2 H 1 2.05 . . 1 . . . . . . . . 4590 1 625 . 1 1 58 58 ARG CG C 13 26.99 . . 1 . . . . . . . . 4590 1 626 . 1 1 58 58 ARG HG2 H 1 1.8 . . 2 . . . . . . . . 4590 1 627 . 1 1 58 58 ARG HG3 H 1 2.03 . . 2 . . . . . . . . 4590 1 628 . 1 1 58 58 ARG CD C 13 43.29 . . 1 . . . . . . . . 4590 1 629 . 1 1 58 58 ARG HD2 H 1 3.34 . . 2 . . . . . . . . 4590 1 630 . 1 1 59 59 TYR H H 1 8.84 . . 1 . . . . . . . . 4590 1 631 . 1 1 59 59 TYR N N 15 120.21 . . 1 . . . . . . . . 4590 1 632 . 1 1 59 59 TYR CA C 13 59.41 . . 1 . . . . . . . . 4590 1 633 . 1 1 59 59 TYR HA H 1 4.44 . . 1 . . . . . . . . 4590 1 634 . 1 1 59 59 TYR CB C 13 37.11 . . 1 . . . . . . . . 4590 1 635 . 1 1 59 59 TYR HB2 H 1 2.89 . . 1 . . . . . . . . 4590 1 636 . 1 1 59 59 TYR HB3 H 1 3.48 . . 1 . . . . . . . . 4590 1 637 . 1 1 59 59 TYR CD1 C 13 130.97 . . 2 . . . . . . . . 4590 1 638 . 1 1 59 59 TYR HD1 H 1 6.74 . . 2 . . . . . . . . 4590 1 639 . 1 1 59 59 TYR CE1 C 13 116.79 . . 2 . . . . . . . . 4590 1 640 . 1 1 59 59 TYR HE1 H 1 6.79 . . 2 . . . . . . . . 4590 1 641 . 1 1 60 60 MET H H 1 7.87 . . 1 . . . . . . . . 4590 1 642 . 1 1 60 60 MET N N 15 117.10 . . 1 . . . . . . . . 4590 1 643 . 1 1 60 60 MET CA C 13 60.39 . . 1 . . . . . . . . 4590 1 644 . 1 1 60 60 MET HA H 1 3.64 . . 1 . . . . . . . . 4590 1 645 . 1 1 60 60 MET CB C 13 34.4 . . 1 . . . . . . . . 4590 1 646 . 1 1 60 60 MET HB2 H 1 1.68 . . 1 . . . . . . . . 4590 1 647 . 1 1 60 60 MET HB3 H 1 2.05 . . 1 . . . . . . . . 4590 1 648 . 1 1 60 60 MET CG C 13 30.29 . . 1 . . . . . . . . 4590 1 649 . 1 1 60 60 MET HG2 H 1 2.27 . . 2 . . . . . . . . 4590 1 650 . 1 1 60 60 MET HG3 H 1 0.55 . . 2 . . . . . . . . 4590 1 651 . 1 1 60 60 MET CE C 13 53.60 . . 1 . . . . . . . . 4590 1 652 . 1 1 60 60 MET HE1 H 1 1.82 . . 1 . . . . . . . . 4590 1 653 . 1 1 60 60 MET HE2 H 1 1.82 . . 1 . . . . . . . . 4590 1 654 . 1 1 60 60 MET HE3 H 1 1.82 . . 1 . . . . . . . . 4590 1 655 . 1 1 61 61 LYS H H 1 7.63 . . 1 . . . . . . . . 4590 1 656 . 1 1 61 61 LYS N N 15 117.67 . . 1 . . . . . . . . 4590 1 657 . 1 1 61 61 LYS CA C 13 59.34 . . 1 . . . . . . . . 4590 1 658 . 1 1 61 61 LYS HA H 1 4.11 . . 1 . . . . . . . . 4590 1 659 . 1 1 61 61 LYS CB C 13 32.19 . . 1 . . . . . . . . 4590 1 660 . 1 1 61 61 LYS HB2 H 1 2 . . 1 . . . . . . . . 4590 1 661 . 1 1 61 61 LYS CG C 13 25.1 . . 1 . . . . . . . . 4590 1 662 . 1 1 61 61 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4590 1 663 . 1 1 61 61 LYS CD C 13 29.35 . . 1 . . . . . . . . 4590 1 664 . 1 1 61 61 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 665 . 1 1 61 61 LYS CE C 13 42.34 . . 1 . . . . . . . . 4590 1 666 . 1 1 61 61 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 667 . 1 1 62 62 ASN H H 1 8.50 . . 1 . . . . . . . . 4590 1 668 . 1 1 62 62 ASN N N 15 119.27 . . 1 . . . . . . . . 4590 1 669 . 1 1 62 62 ASN CA C 13 55.52 . . 1 . . . . . . . . 4590 1 670 . 1 1 62 62 ASN HA H 1 4.53 . . 1 . . . . . . . . 4590 1 671 . 1 1 62 62 ASN CB C 13 37.37 . . 1 . . . . . . . . 4590 1 672 . 1 1 62 62 ASN HB2 H 1 2.82 . . 1 . . . . . . . . 4590 1 673 . 1 1 62 62 ASN HB3 H 1 3.05 . . 1 . . . . . . . . 4590 1 674 . 1 1 62 62 ASN ND2 N 15 112.13 . . 1 . . . . . . . . 4590 1 675 . 1 1 62 62 ASN HD21 H 1 8.81 . . 2 . . . . . . . . 4590 1 676 . 1 1 62 62 ASN HD22 H 1 6.60 . . 2 . . . . . . . . 4590 1 677 . 1 1 63 63 LEU H H 1 8.50 . . 1 . . . . . . . . 4590 1 678 . 1 1 63 63 LEU N N 15 122.99 . . 1 . . . . . . . . 4590 1 679 . 1 1 63 63 LEU CA C 13 58.3 . . 1 . . . . . . . . 4590 1 680 . 1 1 63 63 LEU HA H 1 4.2 . . 1 . . . . . . . . 4590 1 681 . 1 1 63 63 LEU CB C 13 41.63 . . 1 . . . . . . . . 4590 1 682 . 1 1 63 63 LEU HB2 H 1 1.77 . . 1 . . . . . . . . 4590 1 683 . 1 1 63 63 LEU HB3 H 1 2.08 . . 1 . . . . . . . . 4590 1 684 . 1 1 63 63 LEU CG C 13 27.69 . . 1 . . . . . . . . 4590 1 685 . 1 1 63 63 LEU HG H 1 1.98 . . 1 . . . . . . . . 4590 1 686 . 1 1 63 63 LEU CD1 C 13 23.44 . . 1 . . . . . . . . 4590 1 687 . 1 1 63 63 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 4590 1 688 . 1 1 63 63 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 4590 1 689 . 1 1 63 63 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 4590 1 690 . 1 1 63 63 LEU CD2 C 13 26.75 . . 1 . . . . . . . . 4590 1 691 . 1 1 63 63 LEU HD21 H 1 1.09 . . 1 . . . . . . . . 4590 1 692 . 1 1 63 63 LEU HD22 H 1 1.09 . . 1 . . . . . . . . 4590 1 693 . 1 1 63 63 LEU HD23 H 1 1.09 . . 1 . . . . . . . . 4590 1 694 . 1 1 64 64 ASP H H 1 8.82 . . 1 . . . . . . . . 4590 1 695 . 1 1 64 64 ASP N N 15 121.48 . . 1 . . . . . . . . 4590 1 696 . 1 1 64 64 ASP CA C 13 57.05 . . 1 . . . . . . . . 4590 1 697 . 1 1 64 64 ASP HA H 1 4.55 . . 1 . . . . . . . . 4590 1 698 . 1 1 64 64 ASP CB C 13 39.92 . . 1 . . . . . . . . 4590 1 699 . 1 1 64 64 ASP HB2 H 1 2.75 . . 1 . . . . . . . . 4590 1 700 . 1 1 64 64 ASP HB3 H 1 2.94 . . 1 . . . . . . . . 4590 1 701 . 1 1 65 65 ALA H H 1 7.84 . . 1 . . . . . . . . 4590 1 702 . 1 1 65 65 ALA N N 15 121.38 . . 1 . . . . . . . . 4590 1 703 . 1 1 65 65 ALA CA C 13 54.14 . . 1 . . . . . . . . 4590 1 704 . 1 1 65 65 ALA HA H 1 4.25 . . 1 . . . . . . . . 4590 1 705 . 1 1 65 65 ALA CB C 13 18.5 . . 1 . . . . . . . . 4590 1 706 . 1 1 65 65 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 4590 1 707 . 1 1 65 65 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 4590 1 708 . 1 1 65 65 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 4590 1 709 . 1 1 66 66 LYS H H 1 7.62 . . 1 . . . . . . . . 4590 1 710 . 1 1 66 66 LYS N N 15 117.40 . . 1 . . . . . . . . 4590 1 711 . 1 1 66 66 LYS CA C 13 57.05 . . 1 . . . . . . . . 4590 1 712 . 1 1 66 66 LYS HA H 1 4.25 . . 1 . . . . . . . . 4590 1 713 . 1 1 66 66 LYS CB C 13 32.11 . . 1 . . . . . . . . 4590 1 714 . 1 1 66 66 LYS HB2 H 1 2 . . 1 . . . . . . . . 4590 1 715 . 1 1 66 66 LYS CG C 13 25.33 . . 1 . . . . . . . . 4590 1 716 . 1 1 66 66 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 4590 1 717 . 1 1 66 66 LYS CD C 13 29.35 . . 1 . . . . . . . . 4590 1 718 . 1 1 66 66 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 719 . 1 1 66 66 LYS CE C 13 42.1 . . 1 . . . . . . . . 4590 1 720 . 1 1 66 66 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 721 . 1 1 67 67 GLN H H 1 7.86 . . 1 . . . . . . . . 4590 1 722 . 1 1 67 67 GLN N N 15 118.49 . . 1 . . . . . . . . 4590 1 723 . 1 1 67 67 GLN CA C 13 56.54 . . 1 . . . . . . . . 4590 1 724 . 1 1 67 67 GLN HA H 1 4.34 . . 1 . . . . . . . . 4590 1 725 . 1 1 67 67 GLN CB C 13 29.14 . . 1 . . . . . . . . 4590 1 726 . 1 1 67 67 GLN HB2 H 1 2.19 . . 1 . . . . . . . . 4590 1 727 . 1 1 67 67 GLN CG C 13 33.84 . . 1 . . . . . . . . 4590 1 728 . 1 1 67 67 GLN HG2 H 1 2.5 . . 1 . . . . . . . . 4590 1 729 . 1 1 67 67 GLN NE2 N 15 111.46 . . 1 . . . . . . . . 4590 1 730 . 1 1 67 67 GLN HE21 H 1 7.51 . . 1 . . . . . . . . 4590 1 731 . 1 1 67 67 GLN HE22 H 1 6.86 . . 1 . . . . . . . . 4590 1 732 . 1 1 68 68 LYS H H 1 8.03 . . 1 . . . . . . . . 4590 1 733 . 1 1 68 68 LYS N N 15 121.07 . . 1 . . . . . . . . 4590 1 734 . 1 1 68 68 LYS CA C 13 56.76 . . 1 . . . . . . . . 4590 1 735 . 1 1 68 68 LYS HA H 1 4.3 . . 1 . . . . . . . . 4590 1 736 . 1 1 68 68 LYS CB C 13 32.71 . . 1 . . . . . . . . 4590 1 737 . 1 1 68 68 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 4590 1 738 . 1 1 68 68 LYS CG C 13 24.86 . . 1 . . . . . . . . 4590 1 739 . 1 1 68 68 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4590 1 740 . 1 1 68 68 LYS CD C 13 29.11 . . 1 . . . . . . . . 4590 1 741 . 1 1 68 68 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 742 . 1 1 68 68 LYS CE C 13 41.89 . . 1 . . . . . . . . 4590 1 743 . 1 1 68 68 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 744 . 1 1 69 69 LYS H H 1 8.15 . . 1 . . . . . . . . 4590 1 745 . 1 1 69 69 LYS N N 15 122.04 . . 1 . . . . . . . . 4590 1 746 . 1 1 69 69 LYS CA C 13 56.08 . . 1 . . . . . . . . 4590 1 747 . 1 1 69 69 LYS HA H 1 4.32 . . 1 . . . . . . . . 4590 1 748 . 1 1 69 69 LYS CB C 13 33.12 . . 1 . . . . . . . . 4590 1 749 . 1 1 69 69 LYS HB2 H 1 1.83 . . 1 . . . . . . . . 4590 1 750 . 1 1 69 69 LYS CG C 13 24.86 . . 1 . . . . . . . . 4590 1 751 . 1 1 69 69 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4590 1 752 . 1 1 69 69 LYS CD C 13 29.11 . . 1 . . . . . . . . 4590 1 753 . 1 1 69 69 LYS HD2 H 1 1.70 . . 2 . . . . . . . . 4590 1 754 . 1 1 69 69 LYS CE C 13 41.89 . . 1 . . . . . . . . 4590 1 755 . 1 1 69 69 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4590 1 756 . 1 1 70 70 ALA H H 1 8.27 . . 1 . . . . . . . . 4590 1 757 . 1 1 70 70 ALA N N 15 125.30 . . 1 . . . . . . . . 4590 1 758 . 1 1 70 70 ALA CA C 13 52.3 . . 1 . . . . . . . . 4590 1 759 . 1 1 70 70 ALA HA H 1 4.39 . . 1 . . . . . . . . 4590 1 760 . 1 1 70 70 ALA CB C 13 19.68 . . 1 . . . . . . . . 4590 1 761 . 1 1 70 70 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4590 1 762 . 1 1 70 70 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4590 1 763 . 1 1 70 70 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4590 1 764 . 1 1 71 71 SER H H 1 8.28 . . 1 . . . . . . . . 4590 1 765 . 1 1 71 71 SER N N 15 116.88 . . 1 . . . . . . . . 4590 1 766 . 1 1 71 71 SER CA C 13 56.33 . . 1 . . . . . . . . 4590 1 767 . 1 1 71 71 SER HA H 1 4.78 . . 1 . . . . . . . . 4590 1 768 . 1 1 71 71 SER CB C 13 63.14 . . 1 . . . . . . . . 4590 1 769 . 1 1 71 71 SER HB2 H 1 3.88 . . 1 . . . . . . . . 4590 1 770 . 1 1 72 72 PRO CA C 13 63.62 . . 1 . . . . . . . . 4590 1 771 . 1 1 72 72 PRO HA H 1 4.44 . . 1 . . . . . . . . 4590 1 772 . 1 1 72 72 PRO CB C 13 31.96 . . 1 . . . . . . . . 4590 1 773 . 1 1 72 72 PRO HB2 H 1 1.81 . . 1 . . . . . . . . 4590 1 774 . 1 1 72 72 PRO HB3 H 1 2.30 . . 1 . . . . . . . . 4590 1 775 . 1 1 72 72 PRO CG C 13 27.46 . . 1 . . . . . . . . 4590 1 776 . 1 1 72 72 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 4590 1 777 . 1 1 72 72 PRO CD C 13 50.84 . . 1 . . . . . . . . 4590 1 778 . 1 1 72 72 PRO HD2 H 1 3.81 . . 2 . . . . . . . . 4590 1 779 . 1 1 73 73 ARG H H 1 7.90 . . 1 . . . . . . . . 4590 1 780 . 1 1 73 73 ARG N N 15 125.62 . . 1 . . . . . . . . 4590 1 781 . 1 1 73 73 ARG CA C 13 57.46 . . 1 . . . . . . . . 4590 1 782 . 1 1 73 73 ARG HA H 1 4.19 . . 1 . . . . . . . . 4590 1 783 . 1 1 73 73 ARG CB C 13 31.73 . . 1 . . . . . . . . 4590 1 784 . 1 1 73 73 ARG HB2 H 1 1.72 . . 1 . . . . . . . . 4590 1 785 . 1 1 73 73 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4590 1 786 . 1 1 73 73 ARG CG C 13 26.77 . . 1 . . . . . . . . 4590 1 787 . 1 1 73 73 ARG HG2 H 1 1.63 . . 2 . . . . . . . . 4590 1 788 . 1 1 73 73 ARG CD C 13 43.78 . . 1 . . . . . . . . 4590 1 789 . 1 1 73 73 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 4590 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4590 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4590 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 VAL H . . . . 1 1 2 2 VAL HA . . . 8.95 . . . . . . . . . . . . . . 4590 1 2 3JHNHA . 1 1 3 3 ILE H . . . . 1 1 3 3 ILE HA . . . 8.78 . . . . . . . . . . . . . . 4590 1 3 3JHNHA . 1 1 5 5 SER H . . . . 1 1 5 5 SER HA . . . 8.07 . . . . . . . . . . . . . . 4590 1 4 3JHNHA . 1 1 9 9 MET H . . . . 1 1 9 9 MET HA . . . 9.90 . . . . . . . . . . . . . . 4590 1 5 3JHNHA . 1 1 10 10 PHE H . . . . 1 1 10 10 PHE HA . . . 6.41 . . . . . . . . . . . . . . 4590 1 6 3JHNHA . 1 1 11 11 PHE H . . . . 1 1 11 11 PHE HA . . . 8.35 . . . . . . . . . . . . . . 4590 1 7 3JHNHA . 1 1 12 12 VAL H . . . . 1 1 12 12 VAL HA . . . 5.50 . . . . . . . . . . . . . . 4590 1 8 3JHNHA . 1 1 13 13 SER H . . . . 1 1 13 13 SER HA . . . 7.71 . . . . . . . . . . . . . . 4590 1 9 3JHNHA . 1 1 14 14 LYS H . . . . 1 1 14 14 LYS HA . . . 8.89 . . . . . . . . . . . . . . 4590 1 10 3JHNHA . 1 1 15 15 ARG H . . . . 1 1 15 15 ARG HA . . . 2.85 . . . . . . . . . . . . . . 4590 1 11 3JHNHA . 1 1 18 18 GLU H . . . . 1 1 18 18 GLU HA . . . 2.90 . . . . . . . . . . . . . . 4590 1 12 3JHNHA . 1 1 19 19 ASN H . . . . 1 1 19 19 ASN HA . . . 6.33 . . . . . . . . . . . . . . 4590 1 13 3JHNHA . 1 1 20 20 ARG H . . . . 1 1 20 20 ARG HA . . . 9.46 . . . . . . . . . . . . . . 4590 1 14 3JHNHA . 1 1 21 21 VAL H . . . . 1 1 21 21 VAL HA . . . 8.64 . . . . . . . . . . . . . . 4590 1 15 3JHNHA . 1 1 22 22 VAL H . . . . 1 1 22 22 VAL HA . . . 11.87 . . . . . . . . . . . . . . 4590 1 16 3JHNHA . 1 1 23 23 SER H . . . . 1 1 23 23 SER HA . . . 7.00 . . . . . . . . . . . . . . 4590 1 17 3JHNHA . 1 1 24 24 TYR H . . . . 1 1 24 24 TYR HA . . . 9.08 . . . . . . . . . . . . . . 4590 1 18 3JHNHA . 1 1 26 26 LEU H . . . . 1 1 26 26 LEU HA . . . 7.79 . . . . . . . . . . . . . . 4590 1 19 3JHNHA . 1 1 27 27 SER H . . . . 1 1 27 27 SER HA . . . 8.73 . . . . . . . . . . . . . . 4590 1 20 3JHNHA . 1 1 28 28 SER H . . . . 1 1 28 28 SER HA . . . 8.87 . . . . . . . . . . . . . . 4590 1 21 3JHNHA . 1 1 29 29 ARG H . . . . 1 1 29 29 ARG HA . . . 7.24 . . . . . . . . . . . . . . 4590 1 22 3JHNHA . 1 1 31 31 THR H . . . . 1 1 31 31 THR HA . . . 6.23 . . . . . . . . . . . . . . 4590 1 23 3JHNHA . 1 1 32 32 CYS H . . . . 1 1 32 32 CYS HA . . . 9.25 . . . . . . . . . . . . . . 4590 1 24 3JHNHA . 1 1 33 33 LEU H . . . . 1 1 33 33 LEU HA . . . 7.40 . . . . . . . . . . . . . . 4590 1 25 3JHNHA . 1 1 35 35 ALA H . . . . 1 1 35 35 ALA HA . . . 7.24 . . . . . . . . . . . . . . 4590 1 26 3JHNHA . 1 1 38 38 ILE H . . . . 1 1 38 38 ILE HA . . . 9.19 . . . . . . . . . . . . . . 4590 1 27 3JHNHA . 1 1 39 39 PHE H . . . . 1 1 39 39 PHE HA . . . 9.46 . . . . . . . . . . . . . . 4590 1 28 3JHNHA . 1 1 41 41 THR H . . . . 1 1 41 41 THR HA . . . 9.30 . . . . . . . . . . . . . . 4590 1 29 3JHNHA . 1 1 42 42 LYS H . . . . 1 1 42 42 LYS HA . . . 3.31 . . . . . . . . . . . . . . 4590 1 30 3JHNHA . 1 1 43 43 LYS H . . . . 1 1 43 43 LYS HA . . . 8.54 . . . . . . . . . . . . . . 4590 1 31 3JHNHA . 1 1 45 45 GLN H . . . . 1 1 45 45 GLN HA . . . 8.24 . . . . . . . . . . . . . . 4590 1 32 3JHNHA . 1 1 46 46 GLN H . . . . 1 1 46 46 GLN HA . . . 9.88 . . . . . . . . . . . . . . 4590 1 33 3JHNHA . 1 1 47 47 SER H . . . . 1 1 47 47 SER HA . . . 9.23 . . . . . . . . . . . . . . 4590 1 34 3JHNHA . 1 1 48 48 CYS H . . . . 1 1 48 48 CYS HA . . . 8.37 . . . . . . . . . . . . . . 4590 1 35 3JHNHA . 1 1 50 50 ASP H . . . . 1 1 50 50 ASP HA . . . 5.45 . . . . . . . . . . . . . . 4590 1 36 3JHNHA . 1 1 52 52 LYS H . . . . 1 1 52 52 LYS HA . . . 7.74 . . . . . . . . . . . . . . 4590 1 37 3JHNHA . 1 1 54 54 GLU H . . . . 1 1 54 54 GLU HA . . . 2.93 . . . . . . . . . . . . . . 4590 1 38 3JHNHA . 1 1 55 55 TRP H . . . . 1 1 55 55 TRP HA . . . 4.45 . . . . . . . . . . . . . . 4590 1 39 3JHNHA . 1 1 56 56 VAL H . . . . 1 1 56 56 VAL HA . . . 5.45 . . . . . . . . . . . . . . 4590 1 40 3JHNHA . 1 1 57 57 GLN H . . . . 1 1 57 57 GLN HA . . . 5.36 . . . . . . . . . . . . . . 4590 1 41 3JHNHA . 1 1 58 58 ARG H . . . . 1 1 58 58 ARG HA . . . 4.78 . . . . . . . . . . . . . . 4590 1 42 3JHNHA . 1 1 59 59 TYR H . . . . 1 1 59 59 TYR HA . . . 4.19 . . . . . . . . . . . . . . 4590 1 43 3JHNHA . 1 1 60 60 MET H . . . . 1 1 60 60 MET HA . . . 4.66 . . . . . . . . . . . . . . 4590 1 44 3JHNHA . 1 1 63 63 LEU H . . . . 1 1 63 63 LEU HA . . . 3.85 . . . . . . . . . . . . . . 4590 1 45 3JHNHA . 1 1 64 64 ASP H . . . . 1 1 64 64 ASP HA . . . 4.58 . . . . . . . . . . . . . . 4590 1 46 3JHNHA . 1 1 65 65 ALA H . . . . 1 1 65 65 ALA HA . . . 5.14 . . . . . . . . . . . . . . 4590 1 47 3JHNHA . 1 1 68 68 LYS H . . . . 1 1 68 68 LYS HA . . . 6.64 . . . . . . . . . . . . . . 4590 1 48 3JHNHA . 1 1 69 69 LYS H . . . . 1 1 69 69 LYS HA . . . 7.31 . . . . . . . . . . . . . . 4590 1 49 3JHNHA . 1 1 70 70 ALA H . . . . 1 1 70 70 ALA HA . . . 6.34 . . . . . . . . . . . . . . 4590 1 50 3JHNHA . 1 1 71 71 SER H . . . . 1 1 71 71 SER HA . . . 7.71 . . . . . . . . . . . . . . 4590 1 51 3JHNHA . 1 1 73 73 ARG H . . . . 1 1 73 73 ARG HA . . . 8.10 . . . . . . . . . . . . . . 4590 1 stop_ save_