data_15215 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15215 _Entry.Title ; Solution structure of the alternative conformation of XCL1/Lymphotactin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-17 _Entry.Accession_date 2007-04-17 _Entry.Last_release_date 2007-10-29 _Entry.Original_release_date 2007-10-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 B. Volkman B. F. . 15215 2 R. Tuinstra R. L. . 15215 3 F. Peterson F. C. . 15215 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15215 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chemokine chemokine 15215 Lymphotactin Lymphotactin 15215 'protein folding' 'protein folding' 15215 'structural rearrangement' 'structural rearrangement' 15215 XCL1 XCL1 15215 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15215 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 15215 '15N chemical shifts' 85 15215 '1H chemical shifts' 461 15215 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 . . 2007-10-29 2007-04-17 original author . 15215 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JP1 'BMRB Entry Tracking System' 15215 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15215 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17302442 _Citation.Full_citation . _Citation.Title 'An engineered second disulfide bond restricts lymphotactin/XCL1 to a chemokine-like conformation with XCR1 agonist activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 2564 _Citation.Page_last 2573 _Citation.Year 2007 _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 R. Tuinstra R. L. . 15215 1 2 F. Peterson F. C. . 15215 1 3 E. Elgin E. S. . 15215 1 4 A. Pelzek A. J. . 15215 1 5 B. Volkman B. F. . 15215 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15215 _Assembly.ID 1 _Assembly.Name XCL1/Lymphotactin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 XCL1 1 $XCL1 A . yes native no no . . . 15215 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 . 1 CYS 11 11 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 15215 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XCL1 _Entity.Sf_category entity _Entity.Sf_framecode XCL1 _Entity.Entry_ID 15215 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XCL1 _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 ; VGSEVSDKRTCVSLTTQRLP VSRIKTYTITEGSLRAVIFI TKRGLKVCADPQATWVRDVV RSMDRKSNTRNNMIQTKPTG TQQSTNTAVTLTG ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment XCL1 _Entity.Mutation NONE _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10289.896 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15110 . Lymphotactin . . . . . 98.92 92 97.83 97.83 2.52e-56 . . . . 15215 1 2 no BMRB 25693 . XCL1 . . . . . 100.00 93 97.85 97.85 9.11e-57 . . . . 15215 1 3 no PDB 1J8I . "Solution Structure Of Human Lymphotactin" . . . . . 98.92 93 100.00 100.00 7.84e-58 . . . . 15215 1 4 no PDB 1J9O . "Solution Structure Of Human Lymphotactin" . . . . . 98.92 93 100.00 100.00 7.84e-58 . . . . 15215 1 5 no PDB 2HDM . "Solution Structure Of V21cV59C LYMPHOTACTINXCL1" . . . . . 98.92 92 97.83 97.83 2.52e-56 . . . . 15215 1 6 no PDB 2JP1 . "Solution Structure Of The Alternative Conformation Of Xcl1LYMPHOTACTIN" . . . . . 100.00 93 100.00 100.00 2.07e-58 . . . . 15215 1 7 no PDB 2N54 . "Solution Structure Of A Disulfide Stabilized Xcl1 Dimer" . . . . . 100.00 93 97.85 97.85 9.11e-57 . . . . 15215 1 8 no PDB 2NYZ . "Viral Chemokine Binding Protein M3 From Murine Gammaherpesvirus68 In Complex With The C- Chemokine Xcl1" . . . . . 100.00 93 100.00 100.00 2.07e-58 . . . . 15215 1 9 no DBJ BAA07825 . "cytokine [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 10 no DBJ BAA09858 . "SCM-1beta precursor [Homo sapiens]" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 1 11 no DBJ BAA09859 . "SCM-1alpha precursor [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 12 no DBJ BAJ20778 . "chemokine (C motif) ligand 2 [synthetic construct]" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 1 13 no EMBL CAA60198 . "CD8+T cell specific protein [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 14 no GB AAC50164 . "lymphotactin precursor [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 15 no GB AAH69360 . "Chemokine (C motif) ligand 2 [Homo sapiens]" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 1 16 no GB AAH69817 . "Chemokine (C motif) ligand 1 [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 17 no GB AAH70308 . "Chemokine (C motif) ligand 2 [Homo sapiens]" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 1 18 no GB AAH70309 . "Chemokine (C motif) ligand 1 [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 19 no REF NP_002986 . "lymphotactin precursor [Homo sapiens]" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 20 no REF NP_003166 . "cytokine SCM-1 beta precursor [Homo sapiens]" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 1 21 no REF XP_003824662 . "PREDICTED: lymphotactin [Pan paniscus]" . . . . . 100.00 114 100.00 100.00 2.45e-58 . . . . 15215 1 22 no REF XP_004027907 . "PREDICTED: lymphotactin-like [Gorilla gorilla gorilla]" . . . . . 100.00 114 100.00 100.00 2.45e-58 . . . . 15215 1 23 no REF XP_009436138 . "PREDICTED: lymphotactin [Pan troglodytes]" . . . . . 100.00 114 100.00 100.00 2.45e-58 . . . . 15215 1 24 no SP P47992 . "RecName: Full=Lymphotactin; AltName: Full=ATAC; AltName: Full=C motif chemokine 1; AltName: Full=Cytokine SCM-1; AltName: Full=" . . . . . 100.00 114 100.00 100.00 1.66e-58 . . . . 15215 1 25 no SP Q9UBD3 . "RecName: Full=Cytokine SCM-1 beta; AltName: Full=C motif chemokine 2; AltName: Full=XC chemokine ligand 2; Flags: Precursor" . . . . . 100.00 114 97.85 98.92 3.90e-57 . . . . 15215 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 . 15215 1 2 . GLY . 15215 1 3 . SER . 15215 1 4 . GLU . 15215 1 5 . VAL . 15215 1 6 . SER . 15215 1 7 . ASP . 15215 1 8 . LYS . 15215 1 9 . ARG . 15215 1 10 . THR . 15215 1 11 . CYS . 15215 1 12 . VAL . 15215 1 13 . SER . 15215 1 14 . LEU . 15215 1 15 . THR . 15215 1 16 . THR . 15215 1 17 . GLN . 15215 1 18 . ARG . 15215 1 19 . LEU . 15215 1 20 . PRO . 15215 1 21 . VAL . 15215 1 22 . SER . 15215 1 23 . ARG . 15215 1 24 . ILE . 15215 1 25 . LYS . 15215 1 26 . THR . 15215 1 27 . TYR . 15215 1 28 . THR . 15215 1 29 . ILE . 15215 1 30 . THR . 15215 1 31 . GLU . 15215 1 32 . GLY . 15215 1 33 . SER . 15215 1 34 . LEU . 15215 1 35 . ARG . 15215 1 36 . ALA . 15215 1 37 . VAL . 15215 1 38 . ILE . 15215 1 39 . PHE . 15215 1 40 . ILE . 15215 1 41 . THR . 15215 1 42 . LYS . 15215 1 43 . ARG . 15215 1 44 . GLY . 15215 1 45 . LEU . 15215 1 46 . LYS . 15215 1 47 . VAL . 15215 1 48 . CYS . 15215 1 49 . ALA . 15215 1 50 . ASP . 15215 1 51 . PRO . 15215 1 52 . GLN . 15215 1 53 . ALA . 15215 1 54 . THR . 15215 1 55 . TRP . 15215 1 56 . VAL . 15215 1 57 . ARG . 15215 1 58 . ASP . 15215 1 59 . VAL . 15215 1 60 . VAL . 15215 1 61 . ARG . 15215 1 62 . SER . 15215 1 63 . MET . 15215 1 64 . ASP . 15215 1 65 . ARG . 15215 1 66 . LYS . 15215 1 67 . SER . 15215 1 68 . ASN . 15215 1 69 . THR . 15215 1 70 . ARG . 15215 1 71 . ASN . 15215 1 72 . ASN . 15215 1 73 . MET . 15215 1 74 . ILE . 15215 1 75 . GLN . 15215 1 76 . THR . 15215 1 77 . LYS . 15215 1 78 . PRO . 15215 1 79 . THR . 15215 1 80 . GLY . 15215 1 81 . THR . 15215 1 82 . GLN . 15215 1 83 . GLN . 15215 1 84 . SER . 15215 1 85 . THR . 15215 1 86 . ASN . 15215 1 87 . THR . 15215 1 88 . ALA . 15215 1 89 . VAL . 15215 1 90 . THR . 15215 1 91 . LEU . 15215 1 92 . THR . 15215 1 93 . GLY . 15215 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 15215 1 . GLY 2 2 15215 1 . SER 3 3 15215 1 . GLU 4 4 15215 1 . VAL 5 5 15215 1 . SER 6 6 15215 1 . ASP 7 7 15215 1 . LYS 8 8 15215 1 . ARG 9 9 15215 1 . THR 10 10 15215 1 . CYS 11 11 15215 1 . VAL 12 12 15215 1 . SER 13 13 15215 1 . LEU 14 14 15215 1 . THR 15 15 15215 1 . THR 16 16 15215 1 . GLN 17 17 15215 1 . ARG 18 18 15215 1 . LEU 19 19 15215 1 . PRO 20 20 15215 1 . VAL 21 21 15215 1 . SER 22 22 15215 1 . ARG 23 23 15215 1 . ILE 24 24 15215 1 . LYS 25 25 15215 1 . THR 26 26 15215 1 . TYR 27 27 15215 1 . THR 28 28 15215 1 . ILE 29 29 15215 1 . THR 30 30 15215 1 . GLU 31 31 15215 1 . GLY 32 32 15215 1 . SER 33 33 15215 1 . LEU 34 34 15215 1 . ARG 35 35 15215 1 . ALA 36 36 15215 1 . VAL 37 37 15215 1 . ILE 38 38 15215 1 . PHE 39 39 15215 1 . ILE 40 40 15215 1 . THR 41 41 15215 1 . LYS 42 42 15215 1 . ARG 43 43 15215 1 . GLY 44 44 15215 1 . LEU 45 45 15215 1 . LYS 46 46 15215 1 . VAL 47 47 15215 1 . CYS 48 48 15215 1 . ALA 49 49 15215 1 . ASP 50 50 15215 1 . PRO 51 51 15215 1 . GLN 52 52 15215 1 . ALA 53 53 15215 1 . THR 54 54 15215 1 . TRP 55 55 15215 1 . VAL 56 56 15215 1 . ARG 57 57 15215 1 . ASP 58 58 15215 1 . VAL 59 59 15215 1 . VAL 60 60 15215 1 . ARG 61 61 15215 1 . SER 62 62 15215 1 . MET 63 63 15215 1 . ASP 64 64 15215 1 . ARG 65 65 15215 1 . LYS 66 66 15215 1 . SER 67 67 15215 1 . ASN 68 68 15215 1 . THR 69 69 15215 1 . ARG 70 70 15215 1 . ASN 71 71 15215 1 . ASN 72 72 15215 1 . MET 73 73 15215 1 . ILE 74 74 15215 1 . GLN 75 75 15215 1 . THR 76 76 15215 1 . LYS 77 77 15215 1 . PRO 78 78 15215 1 . THR 79 79 15215 1 . GLY 80 80 15215 1 . THR 81 81 15215 1 . GLN 82 82 15215 1 . GLN 83 83 15215 1 . SER 84 84 15215 1 . THR 85 85 15215 1 . ASN 86 86 15215 1 . THR 87 87 15215 1 . ALA 88 88 15215 1 . VAL 89 89 15215 1 . THR 90 90 15215 1 . LEU 91 91 15215 1 . THR 92 92 15215 1 . GLY 93 93 15215 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 15215 _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 $XCL1 . 9606 organism . 'Homo Sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . XCL1 . . . . 15215 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 15215 _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 $XCL1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 15215 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15215 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM XCL1 U-15N/13C, 20 mM sodium phosphate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XCL1 '[U-100% 13C; U-100% 15N]' . . 1 $XCL1 . . 1.0 . . mM . . . . 15215 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15215 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15215 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM XCL1 U-15N/13C, 0.6 mM XCL1 unlabeled, 20 mM sodium phosphate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XCL1 '[U-100% 13C; U-100% 15N]' . . 1 $XCL1 . . 0.6 . . mM . . . . 15215 2 2 XCL1 'natural abundance' . . 1 $XCL1 . . 0.6 . . mM . . . . 15215 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15215 2 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 15215 _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' 22 . mM 15215 1 pH 6.0 . pH 15215 1 pressure 1 . atm 15215 1 temperature 313 . K 15215 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 15215 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 15215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15215 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15215 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 15215 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15215 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 15215 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 15215 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15215 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15215 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 15215 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15215 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 15215 _Software.ID 5 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'R.W. Glaser' . . 15215 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15215 5 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 15215 _Software.ID 6 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 15215 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15215 6 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 15215 _Software.ID 7 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 15215 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 15215 7 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 15215 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15215 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15215 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 15215 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15215 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15215 1 3 '3D 13C-F1-filtered 13C-F3-separateded NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15215 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 15215 _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 . indirect 0.251449530 . . . . . . . . . 15215 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15215 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15215 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 15215 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' . . . 15215 1 2 '3D 13C-separated NOESY' . . . 15215 1 3 '3D 13C-F1-filtered 13C-F3-separateded NOESY' . . . 15215 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 HA H 1 3.794 0.020 . 1 . . . . 1 VAL HA . 15215 1 2 . 1 1 1 1 VAL HB H 1 2.180 0.020 . 1 . . . . 1 VAL HB . 15215 1 3 . 1 1 1 1 VAL HG11 H 1 1.008 0.020 . 2 . . . . 1 VAL QG1 . 15215 1 4 . 1 1 1 1 VAL HG12 H 1 1.008 0.020 . 2 . . . . 1 VAL QG1 . 15215 1 5 . 1 1 1 1 VAL HG13 H 1 1.008 0.020 . 2 . . . . 1 VAL QG1 . 15215 1 6 . 1 1 1 1 VAL CA C 13 62.000 0.1 . 1 . . . . 1 VAL CA . 15215 1 7 . 1 1 1 1 VAL CB C 13 32.880 0.1 . 1 . . . . 1 VAL CB . 15215 1 8 . 1 1 1 1 VAL CG1 C 13 19.871 0.1 . 1 . . . . 1 VAL CG1 . 15215 1 9 . 1 1 2 2 GLY HA2 H 1 4.053 0.020 . 1 . . . . 2 GLY HA2 . 15215 1 10 . 1 1 2 2 GLY HA3 H 1 4.053 0.020 . 1 . . . . 2 GLY HA3 . 15215 1 11 . 1 1 2 2 GLY C C 13 173.916 0.1 . 1 . . . . 2 GLY C . 15215 1 12 . 1 1 2 2 GLY CA C 13 45.426 0.1 . 1 . . . . 2 GLY CA . 15215 1 13 . 1 1 3 3 SER H H 1 8.302 0.020 . 1 . . . . 3 SER H . 15215 1 14 . 1 1 3 3 SER C C 13 174.533 0.1 . 1 . . . . 3 SER C . 15215 1 15 . 1 1 3 3 SER CA C 13 58.433 0.1 . 1 . . . . 3 SER CA . 15215 1 16 . 1 1 3 3 SER CB C 13 63.896 0.1 . 1 . . . . 3 SER CB . 15215 1 17 . 1 1 3 3 SER N N 15 116.043 0.1 . 1 . . . . 3 SER N . 15215 1 18 . 1 1 4 4 GLU H H 1 8.490 0.020 . 1 . . . . 4 GLU H . 15215 1 19 . 1 1 4 4 GLU HA H 1 4.312 0.020 . 1 . . . . 4 GLU HA . 15215 1 20 . 1 1 4 4 GLU HB2 H 1 2.013 0.020 . 2 . . . . 4 GLU HB2 . 15215 1 21 . 1 1 4 4 GLU HB3 H 1 1.930 0.020 . 2 . . . . 4 GLU HB3 . 15215 1 22 . 1 1 4 4 GLU HG2 H 1 2.234 0.020 . 1 . . . . 4 GLU HG2 . 15215 1 23 . 1 1 4 4 GLU HG3 H 1 2.234 0.020 . 1 . . . . 4 GLU HG3 . 15215 1 24 . 1 1 4 4 GLU C C 13 176.520 0.1 . 1 . . . . 4 GLU C . 15215 1 25 . 1 1 4 4 GLU CA C 13 57.075 0.1 . 1 . . . . 4 GLU CA . 15215 1 26 . 1 1 4 4 GLU CB C 13 30.291 0.1 . 1 . . . . 4 GLU CB . 15215 1 27 . 1 1 4 4 GLU CG C 13 36.367 0.1 . 1 . . . . 4 GLU CG . 15215 1 28 . 1 1 4 4 GLU N N 15 122.854 0.1 . 1 . . . . 4 GLU N . 15215 1 29 . 1 1 5 5 VAL H H 1 8.093 0.020 . 1 . . . . 5 VAL H . 15215 1 30 . 1 1 5 5 VAL HA H 1 4.151 0.020 . 1 . . . . 5 VAL HA . 15215 1 31 . 1 1 5 5 VAL HB H 1 2.036 0.020 . 1 . . . . 5 VAL HB . 15215 1 32 . 1 1 5 5 VAL HG11 H 1 0.914 0.020 . 2 . . . . 5 VAL QG1 . 15215 1 33 . 1 1 5 5 VAL HG12 H 1 0.914 0.020 . 2 . . . . 5 VAL QG1 . 15215 1 34 . 1 1 5 5 VAL HG13 H 1 0.914 0.020 . 2 . . . . 5 VAL QG1 . 15215 1 35 . 1 1 5 5 VAL C C 13 176.155 0.1 . 1 . . . . 5 VAL C . 15215 1 36 . 1 1 5 5 VAL CA C 13 62.489 0.1 . 1 . . . . 5 VAL CA . 15215 1 37 . 1 1 5 5 VAL CB C 13 32.808 0.1 . 1 . . . . 5 VAL CB . 15215 1 38 . 1 1 5 5 VAL CG1 C 13 21.165 0.1 . 1 . . . . 5 VAL CG1 . 15215 1 39 . 1 1 5 5 VAL CG2 C 13 20.773 0.1 . 1 . . . . 5 VAL CG2 . 15215 1 40 . 1 1 5 5 VAL N N 15 120.323 0.1 . 1 . . . . 5 VAL N . 15215 1 41 . 1 1 6 6 SER H H 1 8.226 0.020 . 1 . . . . 6 SER H . 15215 1 42 . 1 1 6 6 SER HA H 1 4.443 0.020 . 1 . . . . 6 SER HA . 15215 1 43 . 1 1 6 6 SER HB2 H 1 3.847 0.020 . 1 . . . . 6 SER HB2 . 15215 1 44 . 1 1 6 6 SER HB3 H 1 3.847 0.020 . 1 . . . . 6 SER HB3 . 15215 1 45 . 1 1 6 6 SER C C 13 174.327 0.1 . 1 . . . . 6 SER C . 15215 1 46 . 1 1 6 6 SER CA C 13 58.369 0.1 . 1 . . . . 6 SER CA . 15215 1 47 . 1 1 6 6 SER CB C 13 63.546 0.1 . 1 . . . . 6 SER CB . 15215 1 48 . 1 1 6 6 SER N N 15 118.840 0.1 . 1 . . . . 6 SER N . 15215 1 49 . 1 1 7 7 ASP H H 1 8.243 0.020 . 1 . . . . 7 ASP H . 15215 1 50 . 1 1 7 7 ASP HA H 1 4.619 0.020 . 1 . . . . 7 ASP HA . 15215 1 51 . 1 1 7 7 ASP HB2 H 1 2.621 0.020 . 1 . . . . 7 ASP HB2 . 15215 1 52 . 1 1 7 7 ASP HB3 H 1 2.621 0.020 . 1 . . . . 7 ASP HB3 . 15215 1 53 . 1 1 7 7 ASP C C 13 176.086 0.1 . 1 . . . . 7 ASP C . 15215 1 54 . 1 1 7 7 ASP CA C 13 54.486 0.1 . 1 . . . . 7 ASP CA . 15215 1 55 . 1 1 7 7 ASP CB C 13 41.544 0.1 . 1 . . . . 7 ASP CB . 15215 1 56 . 1 1 7 7 ASP N N 15 122.694 0.1 . 1 . . . . 7 ASP N . 15215 1 57 . 1 1 8 8 LYS H H 1 8.145 0.020 . 1 . . . . 8 LYS H . 15215 1 58 . 1 1 8 8 LYS HA H 1 4.361 0.020 . 1 . . . . 8 LYS HA . 15215 1 59 . 1 1 8 8 LYS HB2 H 1 1.856 0.020 . 2 . . . . 8 LYS HB2 . 15215 1 60 . 1 1 8 8 LYS HB3 H 1 1.761 0.020 . 2 . . . . 8 LYS HB3 . 15215 1 61 . 1 1 8 8 LYS HG2 H 1 1.417 0.020 . 1 . . . . 8 LYS HG2 . 15215 1 62 . 1 1 8 8 LYS HG3 H 1 1.417 0.020 . 1 . . . . 8 LYS HG3 . 15215 1 63 . 1 1 8 8 LYS HD2 H 1 1.641 0.020 . 1 . . . . 8 LYS HD2 . 15215 1 64 . 1 1 8 8 LYS HD3 H 1 1.641 0.020 . 1 . . . . 8 LYS HD3 . 15215 1 65 . 1 1 8 8 LYS HE2 H 1 3.172 0.020 . 1 . . . . 8 LYS HE2 . 15215 1 66 . 1 1 8 8 LYS HE3 H 1 3.172 0.020 . 1 . . . . 8 LYS HE3 . 15215 1 67 . 1 1 8 8 LYS C C 13 176.429 0.1 . 1 . . . . 8 LYS C . 15215 1 68 . 1 1 8 8 LYS CA C 13 56.104 0.1 . 1 . . . . 8 LYS CA . 15215 1 69 . 1 1 8 8 LYS CB C 13 30.543 0.1 . 1 . . . . 8 LYS CB . 15215 1 70 . 1 1 8 8 LYS CD C 13 26.984 0.1 . 1 . . . . 8 LYS CD . 15215 1 71 . 1 1 8 8 LYS CE C 13 43.485 0.1 . 1 . . . . 8 LYS CE . 15215 1 72 . 1 1 8 8 LYS N N 15 120.696 0.1 . 1 . . . . 8 LYS N . 15215 1 73 . 1 1 9 9 ARG H H 1 8.262 0.020 . 1 . . . . 9 ARG H . 15215 1 74 . 1 1 9 9 ARG HA H 1 4.554 0.020 . 1 . . . . 9 ARG HA . 15215 1 75 . 1 1 9 9 ARG HB2 H 1 1.860 0.020 . 1 . . . . 9 ARG HB2 . 15215 1 76 . 1 1 9 9 ARG HB3 H 1 1.860 0.020 . 1 . . . . 9 ARG HB3 . 15215 1 77 . 1 1 9 9 ARG HG2 H 1 1.632 0.020 . 1 . . . . 9 ARG HG2 . 15215 1 78 . 1 1 9 9 ARG HG3 H 1 1.632 0.020 . 1 . . . . 9 ARG HG3 . 15215 1 79 . 1 1 9 9 ARG HD2 H 1 3.145 0.020 . 1 . . . . 9 ARG HD2 . 15215 1 80 . 1 1 9 9 ARG HD3 H 1 3.145 0.020 . 1 . . . . 9 ARG HD3 . 15215 1 81 . 1 1 9 9 ARG C C 13 176.132 0.1 . 1 . . . . 9 ARG C . 15215 1 82 . 1 1 9 9 ARG CA C 13 56.499 0.1 . 1 . . . . 9 ARG CA . 15215 1 83 . 1 1 9 9 ARG CB C 13 31.585 0.1 . 1 . . . . 9 ARG CB . 15215 1 84 . 1 1 9 9 ARG CG C 13 27.703 0.1 . 1 . . . . 9 ARG CG . 15215 1 85 . 1 1 9 9 ARG CD C 13 43.881 0.1 . 1 . . . . 9 ARG CD . 15215 1 86 . 1 1 9 9 ARG N N 15 121.821 0.1 . 1 . . . . 9 ARG N . 15215 1 87 . 1 1 10 10 THR H H 1 8.367 0.020 . 1 . . . . 10 THR H . 15215 1 88 . 1 1 10 10 THR HA H 1 4.586 0.020 . 1 . . . . 10 THR HA . 15215 1 89 . 1 1 10 10 THR HB H 1 4.228 0.020 . 1 . . . . 10 THR HB . 15215 1 90 . 1 1 10 10 THR HG21 H 1 1.209 0.020 . 1 . . . . 10 THR QG2 . 15215 1 91 . 1 1 10 10 THR HG22 H 1 1.209 0.020 . 1 . . . . 10 THR QG2 . 15215 1 92 . 1 1 10 10 THR HG23 H 1 1.209 0.020 . 1 . . . . 10 THR QG2 . 15215 1 93 . 1 1 10 10 THR C C 13 173.802 0.1 . 1 . . . . 10 THR C . 15215 1 94 . 1 1 10 10 THR CA C 13 62.000 0.1 . 1 . . . . 10 THR CA . 15215 1 95 . 1 1 10 10 THR CB C 13 69.760 0.1 . 1 . . . . 10 THR CB . 15215 1 96 . 1 1 10 10 THR CG2 C 13 21.561 0.1 . 1 . . . . 10 THR CG2 . 15215 1 97 . 1 1 10 10 THR N N 15 117.841 0.1 . 1 . . . . 10 THR N . 15215 1 98 . 1 1 11 11 CYS H H 1 8.360 0.020 . 1 . . . . 11 CYS H . 15215 1 99 . 1 1 11 11 CYS HA H 1 6.069 0.020 . 1 . . . . 11 CYS HA . 15215 1 100 . 1 1 11 11 CYS HB2 H 1 3.116 0.020 . 2 . . . . 11 CYS HB2 . 15215 1 101 . 1 1 11 11 CYS HB3 H 1 2.686 0.020 . 2 . . . . 11 CYS HB3 . 15215 1 102 . 1 1 11 11 CYS C C 13 173.687 0.1 . 1 . . . . 11 CYS C . 15215 1 103 . 1 1 11 11 CYS CA C 13 55.428 0.1 . 1 . . . . 11 CYS CA . 15215 1 104 . 1 1 11 11 CYS CB C 13 49.956 0.1 . 1 . . . . 11 CYS CB . 15215 1 105 . 1 1 11 11 CYS N N 15 121.176 0.1 . 1 . . . . 11 CYS N . 15215 1 106 . 1 1 12 12 VAL H H 1 9.119 0.020 . 1 . . . . 12 VAL H . 15215 1 107 . 1 1 12 12 VAL HA H 1 4.637 0.020 . 1 . . . . 12 VAL HA . 15215 1 108 . 1 1 12 12 VAL HB H 1 2.021 0.020 . 1 . . . . 12 VAL HB . 15215 1 109 . 1 1 12 12 VAL HG11 H 1 0.828 0.020 . 2 . . . . 12 VAL QG1 . 15215 1 110 . 1 1 12 12 VAL HG12 H 1 0.828 0.020 . 2 . . . . 12 VAL QG1 . 15215 1 111 . 1 1 12 12 VAL HG13 H 1 0.828 0.020 . 2 . . . . 12 VAL QG1 . 15215 1 112 . 1 1 12 12 VAL C C 13 173.893 0.1 . 1 . . . . 12 VAL C . 15215 1 113 . 1 1 12 12 VAL CA C 13 60.387 0.1 . 1 . . . . 12 VAL CA . 15215 1 114 . 1 1 12 12 VAL CB C 13 35.468 0.1 . 1 . . . . 12 VAL CB . 15215 1 115 . 1 1 12 12 VAL CG1 C 13 20.266 0.1 . 1 . . . . 12 VAL CG1 . 15215 1 116 . 1 1 12 12 VAL N N 15 118.024 0.1 . 1 . . . . 12 VAL N . 15215 1 117 . 1 1 13 13 SER H H 1 8.512 0.020 . 1 . . . . 13 SER H . 15215 1 118 . 1 1 13 13 SER HA H 1 5.275 0.020 . 1 . . . . 13 SER HA . 15215 1 119 . 1 1 13 13 SER HB2 H 1 3.697 0.020 . 1 . . . . 13 SER HB2 . 15215 1 120 . 1 1 13 13 SER HB3 H 1 3.697 0.020 . 1 . . . . 13 SER HB3 . 15215 1 121 . 1 1 13 13 SER C C 13 172.591 0.1 . 1 . . . . 13 SER C . 15215 1 122 . 1 1 13 13 SER CA C 13 57.782 0.1 . 1 . . . . 13 SER CA . 15215 1 123 . 1 1 13 13 SER CB C 13 65.805 0.1 . 1 . . . . 13 SER CB . 15215 1 124 . 1 1 13 13 SER N N 15 118.270 0.1 . 1 . . . . 13 SER N . 15215 1 125 . 1 1 14 14 LEU H H 1 8.896 0.020 . 1 . . . . 14 LEU H . 15215 1 126 . 1 1 14 14 LEU HA H 1 4.656 0.020 . 1 . . . . 14 LEU HA . 15215 1 127 . 1 1 14 14 LEU HB2 H 1 1.645 0.020 . 2 . . . . 14 LEU HB2 . 15215 1 128 . 1 1 14 14 LEU HB3 H 1 1.288 0.020 . 2 . . . . 14 LEU HB3 . 15215 1 129 . 1 1 14 14 LEU HG H 1 1.447 0.020 . 1 . . . . 14 LEU HG . 15215 1 130 . 1 1 14 14 LEU HD11 H 1 0.801 0.020 . 2 . . . . 14 LEU QD1 . 15215 1 131 . 1 1 14 14 LEU HD12 H 1 0.801 0.020 . 2 . . . . 14 LEU QD1 . 15215 1 132 . 1 1 14 14 LEU HD13 H 1 0.801 0.020 . 2 . . . . 14 LEU QD1 . 15215 1 133 . 1 1 14 14 LEU HD21 H 1 0.725 0.020 . 2 . . . . 14 LEU QD2 . 15215 1 134 . 1 1 14 14 LEU HD22 H 1 0.725 0.020 . 2 . . . . 14 LEU QD2 . 15215 1 135 . 1 1 14 14 LEU HD23 H 1 0.725 0.020 . 2 . . . . 14 LEU QD2 . 15215 1 136 . 1 1 14 14 LEU C C 13 175.766 0.1 . 1 . . . . 14 LEU C . 15215 1 137 . 1 1 14 14 LEU CA C 13 54.493 0.1 . 1 . . . . 14 LEU CA . 15215 1 138 . 1 1 14 14 LEU CB C 13 45.103 0.1 . 1 . . . . 14 LEU CB . 15215 1 139 . 1 1 14 14 LEU N N 15 125.549 0.1 . 1 . . . . 14 LEU N . 15215 1 140 . 1 1 15 15 THR H H 1 7.961 0.020 . 1 . . . . 15 THR H . 15215 1 141 . 1 1 15 15 THR HA H 1 4.694 0.020 . 1 . . . . 15 THR HA . 15215 1 142 . 1 1 15 15 THR HB H 1 4.194 0.020 . 1 . . . . 15 THR HB . 15215 1 143 . 1 1 15 15 THR HG21 H 1 1.210 0.020 . 1 . . . . 15 THR QG2 . 15215 1 144 . 1 1 15 15 THR HG22 H 1 1.210 0.020 . 1 . . . . 15 THR QG2 . 15215 1 145 . 1 1 15 15 THR HG23 H 1 1.210 0.020 . 1 . . . . 15 THR QG2 . 15215 1 146 . 1 1 15 15 THR C C 13 174.167 0.1 . 1 . . . . 15 THR C . 15215 1 147 . 1 1 15 15 THR CA C 13 62.225 0.1 . 1 . . . . 15 THR CA . 15215 1 148 . 1 1 15 15 THR N N 15 119.411 0.1 . 1 . . . . 15 THR N . 15215 1 149 . 1 1 16 16 THR H H 1 8.085 0.020 . 1 . . . . 16 THR H . 15215 1 150 . 1 1 16 16 THR HA H 1 4.636 0.020 . 1 . . . . 16 THR HA . 15215 1 151 . 1 1 16 16 THR HB H 1 4.365 0.020 . 1 . . . . 16 THR HB . 15215 1 152 . 1 1 16 16 THR HG21 H 1 1.033 0.020 . 1 . . . . 16 THR QG2 . 15215 1 153 . 1 1 16 16 THR HG22 H 1 1.033 0.020 . 1 . . . . 16 THR QG2 . 15215 1 154 . 1 1 16 16 THR HG23 H 1 1.033 0.020 . 1 . . . . 16 THR QG2 . 15215 1 155 . 1 1 16 16 THR C C 13 174.601 0.1 . 1 . . . . 16 THR C . 15215 1 156 . 1 1 16 16 THR CA C 13 60.752 0.1 . 1 . . . . 16 THR CA . 15215 1 157 . 1 1 16 16 THR CB C 13 70.730 0.1 . 1 . . . . 16 THR CB . 15215 1 158 . 1 1 16 16 THR CG2 C 13 20.914 0.1 . 1 . . . . 16 THR CG2 . 15215 1 159 . 1 1 16 16 THR N N 15 116.177 0.1 . 1 . . . . 16 THR N . 15215 1 160 . 1 1 17 17 GLN H H 1 8.126 0.020 . 1 . . . . 17 GLN H . 15215 1 161 . 1 1 17 17 GLN HA H 1 4.627 0.020 . 1 . . . . 17 GLN HA . 15215 1 162 . 1 1 17 17 GLN HB2 H 1 2.110 0.020 . 2 . . . . 17 GLN HB2 . 15215 1 163 . 1 1 17 17 GLN HB3 H 1 1.969 0.020 . 2 . . . . 17 GLN HB3 . 15215 1 164 . 1 1 17 17 GLN HG2 H 1 2.340 0.020 . 1 . . . . 17 GLN HG2 . 15215 1 165 . 1 1 17 17 GLN HG3 H 1 2.340 0.020 . 1 . . . . 17 GLN HG3 . 15215 1 166 . 1 1 17 17 GLN C C 13 174.944 0.1 . 1 . . . . 17 GLN C . 15215 1 167 . 1 1 17 17 GLN CA C 13 56.167 0.1 . 1 . . . . 17 GLN CA . 15215 1 168 . 1 1 17 17 GLN CB C 13 29.644 0.1 . 1 . . . . 17 GLN CB . 15215 1 169 . 1 1 17 17 GLN CG C 13 33.850 0.1 . 1 . . . . 17 GLN CG . 15215 1 170 . 1 1 17 17 GLN N N 15 119.442 0.1 . 1 . . . . 17 GLN N . 15215 1 171 . 1 1 18 18 ARG H H 1 8.126 0.020 . 1 . . . . 18 ARG H . 15215 1 172 . 1 1 18 18 ARG HA H 1 4.342 0.020 . 1 . . . . 18 ARG HA . 15215 1 173 . 1 1 18 18 ARG HB2 H 1 1.761 0.020 . 1 . . . . 18 ARG HB2 . 15215 1 174 . 1 1 18 18 ARG HB3 H 1 1.761 0.020 . 1 . . . . 18 ARG HB3 . 15215 1 175 . 1 1 18 18 ARG HG2 H 1 1.036 0.020 . 1 . . . . 18 ARG HG2 . 15215 1 176 . 1 1 18 18 ARG HG3 H 1 1.036 0.020 . 1 . . . . 18 ARG HG3 . 15215 1 177 . 1 1 18 18 ARG HD2 H 1 3.151 0.020 . 1 . . . . 18 ARG HD2 . 15215 1 178 . 1 1 18 18 ARG HD3 H 1 3.151 0.020 . 1 . . . . 18 ARG HD3 . 15215 1 179 . 1 1 18 18 ARG C C 13 176.223 0.1 . 1 . . . . 18 ARG C . 15215 1 180 . 1 1 18 18 ARG CA C 13 56.751 0.1 . 1 . . . . 18 ARG CA . 15215 1 181 . 1 1 18 18 ARG CB C 13 30.543 0.1 . 1 . . . . 18 ARG CB . 15215 1 182 . 1 1 18 18 ARG CD C 13 43.485 0.1 . 1 . . . . 18 ARG CD . 15215 1 183 . 1 1 18 18 ARG N N 15 119.839 0.1 . 1 . . . . 18 ARG N . 15215 1 184 . 1 1 19 19 LEU H H 1 8.534 0.020 . 1 . . . . 19 LEU H . 15215 1 185 . 1 1 19 19 LEU HA H 1 4.815 0.020 . 1 . . . . 19 LEU HA . 15215 1 186 . 1 1 19 19 LEU HB2 H 1 1.868 0.020 . 2 . . . . 19 LEU HB2 . 15215 1 187 . 1 1 19 19 LEU HB3 H 1 1.229 0.020 . 2 . . . . 19 LEU HB3 . 15215 1 188 . 1 1 19 19 LEU HG H 1 1.742 0.020 . 1 . . . . 19 LEU HG . 15215 1 189 . 1 1 19 19 LEU HD11 H 1 0.920 0.020 . 2 . . . . 19 LEU QD1 . 15215 1 190 . 1 1 19 19 LEU HD12 H 1 0.920 0.020 . 2 . . . . 19 LEU QD1 . 15215 1 191 . 1 1 19 19 LEU HD13 H 1 0.920 0.020 . 2 . . . . 19 LEU QD1 . 15215 1 192 . 1 1 19 19 LEU HD21 H 1 0.817 0.020 . 2 . . . . 19 LEU QD2 . 15215 1 193 . 1 1 19 19 LEU HD22 H 1 0.817 0.020 . 2 . . . . 19 LEU QD2 . 15215 1 194 . 1 1 19 19 LEU HD23 H 1 0.817 0.020 . 2 . . . . 19 LEU QD2 . 15215 1 195 . 1 1 19 19 LEU CA C 13 52.221 0.1 . 1 . . . . 19 LEU CA . 15215 1 196 . 1 1 19 19 LEU CB C 13 43.485 0.1 . 1 . . . . 19 LEU CB . 15215 1 197 . 1 1 19 19 LEU CG C 13 26.984 0.1 . 1 . . . . 19 LEU CG . 15215 1 198 . 1 1 19 19 LEU CD1 C 13 25.366 0.1 . 1 . . . . 19 LEU CD1 . 15215 1 199 . 1 1 19 19 LEU CD2 C 13 23.424 0.1 . 1 . . . . 19 LEU CD2 . 15215 1 200 . 1 1 19 19 LEU N N 15 125.977 0.1 . 1 . . . . 19 LEU N . 15215 1 201 . 1 1 20 20 PRO HA H 1 4.658 0.020 . 1 . . . . 20 PRO HA . 15215 1 202 . 1 1 20 20 PRO HG2 H 1 2.062 0.020 . 2 . . . . 20 PRO HG2 . 15215 1 203 . 1 1 20 20 PRO HG3 H 1 1.948 0.020 . 2 . . . . 20 PRO HG3 . 15215 1 204 . 1 1 20 20 PRO HD2 H 1 3.750 0.020 . 2 . . . . 20 PRO HD2 . 15215 1 205 . 1 1 20 20 PRO HD3 H 1 3.511 0.020 . 2 . . . . 20 PRO HD3 . 15215 1 206 . 1 1 20 20 PRO C C 13 175.629 0.1 . 1 . . . . 20 PRO C . 15215 1 207 . 1 1 20 20 PRO CA C 13 63.584 0.1 . 1 . . . . 20 PRO CA . 15215 1 208 . 1 1 20 20 PRO CG C 13 27.379 0.1 . 1 . . . . 20 PRO CG . 15215 1 209 . 1 1 20 20 PRO CD C 13 50.604 0.1 . 1 . . . . 20 PRO CD . 15215 1 210 . 1 1 21 21 VAL H H 1 7.741 0.020 . 1 . . . . 21 VAL H . 15215 1 211 . 1 1 21 21 VAL HA H 1 4.303 0.020 . 1 . . . . 21 VAL HA . 15215 1 212 . 1 1 21 21 VAL HB H 1 1.963 0.020 . 1 . . . . 21 VAL HB . 15215 1 213 . 1 1 21 21 VAL HG11 H 1 0.782 0.020 . 2 . . . . 21 VAL QG1 . 15215 1 214 . 1 1 21 21 VAL HG12 H 1 0.782 0.020 . 2 . . . . 21 VAL QG1 . 15215 1 215 . 1 1 21 21 VAL HG13 H 1 0.782 0.020 . 2 . . . . 21 VAL QG1 . 15215 1 216 . 1 1 21 21 VAL HG21 H 1 0.677 0.020 . 2 . . . . 21 VAL QG2 . 15215 1 217 . 1 1 21 21 VAL HG22 H 1 0.677 0.020 . 2 . . . . 21 VAL QG2 . 15215 1 218 . 1 1 21 21 VAL HG23 H 1 0.677 0.020 . 2 . . . . 21 VAL QG2 . 15215 1 219 . 1 1 21 21 VAL CA C 13 60.957 0.1 . 1 . . . . 21 VAL CA . 15215 1 220 . 1 1 21 21 VAL CB C 13 34.426 0.1 . 1 . . . . 21 VAL CB . 15215 1 221 . 1 1 21 21 VAL CG1 C 13 21.812 0.1 . 1 . . . . 21 VAL CG1 . 15215 1 222 . 1 1 21 21 VAL CG2 C 13 19.871 0.1 . 1 . . . . 21 VAL CG2 . 15215 1 223 . 1 1 21 21 VAL N N 15 119.268 0.1 . 1 . . . . 21 VAL N . 15215 1 224 . 1 1 22 22 SER C C 13 174.099 0.1 . 1 . . . . 22 SER C . 15215 1 225 . 1 1 22 22 SER CA C 13 59.068 0.1 . 1 . . . . 22 SER CA . 15215 1 226 . 1 1 23 23 ARG H H 1 7.716 0.020 . 1 . . . . 23 ARG H . 15215 1 227 . 1 1 23 23 ARG HA H 1 4.476 0.020 . 1 . . . . 23 ARG HA . 15215 1 228 . 1 1 23 23 ARG HB2 H 1 1.879 0.020 . 2 . . . . 23 ARG HB2 . 15215 1 229 . 1 1 23 23 ARG HB3 H 1 1.736 0.020 . 2 . . . . 23 ARG HB3 . 15215 1 230 . 1 1 23 23 ARG HG2 H 1 1.546 0.020 . 1 . . . . 23 ARG HG2 . 15215 1 231 . 1 1 23 23 ARG HG3 H 1 1.546 0.020 . 1 . . . . 23 ARG HG3 . 15215 1 232 . 1 1 23 23 ARG HD2 H 1 3.172 0.020 . 1 . . . . 23 ARG HD2 . 15215 1 233 . 1 1 23 23 ARG HD3 H 1 3.172 0.020 . 1 . . . . 23 ARG HD3 . 15215 1 234 . 1 1 23 23 ARG C C 13 174.258 0.1 . 1 . . . . 23 ARG C . 15215 1 235 . 1 1 23 23 ARG CA C 13 54.882 0.1 . 1 . . . . 23 ARG CA . 15215 1 236 . 1 1 23 23 ARG CB C 13 31.909 0.1 . 1 . . . . 23 ARG CB . 15215 1 237 . 1 1 23 23 ARG CG C 13 26.732 0.1 . 1 . . . . 23 ARG CG . 15215 1 238 . 1 1 23 23 ARG CD C 13 43.557 0.1 . 1 . . . . 23 ARG CD . 15215 1 239 . 1 1 23 23 ARG N N 15 120.206 0.1 . 1 . . . . 23 ARG N . 15215 1 240 . 1 1 24 24 ILE H H 1 8.008 0.020 . 1 . . . . 24 ILE H . 15215 1 241 . 1 1 24 24 ILE HA H 1 4.297 0.020 . 1 . . . . 24 ILE HA . 15215 1 242 . 1 1 24 24 ILE HB H 1 1.771 0.020 . 1 . . . . 24 ILE HB . 15215 1 243 . 1 1 24 24 ILE HG12 H 1 1.642 0.020 . 2 . . . . 24 ILE HG12 . 15215 1 244 . 1 1 24 24 ILE HG13 H 1 1.073 0.020 . 2 . . . . 24 ILE HG13 . 15215 1 245 . 1 1 24 24 ILE HG21 H 1 0.913 0.020 . 1 . . . . 24 ILE QG2 . 15215 1 246 . 1 1 24 24 ILE HG22 H 1 0.913 0.020 . 1 . . . . 24 ILE QG2 . 15215 1 247 . 1 1 24 24 ILE HG23 H 1 0.913 0.020 . 1 . . . . 24 ILE QG2 . 15215 1 248 . 1 1 24 24 ILE HD11 H 1 0.852 0.020 . 1 . . . . 24 ILE QD1 . 15215 1 249 . 1 1 24 24 ILE HD12 H 1 0.852 0.020 . 1 . . . . 24 ILE QD1 . 15215 1 250 . 1 1 24 24 ILE HD13 H 1 0.852 0.020 . 1 . . . . 24 ILE QD1 . 15215 1 251 . 1 1 24 24 ILE C C 13 175.858 0.1 . 1 . . . . 24 ILE C . 15215 1 252 . 1 1 24 24 ILE CA C 13 62.252 0.1 . 1 . . . . 24 ILE CA . 15215 1 253 . 1 1 24 24 ILE CB C 13 39.279 0.1 . 1 . . . . 24 ILE CB . 15215 1 254 . 1 1 24 24 ILE CG1 C 13 28.600 0.1 . 1 . . . . 24 ILE CG1 . 15215 1 255 . 1 1 24 24 ILE CG2 C 13 17.590 0.1 . 1 . . . . 24 ILE CG2 . 15215 1 256 . 1 1 24 24 ILE CD1 C 13 14.047 0.1 . 1 . . . . 24 ILE CD1 . 15215 1 257 . 1 1 24 24 ILE N N 15 120.553 0.1 . 1 . . . . 24 ILE N . 15215 1 258 . 1 1 25 25 LYS H H 1 8.373 0.020 . 1 . . . . 25 LYS H . 15215 1 259 . 1 1 25 25 LYS HA H 1 4.644 0.020 . 1 . . . . 25 LYS HA . 15215 1 260 . 1 1 25 25 LYS HB2 H 1 1.691 0.020 . 1 . . . . 25 LYS HB2 . 15215 1 261 . 1 1 25 25 LYS HB3 H 1 1.691 0.020 . 1 . . . . 25 LYS HB3 . 15215 1 262 . 1 1 25 25 LYS HG2 H 1 0.846 0.020 . 1 . . . . 25 LYS HG2 . 15215 1 263 . 1 1 25 25 LYS HG3 H 1 0.846 0.020 . 1 . . . . 25 LYS HG3 . 15215 1 264 . 1 1 25 25 LYS HD2 H 1 1.639 0.020 . 1 . . . . 25 LYS HD2 . 15215 1 265 . 1 1 25 25 LYS HD3 H 1 1.639 0.020 . 1 . . . . 25 LYS HD3 . 15215 1 266 . 1 1 25 25 LYS HE2 H 1 2.906 0.020 . 1 . . . . 25 LYS HE2 . 15215 1 267 . 1 1 25 25 LYS HE3 H 1 2.906 0.020 . 1 . . . . 25 LYS HE3 . 15215 1 268 . 1 1 25 25 LYS C C 13 174.875 0.1 . 1 . . . . 25 LYS C . 15215 1 269 . 1 1 25 25 LYS CA C 13 54.882 0.1 . 1 . . . . 25 LYS CA . 15215 1 270 . 1 1 25 25 LYS CB C 13 35.720 0.1 . 1 . . . . 25 LYS CB . 15215 1 271 . 1 1 25 25 LYS CG C 13 24.791 0.1 . 1 . . . . 25 LYS CG . 15215 1 272 . 1 1 25 25 LYS CD C 13 28.997 0.1 . 1 . . . . 25 LYS CD . 15215 1 273 . 1 1 25 25 LYS CE C 13 41.939 0.1 . 1 . . . . 25 LYS CE . 15215 1 274 . 1 1 25 25 LYS N N 15 127.119 0.1 . 1 . . . . 25 LYS N . 15215 1 275 . 1 1 26 26 THR H H 1 7.969 0.020 . 1 . . . . 26 THR H . 15215 1 276 . 1 1 26 26 THR HA H 1 5.299 0.020 . 1 . . . . 26 THR HA . 15215 1 277 . 1 1 26 26 THR HB H 1 3.657 0.020 . 1 . . . . 26 THR HB . 15215 1 278 . 1 1 26 26 THR HG21 H 1 0.754 0.020 . 1 . . . . 26 THR QG2 . 15215 1 279 . 1 1 26 26 THR HG22 H 1 0.754 0.020 . 1 . . . . 26 THR QG2 . 15215 1 280 . 1 1 26 26 THR HG23 H 1 0.754 0.020 . 1 . . . . 26 THR QG2 . 15215 1 281 . 1 1 26 26 THR C C 13 173.550 0.1 . 1 . . . . 26 THR C . 15215 1 282 . 1 1 26 26 THR CA C 13 60.382 0.1 . 1 . . . . 26 THR CA . 15215 1 283 . 1 1 26 26 THR CB C 13 71.610 0.1 . 1 . . . . 26 THR CB . 15215 1 284 . 1 1 26 26 THR CG2 C 13 22.090 0.1 . 1 . . . . 26 THR CG2 . 15215 1 285 . 1 1 26 26 THR N N 15 115.385 0.1 . 1 . . . . 26 THR N . 15215 1 286 . 1 1 27 27 TYR H H 1 8.851 0.020 . 1 . . . . 27 TYR H . 15215 1 287 . 1 1 27 27 TYR HA H 1 4.797 0.020 . 1 . . . . 27 TYR HA . 15215 1 288 . 1 1 27 27 TYR HB2 H 1 2.833 0.020 . 2 . . . . 27 TYR HB2 . 15215 1 289 . 1 1 27 27 TYR HB3 H 1 2.556 0.020 . 2 . . . . 27 TYR HB3 . 15215 1 290 . 1 1 27 27 TYR HD1 H 1 6.873 0.020 . 1 . . . . 27 TYR HD1 . 15215 1 291 . 1 1 27 27 TYR HD2 H 1 6.873 0.020 . 1 . . . . 27 TYR HD2 . 15215 1 292 . 1 1 27 27 TYR HE1 H 1 6.643 0.020 . 1 . . . . 27 TYR HE1 . 15215 1 293 . 1 1 27 27 TYR HE2 H 1 6.643 0.020 . 1 . . . . 27 TYR HE2 . 15215 1 294 . 1 1 27 27 TYR C C 13 174.350 0.1 . 1 . . . . 27 TYR C . 15215 1 295 . 1 1 27 27 TYR CA C 13 57.075 0.1 . 1 . . . . 27 TYR CA . 15215 1 296 . 1 1 27 27 TYR CB C 13 41.939 0.1 . 1 . . . . 27 TYR CB . 15215 1 297 . 1 1 27 27 TYR CD1 C 13 133.121 0.1 . 1 . . . . 27 TYR CD1 . 15215 1 298 . 1 1 27 27 TYR CE1 C 13 118.303 0.1 . 1 . . . . 27 TYR CE1 . 15215 1 299 . 1 1 27 27 TYR N N 15 123.550 0.1 . 1 . . . . 27 TYR N . 15215 1 300 . 1 1 28 28 THR H H 1 8.440 0.020 . 1 . . . . 28 THR H . 15215 1 301 . 1 1 28 28 THR HA H 1 4.927 0.020 . 1 . . . . 28 THR HA . 15215 1 302 . 1 1 28 28 THR HB H 1 3.882 0.020 . 1 . . . . 28 THR HB . 15215 1 303 . 1 1 28 28 THR HG21 H 1 0.989 0.020 . 1 . . . . 28 THR QG2 . 15215 1 304 . 1 1 28 28 THR HG22 H 1 0.989 0.020 . 1 . . . . 28 THR QG2 . 15215 1 305 . 1 1 28 28 THR HG23 H 1 0.989 0.020 . 1 . . . . 28 THR QG2 . 15215 1 306 . 1 1 28 28 THR C C 13 173.550 0.1 . 1 . . . . 28 THR C . 15215 1 307 . 1 1 28 28 THR CA C 13 61.621 0.1 . 1 . . . . 28 THR CA . 15215 1 308 . 1 1 28 28 THR CB C 13 70.658 0.1 . 1 . . . . 28 THR CB . 15215 1 309 . 1 1 28 28 THR CG2 C 13 21.561 0.1 . 1 . . . . 28 THR CG2 . 15215 1 310 . 1 1 28 28 THR N N 15 116.878 0.1 . 1 . . . . 28 THR N . 15215 1 311 . 1 1 29 29 ILE H H 1 8.854 0.020 . 1 . . . . 29 ILE H . 15215 1 312 . 1 1 29 29 ILE HA H 1 4.245 0.020 . 1 . . . . 29 ILE HA . 15215 1 313 . 1 1 29 29 ILE HB H 1 1.392 0.020 . 1 . . . . 29 ILE HB . 15215 1 314 . 1 1 29 29 ILE HG12 H 1 1.129 0.020 . 2 . . . . 29 ILE HG12 . 15215 1 315 . 1 1 29 29 ILE HG13 H 1 0.650 0.020 . 2 . . . . 29 ILE HG13 . 15215 1 316 . 1 1 29 29 ILE HG21 H 1 0.470 0.020 . 1 . . . . 29 ILE QG2 . 15215 1 317 . 1 1 29 29 ILE HG22 H 1 0.470 0.020 . 1 . . . . 29 ILE QG2 . 15215 1 318 . 1 1 29 29 ILE HG23 H 1 0.470 0.020 . 1 . . . . 29 ILE QG2 . 15215 1 319 . 1 1 29 29 ILE HD11 H 1 0.347 0.020 . 1 . . . . 29 ILE QD1 . 15215 1 320 . 1 1 29 29 ILE HD12 H 1 0.347 0.020 . 1 . . . . 29 ILE QD1 . 15215 1 321 . 1 1 29 29 ILE HD13 H 1 0.347 0.020 . 1 . . . . 29 ILE QD1 . 15215 1 322 . 1 1 29 29 ILE C C 13 174.464 0.1 . 1 . . . . 29 ILE C . 15215 1 323 . 1 1 29 29 ILE CA C 13 60.310 0.1 . 1 . . . . 29 ILE CA . 15215 1 324 . 1 1 29 29 ILE CB C 13 41.544 0.1 . 1 . . . . 29 ILE CB . 15215 1 325 . 1 1 29 29 ILE CG1 C 13 27.307 0.1 . 1 . . . . 29 ILE CG1 . 15215 1 326 . 1 1 29 29 ILE CG2 C 13 17.606 0.1 . 1 . . . . 29 ILE CG2 . 15215 1 327 . 1 1 29 29 ILE CD1 C 13 14.090 0.1 . 1 . . . . 29 ILE CD1 . 15215 1 328 . 1 1 29 29 ILE N N 15 125.787 0.1 . 1 . . . . 29 ILE N . 15215 1 329 . 1 1 30 30 THR H H 1 8.375 0.020 . 1 . . . . 30 THR H . 15215 1 330 . 1 1 30 30 THR HA H 1 5.023 0.020 . 1 . . . . 30 THR HA . 15215 1 331 . 1 1 30 30 THR HB H 1 4.001 0.020 . 1 . . . . 30 THR HB . 15215 1 332 . 1 1 30 30 THR HG21 H 1 1.073 0.020 . 1 . . . . 30 THR QG2 . 15215 1 333 . 1 1 30 30 THR HG22 H 1 1.073 0.020 . 1 . . . . 30 THR QG2 . 15215 1 334 . 1 1 30 30 THR HG23 H 1 1.073 0.020 . 1 . . . . 30 THR QG2 . 15215 1 335 . 1 1 30 30 THR C C 13 173.916 0.1 . 1 . . . . 30 THR C . 15215 1 336 . 1 1 30 30 THR CA C 13 60.444 0.1 . 1 . . . . 30 THR CA . 15215 1 337 . 1 1 30 30 THR CB C 13 70.982 0.1 . 1 . . . . 30 THR CB . 15215 1 338 . 1 1 30 30 THR CG2 C 13 21.884 0.1 . 1 . . . . 30 THR CG2 . 15215 1 339 . 1 1 30 30 THR N N 15 120.267 0.1 . 1 . . . . 30 THR N . 15215 1 340 . 1 1 31 31 GLU H H 1 8.482 0.020 . 1 . . . . 31 GLU H . 15215 1 341 . 1 1 31 31 GLU HA H 1 4.545 0.020 . 1 . . . . 31 GLU HA . 15215 1 342 . 1 1 31 31 GLU HB2 H 1 1.858 0.020 . 1 . . . . 31 GLU HB2 . 15215 1 343 . 1 1 31 31 GLU HB3 H 1 1.858 0.020 . 1 . . . . 31 GLU HB3 . 15215 1 344 . 1 1 31 31 GLU HG2 H 1 2.154 0.020 . 2 . . . . 31 GLU HG2 . 15215 1 345 . 1 1 31 31 GLU HG3 H 1 2.015 0.020 . 2 . . . . 31 GLU HG3 . 15215 1 346 . 1 1 31 31 GLU C C 13 175.584 0.1 . 1 . . . . 31 GLU C . 15215 1 347 . 1 1 31 31 GLU CA C 13 54.876 0.1 . 1 . . . . 31 GLU CA . 15215 1 348 . 1 1 31 31 GLU CB C 13 31.262 0.1 . 1 . . . . 31 GLU CB . 15215 1 349 . 1 1 31 31 GLU CG C 13 35.792 0.1 . 1 . . . . 31 GLU CG . 15215 1 350 . 1 1 31 31 GLU N N 15 126.489 0.1 . 1 . . . . 31 GLU N . 15215 1 351 . 1 1 32 32 GLY H H 1 8.907 0.020 . 1 . . . . 32 GLY H . 15215 1 352 . 1 1 32 32 GLY HA2 H 1 3.967 0.020 . 2 . . . . 32 GLY HA2 . 15215 1 353 . 1 1 32 32 GLY HA3 H 1 3.636 0.020 . 2 . . . . 32 GLY HA3 . 15215 1 354 . 1 1 32 32 GLY C C 13 174.921 0.1 . 1 . . . . 32 GLY C . 15215 1 355 . 1 1 32 32 GLY CA C 13 47.690 0.1 . 1 . . . . 32 GLY CA . 15215 1 356 . 1 1 32 32 GLY N N 15 116.180 0.1 . 1 . . . . 32 GLY N . 15215 1 357 . 1 1 33 33 SER H H 1 8.531 0.020 . 1 . . . . 33 SER H . 15215 1 358 . 1 1 33 33 SER HA H 1 4.333 0.020 . 1 . . . . 33 SER HA . 15215 1 359 . 1 1 33 33 SER C C 13 173.482 0.1 . 1 . . . . 33 SER C . 15215 1 360 . 1 1 33 33 SER CA C 13 59.340 0.1 . 1 . . . . 33 SER CA . 15215 1 361 . 1 1 33 33 SER CB C 13 62.228 0.1 . 1 . . . . 33 SER CB . 15215 1 362 . 1 1 33 33 SER N N 15 121.325 0.1 . 1 . . . . 33 SER N . 15215 1 363 . 1 1 34 34 LEU H H 1 8.080 0.020 . 1 . . . . 34 LEU H . 15215 1 364 . 1 1 34 34 LEU HA H 1 4.472 0.020 . 1 . . . . 34 LEU HA . 15215 1 365 . 1 1 34 34 LEU HB2 H 1 2.067 0.020 . 2 . . . . 34 LEU HB2 . 15215 1 366 . 1 1 34 34 LEU HB3 H 1 1.443 0.020 . 2 . . . . 34 LEU HB3 . 15215 1 367 . 1 1 34 34 LEU HG H 1 0.782 0.020 . 1 . . . . 34 LEU HG . 15215 1 368 . 1 1 34 34 LEU HD11 H 1 0.851 0.020 . 2 . . . . 34 LEU QD1 . 15215 1 369 . 1 1 34 34 LEU HD12 H 1 0.851 0.020 . 2 . . . . 34 LEU QD1 . 15215 1 370 . 1 1 34 34 LEU HD13 H 1 0.851 0.020 . 2 . . . . 34 LEU QD1 . 15215 1 371 . 1 1 34 34 LEU HD21 H 1 0.825 0.020 . 2 . . . . 34 LEU QD2 . 15215 1 372 . 1 1 34 34 LEU HD22 H 1 0.825 0.020 . 2 . . . . 34 LEU QD2 . 15215 1 373 . 1 1 34 34 LEU HD23 H 1 0.825 0.020 . 2 . . . . 34 LEU QD2 . 15215 1 374 . 1 1 34 34 LEU C C 13 174.761 0.1 . 1 . . . . 34 LEU C . 15215 1 375 . 1 1 34 34 LEU CA C 13 54.882 0.1 . 1 . . . . 34 LEU CA . 15215 1 376 . 1 1 34 34 LEU CB C 13 43.485 0.1 . 1 . . . . 34 LEU CB . 15215 1 377 . 1 1 34 34 LEU CG C 13 26.408 0.1 . 1 . . . . 34 LEU CG . 15215 1 378 . 1 1 34 34 LEU CD1 C 13 24.467 0.1 . 1 . . . . 34 LEU CD1 . 15215 1 379 . 1 1 34 34 LEU CD2 C 13 24.719 0.1 . 1 . . . . 34 LEU CD2 . 15215 1 380 . 1 1 34 34 LEU N N 15 124.562 0.1 . 1 . . . . 34 LEU N . 15215 1 381 . 1 1 35 35 ARG H H 1 8.217 0.020 . 1 . . . . 35 ARG H . 15215 1 382 . 1 1 35 35 ARG HA H 1 5.047 0.020 . 1 . . . . 35 ARG HA . 15215 1 383 . 1 1 35 35 ARG HB2 H 1 1.726 0.020 . 2 . . . . 35 ARG HB2 . 15215 1 384 . 1 1 35 35 ARG HB3 H 1 1.594 0.020 . 2 . . . . 35 ARG HB3 . 15215 1 385 . 1 1 35 35 ARG HG2 H 1 1.456 0.020 . 2 . . . . 35 ARG HG2 . 15215 1 386 . 1 1 35 35 ARG HG3 H 1 1.361 0.020 . 2 . . . . 35 ARG HG3 . 15215 1 387 . 1 1 35 35 ARG HD2 H 1 3.042 0.020 . 1 . . . . 35 ARG HD2 . 15215 1 388 . 1 1 35 35 ARG HD3 H 1 3.042 0.020 . 1 . . . . 35 ARG HD3 . 15215 1 389 . 1 1 35 35 ARG C C 13 174.281 0.1 . 1 . . . . 35 ARG C . 15215 1 390 . 1 1 35 35 ARG CA C 13 54.985 0.1 . 1 . . . . 35 ARG CA . 15215 1 391 . 1 1 35 35 ARG CB C 13 32.484 0.1 . 1 . . . . 35 ARG CB . 15215 1 392 . 1 1 35 35 ARG CG C 13 27.631 0.1 . 1 . . . . 35 ARG CG . 15215 1 393 . 1 1 35 35 ARG CD C 13 43.485 0.1 . 1 . . . . 35 ARG CD . 15215 1 394 . 1 1 35 35 ARG N N 15 126.833 0.1 . 1 . . . . 35 ARG N . 15215 1 395 . 1 1 36 36 ALA H H 1 9.031 0.020 . 1 . . . . 36 ALA H . 15215 1 396 . 1 1 36 36 ALA HA H 1 5.238 0.020 . 1 . . . . 36 ALA HA . 15215 1 397 . 1 1 36 36 ALA HB1 H 1 1.045 0.020 . 1 . . . . 36 ALA QB . 15215 1 398 . 1 1 36 36 ALA HB2 H 1 1.045 0.020 . 1 . . . . 36 ALA QB . 15215 1 399 . 1 1 36 36 ALA HB3 H 1 1.045 0.020 . 1 . . . . 36 ALA QB . 15215 1 400 . 1 1 36 36 ALA C C 13 174.875 0.1 . 1 . . . . 36 ALA C . 15215 1 401 . 1 1 36 36 ALA CA C 13 50.280 0.1 . 1 . . . . 36 ALA CA . 15215 1 402 . 1 1 36 36 ALA CB C 13 21.489 0.1 . 1 . . . . 36 ALA CB . 15215 1 403 . 1 1 36 36 ALA N N 15 126.943 0.1 . 1 . . . . 36 ALA N . 15215 1 404 . 1 1 37 37 VAL H H 1 8.770 0.020 . 1 . . . . 37 VAL H . 15215 1 405 . 1 1 37 37 VAL HA H 1 4.640 0.020 . 1 . . . . 37 VAL HA . 15215 1 406 . 1 1 37 37 VAL HB H 1 1.554 0.020 . 1 . . . . 37 VAL HB . 15215 1 407 . 1 1 37 37 VAL HG11 H 1 0.605 0.020 . 2 . . . . 37 VAL QG1 . 15215 1 408 . 1 1 37 37 VAL HG12 H 1 0.605 0.020 . 2 . . . . 37 VAL QG1 . 15215 1 409 . 1 1 37 37 VAL HG13 H 1 0.605 0.020 . 2 . . . . 37 VAL QG1 . 15215 1 410 . 1 1 37 37 VAL HG21 H 1 0.305 0.020 . 2 . . . . 37 VAL QG2 . 15215 1 411 . 1 1 37 37 VAL HG22 H 1 0.305 0.020 . 2 . . . . 37 VAL QG2 . 15215 1 412 . 1 1 37 37 VAL HG23 H 1 0.305 0.020 . 2 . . . . 37 VAL QG2 . 15215 1 413 . 1 1 37 37 VAL C C 13 173.482 0.1 . 1 . . . . 37 VAL C . 15215 1 414 . 1 1 37 37 VAL CA C 13 61.281 0.1 . 1 . . . . 37 VAL CA . 15215 1 415 . 1 1 37 37 VAL CB C 13 34.749 0.1 . 1 . . . . 37 VAL CB . 15215 1 416 . 1 1 37 37 VAL CG1 C 13 21.479 0.1 . 1 . . . . 37 VAL CG1 . 15215 1 417 . 1 1 37 37 VAL CG2 C 13 21.813 0.1 . 1 . . . . 37 VAL CG2 . 15215 1 418 . 1 1 37 37 VAL N N 15 120.696 0.1 . 1 . . . . 37 VAL N . 15215 1 419 . 1 1 38 38 ILE H H 1 8.933 0.020 . 1 . . . . 38 ILE H . 15215 1 420 . 1 1 38 38 ILE HA H 1 4.776 0.020 . 1 . . . . 38 ILE HA . 15215 1 421 . 1 1 38 38 ILE HB H 1 1.736 0.020 . 1 . . . . 38 ILE HB . 15215 1 422 . 1 1 38 38 ILE HG12 H 1 1.396 0.020 . 2 . . . . 38 ILE HG12 . 15215 1 423 . 1 1 38 38 ILE HG13 H 1 1.004 0.020 . 2 . . . . 38 ILE HG13 . 15215 1 424 . 1 1 38 38 ILE HG21 H 1 0.742 0.020 . 1 . . . . 38 ILE QG2 . 15215 1 425 . 1 1 38 38 ILE HG22 H 1 0.742 0.020 . 1 . . . . 38 ILE QG2 . 15215 1 426 . 1 1 38 38 ILE HG23 H 1 0.742 0.020 . 1 . . . . 38 ILE QG2 . 15215 1 427 . 1 1 38 38 ILE HD11 H 1 0.622 0.020 . 1 . . . . 38 ILE QD1 . 15215 1 428 . 1 1 38 38 ILE HD12 H 1 0.622 0.020 . 1 . . . . 38 ILE QD1 . 15215 1 429 . 1 1 38 38 ILE HD13 H 1 0.622 0.020 . 1 . . . . 38 ILE QD1 . 15215 1 430 . 1 1 38 38 ILE C C 13 174.236 0.1 . 1 . . . . 38 ILE C . 15215 1 431 . 1 1 38 38 ILE CA C 13 60.310 0.1 . 1 . . . . 38 ILE CA . 15215 1 432 . 1 1 38 38 ILE CB C 13 40.249 0.1 . 1 . . . . 38 ILE CB . 15215 1 433 . 1 1 38 38 ILE CG1 C 13 29.572 0.1 . 1 . . . . 38 ILE CG1 . 15215 1 434 . 1 1 38 38 ILE CG2 C 13 18.900 0.1 . 1 . . . . 38 ILE CG2 . 15215 1 435 . 1 1 38 38 ILE CD1 C 13 15.018 0.1 . 1 . . . . 38 ILE CD1 . 15215 1 436 . 1 1 38 38 ILE N N 15 126.405 0.1 . 1 . . . . 38 ILE N . 15215 1 437 . 1 1 39 39 PHE H H 1 9.538 0.020 . 1 . . . . 39 PHE H . 15215 1 438 . 1 1 39 39 PHE HA H 1 5.248 0.020 . 1 . . . . 39 PHE HA . 15215 1 439 . 1 1 39 39 PHE HB2 H 1 3.003 0.020 . 2 . . . . 39 PHE HB2 . 15215 1 440 . 1 1 39 39 PHE HB3 H 1 2.778 0.020 . 2 . . . . 39 PHE HB3 . 15215 1 441 . 1 1 39 39 PHE HD1 H 1 7.061 0.020 . 1 . . . . 39 PHE HD1 . 15215 1 442 . 1 1 39 39 PHE HD2 H 1 7.061 0.020 . 1 . . . . 39 PHE HD2 . 15215 1 443 . 1 1 39 39 PHE HE1 H 1 7.102 0.020 . 1 . . . . 39 PHE HE1 . 15215 1 444 . 1 1 39 39 PHE HE2 H 1 7.102 0.020 . 1 . . . . 39 PHE HE2 . 15215 1 445 . 1 1 39 39 PHE C C 13 175.401 0.1 . 1 . . . . 39 PHE C . 15215 1 446 . 1 1 39 39 PHE CA C 13 56.200 0.1 . 1 . . . . 39 PHE CA . 15215 1 447 . 1 1 39 39 PHE CB C 13 41.544 0.1 . 1 . . . . 39 PHE CB . 15215 1 448 . 1 1 39 39 PHE CD1 C 13 132.635 0.1 . 1 . . . . 39 PHE CD1 . 15215 1 449 . 1 1 39 39 PHE CE1 C 13 132.118 0.1 . 1 . . . . 39 PHE CE1 . 15215 1 450 . 1 1 39 39 PHE N N 15 124.549 0.1 . 1 . . . . 39 PHE N . 15215 1 451 . 1 1 40 40 ILE H H 1 9.235 0.020 . 1 . . . . 40 ILE H . 15215 1 452 . 1 1 40 40 ILE HA H 1 4.597 0.020 . 1 . . . . 40 ILE HA . 15215 1 453 . 1 1 40 40 ILE HB H 1 1.960 0.020 . 1 . . . . 40 ILE HB . 15215 1 454 . 1 1 40 40 ILE HG12 H 1 1.576 0.020 . 2 . . . . 40 ILE HG12 . 15215 1 455 . 1 1 40 40 ILE HG13 H 1 1.071 0.020 . 2 . . . . 40 ILE HG13 . 15215 1 456 . 1 1 40 40 ILE HG21 H 1 0.871 0.020 . 1 . . . . 40 ILE QG2 . 15215 1 457 . 1 1 40 40 ILE HG22 H 1 0.871 0.020 . 1 . . . . 40 ILE QG2 . 15215 1 458 . 1 1 40 40 ILE HG23 H 1 0.871 0.020 . 1 . . . . 40 ILE QG2 . 15215 1 459 . 1 1 40 40 ILE HD11 H 1 0.768 0.020 . 1 . . . . 40 ILE QD1 . 15215 1 460 . 1 1 40 40 ILE HD12 H 1 0.768 0.020 . 1 . . . . 40 ILE QD1 . 15215 1 461 . 1 1 40 40 ILE HD13 H 1 0.768 0.020 . 1 . . . . 40 ILE QD1 . 15215 1 462 . 1 1 40 40 ILE C C 13 174.967 0.1 . 1 . . . . 40 ILE C . 15215 1 463 . 1 1 40 40 ILE CA C 13 61.353 0.1 . 1 . . . . 40 ILE CA . 15215 1 464 . 1 1 40 40 ILE CB C 13 38.632 0.1 . 1 . . . . 40 ILE CB . 15215 1 465 . 1 1 40 40 ILE CG1 C 13 28.220 0.1 . 1 . . . . 40 ILE CG1 . 15215 1 466 . 1 1 40 40 ILE CG2 C 13 18.325 0.1 . 1 . . . . 40 ILE CG2 . 15215 1 467 . 1 1 40 40 ILE CD1 C 13 13.723 0.1 . 1 . . . . 40 ILE CD1 . 15215 1 468 . 1 1 40 40 ILE N N 15 124.385 0.1 . 1 . . . . 40 ILE N . 15215 1 469 . 1 1 41 41 THR H H 1 8.422 0.020 . 1 . . . . 41 THR H . 15215 1 470 . 1 1 41 41 THR HA H 1 4.885 0.020 . 1 . . . . 41 THR HA . 15215 1 471 . 1 1 41 41 THR HB H 1 4.588 0.020 . 1 . . . . 41 THR HB . 15215 1 472 . 1 1 41 41 THR HG21 H 1 1.153 0.020 . 1 . . . . 41 THR QG2 . 15215 1 473 . 1 1 41 41 THR HG22 H 1 1.153 0.020 . 1 . . . . 41 THR QG2 . 15215 1 474 . 1 1 41 41 THR HG23 H 1 1.153 0.020 . 1 . . . . 41 THR QG2 . 15215 1 475 . 1 1 41 41 THR C C 13 174.258 0.1 . 1 . . . . 41 THR C . 15215 1 476 . 1 1 41 41 THR CA C 13 59.441 0.1 . 1 . . . . 41 THR CA . 15215 1 477 . 1 1 41 41 THR CG2 C 13 20.914 0.1 . 1 . . . . 41 THR CG2 . 15215 1 478 . 1 1 41 41 THR N N 15 116.557 0.1 . 1 . . . . 41 THR N . 15215 1 479 . 1 1 42 42 LYS H H 1 8.565 0.020 . 1 . . . . 42 LYS H . 15215 1 480 . 1 1 42 42 LYS HA H 1 4.537 0.020 . 1 . . . . 42 LYS HA . 15215 1 481 . 1 1 42 42 LYS HB2 H 1 1.711 0.020 . 1 . . . . 42 LYS HB2 . 15215 1 482 . 1 1 42 42 LYS HB3 H 1 1.711 0.020 . 1 . . . . 42 LYS HB3 . 15215 1 483 . 1 1 42 42 LYS HD2 H 1 1.506 0.020 . 1 . . . . 42 LYS HD2 . 15215 1 484 . 1 1 42 42 LYS HD3 H 1 1.506 0.020 . 1 . . . . 42 LYS HD3 . 15215 1 485 . 1 1 42 42 LYS C C 13 176.909 0.1 . 1 . . . . 42 LYS C . 15215 1 486 . 1 1 42 42 LYS CA C 13 58.952 0.1 . 1 . . . . 42 LYS CA . 15215 1 487 . 1 1 42 42 LYS CB C 13 32.831 0.1 . 1 . . . . 42 LYS CB . 15215 1 488 . 1 1 42 42 LYS CG C 13 25.239 0.1 . 1 . . . . 42 LYS CG . 15215 1 489 . 1 1 42 42 LYS CE C 13 42.281 0.1 . 1 . . . . 42 LYS CE . 15215 1 490 . 1 1 42 42 LYS N N 15 116.233 0.1 . 1 . . . . 42 LYS N . 15215 1 491 . 1 1 43 43 ARG H H 1 7.651 0.020 . 1 . . . . 43 ARG H . 15215 1 492 . 1 1 43 43 ARG HA H 1 4.527 0.020 . 1 . . . . 43 ARG HA . 15215 1 493 . 1 1 43 43 ARG HB2 H 1 2.036 0.020 . 2 . . . . 43 ARG HB2 . 15215 1 494 . 1 1 43 43 ARG HB3 H 1 1.515 0.020 . 2 . . . . 43 ARG HB3 . 15215 1 495 . 1 1 43 43 ARG HG2 H 1 1.614 0.020 . 2 . . . . 43 ARG HG2 . 15215 1 496 . 1 1 43 43 ARG HG3 H 1 1.512 0.020 . 2 . . . . 43 ARG HG3 . 15215 1 497 . 1 1 43 43 ARG HD2 H 1 3.175 0.020 . 1 . . . . 43 ARG HD2 . 15215 1 498 . 1 1 43 43 ARG HD3 H 1 3.175 0.020 . 1 . . . . 43 ARG HD3 . 15215 1 499 . 1 1 43 43 ARG C C 13 175.698 0.1 . 1 . . . . 43 ARG C . 15215 1 500 . 1 1 43 43 ARG CA C 13 55.332 0.1 . 1 . . . . 43 ARG CA . 15215 1 501 . 1 1 43 43 ARG CB C 13 31.514 0.1 . 1 . . . . 43 ARG CB . 15215 1 502 . 1 1 43 43 ARG CG C 13 27.703 0.1 . 1 . . . . 43 ARG CG . 15215 1 503 . 1 1 43 43 ARG CD C 13 43.234 0.1 . 1 . . . . 43 ARG CD . 15215 1 504 . 1 1 43 43 ARG N N 15 113.920 0.1 . 1 . . . . 43 ARG N . 15215 1 505 . 1 1 44 44 GLY H H 1 7.375 0.020 . 1 . . . . 44 GLY H . 15215 1 506 . 1 1 44 44 GLY HA2 H 1 4.875 0.020 . 2 . . . . 44 GLY HA2 . 15215 1 507 . 1 1 44 44 GLY HA3 H 1 3.814 0.020 . 2 . . . . 44 GLY HA3 . 15215 1 508 . 1 1 44 44 GLY C C 13 172.202 0.1 . 1 . . . . 44 GLY C . 15215 1 509 . 1 1 44 44 GLY CA C 13 45.822 0.1 . 1 . . . . 44 GLY CA . 15215 1 510 . 1 1 44 44 GLY N N 15 107.335 0.1 . 1 . . . . 44 GLY N . 15215 1 511 . 1 1 45 45 LEU H H 1 8.290 0.020 . 1 . . . . 45 LEU H . 15215 1 512 . 1 1 45 45 LEU HA H 1 5.401 0.020 . 1 . . . . 45 LEU HA . 15215 1 513 . 1 1 45 45 LEU HB2 H 1 1.503 0.020 . 1 . . . . 45 LEU HB2 . 15215 1 514 . 1 1 45 45 LEU HB3 H 1 1.503 0.020 . 1 . . . . 45 LEU HB3 . 15215 1 515 . 1 1 45 45 LEU HG H 1 1.603 0.020 . 1 . . . . 45 LEU HG . 15215 1 516 . 1 1 45 45 LEU HD11 H 1 0.727 0.020 . 2 . . . . 45 LEU QD1 . 15215 1 517 . 1 1 45 45 LEU HD12 H 1 0.727 0.020 . 2 . . . . 45 LEU QD1 . 15215 1 518 . 1 1 45 45 LEU HD13 H 1 0.727 0.020 . 2 . . . . 45 LEU QD1 . 15215 1 519 . 1 1 45 45 LEU HD21 H 1 0.703 0.020 . 2 . . . . 45 LEU QD2 . 15215 1 520 . 1 1 45 45 LEU HD22 H 1 0.703 0.020 . 2 . . . . 45 LEU QD2 . 15215 1 521 . 1 1 45 45 LEU HD23 H 1 0.703 0.020 . 2 . . . . 45 LEU QD2 . 15215 1 522 . 1 1 45 45 LEU C C 13 175.469 0.1 . 1 . . . . 45 LEU C . 15215 1 523 . 1 1 45 45 LEU CA C 13 54.163 0.1 . 1 . . . . 45 LEU CA . 15215 1 524 . 1 1 45 45 LEU CB C 13 46.400 0.1 . 1 . . . . 45 LEU CB . 15215 1 525 . 1 1 45 45 LEU CG C 13 27.954 0.1 . 1 . . . . 45 LEU CG . 15215 1 526 . 1 1 45 45 LEU CD1 C 13 26.000 0.1 . 1 . . . . 45 LEU CD1 . 15215 1 527 . 1 1 45 45 LEU CD2 C 13 26.660 0.1 . 1 . . . . 45 LEU CD2 . 15215 1 528 . 1 1 45 45 LEU N N 15 120.529 0.1 . 1 . . . . 45 LEU N . 15215 1 529 . 1 1 46 46 LYS H H 1 9.100 0.020 . 1 . . . . 46 LYS H . 15215 1 530 . 1 1 46 46 LYS HA H 1 5.241 0.020 . 1 . . . . 46 LYS HA . 15215 1 531 . 1 1 46 46 LYS HB2 H 1 1.782 0.020 . 1 . . . . 46 LYS HB2 . 15215 1 532 . 1 1 46 46 LYS HB3 H 1 1.782 0.020 . 1 . . . . 46 LYS HB3 . 15215 1 533 . 1 1 46 46 LYS HG2 H 1 1.385 0.020 . 1 . . . . 46 LYS HG2 . 15215 1 534 . 1 1 46 46 LYS HG3 H 1 1.385 0.020 . 1 . . . . 46 LYS HG3 . 15215 1 535 . 1 1 46 46 LYS HD2 H 1 1.440 0.020 . 1 . . . . 46 LYS HD2 . 15215 1 536 . 1 1 46 46 LYS HD3 H 1 1.440 0.020 . 1 . . . . 46 LYS HD3 . 15215 1 537 . 1 1 46 46 LYS HE2 H 1 2.632 0.020 . 1 . . . . 46 LYS HE2 . 15215 1 538 . 1 1 46 46 LYS HE3 H 1 2.632 0.020 . 1 . . . . 46 LYS HE3 . 15215 1 539 . 1 1 46 46 LYS C C 13 174.144 0.1 . 1 . . . . 46 LYS C . 15215 1 540 . 1 1 46 46 LYS CA C 13 55.529 0.1 . 1 . . . . 46 LYS CA . 15215 1 541 . 1 1 46 46 LYS CB C 13 36.367 0.1 . 1 . . . . 46 LYS CB . 15215 1 542 . 1 1 46 46 LYS CG C 13 25.438 0.1 . 1 . . . . 46 LYS CG . 15215 1 543 . 1 1 46 46 LYS CD C 13 29.896 0.1 . 1 . . . . 46 LYS CD . 15215 1 544 . 1 1 46 46 LYS CE C 13 41.939 0.1 . 1 . . . . 46 LYS CE . 15215 1 545 . 1 1 46 46 LYS N N 15 125.408 0.1 . 1 . . . . 46 LYS N . 15215 1 546 . 1 1 47 47 VAL H H 1 9.103 0.020 . 1 . . . . 47 VAL H . 15215 1 547 . 1 1 47 47 VAL HA H 1 5.149 0.020 . 1 . . . . 47 VAL HA . 15215 1 548 . 1 1 47 47 VAL HB H 1 1.903 0.020 . 1 . . . . 47 VAL HB . 15215 1 549 . 1 1 47 47 VAL HG11 H 1 0.849 0.020 . 2 . . . . 47 VAL QG1 . 15215 1 550 . 1 1 47 47 VAL HG12 H 1 0.849 0.020 . 2 . . . . 47 VAL QG1 . 15215 1 551 . 1 1 47 47 VAL HG13 H 1 0.849 0.020 . 2 . . . . 47 VAL QG1 . 15215 1 552 . 1 1 47 47 VAL HG21 H 1 0.764 0.020 . 2 . . . . 47 VAL QG2 . 15215 1 553 . 1 1 47 47 VAL HG22 H 1 0.764 0.020 . 2 . . . . 47 VAL QG2 . 15215 1 554 . 1 1 47 47 VAL HG23 H 1 0.764 0.020 . 2 . . . . 47 VAL QG2 . 15215 1 555 . 1 1 47 47 VAL C C 13 174.921 0.1 . 1 . . . . 47 VAL C . 15215 1 556 . 1 1 47 47 VAL CA C 13 60.957 0.1 . 1 . . . . 47 VAL CA . 15215 1 557 . 1 1 47 47 VAL CB C 13 34.426 0.1 . 1 . . . . 47 VAL CB . 15215 1 558 . 1 1 47 47 VAL CG1 C 13 21.489 0.1 . 1 . . . . 47 VAL CG1 . 15215 1 559 . 1 1 47 47 VAL CG2 C 13 20.914 0.1 . 1 . . . . 47 VAL CG2 . 15215 1 560 . 1 1 47 47 VAL N N 15 125.281 0.1 . 1 . . . . 47 VAL N . 15215 1 561 . 1 1 48 48 CYS H H 1 9.298 0.020 . 1 . . . . 48 CYS H . 15215 1 562 . 1 1 48 48 CYS HA H 1 5.863 0.020 . 1 . . . . 48 CYS HA . 15215 1 563 . 1 1 48 48 CYS HB2 H 1 2.952 0.020 . 1 . . . . 48 CYS HB2 . 15215 1 564 . 1 1 48 48 CYS HB3 H 1 2.952 0.020 . 1 . . . . 48 CYS HB3 . 15215 1 565 . 1 1 48 48 CYS C C 13 173.299 0.1 . 1 . . . . 48 CYS C . 15215 1 566 . 1 1 48 48 CYS CA C 13 55.100 0.1 . 1 . . . . 48 CYS CA . 15215 1 567 . 1 1 48 48 CYS CB C 13 48.662 0.1 . 1 . . . . 48 CYS CB . 15215 1 568 . 1 1 48 48 CYS N N 15 123.265 0.1 . 1 . . . . 48 CYS N . 15215 1 569 . 1 1 49 49 ALA H H 1 8.910 0.020 . 1 . . . . 49 ALA H . 15215 1 570 . 1 1 49 49 ALA HA H 1 4.960 0.020 . 1 . . . . 49 ALA HA . 15215 1 571 . 1 1 49 49 ALA HB1 H 1 1.323 0.020 . 1 . . . . 49 ALA QB . 15215 1 572 . 1 1 49 49 ALA HB2 H 1 1.323 0.020 . 1 . . . . 49 ALA QB . 15215 1 573 . 1 1 49 49 ALA HB3 H 1 1.323 0.020 . 1 . . . . 49 ALA QB . 15215 1 574 . 1 1 49 49 ALA C C 13 175.538 0.1 . 1 . . . . 49 ALA C . 15215 1 575 . 1 1 49 49 ALA CA C 13 51.600 0.1 . 1 . . . . 49 ALA CA . 15215 1 576 . 1 1 49 49 ALA CB C 13 22.136 0.1 . 1 . . . . 49 ALA CB . 15215 1 577 . 1 1 49 49 ALA N N 15 124.332 0.1 . 1 . . . . 49 ALA N . 15215 1 578 . 1 1 50 50 ASP H H 1 8.447 0.020 . 1 . . . . 50 ASP H . 15215 1 579 . 1 1 50 50 ASP HA H 1 5.038 0.020 . 1 . . . . 50 ASP HA . 15215 1 580 . 1 1 50 50 ASP HB2 H 1 2.809 0.020 . 2 . . . . 50 ASP HB2 . 15215 1 581 . 1 1 50 50 ASP HB3 H 1 2.547 0.020 . 2 . . . . 50 ASP HB3 . 15215 1 582 . 1 1 50 50 ASP CA C 13 52.500 0.1 . 1 . . . . 50 ASP CA . 15215 1 583 . 1 1 50 50 ASP CB C 13 42.191 0.1 . 1 . . . . 50 ASP CB . 15215 1 584 . 1 1 50 50 ASP N N 15 121.552 0.1 . 1 . . . . 50 ASP N . 15215 1 585 . 1 1 51 51 PRO HA H 1 4.502 0.020 . 1 . . . . 51 PRO HA . 15215 1 586 . 1 1 51 51 PRO HD2 H 1 3.828 0.020 . 2 . . . . 51 PRO HD2 . 15215 1 587 . 1 1 51 51 PRO HD3 H 1 3.735 0.020 . 2 . . . . 51 PRO HD3 . 15215 1 588 . 1 1 51 51 PRO C C 13 176.749 0.1 . 1 . . . . 51 PRO C . 15215 1 589 . 1 1 51 51 PRO CA C 13 63.546 0.1 . 1 . . . . 51 PRO CA . 15215 1 590 . 1 1 51 51 PRO CD C 13 50.927 0.1 . 1 . . . . 51 PRO CD . 15215 1 591 . 1 1 52 52 GLN H H 1 8.357 0.020 . 1 . . . . 52 GLN H . 15215 1 592 . 1 1 52 52 GLN HA H 1 4.232 0.020 . 1 . . . . 52 GLN HA . 15215 1 593 . 1 1 52 52 GLN HB2 H 1 1.923 0.020 . 1 . . . . 52 GLN HB2 . 15215 1 594 . 1 1 52 52 GLN HB3 H 1 1.923 0.020 . 1 . . . . 52 GLN HB3 . 15215 1 595 . 1 1 52 52 GLN HG2 H 1 2.268 0.020 . 1 . . . . 52 GLN HG2 . 15215 1 596 . 1 1 52 52 GLN HG3 H 1 2.268 0.020 . 1 . . . . 52 GLN HG3 . 15215 1 597 . 1 1 52 52 GLN C C 13 175.744 0.1 . 1 . . . . 52 GLN C . 15215 1 598 . 1 1 52 52 GLN CA C 13 55.852 0.1 . 1 . . . . 52 GLN CA . 15215 1 599 . 1 1 52 52 GLN CB C 13 29.320 0.1 . 1 . . . . 52 GLN CB . 15215 1 600 . 1 1 52 52 GLN CG C 13 34.174 0.1 . 1 . . . . 52 GLN CG . 15215 1 601 . 1 1 52 52 GLN N N 15 119.268 0.1 . 1 . . . . 52 GLN N . 15215 1 602 . 1 1 53 53 ALA H H 1 8.097 0.020 . 1 . . . . 53 ALA H . 15215 1 603 . 1 1 53 53 ALA HA H 1 4.213 0.020 . 1 . . . . 53 ALA HA . 15215 1 604 . 1 1 53 53 ALA HB1 H 1 1.257 0.020 . 1 . . . . 53 ALA QB . 15215 1 605 . 1 1 53 53 ALA HB2 H 1 1.257 0.020 . 1 . . . . 53 ALA QB . 15215 1 606 . 1 1 53 53 ALA HB3 H 1 1.257 0.020 . 1 . . . . 53 ALA QB . 15215 1 607 . 1 1 53 53 ALA C C 13 177.731 0.1 . 1 . . . . 53 ALA C . 15215 1 608 . 1 1 53 53 ALA CA C 13 52.868 0.1 . 1 . . . . 53 ALA CA . 15215 1 609 . 1 1 53 53 ALA CB C 13 19.224 0.1 . 1 . . . . 53 ALA CB . 15215 1 610 . 1 1 53 53 ALA N N 15 124.446 0.1 . 1 . . . . 53 ALA N . 15215 1 611 . 1 1 54 54 THR H H 1 7.987 0.020 . 1 . . . . 54 THR H . 15215 1 612 . 1 1 54 54 THR HA H 1 4.621 0.020 . 1 . . . . 54 THR HA . 15215 1 613 . 1 1 54 54 THR HB H 1 4.235 0.020 . 1 . . . . 54 THR HB . 15215 1 614 . 1 1 54 54 THR HG21 H 1 1.271 0.020 . 1 . . . . 54 THR QG2 . 15215 1 615 . 1 1 54 54 THR HG22 H 1 1.271 0.020 . 1 . . . . 54 THR QG2 . 15215 1 616 . 1 1 54 54 THR HG23 H 1 1.271 0.020 . 1 . . . . 54 THR QG2 . 15215 1 617 . 1 1 54 54 THR C C 13 174.396 0.1 . 1 . . . . 54 THR C . 15215 1 618 . 1 1 54 54 THR CA C 13 62.357 0.1 . 1 . . . . 54 THR CA . 15215 1 619 . 1 1 54 54 THR CB C 13 70.407 0.1 . 1 . . . . 54 THR CB . 15215 1 620 . 1 1 54 54 THR CG2 C 13 21.884 0.1 . 1 . . . . 54 THR CG2 . 15215 1 621 . 1 1 54 54 THR N N 15 112.417 0.1 . 1 . . . . 54 THR N . 15215 1 622 . 1 1 55 55 TRP H H 1 7.944 0.020 . 1 . . . . 55 TRP H . 15215 1 623 . 1 1 55 55 TRP HA H 1 4.699 0.020 . 1 . . . . 55 TRP HA . 15215 1 624 . 1 1 55 55 TRP HB2 H 1 3.218 0.020 . 1 . . . . 55 TRP HB2 . 15215 1 625 . 1 1 55 55 TRP HB3 H 1 3.218 0.020 . 1 . . . . 55 TRP HB3 . 15215 1 626 . 1 1 55 55 TRP HD1 H 1 7.197 0.020 . 1 . . . . 55 TRP HD1 . 15215 1 627 . 1 1 55 55 TRP HE1 H 1 10.017 0.020 . 1 . . . . 55 TRP HE1 . 15215 1 628 . 1 1 55 55 TRP HE3 H 1 7.516 0.020 . 1 . . . . 55 TRP HE3 . 15215 1 629 . 1 1 55 55 TRP HZ2 H 1 7.340 0.020 . 1 . . . . 55 TRP HZ2 . 15215 1 630 . 1 1 55 55 TRP HZ3 H 1 6.979 0.020 . 1 . . . . 55 TRP HZ3 . 15215 1 631 . 1 1 55 55 TRP HH2 H 1 7.062 0.020 . 1 . . . . 55 TRP HH2 . 15215 1 632 . 1 1 55 55 TRP CA C 13 57.470 0.1 . 1 . . . . 55 TRP CA . 15215 1 633 . 1 1 55 55 TRP CB C 13 29.986 0.1 . 1 . . . . 55 TRP CB . 15215 1 634 . 1 1 55 55 TRP CD1 C 13 127.556 0.1 . 1 . . . . 55 TRP CD1 . 15215 1 635 . 1 1 55 55 TRP CE3 C 13 121.247 0.1 . 1 . . . . 55 TRP CE3 . 15215 1 636 . 1 1 55 55 TRP CZ2 C 13 114.744 0.1 . 1 . . . . 55 TRP CZ2 . 15215 1 637 . 1 1 55 55 TRP CZ3 C 13 122.056 0.1 . 1 . . . . 55 TRP CZ3 . 15215 1 638 . 1 1 55 55 TRP CH2 C 13 124.644 0.1 . 1 . . . . 55 TRP CH2 . 15215 1 639 . 1 1 55 55 TRP N N 15 122.979 0.1 . 1 . . . . 55 TRP N . 15215 1 640 . 1 1 56 56 VAL HA H 1 3.927 0.020 . 1 . . . . 56 VAL HA . 15215 1 641 . 1 1 56 56 VAL HB H 1 1.913 0.020 . 1 . . . . 56 VAL HB . 15215 1 642 . 1 1 56 56 VAL HG11 H 1 0.797 0.020 . 2 . . . . 56 VAL QG1 . 15215 1 643 . 1 1 56 56 VAL HG12 H 1 0.797 0.020 . 2 . . . . 56 VAL QG1 . 15215 1 644 . 1 1 56 56 VAL HG13 H 1 0.797 0.020 . 2 . . . . 56 VAL QG1 . 15215 1 645 . 1 1 56 56 VAL CA C 13 62.647 0.1 . 1 . . . . 56 VAL CA . 15215 1 646 . 1 1 56 56 VAL CB C 13 32.880 0.1 . 1 . . . . 56 VAL CB . 15215 1 647 . 1 1 56 56 VAL CG1 C 13 21.237 0.1 . 1 . . . . 56 VAL CG1 . 15215 1 648 . 1 1 57 57 ARG HG2 H 1 1.759 0.020 . 1 . . . . 57 ARG HG2 . 15215 1 649 . 1 1 57 57 ARG HG3 H 1 1.759 0.020 . 1 . . . . 57 ARG HG3 . 15215 1 650 . 1 1 57 57 ARG HD2 H 1 3.161 0.020 . 1 . . . . 57 ARG HD2 . 15215 1 651 . 1 1 57 57 ARG HD3 H 1 3.161 0.020 . 1 . . . . 57 ARG HD3 . 15215 1 652 . 1 1 57 57 ARG C C 13 176.263 0.1 . 1 . . . . 57 ARG C . 15215 1 653 . 1 1 57 57 ARG CA C 13 56.414 0.1 . 1 . . . . 57 ARG CA . 15215 1 654 . 1 1 57 57 ARG CB C 13 32.302 0.1 . 1 . . . . 57 ARG CB . 15215 1 655 . 1 1 57 57 ARG CG C 13 30.938 0.1 . 1 . . . . 57 ARG CG . 15215 1 656 . 1 1 57 57 ARG CD C 13 43.557 0.1 . 1 . . . . 57 ARG CD . 15215 1 657 . 1 1 58 58 ASP H H 1 8.135 0.020 . 1 . . . . 58 ASP H . 15215 1 658 . 1 1 58 58 ASP HA H 1 4.580 0.020 . 1 . . . . 58 ASP HA . 15215 1 659 . 1 1 58 58 ASP HB2 H 1 2.667 0.020 . 2 . . . . 58 ASP HB2 . 15215 1 660 . 1 1 58 58 ASP HB3 H 1 2.577 0.020 . 2 . . . . 58 ASP HB3 . 15215 1 661 . 1 1 58 58 ASP C C 13 176.269 0.1 . 1 . . . . 58 ASP C . 15215 1 662 . 1 1 58 58 ASP CA C 13 54.558 0.1 . 1 . . . . 58 ASP CA . 15215 1 663 . 1 1 58 58 ASP CB C 13 41.616 0.1 . 1 . . . . 58 ASP CB . 15215 1 664 . 1 1 58 58 ASP N N 15 121.282 0.1 . 1 . . . . 58 ASP N . 15215 1 665 . 1 1 59 59 VAL H H 1 7.989 0.020 . 1 . . . . 59 VAL H . 15215 1 666 . 1 1 59 59 VAL HA H 1 4.004 0.020 . 1 . . . . 59 VAL HA . 15215 1 667 . 1 1 59 59 VAL HB H 1 2.036 0.020 . 1 . . . . 59 VAL HB . 15215 1 668 . 1 1 59 59 VAL HG11 H 1 0.900 0.020 . 2 . . . . 59 VAL QG1 . 15215 1 669 . 1 1 59 59 VAL HG12 H 1 0.900 0.020 . 2 . . . . 59 VAL QG1 . 15215 1 670 . 1 1 59 59 VAL HG13 H 1 0.900 0.020 . 2 . . . . 59 VAL QG1 . 15215 1 671 . 1 1 59 59 VAL C C 13 176.292 0.1 . 1 . . . . 59 VAL C . 15215 1 672 . 1 1 59 59 VAL CA C 13 62.899 0.1 . 1 . . . . 59 VAL CA . 15215 1 673 . 1 1 59 59 VAL CB C 13 33.131 0.1 . 1 . . . . 59 VAL CB . 15215 1 674 . 1 1 59 59 VAL CG1 C 13 21.165 0.1 . 1 . . . . 59 VAL CG1 . 15215 1 675 . 1 1 59 59 VAL N N 15 120.125 0.1 . 1 . . . . 59 VAL N . 15215 1 676 . 1 1 60 60 VAL H H 1 8.058 0.020 . 1 . . . . 60 VAL H . 15215 1 677 . 1 1 60 60 VAL HA H 1 4.054 0.020 . 1 . . . . 60 VAL HA . 15215 1 678 . 1 1 60 60 VAL HB H 1 2.025 0.020 . 1 . . . . 60 VAL HB . 15215 1 679 . 1 1 60 60 VAL HG11 H 1 0.865 0.020 . 2 . . . . 60 VAL QG1 . 15215 1 680 . 1 1 60 60 VAL HG12 H 1 0.865 0.020 . 2 . . . . 60 VAL QG1 . 15215 1 681 . 1 1 60 60 VAL HG13 H 1 0.865 0.020 . 2 . . . . 60 VAL QG1 . 15215 1 682 . 1 1 60 60 VAL C C 13 176.383 0.1 . 1 . . . . 60 VAL C . 15215 1 683 . 1 1 60 60 VAL CA C 13 62.739 0.1 . 1 . . . . 60 VAL CA . 15215 1 684 . 1 1 60 60 VAL CB C 13 33.131 0.1 . 1 . . . . 60 VAL CB . 15215 1 685 . 1 1 60 60 VAL CG1 C 13 21.165 0.1 . 1 . . . . 60 VAL CG1 . 15215 1 686 . 1 1 60 60 VAL N N 15 123.265 0.1 . 1 . . . . 60 VAL N . 15215 1 687 . 1 1 61 61 ARG H H 1 8.266 0.020 . 1 . . . . 61 ARG H . 15215 1 688 . 1 1 61 61 ARG C C 13 176.452 0.1 . 1 . . . . 61 ARG C . 15215 1 689 . 1 1 61 61 ARG CA C 13 56.278 0.1 . 1 . . . . 61 ARG CA . 15215 1 690 . 1 1 61 61 ARG N N 15 124.264 0.1 . 1 . . . . 61 ARG N . 15215 1 691 . 1 1 62 62 SER H H 1 8.188 0.020 . 1 . . . . 62 SER H . 15215 1 692 . 1 1 62 62 SER C C 13 174.807 0.1 . 1 . . . . 62 SER C . 15215 1 693 . 1 1 62 62 SER CA C 13 58.832 0.1 . 1 . . . . 62 SER CA . 15215 1 694 . 1 1 62 62 SER N N 15 116.498 0.1 . 1 . . . . 62 SER N . 15215 1 695 . 1 1 63 63 MET H H 1 8.292 0.020 . 1 . . . . 63 MET H . 15215 1 696 . 1 1 63 63 MET HA H 1 4.463 0.020 . 1 . . . . 63 MET HA . 15215 1 697 . 1 1 63 63 MET HB2 H 1 2.085 0.020 . 2 . . . . 63 MET HB2 . 15215 1 698 . 1 1 63 63 MET HB3 H 1 2.001 0.020 . 2 . . . . 63 MET HB3 . 15215 1 699 . 1 1 63 63 MET HG2 H 1 2.577 0.020 . 2 . . . . 63 MET HG2 . 15215 1 700 . 1 1 63 63 MET HG3 H 1 2.502 0.020 . 2 . . . . 63 MET HG3 . 15215 1 701 . 1 1 63 63 MET C C 13 175.898 0.1 . 1 . . . . 63 MET C . 15215 1 702 . 1 1 63 63 MET CA C 13 55.833 0.1 . 1 . . . . 63 MET CA . 15215 1 703 . 1 1 63 63 MET CB C 13 33.131 0.1 . 1 . . . . 63 MET CB . 15215 1 704 . 1 1 63 63 MET CG C 13 32.160 0.1 . 1 . . . . 63 MET CG . 15215 1 705 . 1 1 63 63 MET N N 15 121.730 0.1 . 1 . . . . 63 MET N . 15215 1 706 . 1 1 64 64 ASP H H 1 8.175 0.020 . 1 . . . . 64 ASP H . 15215 1 707 . 1 1 64 64 ASP C C 13 175.953 0.1 . 1 . . . . 64 ASP C . 15215 1 708 . 1 1 64 64 ASP CA C 13 54.527 0.1 . 1 . . . . 64 ASP CA . 15215 1 709 . 1 1 64 64 ASP CB C 13 41.724 0.1 . 1 . . . . 64 ASP CB . 15215 1 710 . 1 1 64 64 ASP N N 15 121.226 0.1 . 1 . . . . 64 ASP N . 15215 1 711 . 1 1 65 65 ARG H H 1 8.143 0.020 . 1 . . . . 65 ARG H . 15215 1 712 . 1 1 65 65 ARG C C 13 175.744 0.1 . 1 . . . . 65 ARG C . 15215 1 713 . 1 1 65 65 ARG CA C 13 56.197 0.1 . 1 . . . . 65 ARG CA . 15215 1 714 . 1 1 65 65 ARG CB C 13 30.970 0.1 . 1 . . . . 65 ARG CB . 15215 1 715 . 1 1 65 65 ARG CD C 13 43.548 0.1 . 1 . . . . 65 ARG CD . 15215 1 716 . 1 1 65 65 ARG N N 15 121.410 0.1 . 1 . . . . 65 ARG N . 15215 1 717 . 1 1 66 66 LYS H H 1 8.372 0.020 . 1 . . . . 66 LYS H . 15215 1 718 . 1 1 66 66 LYS C C 13 175.378 0.1 . 1 . . . . 66 LYS C . 15215 1 719 . 1 1 66 66 LYS CA C 13 53.472 0.1 . 1 . . . . 66 LYS CA . 15215 1 720 . 1 1 66 66 LYS N N 15 120.050 0.1 . 1 . . . . 66 LYS N . 15215 1 721 . 1 1 67 67 SER H H 1 8.017 0.020 . 1 . . . . 67 SER H . 15215 1 722 . 1 1 67 67 SER CA C 13 61.374 0.1 . 1 . . . . 67 SER CA . 15215 1 723 . 1 1 67 67 SER N N 15 113.877 0.1 . 1 . . . . 67 SER N . 15215 1 724 . 1 1 68 68 ASN H H 1 7.833 0.020 . 1 . . . . 68 ASN H . 15215 1 725 . 1 1 68 68 ASN CA C 13 57.453 0.1 . 1 . . . . 68 ASN CA . 15215 1 726 . 1 1 68 68 ASN N N 15 111.545 0.1 . 1 . . . . 68 ASN N . 15215 1 727 . 1 1 69 69 THR H H 1 7.808 0.020 . 1 . . . . 69 THR H . 15215 1 728 . 1 1 69 69 THR C C 13 175.721 0.1 . 1 . . . . 69 THR C . 15215 1 729 . 1 1 69 69 THR CA C 13 62.723 0.1 . 1 . . . . 69 THR CA . 15215 1 730 . 1 1 69 69 THR CB C 13 74.023 0.1 . 1 . . . . 69 THR CB . 15215 1 731 . 1 1 69 69 THR CG2 C 13 21.093 0.1 . 1 . . . . 69 THR CG2 . 15215 1 732 . 1 1 69 69 THR N N 15 112.504 0.1 . 1 . . . . 69 THR N . 15215 1 733 . 1 1 70 70 ARG H H 1 8.050 0.020 . 1 . . . . 70 ARG H . 15215 1 734 . 1 1 70 70 ARG C C 13 176.000 0.1 . 1 . . . . 70 ARG C . 15215 1 735 . 1 1 70 70 ARG CA C 13 56.481 0.1 . 1 . . . . 70 ARG CA . 15215 1 736 . 1 1 70 70 ARG CB C 13 30.632 0.1 . 1 . . . . 70 ARG CB . 15215 1 737 . 1 1 70 70 ARG CD C 13 43.548 0.1 . 1 . . . . 70 ARG CD . 15215 1 738 . 1 1 70 70 ARG N N 15 123.643 0.1 . 1 . . . . 70 ARG N . 15215 1 739 . 1 1 71 71 ASN H H 1 8.311 0.020 . 1 . . . . 71 ASN H . 15215 1 740 . 1 1 71 71 ASN C C 13 174.944 0.1 . 1 . . . . 71 ASN C . 15215 1 741 . 1 1 71 71 ASN CA C 13 53.494 0.1 . 1 . . . . 71 ASN CA . 15215 1 742 . 1 1 71 71 ASN CB C 13 38.821 0.1 . 1 . . . . 71 ASN CB . 15215 1 743 . 1 1 71 71 ASN N N 15 119.298 0.1 . 1 . . . . 71 ASN N . 15215 1 744 . 1 1 72 72 ASN H H 1 8.304 0.020 . 1 . . . . 72 ASN H . 15215 1 745 . 1 1 72 72 ASN C C 13 175.081 0.1 . 1 . . . . 72 ASN C . 15215 1 746 . 1 1 72 72 ASN CA C 13 53.577 0.1 . 1 . . . . 72 ASN CA . 15215 1 747 . 1 1 72 72 ASN CB C 13 38.905 0.1 . 1 . . . . 72 ASN CB . 15215 1 748 . 1 1 72 72 ASN N N 15 118.905 0.1 . 1 . . . . 72 ASN N . 15215 1 749 . 1 1 73 73 MET H H 1 8.139 0.020 . 1 . . . . 73 MET H . 15215 1 750 . 1 1 73 73 MET C C 13 176.000 0.1 . 1 . . . . 73 MET C . 15215 1 751 . 1 1 73 73 MET CA C 13 55.886 0.1 . 1 . . . . 73 MET CA . 15215 1 752 . 1 1 73 73 MET N N 15 120.037 0.1 . 1 . . . . 73 MET N . 15215 1 753 . 1 1 74 74 ILE H H 1 7.967 0.020 . 1 . . . . 74 ILE H . 15215 1 754 . 1 1 74 74 ILE HA H 1 4.146 0.020 . 1 . . . . 74 ILE HA . 15215 1 755 . 1 1 74 74 ILE HB H 1 1.842 0.020 . 1 . . . . 74 ILE HB . 15215 1 756 . 1 1 74 74 ILE HG12 H 1 1.438 0.020 . 2 . . . . 74 ILE HG12 . 15215 1 757 . 1 1 74 74 ILE HG13 H 1 1.154 0.020 . 2 . . . . 74 ILE HG13 . 15215 1 758 . 1 1 74 74 ILE HD11 H 1 0.828 0.020 . 1 . . . . 74 ILE QD1 . 15215 1 759 . 1 1 74 74 ILE HD12 H 1 0.828 0.020 . 1 . . . . 74 ILE QD1 . 15215 1 760 . 1 1 74 74 ILE HD13 H 1 0.828 0.020 . 1 . . . . 74 ILE QD1 . 15215 1 761 . 1 1 74 74 ILE C C 13 176.000 0.1 . 1 . . . . 74 ILE C . 15215 1 762 . 1 1 74 74 ILE CA C 13 61.312 0.1 . 1 . . . . 74 ILE CA . 15215 1 763 . 1 1 74 74 ILE CB C 13 38.955 0.1 . 1 . . . . 74 ILE CB . 15215 1 764 . 1 1 74 74 ILE CG1 C 13 27.307 0.1 . 1 . . . . 74 ILE CG1 . 15215 1 765 . 1 1 74 74 ILE CG2 C 13 17.547 0.1 . 1 . . . . 74 ILE CG2 . 15215 1 766 . 1 1 74 74 ILE CD1 C 13 12.753 0.1 . 1 . . . . 74 ILE CD1 . 15215 1 767 . 1 1 74 74 ILE N N 15 121.468 0.1 . 1 . . . . 74 ILE N . 15215 1 768 . 1 1 75 75 GLN H H 1 8.362 0.020 . 1 . . . . 75 GLN H . 15215 1 769 . 1 1 75 75 GLN C C 13 175.935 0.1 . 1 . . . . 75 GLN C . 15215 1 770 . 1 1 75 75 GLN CA C 13 55.819 0.1 . 1 . . . . 75 GLN CA . 15215 1 771 . 1 1 75 75 GLN CB C 13 33.925 0.1 . 1 . . . . 75 GLN CB . 15215 1 772 . 1 1 75 75 GLN N N 15 124.361 0.1 . 1 . . . . 75 GLN N . 15215 1 773 . 1 1 76 76 THR H H 1 8.113 0.020 . 1 . . . . 76 THR H . 15215 1 774 . 1 1 76 76 THR C C 13 174.144 0.1 . 1 . . . . 76 THR C . 15215 1 775 . 1 1 76 76 THR CA C 13 61.935 0.1 . 1 . . . . 76 THR CA . 15215 1 776 . 1 1 76 76 THR CB C 13 69.971 0.1 . 1 . . . . 76 THR CB . 15215 1 777 . 1 1 76 76 THR CG2 C 13 21.431 0.1 . 1 . . . . 76 THR CG2 . 15215 1 778 . 1 1 76 76 THR N N 15 116.049 0.1 . 1 . . . . 76 THR N . 15215 1 779 . 1 1 77 77 LYS H H 1 8.215 0.020 . 1 . . . . 77 LYS H . 15215 1 780 . 1 1 77 77 LYS N N 15 124.479 0.1 . 1 . . . . 77 LYS N . 15215 1 781 . 1 1 78 78 PRO HA H 1 4.490 0.020 . 1 . . . . 78 PRO HA . 15215 1 782 . 1 1 78 78 PRO HB2 H 1 2.279 0.020 . 2 . . . . 78 PRO HB2 . 15215 1 783 . 1 1 78 78 PRO HB3 H 1 1.930 0.020 . 2 . . . . 78 PRO HB3 . 15215 1 784 . 1 1 78 78 PRO HG2 H 1 2.006 0.020 . 1 . . . . 78 PRO HG2 . 15215 1 785 . 1 1 78 78 PRO HG3 H 1 2.006 0.020 . 1 . . . . 78 PRO HG3 . 15215 1 786 . 1 1 78 78 PRO HD2 H 1 3.819 0.020 . 2 . . . . 78 PRO HD2 . 15215 1 787 . 1 1 78 78 PRO HD3 H 1 3.642 0.020 . 2 . . . . 78 PRO HD3 . 15215 1 788 . 1 1 78 78 PRO C C 13 177.137 0.1 . 1 . . . . 78 PRO C . 15215 1 789 . 1 1 78 78 PRO CA C 13 63.546 0.1 . 1 . . . . 78 PRO CA . 15215 1 790 . 1 1 78 78 PRO CB C 13 32.484 0.1 . 1 . . . . 78 PRO CB . 15215 1 791 . 1 1 78 78 PRO CG C 13 27.307 0.1 . 1 . . . . 78 PRO CG . 15215 1 792 . 1 1 78 78 PRO CD C 13 50.927 0.1 . 1 . . . . 78 PRO CD . 15215 1 793 . 1 1 79 79 THR H H 1 8.171 0.020 . 1 . . . . 79 THR H . 15215 1 794 . 1 1 79 79 THR C C 13 175.218 0.1 . 1 . . . . 79 THR C . 15215 1 795 . 1 1 79 79 THR CA C 13 61.896 0.1 . 1 . . . . 79 THR CA . 15215 1 796 . 1 1 79 79 THR CB C 13 70.007 0.1 . 1 . . . . 79 THR CB . 15215 1 797 . 1 1 79 79 THR CG2 C 13 21.346 0.1 . 1 . . . . 79 THR CG2 . 15215 1 798 . 1 1 79 79 THR N N 15 113.964 0.1 . 1 . . . . 79 THR N . 15215 1 799 . 1 1 80 80 GLY H H 1 8.320 0.020 . 1 . . . . 80 GLY H . 15215 1 800 . 1 1 80 80 GLY C C 13 174.418 0.1 . 1 . . . . 80 GLY C . 15215 1 801 . 1 1 80 80 GLY CA C 13 45.559 0.1 . 1 . . . . 80 GLY CA . 15215 1 802 . 1 1 80 80 GLY N N 15 110.746 0.1 . 1 . . . . 80 GLY N . 15215 1 803 . 1 1 81 81 THR H H 1 8.015 0.020 . 1 . . . . 81 THR H . 15215 1 804 . 1 1 81 81 THR C C 13 174.738 0.1 . 1 . . . . 81 THR C . 15215 1 805 . 1 1 81 81 THR CA C 13 62.044 0.1 . 1 . . . . 81 THR CA . 15215 1 806 . 1 1 81 81 THR CB C 13 69.971 0.1 . 1 . . . . 81 THR CB . 15215 1 807 . 1 1 81 81 THR CG2 C 13 21.431 0.1 . 1 . . . . 81 THR CG2 . 15215 1 808 . 1 1 81 81 THR N N 15 113.559 0.1 . 1 . . . . 81 THR N . 15215 1 809 . 1 1 82 82 GLN H H 1 8.384 0.020 . 1 . . . . 82 GLN H . 15215 1 810 . 1 1 82 82 GLN C C 13 175.835 0.1 . 1 . . . . 82 GLN C . 15215 1 811 . 1 1 82 82 GLN CA C 13 56.155 0.1 . 1 . . . . 82 GLN CA . 15215 1 812 . 1 1 82 82 GLN CB C 13 33.925 0.1 . 1 . . . . 82 GLN CB . 15215 1 813 . 1 1 82 82 GLN N N 15 122.552 0.1 . 1 . . . . 82 GLN N . 15215 1 814 . 1 1 83 83 GLN H H 1 8.359 0.020 . 1 . . . . 83 GLN H . 15215 1 815 . 1 1 83 83 GLN C C 13 176.000 0.1 . 1 . . . . 83 GLN C . 15215 1 816 . 1 1 83 83 GLN CA C 13 56.039 0.1 . 1 . . . . 83 GLN CA . 15215 1 817 . 1 1 83 83 GLN CB C 13 33.840 0.1 . 1 . . . . 83 GLN CB . 15215 1 818 . 1 1 83 83 GLN N N 15 121.467 0.1 . 1 . . . . 83 GLN N . 15215 1 819 . 1 1 84 84 SER H H 1 8.333 0.020 . 1 . . . . 84 SER H . 15215 1 820 . 1 1 84 84 SER C C 13 174.784 0.1 . 1 . . . . 84 SER C . 15215 1 821 . 1 1 84 84 SER CA C 13 58.485 0.1 . 1 . . . . 84 SER CA . 15215 1 822 . 1 1 84 84 SER CB C 13 63.881 0.1 . 1 . . . . 84 SER CB . 15215 1 823 . 1 1 84 84 SER N N 15 116.931 0.1 . 1 . . . . 84 SER N . 15215 1 824 . 1 1 85 85 THR H H 1 8.104 0.020 . 1 . . . . 85 THR H . 15215 1 825 . 1 1 85 85 THR C C 13 174.327 0.1 . 1 . . . . 85 THR C . 15215 1 826 . 1 1 85 85 THR CA C 13 61.954 0.1 . 1 . . . . 85 THR CA . 15215 1 827 . 1 1 85 85 THR CB C 13 69.802 0.1 . 1 . . . . 85 THR CB . 15215 1 828 . 1 1 85 85 THR CG2 C 13 21.431 0.1 . 1 . . . . 85 THR CG2 . 15215 1 829 . 1 1 85 85 THR N N 15 115.198 0.1 . 1 . . . . 85 THR N . 15215 1 830 . 1 1 86 86 ASN H H 1 8.352 0.020 . 1 . . . . 86 ASN H . 15215 1 831 . 1 1 86 86 ASN C C 13 175.309 0.1 . 1 . . . . 86 ASN C . 15215 1 832 . 1 1 86 86 ASN CA C 13 53.463 0.1 . 1 . . . . 86 ASN CA . 15215 1 833 . 1 1 86 86 ASN CB C 13 39.243 0.1 . 1 . . . . 86 ASN CB . 15215 1 834 . 1 1 86 86 ASN N N 15 120.953 0.1 . 1 . . . . 86 ASN N . 15215 1 835 . 1 1 87 87 THR H H 1 8.010 0.020 . 1 . . . . 87 THR H . 15215 1 836 . 1 1 87 87 THR C C 13 174.144 0.1 . 1 . . . . 87 THR C . 15215 1 837 . 1 1 87 87 THR CA C 13 62.029 0.1 . 1 . . . . 87 THR CA . 15215 1 838 . 1 1 87 87 THR CB C 13 69.718 0.1 . 1 . . . . 87 THR CB . 15215 1 839 . 1 1 87 87 THR CG2 C 13 21.600 0.1 . 1 . . . . 87 THR CG2 . 15215 1 840 . 1 1 87 87 THR N N 15 114.479 0.1 . 1 . . . . 87 THR N . 15215 1 841 . 1 1 88 88 ALA H H 1 8.162 0.020 . 1 . . . . 88 ALA H . 15215 1 842 . 1 1 88 88 ALA HA H 1 4.377 0.020 . 1 . . . . 88 ALA HA . 15215 1 843 . 1 1 88 88 ALA HB1 H 1 1.356 0.020 . 1 . . . . 88 ALA QB . 15215 1 844 . 1 1 88 88 ALA HB2 H 1 1.356 0.020 . 1 . . . . 88 ALA QB . 15215 1 845 . 1 1 88 88 ALA HB3 H 1 1.356 0.020 . 1 . . . . 88 ALA QB . 15215 1 846 . 1 1 88 88 ALA C C 13 177.457 0.1 . 1 . . . . 88 ALA C . 15215 1 847 . 1 1 88 88 ALA CA C 13 52.650 0.1 . 1 . . . . 88 ALA CA . 15215 1 848 . 1 1 88 88 ALA CB C 13 19.224 0.1 . 1 . . . . 88 ALA CB . 15215 1 849 . 1 1 88 88 ALA N N 15 126.262 0.1 . 1 . . . . 88 ALA N . 15215 1 850 . 1 1 89 89 VAL H H 1 7.961 0.020 . 1 . . . . 89 VAL H . 15215 1 851 . 1 1 89 89 VAL HA H 1 4.158 0.020 . 1 . . . . 89 VAL HA . 15215 1 852 . 1 1 89 89 VAL HB H 1 2.049 0.020 . 1 . . . . 89 VAL HB . 15215 1 853 . 1 1 89 89 VAL HG11 H 1 0.905 0.020 . 2 . . . . 89 VAL QG1 . 15215 1 854 . 1 1 89 89 VAL HG12 H 1 0.905 0.020 . 2 . . . . 89 VAL QG1 . 15215 1 855 . 1 1 89 89 VAL HG13 H 1 0.905 0.020 . 2 . . . . 89 VAL QG1 . 15215 1 856 . 1 1 89 89 VAL C C 13 176.109 0.1 . 1 . . . . 89 VAL C . 15215 1 857 . 1 1 89 89 VAL CA C 13 62.252 0.1 . 1 . . . . 89 VAL CA . 15215 1 858 . 1 1 89 89 VAL CB C 13 33.131 0.1 . 1 . . . . 89 VAL CB . 15215 1 859 . 1 1 89 89 VAL CG1 C 13 20.842 0.1 . 1 . . . . 89 VAL CG1 . 15215 1 860 . 1 1 89 89 VAL N N 15 119.268 0.1 . 1 . . . . 89 VAL N . 15215 1 861 . 1 1 90 90 THR H H 1 8.136 0.020 . 1 . . . . 90 THR H . 15215 1 862 . 1 1 90 90 THR HB H 1 4.145 0.020 . 1 . . . . 90 THR HB . 15215 1 863 . 1 1 90 90 THR HG21 H 1 1.150 0.020 . 1 . . . . 90 THR QG2 . 15215 1 864 . 1 1 90 90 THR HG22 H 1 1.150 0.020 . 1 . . . . 90 THR QG2 . 15215 1 865 . 1 1 90 90 THR HG23 H 1 1.150 0.020 . 1 . . . . 90 THR QG2 . 15215 1 866 . 1 1 90 90 THR C C 13 174.258 0.1 . 1 . . . . 90 THR C . 15215 1 867 . 1 1 90 90 THR CA C 13 61.720 0.1 . 1 . . . . 90 THR CA . 15215 1 868 . 1 1 90 90 THR CB C 13 69.887 0.1 . 1 . . . . 90 THR CB . 15215 1 869 . 1 1 90 90 THR CG2 C 13 21.431 0.1 . 1 . . . . 90 THR CG2 . 15215 1 870 . 1 1 90 90 THR N N 15 118.357 0.1 . 1 . . . . 90 THR N . 15215 1 871 . 1 1 91 91 LEU H H 1 8.314 0.020 . 1 . . . . 91 LEU H . 15215 1 872 . 1 1 91 91 LEU HB2 H 1 1.610 0.020 . 1 . . . . 91 LEU HB2 . 15215 1 873 . 1 1 91 91 LEU HB3 H 1 1.610 0.020 . 1 . . . . 91 LEU HB3 . 15215 1 874 . 1 1 91 91 LEU C C 13 177.206 0.1 . 1 . . . . 91 LEU C . 15215 1 875 . 1 1 91 91 LEU CA C 13 55.336 0.1 . 1 . . . . 91 LEU CA . 15215 1 876 . 1 1 91 91 LEU CB C 13 42.620 0.1 . 1 . . . . 91 LEU CB . 15215 1 877 . 1 1 91 91 LEU N N 15 125.341 0.1 . 1 . . . . 91 LEU N . 15215 1 878 . 1 1 92 92 THR H H 1 8.018 0.020 . 1 . . . . 92 THR H . 15215 1 879 . 1 1 92 92 THR HA H 1 4.330 0.020 . 1 . . . . 92 THR HA . 15215 1 880 . 1 1 92 92 THR HG21 H 1 1.188 0.020 . 1 . . . . 92 THR QG2 . 15215 1 881 . 1 1 92 92 THR HG22 H 1 1.188 0.020 . 1 . . . . 92 THR QG2 . 15215 1 882 . 1 1 92 92 THR HG23 H 1 1.188 0.020 . 1 . . . . 92 THR QG2 . 15215 1 883 . 1 1 92 92 THR C C 13 174.053 0.1 . 1 . . . . 92 THR C . 15215 1 884 . 1 1 92 92 THR CB C 13 69.959 0.1 . 1 . . . . 92 THR CB . 15215 1 885 . 1 1 92 92 THR CG2 C 13 21.489 0.1 . 1 . . . . 92 THR CG2 . 15215 1 886 . 1 1 92 92 THR N N 15 113.846 0.1 . 1 . . . . 92 THR N . 15215 1 887 . 1 1 93 93 GLY H H 1 7.858 0.020 . 1 . . . . 93 GLY H . 15215 1 888 . 1 1 93 93 GLY HA2 H 1 3.755 0.020 . 1 . . . . 93 GLY HA2 . 15215 1 889 . 1 1 93 93 GLY HA3 H 1 3.755 0.020 . 1 . . . . 93 GLY HA3 . 15215 1 890 . 1 1 93 93 GLY N N 15 117.099 0.1 . 1 . . . . 93 GLY N . 15215 1 stop_ save_