data_17628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17628 _Entry.Title ; NMR Structure of Alk1 extracellular domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-06 _Entry.Accession_date 2011-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Udayar Ilangovan . . . 17628 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' . 17628 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 17628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 17628 '15N chemical shifts' 84 17628 '1H chemical shifts' 480 17628 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-26 2011-05-06 update BMRB 'update entry citation' 17628 1 . . 2012-08-30 2011-05-06 original author 'original release' 17628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCR 'BMRB Entry Tracking System' 17628 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 17628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22799562 _Citation.Full_citation . _Citation.Title 'Structure of the Alk1 extracellular domain and characterization of its bone morphogenetic protein (BMP) binding properties.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6328 _Citation.Page_last 6341 _Citation.Year 2012 _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 Pardeep Mahlawat . . . 17628 1 2 Udayar Ilangovan . . . 17628 1 3 Tanuka Biswas . . . 17628 1 4 Lu-Zhe Sun . . . 17628 1 5 Andrew Hinck . P. . 17628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17628 _Assembly.ID 1 _Assembly.Name Alk1 _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 Alk1 1 $Alk1 A . yes native no no . . . 17628 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 13 13 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . 17628 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 17628 1 3 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 17628 1 4 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 17628 1 5 disulfide single . 1 . 1 CYS 69 69 SG . 1 . 1 CYS 74 74 SG . . . . . . . . . . 17628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alk1 _Entity.Sf_category entity _Entity.Sf_framecode Alk1 _Entity.Entry_ID 17628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Alk1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DPVKPSRGPLVTCTCESPHC KGPTCRGAWCTVVLVREEGR HPQEHRGCGNLHRELCRGRP TEFVNHYCCDSHLCNHNVSL VLEATQPPSEQPGTDGQ ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11148.615 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LCR . "Nmr Structure Of Alk1 Extracellular Domain" . . . . . 100.00 101 100.00 100.00 8.46e-63 . . . . 17628 1 2 no PDB 4FAO . "Specificity And Structure Of A High Affinity Activin-Like 1 (Alk1) Signaling Complex" . . . . . 100.00 106 100.00 100.00 6.24e-63 . . . . 17628 1 3 no EMBL CAA80255 . "ALK-1 [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.20e-62 . . . . 17628 1 4 no EMBL CAH91180 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 503 97.94 98.97 6.03e-61 . . . . 17628 1 5 no GB AAA16160 . "TGF-b superfamily receptor type I [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 6 no GB AAB61900 . "activin receptor like kinase 1 [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 7 no GB AAH42637 . "Activin A receptor type II-like 1 [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 8 no GB AAQ02577 . "activin A receptor type II-like 1, partial [synthetic construct]" . . . . . 100.00 504 100.00 100.00 2.13e-62 . . . . 17628 1 9 no GB ADJ79922 . "activin A receptor type II-like kinase 1 variant 3 [Homo sapiens]" . . . . . 70.10 89 100.00 100.00 3.24e-41 . . . . 17628 1 10 no REF NP_000011 . "serine/threonine-protein kinase receptor R3 precursor [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 11 no REF NP_001070869 . "serine/threonine-protein kinase receptor R3 precursor [Homo sapiens]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 12 no REF NP_001125692 . "serine/threonine-protein kinase receptor R3 precursor [Pongo abelii]" . . . . . 100.00 503 97.94 98.97 6.03e-61 . . . . 17628 1 13 no REF XP_001145609 . "PREDICTED: serine/threonine-protein kinase receptor R3 isoform X1 [Pan troglodytes]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 14 no REF XP_003831124 . "PREDICTED: serine/threonine-protein kinase receptor R3 isoform X2 [Pan paniscus]" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 15 no SP P37023 . "RecName: Full=Serine/threonine-protein kinase receptor R3; Short=SKR3; AltName: Full=Activin receptor-like kinase 1; Short=ALK-" . . . . . 100.00 503 100.00 100.00 2.18e-62 . . . . 17628 1 16 no SP Q5RAN0 . "RecName: Full=Serine/threonine-protein kinase receptor R3; Short=SKR3; AltName: Full=Activin receptor-like kinase 1; Short=ALK-" . . . . . 100.00 503 97.94 98.97 6.03e-61 . . . . 17628 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 . ASP . 17628 1 2 . PRO . 17628 1 3 . VAL . 17628 1 4 . LYS . 17628 1 5 . PRO . 17628 1 6 . SER . 17628 1 7 . ARG . 17628 1 8 . GLY . 17628 1 9 . PRO . 17628 1 10 . LEU . 17628 1 11 . VAL . 17628 1 12 . THR . 17628 1 13 . CYS . 17628 1 14 . THR . 17628 1 15 . CYS . 17628 1 16 . GLU . 17628 1 17 . SER . 17628 1 18 . PRO . 17628 1 19 . HIS . 17628 1 20 . CYS . 17628 1 21 . LYS . 17628 1 22 . GLY . 17628 1 23 . PRO . 17628 1 24 . THR . 17628 1 25 . CYS . 17628 1 26 . ARG . 17628 1 27 . GLY . 17628 1 28 . ALA . 17628 1 29 . TRP . 17628 1 30 . CYS . 17628 1 31 . THR . 17628 1 32 . VAL . 17628 1 33 . VAL . 17628 1 34 . LEU . 17628 1 35 . VAL . 17628 1 36 . ARG . 17628 1 37 . GLU . 17628 1 38 . GLU . 17628 1 39 . GLY . 17628 1 40 . ARG . 17628 1 41 . HIS . 17628 1 42 . PRO . 17628 1 43 . GLN . 17628 1 44 . GLU . 17628 1 45 . HIS . 17628 1 46 . ARG . 17628 1 47 . GLY . 17628 1 48 . CYS . 17628 1 49 . GLY . 17628 1 50 . ASN . 17628 1 51 . LEU . 17628 1 52 . HIS . 17628 1 53 . ARG . 17628 1 54 . GLU . 17628 1 55 . LEU . 17628 1 56 . CYS . 17628 1 57 . ARG . 17628 1 58 . GLY . 17628 1 59 . ARG . 17628 1 60 . PRO . 17628 1 61 . THR . 17628 1 62 . GLU . 17628 1 63 . PHE . 17628 1 64 . VAL . 17628 1 65 . ASN . 17628 1 66 . HIS . 17628 1 67 . TYR . 17628 1 68 . CYS . 17628 1 69 . CYS . 17628 1 70 . ASP . 17628 1 71 . SER . 17628 1 72 . HIS . 17628 1 73 . LEU . 17628 1 74 . CYS . 17628 1 75 . ASN . 17628 1 76 . HIS . 17628 1 77 . ASN . 17628 1 78 . VAL . 17628 1 79 . SER . 17628 1 80 . LEU . 17628 1 81 . VAL . 17628 1 82 . LEU . 17628 1 83 . GLU . 17628 1 84 . ALA . 17628 1 85 . THR . 17628 1 86 . GLN . 17628 1 87 . PRO . 17628 1 88 . PRO . 17628 1 89 . SER . 17628 1 90 . GLU . 17628 1 91 . GLN . 17628 1 92 . PRO . 17628 1 93 . GLY . 17628 1 94 . THR . 17628 1 95 . ASP . 17628 1 96 . GLY . 17628 1 97 . GLN . 17628 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 . ASP 1 1 17628 1 . PRO 2 2 17628 1 . VAL 3 3 17628 1 . LYS 4 4 17628 1 . PRO 5 5 17628 1 . SER 6 6 17628 1 . ARG 7 7 17628 1 . GLY 8 8 17628 1 . PRO 9 9 17628 1 . LEU 10 10 17628 1 . VAL 11 11 17628 1 . THR 12 12 17628 1 . CYS 13 13 17628 1 . THR 14 14 17628 1 . CYS 15 15 17628 1 . GLU 16 16 17628 1 . SER 17 17 17628 1 . PRO 18 18 17628 1 . HIS 19 19 17628 1 . CYS 20 20 17628 1 . LYS 21 21 17628 1 . GLY 22 22 17628 1 . PRO 23 23 17628 1 . THR 24 24 17628 1 . CYS 25 25 17628 1 . ARG 26 26 17628 1 . GLY 27 27 17628 1 . ALA 28 28 17628 1 . TRP 29 29 17628 1 . CYS 30 30 17628 1 . THR 31 31 17628 1 . VAL 32 32 17628 1 . VAL 33 33 17628 1 . LEU 34 34 17628 1 . VAL 35 35 17628 1 . ARG 36 36 17628 1 . GLU 37 37 17628 1 . GLU 38 38 17628 1 . GLY 39 39 17628 1 . ARG 40 40 17628 1 . HIS 41 41 17628 1 . PRO 42 42 17628 1 . GLN 43 43 17628 1 . GLU 44 44 17628 1 . HIS 45 45 17628 1 . ARG 46 46 17628 1 . GLY 47 47 17628 1 . CYS 48 48 17628 1 . GLY 49 49 17628 1 . ASN 50 50 17628 1 . LEU 51 51 17628 1 . HIS 52 52 17628 1 . ARG 53 53 17628 1 . GLU 54 54 17628 1 . LEU 55 55 17628 1 . CYS 56 56 17628 1 . ARG 57 57 17628 1 . GLY 58 58 17628 1 . ARG 59 59 17628 1 . PRO 60 60 17628 1 . THR 61 61 17628 1 . GLU 62 62 17628 1 . PHE 63 63 17628 1 . VAL 64 64 17628 1 . ASN 65 65 17628 1 . HIS 66 66 17628 1 . TYR 67 67 17628 1 . CYS 68 68 17628 1 . CYS 69 69 17628 1 . ASP 70 70 17628 1 . SER 71 71 17628 1 . HIS 72 72 17628 1 . LEU 73 73 17628 1 . CYS 74 74 17628 1 . ASN 75 75 17628 1 . HIS 76 76 17628 1 . ASN 77 77 17628 1 . VAL 78 78 17628 1 . SER 79 79 17628 1 . LEU 80 80 17628 1 . VAL 81 81 17628 1 . LEU 82 82 17628 1 . GLU 83 83 17628 1 . ALA 84 84 17628 1 . THR 85 85 17628 1 . GLN 86 86 17628 1 . PRO 87 87 17628 1 . PRO 88 88 17628 1 . SER 89 89 17628 1 . GLU 90 90 17628 1 . GLN 91 91 17628 1 . PRO 92 92 17628 1 . GLY 93 93 17628 1 . THR 94 94 17628 1 . ASP 95 95 17628 1 . GLY 96 96 17628 1 . GLN 97 97 17628 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 17628 _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 $Alk1 . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17628 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 17628 _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 $Alk1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17628 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Alk1 '[U-100% 15N]' . . 1 $Alk1 . . 0.5 . . mM . . . . 17628 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17628 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17628 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17628 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17628 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17628 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Alk1 '[U-100% 13C; U-100% 15N]' . . 1 $Alk1 . . 0.5 . . mM . . . . 17628 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17628 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17628 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17628 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17628 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17628 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Alk1 '[U-100% 13C; U-100% 15N]' . . . . . . 0.5 . . mM . . . . 17628 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17628 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17628 3 4 'Pf1 phage' 'natural abundance' . . . . . . 5mg/mL . . mg . . . . 17628 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17628 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17628 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17628 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 17628 1 pressure 1 . atm 17628 1 temperature 305 . K 17628 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17628 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17628 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17628 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 17628 _Software.ID 2 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17628 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17628 2 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 17628 _Software.ID 3 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 17628 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID realaxation 17628 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17628 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17628 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure Visualization' 17628 4 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 17628 _Software.ID 5 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . 17628 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift index calculation' 17628 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17628 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17628 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Visualization' 17628 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17628 _Software.ID 7 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17628 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 17628 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17628 _Software.ID 8 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17628 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17628 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17628 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17628 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle determination' 17628 9 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17628 _Software.ID 10 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17628 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 17628 10 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 17628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17628 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17628 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17628 1 2 spectrometer_2 Bruker DRX . 600 . . . 17628 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 17628 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 1 13 '2D 15N-HSQC IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17628 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 17628 _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 . . . . . . . . . 17628 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17628 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17628 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 17628 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17628 1 2 '2D 1H-13C HSQC aliphatic' . . . 17628 1 3 '3D HNCACB' . . . 17628 1 4 '3D CBCA(CO)NH' . . . 17628 1 6 '3D C(CO)NH' . . . 17628 1 7 '3D HBHA(CO)NH' . . . 17628 1 8 '3D HNCO' . . . 17628 1 10 '3D HCCH-TOCSY' . . . 17628 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.409 0.004 . 1 . . . A 2 PRO HA . 17628 1 2 . 1 1 2 2 PRO HB2 H 1 1.877 0.002 . 2 . . . A 2 PRO HB2 . 17628 1 3 . 1 1 2 2 PRO HB3 H 1 2.247 0.011 . 2 . . . A 2 PRO HB3 . 17628 1 4 . 1 1 2 2 PRO HD2 H 1 3.819 0.004 . 2 . . . A 2 PRO HD2 . 17628 1 5 . 1 1 2 2 PRO HD3 H 1 3.726 0.004 . 2 . . . A 2 PRO HD3 . 17628 1 6 . 1 1 2 2 PRO C C 13 176.726 0.000 . 1 . . . A 2 PRO C . 17628 1 7 . 1 1 2 2 PRO CA C 13 63.021 0.071 . 1 . . . A 2 PRO CA . 17628 1 8 . 1 1 2 2 PRO CB C 13 32.135 0.071 . 1 . . . A 2 PRO CB . 17628 1 9 . 1 1 2 2 PRO CG C 13 27.206 0.000 . 1 . . . A 2 PRO CG . 17628 1 10 . 1 1 2 2 PRO CD C 13 50.666 0.012 . 1 . . . A 2 PRO CD . 17628 1 11 . 1 1 3 3 VAL H H 1 8.140 0.006 . 1 . . . A 3 VAL H . 17628 1 12 . 1 1 3 3 VAL HA H 1 3.994 0.005 . 1 . . . A 3 VAL HA . 17628 1 13 . 1 1 3 3 VAL HB H 1 2.006 0.002 . 1 . . . A 3 VAL HB . 17628 1 14 . 1 1 3 3 VAL HG11 H 1 0.916 0.002 . 2 . . . A 3 VAL HG11 . 17628 1 15 . 1 1 3 3 VAL HG12 H 1 0.916 0.002 . 2 . . . A 3 VAL HG12 . 17628 1 16 . 1 1 3 3 VAL HG13 H 1 0.916 0.002 . 2 . . . A 3 VAL HG13 . 17628 1 17 . 1 1 3 3 VAL HG21 H 1 0.878 0.002 . 2 . . . A 3 VAL HG21 . 17628 1 18 . 1 1 3 3 VAL HG22 H 1 0.878 0.002 . 2 . . . A 3 VAL HG22 . 17628 1 19 . 1 1 3 3 VAL HG23 H 1 0.878 0.002 . 2 . . . A 3 VAL HG23 . 17628 1 20 . 1 1 3 3 VAL C C 13 175.979 0.000 . 1 . . . A 3 VAL C . 17628 1 21 . 1 1 3 3 VAL CA C 13 62.467 0.042 . 1 . . . A 3 VAL CA . 17628 1 22 . 1 1 3 3 VAL CB C 13 32.545 0.016 . 1 . . . A 3 VAL CB . 17628 1 23 . 1 1 3 3 VAL CG1 C 13 20.787 0.045 . 2 . . . A 3 VAL CG1 . 17628 1 24 . 1 1 3 3 VAL CG2 C 13 21.197 0.045 . 2 . . . A 3 VAL CG2 . 17628 1 25 . 1 1 3 3 VAL N N 15 120.494 0.027 . 1 . . . A 3 VAL N . 17628 1 26 . 1 1 4 4 LYS H H 1 8.276 0.007 . 1 . . . A 4 LYS H . 17628 1 27 . 1 1 4 4 LYS HA H 1 4.584 0.000 . 1 . . . A 4 LYS HA . 17628 1 28 . 1 1 4 4 LYS C C 13 174.350 0.000 . 1 . . . A 4 LYS C . 17628 1 29 . 1 1 4 4 LYS CA C 13 54.055 0.000 . 1 . . . A 4 LYS CA . 17628 1 30 . 1 1 4 4 LYS CB C 13 32.579 0.000 . 1 . . . A 4 LYS CB . 17628 1 31 . 1 1 4 4 LYS N N 15 126.411 0.030 . 1 . . . A 4 LYS N . 17628 1 32 . 1 1 5 5 PRO HA H 1 4.425 0.002 . 1 . . . A 5 PRO HA . 17628 1 33 . 1 1 5 5 PRO HB2 H 1 1.937 0.000 . 2 . . . A 5 PRO HB2 . 17628 1 34 . 1 1 5 5 PRO HB3 H 1 2.276 0.007 . 2 . . . A 5 PRO HB3 . 17628 1 35 . 1 1 5 5 PRO C C 13 176.929 0.000 . 1 . . . A 5 PRO C . 17628 1 36 . 1 1 5 5 PRO CA C 13 63.195 0.045 . 1 . . . A 5 PRO CA . 17628 1 37 . 1 1 5 5 PRO CB C 13 32.088 0.050 . 1 . . . A 5 PRO CB . 17628 1 38 . 1 1 5 5 PRO CG C 13 27.325 0.000 . 1 . . . A 5 PRO CG . 17628 1 39 . 1 1 5 5 PRO CD C 13 50.493 0.000 . 1 . . . A 5 PRO CD . 17628 1 40 . 1 1 6 6 SER H H 1 8.283 0.007 . 1 . . . A 6 SER H . 17628 1 41 . 1 1 6 6 SER HA H 1 4.379 0.001 . 1 . . . A 6 SER HA . 17628 1 42 . 1 1 6 6 SER HB2 H 1 3.807 0.000 . 2 . . . A 6 SER HB2 . 17628 1 43 . 1 1 6 6 SER HB3 H 1 3.807 0.000 . 2 . . . A 6 SER HB3 . 17628 1 44 . 1 1 6 6 SER C C 13 174.458 0.000 . 1 . . . A 6 SER C . 17628 1 45 . 1 1 6 6 SER CA C 13 58.418 0.040 . 1 . . . A 6 SER CA . 17628 1 46 . 1 1 6 6 SER CB C 13 63.981 0.023 . 1 . . . A 6 SER CB . 17628 1 47 . 1 1 6 6 SER N N 15 115.564 0.031 . 1 . . . A 6 SER N . 17628 1 48 . 1 1 7 7 ARG H H 1 8.321 0.003 . 1 . . . A 7 ARG H . 17628 1 49 . 1 1 7 7 ARG HA H 1 4.424 0.005 . 1 . . . A 7 ARG HA . 17628 1 50 . 1 1 7 7 ARG HB2 H 1 1.858 0.000 . 2 . . . A 7 ARG HB2 . 17628 1 51 . 1 1 7 7 ARG HB3 H 1 1.858 0.000 . 2 . . . A 7 ARG HB3 . 17628 1 52 . 1 1 7 7 ARG C C 13 176.216 0.004 . 1 . . . A 7 ARG C . 17628 1 53 . 1 1 7 7 ARG CA C 13 56.083 0.073 . 1 . . . A 7 ARG CA . 17628 1 54 . 1 1 7 7 ARG CB C 13 31.142 0.033 . 1 . . . A 7 ARG CB . 17628 1 55 . 1 1 7 7 ARG CG C 13 26.799 0.000 . 1 . . . A 7 ARG CG . 17628 1 56 . 1 1 7 7 ARG CD C 13 43.440 0.000 . 1 . . . A 7 ARG CD . 17628 1 57 . 1 1 7 7 ARG N N 15 122.599 0.048 . 1 . . . A 7 ARG N . 17628 1 58 . 1 1 8 8 GLY H H 1 8.248 0.007 . 1 . . . A 8 GLY H . 17628 1 59 . 1 1 8 8 GLY HA2 H 1 4.191 0.003 . 2 . . . A 8 GLY HA2 . 17628 1 60 . 1 1 8 8 GLY HA3 H 1 4.052 0.002 . 2 . . . A 8 GLY HA3 . 17628 1 61 . 1 1 8 8 GLY C C 13 171.536 0.000 . 1 . . . A 8 GLY C . 17628 1 62 . 1 1 8 8 GLY CA C 13 44.474 0.020 . 1 . . . A 8 GLY CA . 17628 1 63 . 1 1 8 8 GLY N N 15 110.092 0.022 . 1 . . . A 8 GLY N . 17628 1 64 . 1 1 9 9 PRO HA H 1 4.425 0.005 . 1 . . . A 9 PRO HA . 17628 1 65 . 1 1 9 9 PRO HB2 H 1 2.246 0.009 . 2 . . . A 9 PRO HB2 . 17628 1 66 . 1 1 9 9 PRO HB3 H 1 1.965 0.004 . 2 . . . A 9 PRO HB3 . 17628 1 67 . 1 1 9 9 PRO C C 13 176.675 0.006 . 1 . . . A 9 PRO C . 17628 1 68 . 1 1 9 9 PRO CA C 13 63.200 0.024 . 1 . . . A 9 PRO CA . 17628 1 69 . 1 1 9 9 PRO CB C 13 32.242 0.038 . 1 . . . A 9 PRO CB . 17628 1 70 . 1 1 9 9 PRO CG C 13 27.106 0.000 . 1 . . . A 9 PRO CG . 17628 1 71 . 1 1 9 9 PRO CD C 13 49.820 0.000 . 1 . . . A 9 PRO CD . 17628 1 72 . 1 1 10 10 LEU H H 1 8.018 0.005 . 1 . . . A 10 LEU H . 17628 1 73 . 1 1 10 10 LEU HA H 1 4.515 0.003 . 1 . . . A 10 LEU HA . 17628 1 74 . 1 1 10 10 LEU HB2 H 1 1.572 0.003 . 2 . . . A 10 LEU HB2 . 17628 1 75 . 1 1 10 10 LEU HB3 H 1 1.223 0.006 . 2 . . . A 10 LEU HB3 . 17628 1 76 . 1 1 10 10 LEU HD11 H 1 0.761 0.004 . 2 . . . A 10 LEU HD11 . 17628 1 77 . 1 1 10 10 LEU HD12 H 1 0.761 0.004 . 2 . . . A 10 LEU HD12 . 17628 1 78 . 1 1 10 10 LEU HD13 H 1 0.761 0.004 . 2 . . . A 10 LEU HD13 . 17628 1 79 . 1 1 10 10 LEU HD21 H 1 0.639 0.005 . 2 . . . A 10 LEU HD21 . 17628 1 80 . 1 1 10 10 LEU HD22 H 1 0.639 0.005 . 2 . . . A 10 LEU HD22 . 17628 1 81 . 1 1 10 10 LEU HD23 H 1 0.639 0.005 . 2 . . . A 10 LEU HD23 . 17628 1 82 . 1 1 10 10 LEU C C 13 176.413 0.002 . 1 . . . A 10 LEU C . 17628 1 83 . 1 1 10 10 LEU CA C 13 54.400 0.045 . 1 . . . A 10 LEU CA . 17628 1 84 . 1 1 10 10 LEU CB C 13 43.946 0.019 . 1 . . . A 10 LEU CB . 17628 1 85 . 1 1 10 10 LEU CG C 13 26.753 0.000 . 1 . . . A 10 LEU CG . 17628 1 86 . 1 1 10 10 LEU CD1 C 13 25.654 0.035 . 2 . . . A 10 LEU CD1 . 17628 1 87 . 1 1 10 10 LEU CD2 C 13 22.595 0.016 . 2 . . . A 10 LEU CD2 . 17628 1 88 . 1 1 10 10 LEU N N 15 120.335 0.030 . 1 . . . A 10 LEU N . 17628 1 89 . 1 1 11 11 VAL H H 1 9.111 0.008 . 1 . . . A 11 VAL H . 17628 1 90 . 1 1 11 11 VAL HA H 1 4.455 0.003 . 1 . . . A 11 VAL HA . 17628 1 91 . 1 1 11 11 VAL HB H 1 1.836 0.003 . 1 . . . A 11 VAL HB . 17628 1 92 . 1 1 11 11 VAL HG11 H 1 0.788 0.004 . 2 . . . A 11 VAL HG11 . 17628 1 93 . 1 1 11 11 VAL HG12 H 1 0.788 0.004 . 2 . . . A 11 VAL HG12 . 17628 1 94 . 1 1 11 11 VAL HG13 H 1 0.788 0.004 . 2 . . . A 11 VAL HG13 . 17628 1 95 . 1 1 11 11 VAL HG21 H 1 0.777 0.005 . 2 . . . A 11 VAL HG21 . 17628 1 96 . 1 1 11 11 VAL HG22 H 1 0.777 0.005 . 2 . . . A 11 VAL HG22 . 17628 1 97 . 1 1 11 11 VAL HG23 H 1 0.777 0.005 . 2 . . . A 11 VAL HG23 . 17628 1 98 . 1 1 11 11 VAL C C 13 174.141 0.000 . 1 . . . A 11 VAL C . 17628 1 99 . 1 1 11 11 VAL CA C 13 60.268 0.088 . 1 . . . A 11 VAL CA . 17628 1 100 . 1 1 11 11 VAL CB C 13 35.006 0.018 . 1 . . . A 11 VAL CB . 17628 1 101 . 1 1 11 11 VAL CG1 C 13 20.623 0.017 . 2 . . . A 11 VAL CG1 . 17628 1 102 . 1 1 11 11 VAL CG2 C 13 21.830 0.040 . 2 . . . A 11 VAL CG2 . 17628 1 103 . 1 1 11 11 VAL N N 15 120.543 0.030 . 1 . . . A 11 VAL N . 17628 1 104 . 1 1 12 12 THR H H 1 8.886 0.010 . 1 . . . A 12 THR H . 17628 1 105 . 1 1 12 12 THR HA H 1 4.883 0.005 . 1 . . . A 12 THR HA . 17628 1 106 . 1 1 12 12 THR HB H 1 4.134 0.002 . 1 . . . A 12 THR HB . 17628 1 107 . 1 1 12 12 THR HG21 H 1 1.156 0.005 . 1 . . . A 12 THR HG21 . 17628 1 108 . 1 1 12 12 THR HG22 H 1 1.156 0.005 . 1 . . . A 12 THR HG22 . 17628 1 109 . 1 1 12 12 THR HG23 H 1 1.156 0.005 . 1 . . . A 12 THR HG23 . 17628 1 110 . 1 1 12 12 THR C C 13 173.103 0.007 . 1 . . . A 12 THR C . 17628 1 111 . 1 1 12 12 THR CA C 13 62.760 0.127 . 1 . . . A 12 THR CA . 17628 1 112 . 1 1 12 12 THR CB C 13 69.037 0.050 . 1 . . . A 12 THR CB . 17628 1 113 . 1 1 12 12 THR CG2 C 13 21.654 0.048 . 1 . . . A 12 THR CG2 . 17628 1 114 . 1 1 12 12 THR N N 15 120.707 0.028 . 1 . . . A 12 THR N . 17628 1 115 . 1 1 13 13 CYS H H 1 9.165 0.007 . 1 . . . A 13 CYS H . 17628 1 116 . 1 1 13 13 CYS HA H 1 4.882 0.003 . 1 . . . A 13 CYS HA . 17628 1 117 . 1 1 13 13 CYS HB2 H 1 2.904 0.000 . 2 . . . A 13 CYS HB2 . 17628 1 118 . 1 1 13 13 CYS HB3 H 1 2.904 0.000 . 2 . . . A 13 CYS HB3 . 17628 1 119 . 1 1 13 13 CYS C C 13 174.463 0.008 . 1 . . . A 13 CYS C . 17628 1 120 . 1 1 13 13 CYS CA C 13 52.122 0.104 . 1 . . . A 13 CYS CA . 17628 1 121 . 1 1 13 13 CYS CB C 13 42.407 0.085 . 1 . . . A 13 CYS CB . 17628 1 122 . 1 1 13 13 CYS N N 15 124.651 0.023 . 1 . . . A 13 CYS N . 17628 1 123 . 1 1 14 14 THR H H 1 8.931 0.008 . 1 . . . A 14 THR H . 17628 1 124 . 1 1 14 14 THR HA H 1 4.001 0.005 . 1 . . . A 14 THR HA . 17628 1 125 . 1 1 14 14 THR HB H 1 3.480 0.003 . 1 . . . A 14 THR HB . 17628 1 126 . 1 1 14 14 THR HG21 H 1 1.219 0.002 . 1 . . . A 14 THR HG21 . 17628 1 127 . 1 1 14 14 THR HG22 H 1 1.219 0.002 . 1 . . . A 14 THR HG22 . 17628 1 128 . 1 1 14 14 THR HG23 H 1 1.219 0.002 . 1 . . . A 14 THR HG23 . 17628 1 129 . 1 1 14 14 THR C C 13 172.453 0.015 . 1 . . . A 14 THR C . 17628 1 130 . 1 1 14 14 THR CA C 13 66.024 0.131 . 1 . . . A 14 THR CA . 17628 1 131 . 1 1 14 14 THR CB C 13 69.319 0.062 . 1 . . . A 14 THR CB . 17628 1 132 . 1 1 14 14 THR CG2 C 13 23.543 0.017 . 1 . . . A 14 THR CG2 . 17628 1 133 . 1 1 14 14 THR N N 15 121.496 0.029 . 1 . . . A 14 THR N . 17628 1 134 . 1 1 15 15 CYS H H 1 8.227 0.005 . 1 . . . A 15 CYS H . 17628 1 135 . 1 1 15 15 CYS HA H 1 5.034 0.004 . 1 . . . A 15 CYS HA . 17628 1 136 . 1 1 15 15 CYS HB2 H 1 3.784 0.009 . 2 . . . A 15 CYS HB2 . 17628 1 137 . 1 1 15 15 CYS HB3 H 1 1.619 0.005 . 2 . . . A 15 CYS HB3 . 17628 1 138 . 1 1 15 15 CYS C C 13 174.111 0.000 . 1 . . . A 15 CYS C . 17628 1 139 . 1 1 15 15 CYS CA C 13 57.007 0.055 . 1 . . . A 15 CYS CA . 17628 1 140 . 1 1 15 15 CYS CB C 13 37.153 0.015 . 1 . . . A 15 CYS CB . 17628 1 141 . 1 1 15 15 CYS N N 15 129.296 0.026 . 1 . . . A 15 CYS N . 17628 1 142 . 1 1 16 16 GLU H H 1 9.106 0.005 . 1 . . . A 16 GLU H . 17628 1 143 . 1 1 16 16 GLU HA H 1 4.513 0.005 . 1 . . . A 16 GLU HA . 17628 1 144 . 1 1 16 16 GLU HB2 H 1 2.043 0.001 . 2 . . . A 16 GLU HB2 . 17628 1 145 . 1 1 16 16 GLU HB3 H 1 1.828 0.008 . 2 . . . A 16 GLU HB3 . 17628 1 146 . 1 1 16 16 GLU C C 13 173.185 0.000 . 1 . . . A 16 GLU C . 17628 1 147 . 1 1 16 16 GLU CA C 13 56.082 0.029 . 1 . . . A 16 GLU CA . 17628 1 148 . 1 1 16 16 GLU CB C 13 32.050 0.038 . 1 . . . A 16 GLU CB . 17628 1 149 . 1 1 16 16 GLU CG C 13 35.935 0.000 . 1 . . . A 16 GLU CG . 17628 1 150 . 1 1 16 16 GLU N N 15 127.625 0.030 . 1 . . . A 16 GLU N . 17628 1 151 . 1 1 17 17 SER H H 1 7.770 0.005 . 1 . . . A 17 SER H . 17628 1 152 . 1 1 17 17 SER HA H 1 4.503 0.001 . 1 . . . A 17 SER HA . 17628 1 153 . 1 1 17 17 SER HB2 H 1 3.981 0.004 . 2 . . . A 17 SER HB2 . 17628 1 154 . 1 1 17 17 SER HB3 H 1 3.807 0.006 . 2 . . . A 17 SER HB3 . 17628 1 155 . 1 1 17 17 SER C C 13 172.946 0.000 . 1 . . . A 17 SER C . 17628 1 156 . 1 1 17 17 SER CA C 13 57.341 0.003 . 1 . . . A 17 SER CA . 17628 1 157 . 1 1 17 17 SER CB C 13 63.379 0.084 . 1 . . . A 17 SER CB . 17628 1 158 . 1 1 17 17 SER N N 15 123.384 0.036 . 1 . . . A 17 SER N . 17628 1 159 . 1 1 18 18 PRO HA H 1 4.352 0.006 . 1 . . . A 18 PRO HA . 17628 1 160 . 1 1 18 18 PRO HB2 H 1 2.279 0.002 . 2 . . . A 18 PRO HB2 . 17628 1 161 . 1 1 18 18 PRO HB3 H 1 1.461 0.004 . 2 . . . A 18 PRO HB3 . 17628 1 162 . 1 1 18 18 PRO HG2 H 1 1.712 0.000 . 2 . . . A 18 PRO HG2 . 17628 1 163 . 1 1 18 18 PRO HG3 H 1 1.884 0.000 . 2 . . . A 18 PRO HG3 . 17628 1 164 . 1 1 18 18 PRO HD2 H 1 3.336 0.010 . 2 . . . A 18 PRO HD2 . 17628 1 165 . 1 1 18 18 PRO HD3 H 1 3.183 0.008 . 2 . . . A 18 PRO HD3 . 17628 1 166 . 1 1 18 18 PRO C C 13 176.600 0.000 . 1 . . . A 18 PRO C . 17628 1 167 . 1 1 18 18 PRO CA C 13 64.427 0.049 . 1 . . . A 18 PRO CA . 17628 1 168 . 1 1 18 18 PRO CB C 13 32.007 0.030 . 1 . . . A 18 PRO CB . 17628 1 169 . 1 1 18 18 PRO CG C 13 27.054 0.000 . 1 . . . A 18 PRO CG . 17628 1 170 . 1 1 18 18 PRO CD C 13 50.791 0.000 . 1 . . . A 18 PRO CD . 17628 1 171 . 1 1 19 19 HIS H H 1 7.898 0.007 . 1 . . . A 19 HIS H . 17628 1 172 . 1 1 19 19 HIS HA H 1 4.678 0.007 . 1 . . . A 19 HIS HA . 17628 1 173 . 1 1 19 19 HIS HB2 H 1 3.298 0.004 . 2 . . . A 19 HIS HB2 . 17628 1 174 . 1 1 19 19 HIS HB3 H 1 2.922 0.004 . 2 . . . A 19 HIS HB3 . 17628 1 175 . 1 1 19 19 HIS C C 13 175.396 0.000 . 1 . . . A 19 HIS C . 17628 1 176 . 1 1 19 19 HIS CA C 13 55.029 0.034 . 1 . . . A 19 HIS CA . 17628 1 177 . 1 1 19 19 HIS CB C 13 29.408 0.054 . 1 . . . A 19 HIS CB . 17628 1 178 . 1 1 19 19 HIS N N 15 113.110 0.026 . 1 . . . A 19 HIS N . 17628 1 179 . 1 1 20 20 CYS H H 1 7.305 0.006 . 1 . . . A 20 CYS H . 17628 1 180 . 1 1 20 20 CYS HA H 1 4.364 0.017 . 1 . . . A 20 CYS HA . 17628 1 181 . 1 1 20 20 CYS HB2 H 1 3.526 0.001 . 2 . . . A 20 CYS HB2 . 17628 1 182 . 1 1 20 20 CYS HB3 H 1 3.045 0.005 . 2 . . . A 20 CYS HB3 . 17628 1 183 . 1 1 20 20 CYS C C 13 174.956 0.008 . 1 . . . A 20 CYS C . 17628 1 184 . 1 1 20 20 CYS CA C 13 57.764 0.076 . 1 . . . A 20 CYS CA . 17628 1 185 . 1 1 20 20 CYS CB C 13 42.002 0.037 . 1 . . . A 20 CYS CB . 17628 1 186 . 1 1 20 20 CYS N N 15 119.283 0.029 . 1 . . . A 20 CYS N . 17628 1 187 . 1 1 21 21 LYS H H 1 8.851 0.006 . 1 . . . A 21 LYS H . 17628 1 188 . 1 1 21 21 LYS HA H 1 4.403 0.003 . 1 . . . A 21 LYS HA . 17628 1 189 . 1 1 21 21 LYS HB2 H 1 1.746 0.002 . 2 . . . A 21 LYS HB2 . 17628 1 190 . 1 1 21 21 LYS HB3 H 1 1.975 0.000 . 2 . . . A 21 LYS HB3 . 17628 1 191 . 1 1 21 21 LYS C C 13 175.650 0.000 . 1 . . . A 21 LYS C . 17628 1 192 . 1 1 21 21 LYS CA C 13 56.112 0.059 . 1 . . . A 21 LYS CA . 17628 1 193 . 1 1 21 21 LYS CB C 13 32.166 0.015 . 1 . . . A 21 LYS CB . 17628 1 194 . 1 1 21 21 LYS CG C 13 24.962 0.000 . 1 . . . A 21 LYS CG . 17628 1 195 . 1 1 21 21 LYS CD C 13 28.831 0.000 . 1 . . . A 21 LYS CD . 17628 1 196 . 1 1 21 21 LYS CE C 13 42.196 0.000 . 1 . . . A 21 LYS CE . 17628 1 197 . 1 1 21 21 LYS N N 15 124.199 0.025 . 1 . . . A 21 LYS N . 17628 1 198 . 1 1 22 22 GLY H H 1 7.768 0.006 . 1 . . . A 22 GLY H . 17628 1 199 . 1 1 22 22 GLY HA2 H 1 4.183 0.000 . 2 . . . A 22 GLY HA2 . 17628 1 200 . 1 1 22 22 GLY HA3 H 1 4.183 0.000 . 2 . . . A 22 GLY HA3 . 17628 1 201 . 1 1 22 22 GLY C C 13 171.467 0.000 . 1 . . . A 22 GLY C . 17628 1 202 . 1 1 22 22 GLY CA C 13 44.437 0.000 . 1 . . . A 22 GLY CA . 17628 1 203 . 1 1 22 22 GLY N N 15 108.943 0.040 . 1 . . . A 22 GLY N . 17628 1 204 . 1 1 23 23 PRO HA H 1 4.814 0.006 . 1 . . . A 23 PRO HA . 17628 1 205 . 1 1 23 23 PRO HB2 H 1 2.373 0.007 . 2 . . . A 23 PRO HB2 . 17628 1 206 . 1 1 23 23 PRO HB3 H 1 2.105 0.006 . 2 . . . A 23 PRO HB3 . 17628 1 207 . 1 1 23 23 PRO HG2 H 1 1.988 0.002 . 2 . . . A 23 PRO HG2 . 17628 1 208 . 1 1 23 23 PRO HG3 H 1 1.988 0.002 . 2 . . . A 23 PRO HG3 . 17628 1 209 . 1 1 23 23 PRO HD2 H 1 3.791 0.002 . 2 . . . A 23 PRO HD2 . 17628 1 210 . 1 1 23 23 PRO HD3 H 1 3.542 0.004 . 2 . . . A 23 PRO HD3 . 17628 1 211 . 1 1 23 23 PRO C C 13 177.578 0.000 . 1 . . . A 23 PRO C . 17628 1 212 . 1 1 23 23 PRO CA C 13 64.210 0.109 . 1 . . . A 23 PRO CA . 17628 1 213 . 1 1 23 23 PRO CB C 13 32.385 0.045 . 1 . . . A 23 PRO CB . 17628 1 214 . 1 1 23 23 PRO CG C 13 26.821 0.000 . 1 . . . A 23 PRO CG . 17628 1 215 . 1 1 23 23 PRO CD C 13 49.274 0.014 . 1 . . . A 23 PRO CD . 17628 1 216 . 1 1 24 24 THR H H 1 7.599 0.005 . 1 . . . A 24 THR H . 17628 1 217 . 1 1 24 24 THR HA H 1 5.358 0.002 . 1 . . . A 24 THR HA . 17628 1 218 . 1 1 24 24 THR HB H 1 4.217 0.004 . 1 . . . A 24 THR HB . 17628 1 219 . 1 1 24 24 THR HG21 H 1 0.984 0.004 . 1 . . . A 24 THR HG21 . 17628 1 220 . 1 1 24 24 THR HG22 H 1 0.984 0.004 . 1 . . . A 24 THR HG22 . 17628 1 221 . 1 1 24 24 THR HG23 H 1 0.984 0.004 . 1 . . . A 24 THR HG23 . 17628 1 222 . 1 1 24 24 THR C C 13 173.043 0.007 . 1 . . . A 24 THR C . 17628 1 223 . 1 1 24 24 THR CA C 13 59.041 0.036 . 1 . . . A 24 THR CA . 17628 1 224 . 1 1 24 24 THR CB C 13 73.255 0.047 . 1 . . . A 24 THR CB . 17628 1 225 . 1 1 24 24 THR CG2 C 13 21.563 0.002 . 1 . . . A 24 THR CG2 . 17628 1 226 . 1 1 24 24 THR N N 15 108.931 0.025 . 1 . . . A 24 THR N . 17628 1 227 . 1 1 25 25 CYS H H 1 8.872 0.006 . 1 . . . A 25 CYS H . 17628 1 228 . 1 1 25 25 CYS HA H 1 4.866 0.003 . 1 . . . A 25 CYS HA . 17628 1 229 . 1 1 25 25 CYS HB2 H 1 3.475 0.004 . 2 . . . A 25 CYS HB2 . 17628 1 230 . 1 1 25 25 CYS HB3 H 1 2.811 0.026 . 2 . . . A 25 CYS HB3 . 17628 1 231 . 1 1 25 25 CYS C C 13 171.952 0.023 . 1 . . . A 25 CYS C . 17628 1 232 . 1 1 25 25 CYS CA C 13 53.487 0.074 . 1 . . . A 25 CYS CA . 17628 1 233 . 1 1 25 25 CYS CB C 13 46.385 0.020 . 1 . . . A 25 CYS CB . 17628 1 234 . 1 1 25 25 CYS N N 15 115.152 0.037 . 1 . . . A 25 CYS N . 17628 1 235 . 1 1 26 26 ARG H H 1 8.481 0.006 . 1 . . . A 26 ARG H . 17628 1 236 . 1 1 26 26 ARG HA H 1 5.577 0.003 . 1 . . . A 26 ARG HA . 17628 1 237 . 1 1 26 26 ARG HB2 H 1 1.542 0.018 . 2 . . . A 26 ARG HB2 . 17628 1 238 . 1 1 26 26 ARG HB3 H 1 1.542 0.018 . 2 . . . A 26 ARG HB3 . 17628 1 239 . 1 1 26 26 ARG HG2 H 1 1.602 0.002 . 2 . . . A 26 ARG HG2 . 17628 1 240 . 1 1 26 26 ARG HG3 H 1 1.602 0.002 . 2 . . . A 26 ARG HG3 . 17628 1 241 . 1 1 26 26 ARG HD2 H 1 3.060 0.004 . 2 . . . A 26 ARG HD2 . 17628 1 242 . 1 1 26 26 ARG HD3 H 1 3.060 0.004 . 2 . . . A 26 ARG HD3 . 17628 1 243 . 1 1 26 26 ARG C C 13 176.621 0.014 . 1 . . . A 26 ARG C . 17628 1 244 . 1 1 26 26 ARG CA C 13 54.125 0.050 . 1 . . . A 26 ARG CA . 17628 1 245 . 1 1 26 26 ARG CB C 13 32.588 0.041 . 1 . . . A 26 ARG CB . 17628 1 246 . 1 1 26 26 ARG CG C 13 27.031 0.000 . 1 . . . A 26 ARG CG . 17628 1 247 . 1 1 26 26 ARG CD C 13 43.678 0.035 . 1 . . . A 26 ARG CD . 17628 1 248 . 1 1 26 26 ARG N N 15 119.551 0.044 . 1 . . . A 26 ARG N . 17628 1 249 . 1 1 27 27 GLY H H 1 8.866 0.006 . 1 . . . A 27 GLY H . 17628 1 250 . 1 1 27 27 GLY HA2 H 1 4.415 0.003 . 2 . . . A 27 GLY HA2 . 17628 1 251 . 1 1 27 27 GLY HA3 H 1 3.329 0.005 . 2 . . . A 27 GLY HA3 . 17628 1 252 . 1 1 27 27 GLY C C 13 170.250 0.007 . 1 . . . A 27 GLY C . 17628 1 253 . 1 1 27 27 GLY CA C 13 45.133 0.048 . 1 . . . A 27 GLY CA . 17628 1 254 . 1 1 27 27 GLY N N 15 111.192 0.031 . 1 . . . A 27 GLY N . 17628 1 255 . 1 1 28 28 ALA H H 1 7.732 0.008 . 1 . . . A 28 ALA H . 17628 1 256 . 1 1 28 28 ALA HA H 1 4.413 0.005 . 1 . . . A 28 ALA HA . 17628 1 257 . 1 1 28 28 ALA HB1 H 1 1.490 0.002 . 1 . . . A 28 ALA HB1 . 17628 1 258 . 1 1 28 28 ALA HB2 H 1 1.490 0.002 . 1 . . . A 28 ALA HB2 . 17628 1 259 . 1 1 28 28 ALA HB3 H 1 1.490 0.002 . 1 . . . A 28 ALA HB3 . 17628 1 260 . 1 1 28 28 ALA C C 13 177.525 0.007 . 1 . . . A 28 ALA C . 17628 1 261 . 1 1 28 28 ALA CA C 13 54.717 0.055 . 1 . . . A 28 ALA CA . 17628 1 262 . 1 1 28 28 ALA CB C 13 19.214 0.019 . 1 . . . A 28 ALA CB . 17628 1 263 . 1 1 28 28 ALA N N 15 123.763 0.029 . 1 . . . A 28 ALA N . 17628 1 264 . 1 1 29 29 TRP H H 1 7.830 0.004 . 1 . . . A 29 TRP H . 17628 1 265 . 1 1 29 29 TRP HA H 1 4.640 0.001 . 1 . . . A 29 TRP HA . 17628 1 266 . 1 1 29 29 TRP HB2 H 1 3.532 0.009 . 2 . . . A 29 TRP HB2 . 17628 1 267 . 1 1 29 29 TRP HB3 H 1 3.304 0.005 . 2 . . . A 29 TRP HB3 . 17628 1 268 . 1 1 29 29 TRP C C 13 172.901 0.000 . 1 . . . A 29 TRP C . 17628 1 269 . 1 1 29 29 TRP CA C 13 57.762 0.034 . 1 . . . A 29 TRP CA . 17628 1 270 . 1 1 29 29 TRP CB C 13 29.606 0.025 . 1 . . . A 29 TRP CB . 17628 1 271 . 1 1 29 29 TRP N N 15 112.576 0.028 . 1 . . . A 29 TRP N . 17628 1 272 . 1 1 30 30 CYS H H 1 9.319 0.095 . 1 . . . A 30 CYS H . 17628 1 273 . 1 1 30 30 CYS HA H 1 5.894 0.004 . 1 . . . A 30 CYS HA . 17628 1 274 . 1 1 30 30 CYS HB2 H 1 3.175 0.007 . 2 . . . A 30 CYS HB2 . 17628 1 275 . 1 1 30 30 CYS HB3 H 1 3.175 0.007 . 2 . . . A 30 CYS HB3 . 17628 1 276 . 1 1 30 30 CYS C C 13 176.719 0.008 . 1 . . . A 30 CYS C . 17628 1 277 . 1 1 30 30 CYS CA C 13 51.697 0.057 . 1 . . . A 30 CYS CA . 17628 1 278 . 1 1 30 30 CYS CB C 13 38.255 0.042 . 1 . . . A 30 CYS CB . 17628 1 279 . 1 1 30 30 CYS N N 15 116.421 0.029 . 1 . . . A 30 CYS N . 17628 1 280 . 1 1 31 31 THR H H 1 8.936 0.005 . 1 . . . A 31 THR H . 17628 1 281 . 1 1 31 31 THR HA H 1 5.917 0.003 . 1 . . . A 31 THR HA . 17628 1 282 . 1 1 31 31 THR HB H 1 4.019 0.002 . 1 . . . A 31 THR HB . 17628 1 283 . 1 1 31 31 THR HG21 H 1 1.232 0.003 . 1 . . . A 31 THR HG21 . 17628 1 284 . 1 1 31 31 THR HG22 H 1 1.232 0.003 . 1 . . . A 31 THR HG22 . 17628 1 285 . 1 1 31 31 THR HG23 H 1 1.232 0.003 . 1 . . . A 31 THR HG23 . 17628 1 286 . 1 1 31 31 THR C C 13 177.249 0.015 . 1 . . . A 31 THR C . 17628 1 287 . 1 1 31 31 THR CA C 13 59.845 0.038 . 1 . . . A 31 THR CA . 17628 1 288 . 1 1 31 31 THR CB C 13 72.586 0.087 . 1 . . . A 31 THR CB . 17628 1 289 . 1 1 31 31 THR CG2 C 13 22.829 0.011 . 1 . . . A 31 THR CG2 . 17628 1 290 . 1 1 31 31 THR N N 15 110.073 0.021 . 1 . . . A 31 THR N . 17628 1 291 . 1 1 32 32 VAL H H 1 8.841 0.005 . 1 . . . A 32 VAL H . 17628 1 292 . 1 1 32 32 VAL HA H 1 4.762 0.008 . 1 . . . A 32 VAL HA . 17628 1 293 . 1 1 32 32 VAL HB H 1 1.947 0.002 . 1 . . . A 32 VAL HB . 17628 1 294 . 1 1 32 32 VAL HG11 H 1 1.131 0.006 . 2 . . . A 32 VAL HG11 . 17628 1 295 . 1 1 32 32 VAL HG12 H 1 1.131 0.006 . 2 . . . A 32 VAL HG12 . 17628 1 296 . 1 1 32 32 VAL HG13 H 1 1.131 0.006 . 2 . . . A 32 VAL HG13 . 17628 1 297 . 1 1 32 32 VAL HG21 H 1 0.891 0.004 . 2 . . . A 32 VAL HG21 . 17628 1 298 . 1 1 32 32 VAL HG22 H 1 0.891 0.004 . 2 . . . A 32 VAL HG22 . 17628 1 299 . 1 1 32 32 VAL HG23 H 1 0.891 0.004 . 2 . . . A 32 VAL HG23 . 17628 1 300 . 1 1 32 32 VAL C C 13 173.813 0.000 . 1 . . . A 32 VAL C . 17628 1 301 . 1 1 32 32 VAL CA C 13 63.719 0.032 . 1 . . . A 32 VAL CA . 17628 1 302 . 1 1 32 32 VAL CB C 13 34.872 0.035 . 1 . . . A 32 VAL CB . 17628 1 303 . 1 1 32 32 VAL CG1 C 13 23.459 0.020 . 2 . . . A 32 VAL CG1 . 17628 1 304 . 1 1 32 32 VAL CG2 C 13 21.543 0.018 . 2 . . . A 32 VAL CG2 . 17628 1 305 . 1 1 32 32 VAL N N 15 122.685 0.049 . 1 . . . A 32 VAL N . 17628 1 306 . 1 1 33 33 VAL H H 1 9.047 0.009 . 1 . . . A 33 VAL H . 17628 1 307 . 1 1 33 33 VAL HA H 1 4.787 0.006 . 1 . . . A 33 VAL HA . 17628 1 308 . 1 1 33 33 VAL HB H 1 1.832 0.002 . 1 . . . A 33 VAL HB . 17628 1 309 . 1 1 33 33 VAL HG11 H 1 0.664 0.006 . 2 . . . A 33 VAL HG11 . 17628 1 310 . 1 1 33 33 VAL HG12 H 1 0.664 0.006 . 2 . . . A 33 VAL HG12 . 17628 1 311 . 1 1 33 33 VAL HG13 H 1 0.664 0.006 . 2 . . . A 33 VAL HG13 . 17628 1 312 . 1 1 33 33 VAL HG21 H 1 0.760 0.004 . 2 . . . A 33 VAL HG21 . 17628 1 313 . 1 1 33 33 VAL HG22 H 1 0.760 0.004 . 2 . . . A 33 VAL HG22 . 17628 1 314 . 1 1 33 33 VAL HG23 H 1 0.760 0.004 . 2 . . . A 33 VAL HG23 . 17628 1 315 . 1 1 33 33 VAL C C 13 174.014 0.008 . 1 . . . A 33 VAL C . 17628 1 316 . 1 1 33 33 VAL CA C 13 60.462 0.046 . 1 . . . A 33 VAL CA . 17628 1 317 . 1 1 33 33 VAL CB C 13 35.688 0.038 . 1 . . . A 33 VAL CB . 17628 1 318 . 1 1 33 33 VAL CG1 C 13 20.499 0.077 . 2 . . . A 33 VAL CG1 . 17628 1 319 . 1 1 33 33 VAL CG2 C 13 21.093 0.096 . 2 . . . A 33 VAL CG2 . 17628 1 320 . 1 1 33 33 VAL N N 15 124.915 0.131 . 1 . . . A 33 VAL N . 17628 1 321 . 1 1 34 34 LEU H H 1 8.450 0.008 . 1 . . . A 34 LEU H . 17628 1 322 . 1 1 34 34 LEU HA H 1 4.889 0.003 . 1 . . . A 34 LEU HA . 17628 1 323 . 1 1 34 34 LEU HB2 H 1 1.668 0.004 . 2 . . . A 34 LEU HB2 . 17628 1 324 . 1 1 34 34 LEU HB3 H 1 1.448 0.004 . 2 . . . A 34 LEU HB3 . 17628 1 325 . 1 1 34 34 LEU HG H 1 1.383 0.000 . 1 . . . A 34 LEU HG . 17628 1 326 . 1 1 34 34 LEU HD11 H 1 0.767 0.002 . 2 . . . A 34 LEU HD11 . 17628 1 327 . 1 1 34 34 LEU HD12 H 1 0.767 0.002 . 2 . . . A 34 LEU HD12 . 17628 1 328 . 1 1 34 34 LEU HD13 H 1 0.767 0.002 . 2 . . . A 34 LEU HD13 . 17628 1 329 . 1 1 34 34 LEU HD21 H 1 0.757 0.001 . 2 . . . A 34 LEU HD21 . 17628 1 330 . 1 1 34 34 LEU HD22 H 1 0.757 0.001 . 2 . . . A 34 LEU HD22 . 17628 1 331 . 1 1 34 34 LEU HD23 H 1 0.757 0.001 . 2 . . . A 34 LEU HD23 . 17628 1 332 . 1 1 34 34 LEU C C 13 175.433 0.008 . 1 . . . A 34 LEU C . 17628 1 333 . 1 1 34 34 LEU CA C 13 54.015 0.051 . 1 . . . A 34 LEU CA . 17628 1 334 . 1 1 34 34 LEU CB C 13 44.427 0.082 . 1 . . . A 34 LEU CB . 17628 1 335 . 1 1 34 34 LEU CG C 13 27.459 0.008 . 1 . . . A 34 LEU CG . 17628 1 336 . 1 1 34 34 LEU CD1 C 13 24.617 0.033 . 2 . . . A 34 LEU CD1 . 17628 1 337 . 1 1 34 34 LEU CD2 C 13 25.715 0.034 . 2 . . . A 34 LEU CD2 . 17628 1 338 . 1 1 34 34 LEU N N 15 127.771 0.038 . 1 . . . A 34 LEU N . 17628 1 339 . 1 1 35 35 VAL H H 1 8.868 0.008 . 1 . . . A 35 VAL H . 17628 1 340 . 1 1 35 35 VAL HA H 1 4.376 0.007 . 1 . . . A 35 VAL HA . 17628 1 341 . 1 1 35 35 VAL HB H 1 1.728 0.004 . 1 . . . A 35 VAL HB . 17628 1 342 . 1 1 35 35 VAL HG11 H 1 0.793 0.001 . 2 . . . A 35 VAL HG11 . 17628 1 343 . 1 1 35 35 VAL HG12 H 1 0.793 0.001 . 2 . . . A 35 VAL HG12 . 17628 1 344 . 1 1 35 35 VAL HG13 H 1 0.793 0.001 . 2 . . . A 35 VAL HG13 . 17628 1 345 . 1 1 35 35 VAL HG21 H 1 0.579 0.004 . 2 . . . A 35 VAL HG21 . 17628 1 346 . 1 1 35 35 VAL HG22 H 1 0.579 0.004 . 2 . . . A 35 VAL HG22 . 17628 1 347 . 1 1 35 35 VAL HG23 H 1 0.579 0.004 . 2 . . . A 35 VAL HG23 . 17628 1 348 . 1 1 35 35 VAL C C 13 175.098 0.000 . 1 . . . A 35 VAL C . 17628 1 349 . 1 1 35 35 VAL CA C 13 61.301 0.007 . 1 . . . A 35 VAL CA . 17628 1 350 . 1 1 35 35 VAL CB C 13 34.190 0.027 . 1 . . . A 35 VAL CB . 17628 1 351 . 1 1 35 35 VAL CG1 C 13 21.041 0.019 . 2 . . . A 35 VAL CG1 . 17628 1 352 . 1 1 35 35 VAL CG2 C 13 20.181 0.034 . 2 . . . A 35 VAL CG2 . 17628 1 353 . 1 1 35 35 VAL N N 15 125.904 0.069 . 1 . . . A 35 VAL N . 17628 1 354 . 1 1 36 36 ARG H H 1 8.665 0.006 . 1 . . . A 36 ARG H . 17628 1 355 . 1 1 36 36 ARG HA H 1 4.516 0.011 . 1 . . . A 36 ARG HA . 17628 1 356 . 1 1 36 36 ARG HB2 H 1 1.666 0.000 . 2 . . . A 36 ARG HB2 . 17628 1 357 . 1 1 36 36 ARG HB3 H 1 1.666 0.000 . 2 . . . A 36 ARG HB3 . 17628 1 358 . 1 1 36 36 ARG HG2 H 1 1.485 0.011 . 2 . . . A 36 ARG HG2 . 17628 1 359 . 1 1 36 36 ARG HG3 H 1 1.386 0.004 . 2 . . . A 36 ARG HG3 . 17628 1 360 . 1 1 36 36 ARG HD2 H 1 3.093 0.004 . 2 . . . A 36 ARG HD2 . 17628 1 361 . 1 1 36 36 ARG HD3 H 1 3.093 0.004 . 2 . . . A 36 ARG HD3 . 17628 1 362 . 1 1 36 36 ARG C C 13 175.068 0.015 . 1 . . . A 36 ARG C . 17628 1 363 . 1 1 36 36 ARG CA C 13 55.524 0.038 . 1 . . . A 36 ARG CA . 17628 1 364 . 1 1 36 36 ARG CB C 13 31.603 0.081 . 1 . . . A 36 ARG CB . 17628 1 365 . 1 1 36 36 ARG CG C 13 27.740 0.043 . 1 . . . A 36 ARG CG . 17628 1 366 . 1 1 36 36 ARG CD C 13 43.602 0.034 . 1 . . . A 36 ARG CD . 17628 1 367 . 1 1 36 36 ARG N N 15 127.282 0.065 . 1 . . . A 36 ARG N . 17628 1 368 . 1 1 37 37 GLU H H 1 8.458 0.006 . 1 . . . A 37 GLU H . 17628 1 369 . 1 1 37 37 GLU HA H 1 4.398 0.004 . 1 . . . A 37 GLU HA . 17628 1 370 . 1 1 37 37 GLU HB2 H 1 1.925 0.009 . 2 . . . A 37 GLU HB2 . 17628 1 371 . 1 1 37 37 GLU HB3 H 1 1.763 0.010 . 2 . . . A 37 GLU HB3 . 17628 1 372 . 1 1 37 37 GLU C C 13 175.762 0.008 . 1 . . . A 37 GLU C . 17628 1 373 . 1 1 37 37 GLU CA C 13 55.477 0.038 . 1 . . . A 37 GLU CA . 17628 1 374 . 1 1 37 37 GLU CB C 13 31.724 0.070 . 1 . . . A 37 GLU CB . 17628 1 375 . 1 1 37 37 GLU CG C 13 36.238 0.000 . 1 . . . A 37 GLU CG . 17628 1 376 . 1 1 37 37 GLU N N 15 124.628 0.030 . 1 . . . A 37 GLU N . 17628 1 377 . 1 1 38 38 GLU H H 1 8.628 0.007 . 1 . . . A 38 GLU H . 17628 1 378 . 1 1 38 38 GLU HA H 1 4.028 0.004 . 1 . . . A 38 GLU HA . 17628 1 379 . 1 1 38 38 GLU HB2 H 1 1.973 0.001 . 2 . . . A 38 GLU HB2 . 17628 1 380 . 1 1 38 38 GLU HB3 H 1 1.973 0.001 . 2 . . . A 38 GLU HB3 . 17628 1 381 . 1 1 38 38 GLU HG2 H 1 2.245 0.001 . 2 . . . A 38 GLU HG2 . 17628 1 382 . 1 1 38 38 GLU HG3 H 1 2.245 0.001 . 2 . . . A 38 GLU HG3 . 17628 1 383 . 1 1 38 38 GLU C C 13 177.354 0.015 . 1 . . . A 38 GLU C . 17628 1 384 . 1 1 38 38 GLU CA C 13 57.924 0.092 . 1 . . . A 38 GLU CA . 17628 1 385 . 1 1 38 38 GLU CB C 13 29.270 0.038 . 1 . . . A 38 GLU CB . 17628 1 386 . 1 1 38 38 GLU CG C 13 35.968 0.000 . 1 . . . A 38 GLU CG . 17628 1 387 . 1 1 38 38 GLU N N 15 123.236 0.030 . 1 . . . A 38 GLU N . 17628 1 388 . 1 1 39 39 GLY H H 1 8.670 0.006 . 1 . . . A 39 GLY H . 17628 1 389 . 1 1 39 39 GLY HA2 H 1 4.086 0.006 . 2 . . . A 39 GLY HA2 . 17628 1 390 . 1 1 39 39 GLY HA3 H 1 3.735 0.003 . 2 . . . A 39 GLY HA3 . 17628 1 391 . 1 1 39 39 GLY C C 13 173.954 0.008 . 1 . . . A 39 GLY C . 17628 1 392 . 1 1 39 39 GLY CA C 13 45.592 0.040 . 1 . . . A 39 GLY CA . 17628 1 393 . 1 1 39 39 GLY N N 15 111.764 0.032 . 1 . . . A 39 GLY N . 17628 1 394 . 1 1 40 40 ARG H H 1 7.905 0.004 . 1 . . . A 40 ARG H . 17628 1 395 . 1 1 40 40 ARG HA H 1 4.589 0.010 . 1 . . . A 40 ARG HA . 17628 1 396 . 1 1 40 40 ARG HB2 H 1 1.887 0.014 . 2 . . . A 40 ARG HB2 . 17628 1 397 . 1 1 40 40 ARG HB3 H 1 1.691 0.009 . 2 . . . A 40 ARG HB3 . 17628 1 398 . 1 1 40 40 ARG C C 13 175.874 0.000 . 1 . . . A 40 ARG C . 17628 1 399 . 1 1 40 40 ARG CA C 13 54.585 0.017 . 1 . . . A 40 ARG CA . 17628 1 400 . 1 1 40 40 ARG CB C 13 32.502 0.045 . 1 . . . A 40 ARG CB . 17628 1 401 . 1 1 40 40 ARG CG C 13 26.744 0.000 . 1 . . . A 40 ARG CG . 17628 1 402 . 1 1 40 40 ARG CD C 13 43.260 0.000 . 1 . . . A 40 ARG CD . 17628 1 403 . 1 1 40 40 ARG N N 15 118.313 0.092 . 1 . . . A 40 ARG N . 17628 1 404 . 1 1 41 41 HIS H H 1 8.512 0.008 . 1 . . . A 41 HIS H . 17628 1 405 . 1 1 41 41 HIS HA H 1 4.855 0.003 . 1 . . . A 41 HIS HA . 17628 1 406 . 1 1 41 41 HIS HB2 H 1 3.131 0.011 . 2 . . . A 41 HIS HB2 . 17628 1 407 . 1 1 41 41 HIS HB3 H 1 3.221 0.006 . 2 . . . A 41 HIS HB3 . 17628 1 408 . 1 1 41 41 HIS C C 13 173.290 0.000 . 1 . . . A 41 HIS C . 17628 1 409 . 1 1 41 41 HIS CA C 13 54.206 0.033 . 1 . . . A 41 HIS CA . 17628 1 410 . 1 1 41 41 HIS CB C 13 28.189 0.026 . 1 . . . A 41 HIS CB . 17628 1 411 . 1 1 41 41 HIS N N 15 120.013 0.065 . 1 . . . A 41 HIS N . 17628 1 412 . 1 1 42 42 PRO HA H 1 4.640 0.005 . 1 . . . A 42 PRO HA . 17628 1 413 . 1 1 42 42 PRO HB2 H 1 2.046 0.004 . 2 . . . A 42 PRO HB2 . 17628 1 414 . 1 1 42 42 PRO HB3 H 1 1.777 0.000 . 2 . . . A 42 PRO HB3 . 17628 1 415 . 1 1 42 42 PRO C C 13 175.777 0.000 . 1 . . . A 42 PRO C . 17628 1 416 . 1 1 42 42 PRO CA C 13 63.520 0.000 . 1 . . . A 42 PRO CA . 17628 1 417 . 1 1 42 42 PRO CB C 13 32.493 0.000 . 1 . . . A 42 PRO CB . 17628 1 418 . 1 1 43 43 GLN H H 1 8.524 0.005 . 1 . . . A 43 GLN H . 17628 1 419 . 1 1 43 43 GLN HA H 1 4.597 0.000 . 1 . . . A 43 GLN HA . 17628 1 420 . 1 1 43 43 GLN HB2 H 1 1.797 0.000 . 2 . . . A 43 GLN HB2 . 17628 1 421 . 1 1 43 43 GLN HB3 H 1 1.996 0.000 . 2 . . . A 43 GLN HB3 . 17628 1 422 . 1 1 43 43 GLN C C 13 173.963 0.000 . 1 . . . A 43 GLN C . 17628 1 423 . 1 1 43 43 GLN CA C 13 54.484 0.078 . 1 . . . A 43 GLN CA . 17628 1 424 . 1 1 43 43 GLN CB C 13 32.563 0.043 . 1 . . . A 43 GLN CB . 17628 1 425 . 1 1 43 43 GLN CG C 13 33.786 0.000 . 1 . . . A 43 GLN CG . 17628 1 426 . 1 1 43 43 GLN N N 15 120.474 0.047 . 1 . . . A 43 GLN N . 17628 1 427 . 1 1 44 44 GLU H H 1 8.751 0.011 . 1 . . . A 44 GLU H . 17628 1 428 . 1 1 44 44 GLU HA H 1 5.087 0.003 . 1 . . . A 44 GLU HA . 17628 1 429 . 1 1 44 44 GLU HB2 H 1 1.849 0.017 . 2 . . . A 44 GLU HB2 . 17628 1 430 . 1 1 44 44 GLU HB3 H 1 1.805 0.003 . 2 . . . A 44 GLU HB3 . 17628 1 431 . 1 1 44 44 GLU HG2 H 1 2.015 0.008 . 2 . . . A 44 GLU HG2 . 17628 1 432 . 1 1 44 44 GLU HG3 H 1 2.015 0.008 . 2 . . . A 44 GLU HG3 . 17628 1 433 . 1 1 44 44 GLU C C 13 175.650 0.000 . 1 . . . A 44 GLU C . 17628 1 434 . 1 1 44 44 GLU CA C 13 55.435 0.045 . 1 . . . A 44 GLU CA . 17628 1 435 . 1 1 44 44 GLU CB C 13 31.538 0.035 . 1 . . . A 44 GLU CB . 17628 1 436 . 1 1 44 44 GLU CG C 13 36.913 0.000 . 1 . . . A 44 GLU CG . 17628 1 437 . 1 1 44 44 GLU N N 15 122.323 0.030 . 1 . . . A 44 GLU N . 17628 1 438 . 1 1 45 45 HIS H H 1 9.202 0.039 . 1 . . . A 45 HIS H . 17628 1 439 . 1 1 45 45 HIS HA H 1 5.389 0.003 . 1 . . . A 45 HIS HA . 17628 1 440 . 1 1 45 45 HIS HB2 H 1 3.130 0.027 . 2 . . . A 45 HIS HB2 . 17628 1 441 . 1 1 45 45 HIS HB3 H 1 3.030 0.002 . 2 . . . A 45 HIS HB3 . 17628 1 442 . 1 1 45 45 HIS C C 13 174.918 0.000 . 1 . . . A 45 HIS C . 17628 1 443 . 1 1 45 45 HIS CA C 13 53.158 0.061 . 1 . . . A 45 HIS CA . 17628 1 444 . 1 1 45 45 HIS CB C 13 33.390 0.036 . 1 . . . A 45 HIS CB . 17628 1 445 . 1 1 45 45 HIS N N 15 122.818 0.089 . 1 . . . A 45 HIS N . 17628 1 446 . 1 1 46 46 ARG H H 1 8.847 0.005 . 1 . . . A 46 ARG H . 17628 1 447 . 1 1 46 46 ARG HA H 1 5.217 0.006 . 1 . . . A 46 ARG HA . 17628 1 448 . 1 1 46 46 ARG HB2 H 1 2.546 0.232 . 2 . . . A 46 ARG HB2 . 17628 1 449 . 1 1 46 46 ARG HB3 H 1 1.792 0.027 . 2 . . . A 46 ARG HB3 . 17628 1 450 . 1 1 46 46 ARG HG2 H 1 1.487 0.001 . 2 . . . A 46 ARG HG2 . 17628 1 451 . 1 1 46 46 ARG HG3 H 1 1.487 0.001 . 2 . . . A 46 ARG HG3 . 17628 1 452 . 1 1 46 46 ARG HD2 H 1 3.204 0.001 . 2 . . . A 46 ARG HD2 . 17628 1 453 . 1 1 46 46 ARG HD3 H 1 3.158 0.005 . 2 . . . A 46 ARG HD3 . 17628 1 454 . 1 1 46 46 ARG C C 13 176.255 0.023 . 1 . . . A 46 ARG C . 17628 1 455 . 1 1 46 46 ARG CA C 13 54.844 0.084 . 1 . . . A 46 ARG CA . 17628 1 456 . 1 1 46 46 ARG CB C 13 32.393 0.068 . 1 . . . A 46 ARG CB . 17628 1 457 . 1 1 46 46 ARG CG C 13 29.101 0.000 . 1 . . . A 46 ARG CG . 17628 1 458 . 1 1 46 46 ARG CD C 13 43.242 0.071 . 1 . . . A 46 ARG CD . 17628 1 459 . 1 1 46 46 ARG N N 15 122.260 0.063 . 1 . . . A 46 ARG N . 17628 1 460 . 1 1 47 47 GLY H H 1 8.210 0.007 . 1 . . . A 47 GLY H . 17628 1 461 . 1 1 47 47 GLY HA2 H 1 4.471 0.002 . 2 . . . A 47 GLY HA2 . 17628 1 462 . 1 1 47 47 GLY HA3 H 1 3.862 0.004 . 2 . . . A 47 GLY HA3 . 17628 1 463 . 1 1 47 47 GLY C C 13 171.175 0.008 . 1 . . . A 47 GLY C . 17628 1 464 . 1 1 47 47 GLY CA C 13 47.672 0.048 . 1 . . . A 47 GLY CA . 17628 1 465 . 1 1 47 47 GLY N N 15 114.135 0.066 . 1 . . . A 47 GLY N . 17628 1 466 . 1 1 48 48 CYS H H 1 8.322 0.006 . 1 . . . A 48 CYS H . 17628 1 467 . 1 1 48 48 CYS HA H 1 5.192 0.006 . 1 . . . A 48 CYS HA . 17628 1 468 . 1 1 48 48 CYS HB2 H 1 2.891 0.005 . 2 . . . A 48 CYS HB2 . 17628 1 469 . 1 1 48 48 CYS HB3 H 1 2.443 0.006 . 2 . . . A 48 CYS HB3 . 17628 1 470 . 1 1 48 48 CYS C C 13 173.522 0.008 . 1 . . . A 48 CYS C . 17628 1 471 . 1 1 48 48 CYS CA C 13 58.600 0.036 . 1 . . . A 48 CYS CA . 17628 1 472 . 1 1 48 48 CYS CB C 13 44.933 0.031 . 1 . . . A 48 CYS CB . 17628 1 473 . 1 1 48 48 CYS N N 15 118.698 0.026 . 1 . . . A 48 CYS N . 17628 1 474 . 1 1 49 49 GLY H H 1 8.679 0.006 . 1 . . . A 49 GLY H . 17628 1 475 . 1 1 49 49 GLY HA2 H 1 4.052 0.009 . 2 . . . A 49 GLY HA2 . 17628 1 476 . 1 1 49 49 GLY HA3 H 1 2.235 0.005 . 2 . . . A 49 GLY HA3 . 17628 1 477 . 1 1 49 49 GLY C C 13 170.413 0.008 . 1 . . . A 49 GLY C . 17628 1 478 . 1 1 49 49 GLY CA C 13 43.104 0.040 . 1 . . . A 49 GLY CA . 17628 1 479 . 1 1 49 49 GLY N N 15 112.213 0.098 . 1 . . . A 49 GLY N . 17628 1 480 . 1 1 50 50 ASN H H 1 8.103 0.006 . 1 . . . A 50 ASN H . 17628 1 481 . 1 1 50 50 ASN HA H 1 4.028 0.002 . 1 . . . A 50 ASN HA . 17628 1 482 . 1 1 50 50 ASN HB2 H 1 2.481 0.000 . 2 . . . A 50 ASN HB2 . 17628 1 483 . 1 1 50 50 ASN HB3 H 1 2.345 0.000 . 2 . . . A 50 ASN HB3 . 17628 1 484 . 1 1 50 50 ASN C C 13 173.574 0.000 . 1 . . . A 50 ASN C . 17628 1 485 . 1 1 50 50 ASN CA C 13 54.381 0.032 . 1 . . . A 50 ASN CA . 17628 1 486 . 1 1 50 50 ASN CB C 13 42.721 0.000 . 1 . . . A 50 ASN CB . 17628 1 487 . 1 1 50 50 ASN N N 15 115.420 0.032 . 1 . . . A 50 ASN N . 17628 1 488 . 1 1 51 51 LEU HA H 1 4.655 0.004 . 1 . . . A 51 LEU HA . 17628 1 489 . 1 1 51 51 LEU HB2 H 1 1.519 0.003 . 2 . . . A 51 LEU HB2 . 17628 1 490 . 1 1 51 51 LEU HB3 H 1 1.191 0.005 . 2 . . . A 51 LEU HB3 . 17628 1 491 . 1 1 51 51 LEU HG H 1 1.340 0.004 . 1 . . . A 51 LEU HG . 17628 1 492 . 1 1 51 51 LEU HD11 H 1 0.835 0.003 . 2 . . . A 51 LEU HD11 . 17628 1 493 . 1 1 51 51 LEU HD12 H 1 0.835 0.003 . 2 . . . A 51 LEU HD12 . 17628 1 494 . 1 1 51 51 LEU HD13 H 1 0.835 0.003 . 2 . . . A 51 LEU HD13 . 17628 1 495 . 1 1 51 51 LEU HD21 H 1 0.807 0.003 . 2 . . . A 51 LEU HD21 . 17628 1 496 . 1 1 51 51 LEU HD22 H 1 0.807 0.003 . 2 . . . A 51 LEU HD22 . 17628 1 497 . 1 1 51 51 LEU HD23 H 1 0.807 0.003 . 2 . . . A 51 LEU HD23 . 17628 1 498 . 1 1 51 51 LEU C C 13 176.323 0.000 . 1 . . . A 51 LEU C . 17628 1 499 . 1 1 51 51 LEU CA C 13 54.399 0.001 . 1 . . . A 51 LEU CA . 17628 1 500 . 1 1 51 51 LEU CB C 13 45.606 0.044 . 1 . . . A 51 LEU CB . 17628 1 501 . 1 1 51 51 LEU CG C 13 27.084 0.000 . 1 . . . A 51 LEU CG . 17628 1 502 . 1 1 51 51 LEU CD1 C 13 25.081 0.010 . 2 . . . A 51 LEU CD1 . 17628 1 503 . 1 1 51 51 LEU CD2 C 13 23.299 0.022 . 2 . . . A 51 LEU CD2 . 17628 1 504 . 1 1 52 52 HIS H H 1 8.904 0.012 . 1 . . . A 52 HIS H . 17628 1 505 . 1 1 52 52 HIS HA H 1 4.987 0.007 . 1 . . . A 52 HIS HA . 17628 1 506 . 1 1 52 52 HIS HB2 H 1 3.484 0.001 . 2 . . . A 52 HIS HB2 . 17628 1 507 . 1 1 52 52 HIS HB3 H 1 3.142 0.003 . 2 . . . A 52 HIS HB3 . 17628 1 508 . 1 1 52 52 HIS C C 13 176.442 0.000 . 1 . . . A 52 HIS C . 17628 1 509 . 1 1 52 52 HIS CA C 13 55.983 0.051 . 1 . . . A 52 HIS CA . 17628 1 510 . 1 1 52 52 HIS CB C 13 26.270 0.016 . 1 . . . A 52 HIS CB . 17628 1 511 . 1 1 52 52 HIS N N 15 115.835 0.042 . 1 . . . A 52 HIS N . 17628 1 512 . 1 1 53 53 ARG H H 1 8.876 0.007 . 1 . . . A 53 ARG H . 17628 1 513 . 1 1 53 53 ARG HA H 1 3.320 0.005 . 1 . . . A 53 ARG HA . 17628 1 514 . 1 1 53 53 ARG HB2 H 1 1.318 0.001 . 2 . . . A 53 ARG HB2 . 17628 1 515 . 1 1 53 53 ARG HB3 H 1 1.517 0.019 . 2 . . . A 53 ARG HB3 . 17628 1 516 . 1 1 53 53 ARG HD2 H 1 1.968 0.005 . 2 . . . A 53 ARG HD2 . 17628 1 517 . 1 1 53 53 ARG HD3 H 1 1.968 0.005 . 2 . . . A 53 ARG HD3 . 17628 1 518 . 1 1 53 53 ARG C C 13 177.862 0.000 . 1 . . . A 53 ARG C . 17628 1 519 . 1 1 53 53 ARG CA C 13 57.358 0.061 . 1 . . . A 53 ARG CA . 17628 1 520 . 1 1 53 53 ARG CB C 13 29.654 0.031 . 1 . . . A 53 ARG CB . 17628 1 521 . 1 1 53 53 ARG CG C 13 25.871 0.000 . 1 . . . A 53 ARG CG . 17628 1 522 . 1 1 53 53 ARG CD C 13 41.432 0.027 . 1 . . . A 53 ARG CD . 17628 1 523 . 1 1 53 53 ARG N N 15 124.169 0.030 . 1 . . . A 53 ARG N . 17628 1 524 . 1 1 54 54 GLU H H 1 9.759 0.007 . 1 . . . A 54 GLU H . 17628 1 525 . 1 1 54 54 GLU HA H 1 4.033 0.002 . 1 . . . A 54 GLU HA . 17628 1 526 . 1 1 54 54 GLU HB2 H 1 2.071 0.023 . 2 . . . A 54 GLU HB2 . 17628 1 527 . 1 1 54 54 GLU HB3 H 1 2.071 0.023 . 2 . . . A 54 GLU HB3 . 17628 1 528 . 1 1 54 54 GLU HG2 H 1 2.454 0.004 . 2 . . . A 54 GLU HG2 . 17628 1 529 . 1 1 54 54 GLU HG3 H 1 2.454 0.004 . 2 . . . A 54 GLU HG3 . 17628 1 530 . 1 1 54 54 GLU C C 13 177.704 0.008 . 1 . . . A 54 GLU C . 17628 1 531 . 1 1 54 54 GLU CA C 13 58.743 0.114 . 1 . . . A 54 GLU CA . 17628 1 532 . 1 1 54 54 GLU CB C 13 26.944 0.037 . 1 . . . A 54 GLU CB . 17628 1 533 . 1 1 54 54 GLU CG C 13 34.987 0.008 . 1 . . . A 54 GLU CG . 17628 1 534 . 1 1 54 54 GLU N N 15 118.465 0.029 . 1 . . . A 54 GLU N . 17628 1 535 . 1 1 55 55 LEU H H 1 7.351 0.005 . 1 . . . A 55 LEU H . 17628 1 536 . 1 1 55 55 LEU HA H 1 4.056 0.004 . 1 . . . A 55 LEU HA . 17628 1 537 . 1 1 55 55 LEU HB2 H 1 1.397 0.002 . 2 . . . A 55 LEU HB2 . 17628 1 538 . 1 1 55 55 LEU HB3 H 1 0.883 0.004 . 2 . . . A 55 LEU HB3 . 17628 1 539 . 1 1 55 55 LEU HG H 1 0.899 0.000 . 1 . . . A 55 LEU HG . 17628 1 540 . 1 1 55 55 LEU HD11 H 1 0.788 0.001 . 2 . . . A 55 LEU HD11 . 17628 1 541 . 1 1 55 55 LEU HD12 H 1 0.788 0.001 . 2 . . . A 55 LEU HD12 . 17628 1 542 . 1 1 55 55 LEU HD13 H 1 0.788 0.001 . 2 . . . A 55 LEU HD13 . 17628 1 543 . 1 1 55 55 LEU HD21 H 1 0.717 0.001 . 2 . . . A 55 LEU HD21 . 17628 1 544 . 1 1 55 55 LEU HD22 H 1 0.717 0.001 . 2 . . . A 55 LEU HD22 . 17628 1 545 . 1 1 55 55 LEU HD23 H 1 0.717 0.001 . 2 . . . A 55 LEU HD23 . 17628 1 546 . 1 1 55 55 LEU C C 13 177.601 0.007 . 1 . . . A 55 LEU C . 17628 1 547 . 1 1 55 55 LEU CA C 13 55.882 0.053 . 1 . . . A 55 LEU CA . 17628 1 548 . 1 1 55 55 LEU CB C 13 41.225 0.046 . 1 . . . A 55 LEU CB . 17628 1 549 . 1 1 55 55 LEU CG C 13 26.911 0.000 . 1 . . . A 55 LEU CG . 17628 1 550 . 1 1 55 55 LEU CD1 C 13 25.346 0.016 . 2 . . . A 55 LEU CD1 . 17628 1 551 . 1 1 55 55 LEU CD2 C 13 21.895 0.023 . 2 . . . A 55 LEU CD2 . 17628 1 552 . 1 1 55 55 LEU N N 15 120.238 0.024 . 1 . . . A 55 LEU N . 17628 1 553 . 1 1 56 56 CYS H H 1 7.640 0.007 . 1 . . . A 56 CYS H . 17628 1 554 . 1 1 56 56 CYS HA H 1 4.261 0.002 . 1 . . . A 56 CYS HA . 17628 1 555 . 1 1 56 56 CYS HB2 H 1 2.809 0.000 . 2 . . . A 56 CYS HB2 . 17628 1 556 . 1 1 56 56 CYS HB3 H 1 2.809 0.000 . 2 . . . A 56 CYS HB3 . 17628 1 557 . 1 1 56 56 CYS C C 13 175.060 0.008 . 1 . . . A 56 CYS C . 17628 1 558 . 1 1 56 56 CYS CA C 13 55.883 0.085 . 1 . . . A 56 CYS CA . 17628 1 559 . 1 1 56 56 CYS CB C 13 38.516 0.006 . 1 . . . A 56 CYS CB . 17628 1 560 . 1 1 56 56 CYS N N 15 115.234 0.028 . 1 . . . A 56 CYS N . 17628 1 561 . 1 1 57 57 ARG H H 1 7.626 0.011 . 1 . . . A 57 ARG H . 17628 1 562 . 1 1 57 57 ARG HA H 1 4.484 0.003 . 1 . . . A 57 ARG HA . 17628 1 563 . 1 1 57 57 ARG HB2 H 1 1.883 0.000 . 2 . . . A 57 ARG HB2 . 17628 1 564 . 1 1 57 57 ARG HB3 H 1 1.782 0.000 . 2 . . . A 57 ARG HB3 . 17628 1 565 . 1 1 57 57 ARG C C 13 176.114 0.000 . 1 . . . A 57 ARG C . 17628 1 566 . 1 1 57 57 ARG CA C 13 55.323 0.115 . 1 . . . A 57 ARG CA . 17628 1 567 . 1 1 57 57 ARG CB C 13 31.650 0.087 . 1 . . . A 57 ARG CB . 17628 1 568 . 1 1 57 57 ARG CG C 13 27.143 0.000 . 1 . . . A 57 ARG CG . 17628 1 569 . 1 1 57 57 ARG CD C 13 43.300 0.000 . 1 . . . A 57 ARG CD . 17628 1 570 . 1 1 57 57 ARG N N 15 119.272 0.021 . 1 . . . A 57 ARG N . 17628 1 571 . 1 1 58 58 GLY H H 1 8.139 0.009 . 1 . . . A 58 GLY H . 17628 1 572 . 1 1 58 58 GLY HA2 H 1 4.141 0.004 . 2 . . . A 58 GLY HA2 . 17628 1 573 . 1 1 58 58 GLY HA3 H 1 3.885 0.003 . 2 . . . A 58 GLY HA3 . 17628 1 574 . 1 1 58 58 GLY C C 13 173.663 0.000 . 1 . . . A 58 GLY C . 17628 1 575 . 1 1 58 58 GLY CA C 13 45.357 0.024 . 1 . . . A 58 GLY CA . 17628 1 576 . 1 1 58 58 GLY N N 15 108.813 0.020 . 1 . . . A 58 GLY N . 17628 1 577 . 1 1 59 59 ARG H H 1 8.216 0.005 . 1 . . . A 59 ARG H . 17628 1 578 . 1 1 59 59 ARG HA H 1 4.756 0.000 . 1 . . . A 59 ARG HA . 17628 1 579 . 1 1 59 59 ARG C C 13 174.784 0.000 . 1 . . . A 59 ARG C . 17628 1 580 . 1 1 59 59 ARG CA C 13 53.834 0.009 . 1 . . . A 59 ARG CA . 17628 1 581 . 1 1 59 59 ARG CB C 13 30.716 0.000 . 1 . . . A 59 ARG CB . 17628 1 582 . 1 1 59 59 ARG N N 15 121.042 0.029 . 1 . . . A 59 ARG N . 17628 1 583 . 1 1 60 60 PRO HA H 1 4.474 0.000 . 1 . . . A 60 PRO HA . 17628 1 584 . 1 1 60 60 PRO HB2 H 1 2.140 0.000 . 2 . . . A 60 PRO HB2 . 17628 1 585 . 1 1 60 60 PRO HB3 H 1 2.002 0.000 . 2 . . . A 60 PRO HB3 . 17628 1 586 . 1 1 60 60 PRO C C 13 176.726 0.000 . 1 . . . A 60 PRO C . 17628 1 587 . 1 1 60 60 PRO CA C 13 63.849 0.029 . 1 . . . A 60 PRO CA . 17628 1 588 . 1 1 60 60 PRO CB C 13 31.909 0.002 . 1 . . . A 60 PRO CB . 17628 1 589 . 1 1 60 60 PRO CG C 13 27.452 0.000 . 1 . . . A 60 PRO CG . 17628 1 590 . 1 1 60 60 PRO CD C 13 50.634 0.000 . 1 . . . A 60 PRO CD . 17628 1 591 . 1 1 61 61 THR H H 1 7.940 0.007 . 1 . . . A 61 THR H . 17628 1 592 . 1 1 61 61 THR HA H 1 4.426 0.027 . 1 . . . A 61 THR HA . 17628 1 593 . 1 1 61 61 THR HB H 1 4.473 0.004 . 1 . . . A 61 THR HB . 17628 1 594 . 1 1 61 61 THR HG21 H 1 1.208 0.002 . 1 . . . A 61 THR HG21 . 17628 1 595 . 1 1 61 61 THR HG22 H 1 1.208 0.002 . 1 . . . A 61 THR HG22 . 17628 1 596 . 1 1 61 61 THR HG23 H 1 1.208 0.002 . 1 . . . A 61 THR HG23 . 17628 1 597 . 1 1 61 61 THR C C 13 174.238 0.008 . 1 . . . A 61 THR C . 17628 1 598 . 1 1 61 61 THR CA C 13 61.219 0.060 . 1 . . . A 61 THR CA . 17628 1 599 . 1 1 61 61 THR CB C 13 70.449 0.097 . 1 . . . A 61 THR CB . 17628 1 600 . 1 1 61 61 THR CG2 C 13 21.723 0.049 . 1 . . . A 61 THR CG2 . 17628 1 601 . 1 1 61 61 THR N N 15 110.945 0.023 . 1 . . . A 61 THR N . 17628 1 602 . 1 1 62 62 GLU H H 1 8.342 0.008 . 1 . . . A 62 GLU H . 17628 1 603 . 1 1 62 62 GLU HA H 1 4.170 0.000 . 1 . . . A 62 GLU HA . 17628 1 604 . 1 1 62 62 GLU HB2 H 1 1.791 0.000 . 2 . . . A 62 GLU HB2 . 17628 1 605 . 1 1 62 62 GLU HB3 H 1 1.791 0.000 . 2 . . . A 62 GLU HB3 . 17628 1 606 . 1 1 62 62 GLU C C 13 175.889 0.000 . 1 . . . A 62 GLU C . 17628 1 607 . 1 1 62 62 GLU CA C 13 57.090 0.008 . 1 . . . A 62 GLU CA . 17628 1 608 . 1 1 62 62 GLU CB C 13 30.109 0.022 . 1 . . . A 62 GLU CB . 17628 1 609 . 1 1 62 62 GLU CG C 13 36.014 0.000 . 1 . . . A 62 GLU CG . 17628 1 610 . 1 1 62 62 GLU N N 15 119.936 0.025 . 1 . . . A 62 GLU N . 17628 1 611 . 1 1 63 63 PHE H H 1 8.137 0.006 . 1 . . . A 63 PHE H . 17628 1 612 . 1 1 63 63 PHE HA H 1 4.599 0.004 . 1 . . . A 63 PHE HA . 17628 1 613 . 1 1 63 63 PHE HB2 H 1 3.000 0.000 . 2 . . . A 63 PHE HB2 . 17628 1 614 . 1 1 63 63 PHE HB3 H 1 3.256 0.000 . 2 . . . A 63 PHE HB3 . 17628 1 615 . 1 1 63 63 PHE C C 13 175.367 0.015 . 1 . . . A 63 PHE C . 17628 1 616 . 1 1 63 63 PHE CA C 13 58.150 0.016 . 1 . . . A 63 PHE CA . 17628 1 617 . 1 1 63 63 PHE CB C 13 39.511 0.041 . 1 . . . A 63 PHE CB . 17628 1 618 . 1 1 63 63 PHE N N 15 117.934 0.016 . 1 . . . A 63 PHE N . 17628 1 619 . 1 1 64 64 VAL H H 1 7.792 0.009 . 1 . . . A 64 VAL H . 17628 1 620 . 1 1 64 64 VAL HA H 1 4.383 0.016 . 1 . . . A 64 VAL HA . 17628 1 621 . 1 1 64 64 VAL HB H 1 2.087 0.004 . 1 . . . A 64 VAL HB . 17628 1 622 . 1 1 64 64 VAL HG11 H 1 0.954 0.001 . 2 . . . A 64 VAL HG11 . 17628 1 623 . 1 1 64 64 VAL HG12 H 1 0.954 0.001 . 2 . . . A 64 VAL HG12 . 17628 1 624 . 1 1 64 64 VAL HG13 H 1 0.954 0.001 . 2 . . . A 64 VAL HG13 . 17628 1 625 . 1 1 64 64 VAL HG21 H 1 0.963 0.004 . 2 . . . A 64 VAL HG21 . 17628 1 626 . 1 1 64 64 VAL HG22 H 1 0.963 0.004 . 2 . . . A 64 VAL HG22 . 17628 1 627 . 1 1 64 64 VAL HG23 H 1 0.963 0.004 . 2 . . . A 64 VAL HG23 . 17628 1 628 . 1 1 64 64 VAL C C 13 174.649 0.000 . 1 . . . A 64 VAL C . 17628 1 629 . 1 1 64 64 VAL CA C 13 62.287 0.089 . 1 . . . A 64 VAL CA . 17628 1 630 . 1 1 64 64 VAL CB C 13 33.405 0.039 . 1 . . . A 64 VAL CB . 17628 1 631 . 1 1 64 64 VAL CG1 C 13 21.215 0.024 . 2 . . . A 64 VAL CG1 . 17628 1 632 . 1 1 64 64 VAL CG2 C 13 21.320 0.011 . 2 . . . A 64 VAL CG2 . 17628 1 633 . 1 1 64 64 VAL N N 15 120.294 0.023 . 1 . . . A 64 VAL N . 17628 1 634 . 1 1 65 65 ASN H H 1 8.455 0.007 . 1 . . . A 65 ASN H . 17628 1 635 . 1 1 65 65 ASN HA H 1 4.897 0.003 . 1 . . . A 65 ASN HA . 17628 1 636 . 1 1 65 65 ASN HB2 H 1 2.885 0.000 . 2 . . . A 65 ASN HB2 . 17628 1 637 . 1 1 65 65 ASN HB3 H 1 2.885 0.000 . 2 . . . A 65 ASN HB3 . 17628 1 638 . 1 1 65 65 ASN C C 13 173.716 0.007 . 1 . . . A 65 ASN C . 17628 1 639 . 1 1 65 65 ASN CA C 13 52.908 0.043 . 1 . . . A 65 ASN CA . 17628 1 640 . 1 1 65 65 ASN CB C 13 40.357 0.017 . 1 . . . A 65 ASN CB . 17628 1 641 . 1 1 65 65 ASN N N 15 121.166 0.037 . 1 . . . A 65 ASN N . 17628 1 642 . 1 1 66 66 HIS H H 1 8.128 0.008 . 1 . . . A 66 HIS H . 17628 1 643 . 1 1 66 66 HIS HA H 1 5.051 0.006 . 1 . . . A 66 HIS HA . 17628 1 644 . 1 1 66 66 HIS HB2 H 1 3.336 0.008 . 2 . . . A 66 HIS HB2 . 17628 1 645 . 1 1 66 66 HIS HB3 H 1 3.013 0.008 . 2 . . . A 66 HIS HB3 . 17628 1 646 . 1 1 66 66 HIS C C 13 172.730 0.007 . 1 . . . A 66 HIS C . 17628 1 647 . 1 1 66 66 HIS CA C 13 55.764 0.061 . 1 . . . A 66 HIS CA . 17628 1 648 . 1 1 66 66 HIS CB C 13 31.856 0.040 . 1 . . . A 66 HIS CB . 17628 1 649 . 1 1 66 66 HIS N N 15 121.303 0.024 . 1 . . . A 66 HIS N . 17628 1 650 . 1 1 67 67 TYR H H 1 9.065 0.005 . 1 . . . A 67 TYR H . 17628 1 651 . 1 1 67 67 TYR HA H 1 4.937 0.004 . 1 . . . A 67 TYR HA . 17628 1 652 . 1 1 67 67 TYR HB2 H 1 2.953 0.011 . 2 . . . A 67 TYR HB2 . 17628 1 653 . 1 1 67 67 TYR HB3 H 1 2.836 0.008 . 2 . . . A 67 TYR HB3 . 17628 1 654 . 1 1 67 67 TYR C C 13 174.178 0.008 . 1 . . . A 67 TYR C . 17628 1 655 . 1 1 67 67 TYR CA C 13 57.181 0.062 . 1 . . . A 67 TYR CA . 17628 1 656 . 1 1 67 67 TYR CB C 13 42.147 0.011 . 1 . . . A 67 TYR CB . 17628 1 657 . 1 1 67 67 TYR N N 15 125.626 0.075 . 1 . . . A 67 TYR N . 17628 1 658 . 1 1 68 68 CYS H H 1 7.902 0.006 . 1 . . . A 68 CYS H . 17628 1 659 . 1 1 68 68 CYS HA H 1 5.799 0.021 . 1 . . . A 68 CYS HA . 17628 1 660 . 1 1 68 68 CYS HB2 H 1 2.895 0.003 . 2 . . . A 68 CYS HB2 . 17628 1 661 . 1 1 68 68 CYS HB3 H 1 2.702 0.003 . 2 . . . A 68 CYS HB3 . 17628 1 662 . 1 1 68 68 CYS C C 13 171.347 0.000 . 1 . . . A 68 CYS C . 17628 1 663 . 1 1 68 68 CYS CA C 13 51.895 0.046 . 1 . . . A 68 CYS CA . 17628 1 664 . 1 1 68 68 CYS CB C 13 45.198 0.064 . 1 . . . A 68 CYS CB . 17628 1 665 . 1 1 68 68 CYS N N 15 123.801 0.019 . 1 . . . A 68 CYS N . 17628 1 666 . 1 1 69 69 CYS H H 1 8.843 0.004 . 1 . . . A 69 CYS H . 17628 1 667 . 1 1 69 69 CYS HA H 1 4.782 0.004 . 1 . . . A 69 CYS HA . 17628 1 668 . 1 1 69 69 CYS HB2 H 1 3.556 0.005 . 2 . . . A 69 CYS HB2 . 17628 1 669 . 1 1 69 69 CYS HB3 H 1 3.172 0.003 . 2 . . . A 69 CYS HB3 . 17628 1 670 . 1 1 69 69 CYS C C 13 173.552 0.007 . 1 . . . A 69 CYS C . 17628 1 671 . 1 1 69 69 CYS CA C 13 54.996 0.013 . 1 . . . A 69 CYS CA . 17628 1 672 . 1 1 69 69 CYS CB C 13 44.900 0.022 . 1 . . . A 69 CYS CB . 17628 1 673 . 1 1 69 69 CYS N N 15 115.715 0.048 . 1 . . . A 69 CYS N . 17628 1 674 . 1 1 70 70 ASP H H 1 8.531 0.004 . 1 . . . A 70 ASP H . 17628 1 675 . 1 1 70 70 ASP HA H 1 5.164 0.003 . 1 . . . A 70 ASP HA . 17628 1 676 . 1 1 70 70 ASP HB2 H 1 2.915 0.004 . 2 . . . A 70 ASP HB2 . 17628 1 677 . 1 1 70 70 ASP HB3 H 1 2.665 0.004 . 2 . . . A 70 ASP HB3 . 17628 1 678 . 1 1 70 70 ASP C C 13 174.507 0.008 . 1 . . . A 70 ASP C . 17628 1 679 . 1 1 70 70 ASP CA C 13 54.827 0.066 . 1 . . . A 70 ASP CA . 17628 1 680 . 1 1 70 70 ASP CB C 13 42.481 0.028 . 1 . . . A 70 ASP CB . 17628 1 681 . 1 1 70 70 ASP N N 15 120.487 0.034 . 1 . . . A 70 ASP N . 17628 1 682 . 1 1 71 71 SER H H 1 7.641 0.005 . 1 . . . A 71 SER H . 17628 1 683 . 1 1 71 71 SER HA H 1 4.896 0.003 . 1 . . . A 71 SER HA . 17628 1 684 . 1 1 71 71 SER HB2 H 1 4.057 0.002 . 2 . . . A 71 SER HB2 . 17628 1 685 . 1 1 71 71 SER HB3 H 1 3.852 0.003 . 2 . . . A 71 SER HB3 . 17628 1 686 . 1 1 71 71 SER C C 13 173.387 0.007 . 1 . . . A 71 SER C . 17628 1 687 . 1 1 71 71 SER CA C 13 57.709 0.044 . 1 . . . A 71 SER CA . 17628 1 688 . 1 1 71 71 SER CB C 13 66.587 0.017 . 1 . . . A 71 SER CB . 17628 1 689 . 1 1 71 71 SER N N 15 113.179 0.031 . 1 . . . A 71 SER N . 17628 1 690 . 1 1 72 72 HIS H H 1 8.308 0.007 . 1 . . . A 72 HIS H . 17628 1 691 . 1 1 72 72 HIS HA H 1 4.538 0.005 . 1 . . . A 72 HIS HA . 17628 1 692 . 1 1 72 72 HIS HB2 H 1 3.068 0.005 . 2 . . . A 72 HIS HB2 . 17628 1 693 . 1 1 72 72 HIS HB3 H 1 3.068 0.005 . 2 . . . A 72 HIS HB3 . 17628 1 694 . 1 1 72 72 HIS C C 13 176.173 0.000 . 1 . . . A 72 HIS C . 17628 1 695 . 1 1 72 72 HIS CA C 13 58.734 0.028 . 1 . . . A 72 HIS CA . 17628 1 696 . 1 1 72 72 HIS CB C 13 31.776 0.025 . 1 . . . A 72 HIS CB . 17628 1 697 . 1 1 72 72 HIS N N 15 119.348 0.018 . 1 . . . A 72 HIS N . 17628 1 698 . 1 1 73 73 LEU H H 1 9.769 0.005 . 1 . . . A 73 LEU H . 17628 1 699 . 1 1 73 73 LEU HA H 1 3.768 0.003 . 1 . . . A 73 LEU HA . 17628 1 700 . 1 1 73 73 LEU HB2 H 1 1.593 0.009 . 2 . . . A 73 LEU HB2 . 17628 1 701 . 1 1 73 73 LEU HB3 H 1 1.569 0.009 . 2 . . . A 73 LEU HB3 . 17628 1 702 . 1 1 73 73 LEU HG H 1 1.560 0.000 . 1 . . . A 73 LEU HG . 17628 1 703 . 1 1 73 73 LEU HD11 H 1 0.623 0.007 . 2 . . . A 73 LEU HD11 . 17628 1 704 . 1 1 73 73 LEU HD12 H 1 0.623 0.007 . 2 . . . A 73 LEU HD12 . 17628 1 705 . 1 1 73 73 LEU HD13 H 1 0.623 0.007 . 2 . . . A 73 LEU HD13 . 17628 1 706 . 1 1 73 73 LEU HD21 H 1 0.536 0.006 . 2 . . . A 73 LEU HD21 . 17628 1 707 . 1 1 73 73 LEU HD22 H 1 0.536 0.006 . 2 . . . A 73 LEU HD22 . 17628 1 708 . 1 1 73 73 LEU HD23 H 1 0.536 0.006 . 2 . . . A 73 LEU HD23 . 17628 1 709 . 1 1 73 73 LEU C C 13 178.572 0.007 . 1 . . . A 73 LEU C . 17628 1 710 . 1 1 73 73 LEU CA C 13 56.602 0.049 . 1 . . . A 73 LEU CA . 17628 1 711 . 1 1 73 73 LEU CB C 13 40.002 0.042 . 1 . . . A 73 LEU CB . 17628 1 712 . 1 1 73 73 LEU CG C 13 26.588 0.000 . 1 . . . A 73 LEU CG . 17628 1 713 . 1 1 73 73 LEU CD1 C 13 25.601 0.032 . 2 . . . A 73 LEU CD1 . 17628 1 714 . 1 1 73 73 LEU CD2 C 13 22.531 0.049 . 2 . . . A 73 LEU CD2 . 17628 1 715 . 1 1 73 73 LEU N N 15 123.124 0.024 . 1 . . . A 73 LEU N . 17628 1 716 . 1 1 74 74 CYS H H 1 8.488 0.009 . 1 . . . A 74 CYS H . 17628 1 717 . 1 1 74 74 CYS HA H 1 4.422 0.006 . 1 . . . A 74 CYS HA . 17628 1 718 . 1 1 74 74 CYS HB2 H 1 3.842 0.006 . 2 . . . A 74 CYS HB2 . 17628 1 719 . 1 1 74 74 CYS HB3 H 1 3.407 0.008 . 2 . . . A 74 CYS HB3 . 17628 1 720 . 1 1 74 74 CYS C C 13 174.644 0.020 . 1 . . . A 74 CYS C . 17628 1 721 . 1 1 74 74 CYS CA C 13 58.560 0.063 . 1 . . . A 74 CYS CA . 17628 1 722 . 1 1 74 74 CYS CB C 13 44.268 0.045 . 1 . . . A 74 CYS CB . 17628 1 723 . 1 1 74 74 CYS N N 15 116.789 0.036 . 1 . . . A 74 CYS N . 17628 1 724 . 1 1 75 75 ASN H H 1 8.432 0.008 . 1 . . . A 75 ASN H . 17628 1 725 . 1 1 75 75 ASN HA H 1 4.418 0.013 . 1 . . . A 75 ASN HA . 17628 1 726 . 1 1 75 75 ASN HB2 H 1 3.274 0.001 . 2 . . . A 75 ASN HB2 . 17628 1 727 . 1 1 75 75 ASN HB3 H 1 2.417 0.009 . 2 . . . A 75 ASN HB3 . 17628 1 728 . 1 1 75 75 ASN C C 13 175.216 0.003 . 1 . . . A 75 ASN C . 17628 1 729 . 1 1 75 75 ASN CA C 13 52.578 0.056 . 1 . . . A 75 ASN CA . 17628 1 730 . 1 1 75 75 ASN CB C 13 37.613 0.046 . 1 . . . A 75 ASN CB . 17628 1 731 . 1 1 75 75 ASN N N 15 118.193 0.028 . 1 . . . A 75 ASN N . 17628 1 732 . 1 1 76 76 HIS H H 1 7.768 0.006 . 1 . . . A 76 HIS H . 17628 1 733 . 1 1 76 76 HIS HA H 1 4.167 0.002 . 1 . . . A 76 HIS HA . 17628 1 734 . 1 1 76 76 HIS HB2 H 1 3.378 0.000 . 2 . . . A 76 HIS HB2 . 17628 1 735 . 1 1 76 76 HIS HB3 H 1 3.206 0.010 . 2 . . . A 76 HIS HB3 . 17628 1 736 . 1 1 76 76 HIS C C 13 174.631 0.003 . 1 . . . A 76 HIS C . 17628 1 737 . 1 1 76 76 HIS CA C 13 59.328 0.027 . 1 . . . A 76 HIS CA . 17628 1 738 . 1 1 76 76 HIS CB C 13 29.708 0.038 . 1 . . . A 76 HIS CB . 17628 1 739 . 1 1 76 76 HIS N N 15 120.329 0.026 . 1 . . . A 76 HIS N . 17628 1 740 . 1 1 77 77 ASN H H 1 8.457 0.007 . 1 . . . A 77 ASN H . 17628 1 741 . 1 1 77 77 ASN HA H 1 4.558 0.003 . 1 . . . A 77 ASN HA . 17628 1 742 . 1 1 77 77 ASN HB2 H 1 2.745 0.007 . 2 . . . A 77 ASN HB2 . 17628 1 743 . 1 1 77 77 ASN HB3 H 1 2.591 0.006 . 2 . . . A 77 ASN HB3 . 17628 1 744 . 1 1 77 77 ASN C C 13 174.522 0.008 . 1 . . . A 77 ASN C . 17628 1 745 . 1 1 77 77 ASN CA C 13 52.864 0.060 . 1 . . . A 77 ASN CA . 17628 1 746 . 1 1 77 77 ASN CB C 13 38.719 0.013 . 1 . . . A 77 ASN CB . 17628 1 747 . 1 1 77 77 ASN N N 15 115.167 0.020 . 1 . . . A 77 ASN N . 17628 1 748 . 1 1 78 78 VAL H H 1 6.691 0.005 . 1 . . . A 78 VAL H . 17628 1 749 . 1 1 78 78 VAL HA H 1 3.843 0.003 . 1 . . . A 78 VAL HA . 17628 1 750 . 1 1 78 78 VAL HB H 1 1.529 0.004 . 1 . . . A 78 VAL HB . 17628 1 751 . 1 1 78 78 VAL HG11 H 1 0.798 0.001 . 2 . . . A 78 VAL HG11 . 17628 1 752 . 1 1 78 78 VAL HG12 H 1 0.798 0.001 . 2 . . . A 78 VAL HG12 . 17628 1 753 . 1 1 78 78 VAL HG13 H 1 0.798 0.001 . 2 . . . A 78 VAL HG13 . 17628 1 754 . 1 1 78 78 VAL HG21 H 1 0.207 0.002 . 2 . . . A 78 VAL HG21 . 17628 1 755 . 1 1 78 78 VAL HG22 H 1 0.207 0.002 . 2 . . . A 78 VAL HG22 . 17628 1 756 . 1 1 78 78 VAL HG23 H 1 0.207 0.002 . 2 . . . A 78 VAL HG23 . 17628 1 757 . 1 1 78 78 VAL C C 13 174.709 0.000 . 1 . . . A 78 VAL C . 17628 1 758 . 1 1 78 78 VAL CA C 13 62.643 0.050 . 1 . . . A 78 VAL CA . 17628 1 759 . 1 1 78 78 VAL CB C 13 33.309 0.008 . 1 . . . A 78 VAL CB . 17628 1 760 . 1 1 78 78 VAL CG1 C 13 21.360 0.000 . 2 . . . A 78 VAL CG1 . 17628 1 761 . 1 1 78 78 VAL CG2 C 13 19.821 0.016 . 2 . . . A 78 VAL CG2 . 17628 1 762 . 1 1 78 78 VAL N N 15 119.202 0.022 . 1 . . . A 78 VAL N . 17628 1 763 . 1 1 79 79 SER HA H 1 4.846 0.004 . 1 . . . A 79 SER HA . 17628 1 764 . 1 1 79 79 SER HB2 H 1 3.644 0.002 . 2 . . . A 79 SER HB2 . 17628 1 765 . 1 1 79 79 SER HB3 H 1 3.579 0.002 . 2 . . . A 79 SER HB3 . 17628 1 766 . 1 1 79 79 SER C C 13 174.082 0.000 . 1 . . . A 79 SER C . 17628 1 767 . 1 1 79 79 SER CA C 13 56.222 0.026 . 1 . . . A 79 SER CA . 17628 1 768 . 1 1 79 79 SER CB C 13 64.855 0.040 . 1 . . . A 79 SER CB . 17628 1 769 . 1 1 80 80 LEU H H 1 9.623 0.046 . 1 . . . A 80 LEU H . 17628 1 770 . 1 1 80 80 LEU HA H 1 4.360 0.004 . 1 . . . A 80 LEU HA . 17628 1 771 . 1 1 80 80 LEU HB2 H 1 1.533 0.000 . 2 . . . A 80 LEU HB2 . 17628 1 772 . 1 1 80 80 LEU HB3 H 1 1.533 0.000 . 2 . . . A 80 LEU HB3 . 17628 1 773 . 1 1 80 80 LEU HD11 H 1 0.691 0.001 . 2 . . . A 80 LEU HD11 . 17628 1 774 . 1 1 80 80 LEU HD12 H 1 0.691 0.001 . 2 . . . A 80 LEU HD12 . 17628 1 775 . 1 1 80 80 LEU HD13 H 1 0.691 0.001 . 2 . . . A 80 LEU HD13 . 17628 1 776 . 1 1 80 80 LEU HD21 H 1 0.558 0.001 . 2 . . . A 80 LEU HD21 . 17628 1 777 . 1 1 80 80 LEU HD22 H 1 0.558 0.001 . 2 . . . A 80 LEU HD22 . 17628 1 778 . 1 1 80 80 LEU HD23 H 1 0.558 0.001 . 2 . . . A 80 LEU HD23 . 17628 1 779 . 1 1 80 80 LEU C C 13 176.897 0.008 . 1 . . . A 80 LEU C . 17628 1 780 . 1 1 80 80 LEU CA C 13 54.300 0.049 . 1 . . . A 80 LEU CA . 17628 1 781 . 1 1 80 80 LEU CB C 13 42.671 0.024 . 1 . . . A 80 LEU CB . 17628 1 782 . 1 1 80 80 LEU CG C 13 27.216 0.000 . 1 . . . A 80 LEU CG . 17628 1 783 . 1 1 80 80 LEU CD1 C 13 25.567 0.015 . 2 . . . A 80 LEU CD1 . 17628 1 784 . 1 1 80 80 LEU CD2 C 13 22.064 0.006 . 2 . . . A 80 LEU CD2 . 17628 1 785 . 1 1 80 80 LEU N N 15 126.815 0.070 . 1 . . . A 80 LEU N . 17628 1 786 . 1 1 81 81 VAL H H 1 7.824 0.008 . 1 . . . A 81 VAL H . 17628 1 787 . 1 1 81 81 VAL HA H 1 3.944 0.003 . 1 . . . A 81 VAL HA . 17628 1 788 . 1 1 81 81 VAL HB H 1 1.932 0.003 . 1 . . . A 81 VAL HB . 17628 1 789 . 1 1 81 81 VAL HG11 H 1 0.798 0.002 . 2 . . . A 81 VAL HG11 . 17628 1 790 . 1 1 81 81 VAL HG12 H 1 0.798 0.002 . 2 . . . A 81 VAL HG12 . 17628 1 791 . 1 1 81 81 VAL HG13 H 1 0.798 0.002 . 2 . . . A 81 VAL HG13 . 17628 1 792 . 1 1 81 81 VAL HG21 H 1 0.768 0.002 . 2 . . . A 81 VAL HG21 . 17628 1 793 . 1 1 81 81 VAL HG22 H 1 0.768 0.002 . 2 . . . A 81 VAL HG22 . 17628 1 794 . 1 1 81 81 VAL HG23 H 1 0.768 0.002 . 2 . . . A 81 VAL HG23 . 17628 1 795 . 1 1 81 81 VAL C C 13 175.889 0.015 . 1 . . . A 81 VAL C . 17628 1 796 . 1 1 81 81 VAL CA C 13 62.536 0.053 . 1 . . . A 81 VAL CA . 17628 1 797 . 1 1 81 81 VAL CB C 13 32.869 0.031 . 1 . . . A 81 VAL CB . 17628 1 798 . 1 1 81 81 VAL CG1 C 13 21.238 0.017 . 2 . . . A 81 VAL CG1 . 17628 1 799 . 1 1 81 81 VAL CG2 C 13 20.668 0.047 . 2 . . . A 81 VAL CG2 . 17628 1 800 . 1 1 81 81 VAL N N 15 117.921 0.029 . 1 . . . A 81 VAL N . 17628 1 801 . 1 1 82 82 LEU H H 1 8.059 0.006 . 1 . . . A 82 LEU H . 17628 1 802 . 1 1 82 82 LEU HA H 1 4.291 0.003 . 1 . . . A 82 LEU HA . 17628 1 803 . 1 1 82 82 LEU HB2 H 1 1.519 0.000 . 2 . . . A 82 LEU HB2 . 17628 1 804 . 1 1 82 82 LEU HB3 H 1 1.519 0.000 . 2 . . . A 82 LEU HB3 . 17628 1 805 . 1 1 82 82 LEU HD11 H 1 0.802 0.003 . 2 . . . A 82 LEU HD11 . 17628 1 806 . 1 1 82 82 LEU HD12 H 1 0.802 0.003 . 2 . . . A 82 LEU HD12 . 17628 1 807 . 1 1 82 82 LEU HD13 H 1 0.802 0.003 . 2 . . . A 82 LEU HD13 . 17628 1 808 . 1 1 82 82 LEU HD21 H 1 0.737 0.002 . 2 . . . A 82 LEU HD21 . 17628 1 809 . 1 1 82 82 LEU HD22 H 1 0.737 0.002 . 2 . . . A 82 LEU HD22 . 17628 1 810 . 1 1 82 82 LEU HD23 H 1 0.737 0.002 . 2 . . . A 82 LEU HD23 . 17628 1 811 . 1 1 82 82 LEU C C 13 177.197 0.007 . 1 . . . A 82 LEU C . 17628 1 812 . 1 1 82 82 LEU CA C 13 55.131 0.045 . 1 . . . A 82 LEU CA . 17628 1 813 . 1 1 82 82 LEU CB C 13 42.291 0.051 . 1 . . . A 82 LEU CB . 17628 1 814 . 1 1 82 82 LEU CG C 13 26.851 0.000 . 1 . . . A 82 LEU CG . 17628 1 815 . 1 1 82 82 LEU CD1 C 13 24.992 0.025 . 2 . . . A 82 LEU CD1 . 17628 1 816 . 1 1 82 82 LEU CD2 C 13 23.557 0.034 . 2 . . . A 82 LEU CD2 . 17628 1 817 . 1 1 82 82 LEU N N 15 124.533 0.038 . 1 . . . A 82 LEU N . 17628 1 818 . 1 1 83 83 GLU H H 1 8.047 0.009 . 1 . . . A 83 GLU H . 17628 1 819 . 1 1 83 83 GLU HA H 1 4.182 0.003 . 1 . . . A 83 GLU HA . 17628 1 820 . 1 1 83 83 GLU HB2 H 1 1.905 0.000 . 2 . . . A 83 GLU HB2 . 17628 1 821 . 1 1 83 83 GLU HB3 H 1 1.905 0.000 . 2 . . . A 83 GLU HB3 . 17628 1 822 . 1 1 83 83 GLU C C 13 175.897 0.007 . 1 . . . A 83 GLU C . 17628 1 823 . 1 1 83 83 GLU CA C 13 56.515 0.014 . 1 . . . A 83 GLU CA . 17628 1 824 . 1 1 83 83 GLU CB C 13 30.167 0.019 . 1 . . . A 83 GLU CB . 17628 1 825 . 1 1 83 83 GLU CG C 13 35.908 0.000 . 1 . . . A 83 GLU CG . 17628 1 826 . 1 1 83 83 GLU N N 15 120.926 0.031 . 1 . . . A 83 GLU N . 17628 1 827 . 1 1 84 84 ALA H H 1 8.162 0.005 . 1 . . . A 84 ALA H . 17628 1 828 . 1 1 84 84 ALA HA H 1 4.304 0.002 . 1 . . . A 84 ALA HA . 17628 1 829 . 1 1 84 84 ALA HB1 H 1 1.335 0.004 . 1 . . . A 84 ALA HB1 . 17628 1 830 . 1 1 84 84 ALA HB2 H 1 1.335 0.004 . 1 . . . A 84 ALA HB2 . 17628 1 831 . 1 1 84 84 ALA HB3 H 1 1.335 0.004 . 1 . . . A 84 ALA HB3 . 17628 1 832 . 1 1 84 84 ALA C C 13 177.704 0.008 . 1 . . . A 84 ALA C . 17628 1 833 . 1 1 84 84 ALA CA C 13 52.535 0.040 . 1 . . . A 84 ALA CA . 17628 1 834 . 1 1 84 84 ALA CB C 13 19.334 0.038 . 1 . . . A 84 ALA CB . 17628 1 835 . 1 1 84 84 ALA N N 15 124.350 0.022 . 1 . . . A 84 ALA N . 17628 1 836 . 1 1 85 85 THR H H 1 7.981 0.007 . 1 . . . A 85 THR H . 17628 1 837 . 1 1 85 85 THR HA H 1 4.264 0.004 . 1 . . . A 85 THR HA . 17628 1 838 . 1 1 85 85 THR HB H 1 4.144 0.003 . 1 . . . A 85 THR HB . 17628 1 839 . 1 1 85 85 THR HG21 H 1 1.146 0.001 . 1 . . . A 85 THR HG21 . 17628 1 840 . 1 1 85 85 THR HG22 H 1 1.146 0.001 . 1 . . . A 85 THR HG22 . 17628 1 841 . 1 1 85 85 THR HG23 H 1 1.146 0.001 . 1 . . . A 85 THR HG23 . 17628 1 842 . 1 1 85 85 THR C C 13 174.231 0.000 . 1 . . . A 85 THR C . 17628 1 843 . 1 1 85 85 THR CA C 13 61.831 0.071 . 1 . . . A 85 THR CA . 17628 1 844 . 1 1 85 85 THR CB C 13 69.955 0.071 . 1 . . . A 85 THR CB . 17628 1 845 . 1 1 85 85 THR CG2 C 13 21.743 0.010 . 1 . . . A 85 THR CG2 . 17628 1 846 . 1 1 85 85 THR N N 15 112.934 0.022 . 1 . . . A 85 THR N . 17628 1 847 . 1 1 86 86 GLN H H 1 8.217 0.006 . 1 . . . A 86 GLN H . 17628 1 848 . 1 1 86 86 GLN HA H 1 4.610 0.000 . 1 . . . A 86 GLN HA . 17628 1 849 . 1 1 86 86 GLN C C 13 173.352 0.000 . 1 . . . A 86 GLN C . 17628 1 850 . 1 1 86 86 GLN CA C 13 53.606 0.000 . 1 . . . A 86 GLN CA . 17628 1 851 . 1 1 86 86 GLN CB C 13 29.094 0.000 . 1 . . . A 86 GLN CB . 17628 1 852 . 1 1 86 86 GLN N N 15 123.516 0.032 . 1 . . . A 86 GLN N . 17628 1 853 . 1 1 88 88 PRO HA H 1 4.413 0.001 . 1 . . . A 88 PRO HA . 17628 1 854 . 1 1 88 88 PRO HB2 H 1 2.276 0.000 . 2 . . . A 88 PRO HB2 . 17628 1 855 . 1 1 88 88 PRO HB3 H 1 1.895 0.000 . 2 . . . A 88 PRO HB3 . 17628 1 856 . 1 1 88 88 PRO C C 13 176.930 0.000 . 1 . . . A 88 PRO C . 17628 1 857 . 1 1 88 88 PRO CA C 13 63.105 0.042 . 1 . . . A 88 PRO CA . 17628 1 858 . 1 1 88 88 PRO CB C 13 32.160 0.019 . 1 . . . A 88 PRO CB . 17628 1 859 . 1 1 88 88 PRO CG C 13 27.295 0.000 . 1 . . . A 88 PRO CG . 17628 1 860 . 1 1 88 88 PRO CD C 13 50.713 0.000 . 1 . . . A 88 PRO CD . 17628 1 861 . 1 1 89 89 SER H H 1 8.358 0.008 . 1 . . . A 89 SER H . 17628 1 862 . 1 1 89 89 SER HA H 1 4.419 0.002 . 1 . . . A 89 SER HA . 17628 1 863 . 1 1 89 89 SER HB2 H 1 3.846 0.006 . 2 . . . A 89 SER HB2 . 17628 1 864 . 1 1 89 89 SER HB3 H 1 3.846 0.006 . 2 . . . A 89 SER HB3 . 17628 1 865 . 1 1 89 89 SER C C 13 174.469 0.008 . 1 . . . A 89 SER C . 17628 1 866 . 1 1 89 89 SER CA C 13 58.378 0.065 . 1 . . . A 89 SER CA . 17628 1 867 . 1 1 89 89 SER CB C 13 63.995 0.037 . 1 . . . A 89 SER CB . 17628 1 868 . 1 1 89 89 SER N N 15 116.298 0.025 . 1 . . . A 89 SER N . 17628 1 869 . 1 1 90 90 GLU H H 1 8.338 0.012 . 1 . . . A 90 GLU H . 17628 1 870 . 1 1 90 90 GLU HA H 1 4.647 0.000 . 1 . . . A 90 GLU HA . 17628 1 871 . 1 1 90 90 GLU C C 13 175.971 0.017 . 1 . . . A 90 GLU C . 17628 1 872 . 1 1 90 90 GLU CA C 13 56.350 0.053 . 1 . . . A 90 GLU CA . 17628 1 873 . 1 1 90 90 GLU CB C 13 30.349 0.015 . 1 . . . A 90 GLU CB . 17628 1 874 . 1 1 90 90 GLU N N 15 122.340 0.065 . 1 . . . A 90 GLU N . 17628 1 875 . 1 1 91 91 GLN H H 1 8.317 0.008 . 1 . . . A 91 GLN H . 17628 1 876 . 1 1 91 91 GLN HA H 1 4.603 0.002 . 1 . . . A 91 GLN HA . 17628 1 877 . 1 1 91 91 GLN C C 13 173.879 0.000 . 1 . . . A 91 GLN C . 17628 1 878 . 1 1 91 91 GLN CA C 13 53.624 0.052 . 1 . . . A 91 GLN CA . 17628 1 879 . 1 1 91 91 GLN CB C 13 29.090 0.000 . 1 . . . A 91 GLN CB . 17628 1 880 . 1 1 91 91 GLN N N 15 122.043 0.026 . 1 . . . A 91 GLN N . 17628 1 881 . 1 1 92 92 PRO HA H 1 4.417 0.000 . 1 . . . A 92 PRO HA . 17628 1 882 . 1 1 92 92 PRO HB2 H 1 1.949 0.000 . 2 . . . A 92 PRO HB2 . 17628 1 883 . 1 1 92 92 PRO HB3 H 1 2.260 0.000 . 2 . . . A 92 PRO HB3 . 17628 1 884 . 1 1 92 92 PRO C C 13 177.488 0.000 . 1 . . . A 92 PRO C . 17628 1 885 . 1 1 92 92 PRO CA C 13 63.383 0.040 . 1 . . . A 92 PRO CA . 17628 1 886 . 1 1 92 92 PRO CB C 13 32.153 0.009 . 1 . . . A 92 PRO CB . 17628 1 887 . 1 1 92 92 PRO CG C 13 27.255 0.000 . 1 . . . A 92 PRO CG . 17628 1 888 . 1 1 92 92 PRO CD C 13 50.725 0.000 . 1 . . . A 92 PRO CD . 17628 1 889 . 1 1 93 93 GLY H H 1 8.480 0.007 . 1 . . . A 93 GLY H . 17628 1 890 . 1 1 93 93 GLY HA2 H 1 4.037 0.003 . 2 . . . A 93 GLY HA2 . 17628 1 891 . 1 1 93 93 GLY HA3 H 1 3.979 0.018 . 2 . . . A 93 GLY HA3 . 17628 1 892 . 1 1 93 93 GLY C C 13 174.619 0.000 . 1 . . . A 93 GLY C . 17628 1 893 . 1 1 93 93 GLY CA C 13 45.343 0.029 . 1 . . . A 93 GLY CA . 17628 1 894 . 1 1 93 93 GLY N N 15 109.201 0.024 . 1 . . . A 93 GLY N . 17628 1 895 . 1 1 94 94 THR H H 1 8.044 0.005 . 1 . . . A 94 THR H . 17628 1 896 . 1 1 94 94 THR HA H 1 4.356 0.007 . 1 . . . A 94 THR HA . 17628 1 897 . 1 1 94 94 THR HB H 1 4.252 0.002 . 1 . . . A 94 THR HB . 17628 1 898 . 1 1 94 94 THR HG21 H 1 1.151 0.000 . 1 . . . A 94 THR HG21 . 17628 1 899 . 1 1 94 94 THR HG22 H 1 1.151 0.000 . 1 . . . A 94 THR HG22 . 17628 1 900 . 1 1 94 94 THR HG23 H 1 1.151 0.000 . 1 . . . A 94 THR HG23 . 17628 1 901 . 1 1 94 94 THR C C 13 174.510 0.005 . 1 . . . A 94 THR C . 17628 1 902 . 1 1 94 94 THR CA C 13 61.816 0.041 . 1 . . . A 94 THR CA . 17628 1 903 . 1 1 94 94 THR CB C 13 69.913 0.053 . 1 . . . A 94 THR CB . 17628 1 904 . 1 1 94 94 THR CG2 C 13 21.401 0.024 . 1 . . . A 94 THR CG2 . 17628 1 905 . 1 1 94 94 THR N N 15 112.828 0.016 . 1 . . . A 94 THR N . 17628 1 906 . 1 1 95 95 ASP H H 1 8.413 0.007 . 1 . . . A 95 ASP H . 17628 1 907 . 1 1 95 95 ASP HA H 1 4.606 0.000 . 1 . . . A 95 ASP HA . 17628 1 908 . 1 1 95 95 ASP HB2 H 1 2.679 0.000 . 2 . . . A 95 ASP HB2 . 17628 1 909 . 1 1 95 95 ASP HB3 H 1 2.679 0.000 . 2 . . . A 95 ASP HB3 . 17628 1 910 . 1 1 95 95 ASP C C 13 176.584 0.008 . 1 . . . A 95 ASP C . 17628 1 911 . 1 1 95 95 ASP CA C 13 54.631 0.005 . 1 . . . A 95 ASP CA . 17628 1 912 . 1 1 95 95 ASP CB C 13 41.067 0.017 . 1 . . . A 95 ASP CB . 17628 1 913 . 1 1 95 95 ASP N N 15 122.173 0.023 . 1 . . . A 95 ASP N . 17628 1 914 . 1 1 96 96 GLY H H 1 8.290 0.007 . 1 . . . A 96 GLY H . 17628 1 915 . 1 1 96 96 GLY HA2 H 1 3.935 0.002 . 2 . . . A 96 GLY HA2 . 17628 1 916 . 1 1 96 96 GLY HA3 H 1 3.893 0.013 . 2 . . . A 96 GLY HA3 . 17628 1 917 . 1 1 96 96 GLY C C 13 173.454 0.000 . 1 . . . A 96 GLY C . 17628 1 918 . 1 1 96 96 GLY CA C 13 45.665 0.049 . 1 . . . A 96 GLY CA . 17628 1 919 . 1 1 96 96 GLY N N 15 109.220 0.028 . 1 . . . A 96 GLY N . 17628 1 920 . 1 1 97 97 GLN H H 1 7.776 0.007 . 1 . . . A 97 GLN H . 17628 1 921 . 1 1 97 97 GLN HA H 1 4.156 0.000 . 1 . . . A 97 GLN HA . 17628 1 922 . 1 1 97 97 GLN C C 13 180.611 0.000 . 1 . . . A 97 GLN C . 17628 1 923 . 1 1 97 97 GLN CA C 13 57.261 0.000 . 1 . . . A 97 GLN CA . 17628 1 924 . 1 1 97 97 GLN CB C 13 30.399 0.000 . 1 . . . A 97 GLN CB . 17628 1 925 . 1 1 97 97 GLN N N 15 124.505 0.026 . 1 . . . A 97 GLN N . 17628 1 stop_ save_