data_16839 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16839 _Entry.Title ; Solution structure of the human chemokine CCL27 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-06 _Entry.Accession_date 2010-04-06 _Entry.Last_release_date 2010-05-10 _Entry.Original_release_date 2010-05-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 John Kirkpatrick . P. . 16839 2 Ariane Jansma . . . 16839 3 Andro Hsu . . . 16839 4 Tracy Handel . M. . 16839 5 Daniel Nietlispach . . . 16839 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 . 'not applicable' 'not applicable' . 16839 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCL27 . 16839 Chemokine . 16839 CTACK . 16839 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16839 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 16839 '15N chemical shifts' 95 16839 '1H chemical shifts' 663 16839 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-10 2010-04-06 original author . 16839 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KUM 'BMRB Entry Tracking System' 16839 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16839 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20200157 _Citation.Full_citation . _Citation.Title 'NMR analysis of the structure, dynamics and unique oligomerization properties of the chemokine CCL27' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 19 _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 14424 _Citation.Page_last 14437 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ariane Jansma . . . 16839 1 2 John Kirkpatrick . P. . 16839 1 3 Andro Hsu . . . 16839 1 4 Tracy Handel . M. . 16839 1 5 Daniel Nietlispach . . . 16839 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16839 _Assembly.ID 1 _Assembly.Name 'chemokine CCL27' _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 'chemokine CCL27' 1 $CCL27 A . yes native no no . . . 16839 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 9 9 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 16839 1 2 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 16839 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CCL27 _Entity.Sf_category entity _Entity.Sf_framecode CCL27 _Entity.Entry_ID 16839 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chemokine CCL27' _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 ; FLLPPSTACCTQLYRKPLSD KLLRKVIQVELQEADGDCHL QAFVLHLAQRSICIHPQNPS LSQWFEHQERKLHGTLPKLN FGMLRKMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the mature form of the CCL27 gene product (residues 25-112).' _Entity.Ambiguous_conformational_states yes _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 88 _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 10166.014 _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 2KUM . "Solution Structure Of The Human Chemokine Ccl27" . . . . . 100.00 88 100.00 100.00 4.10e-57 . . . . 16839 1 2 no DBJ BAA87046 . "CC chemokine ILC [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 3 no EMBL CAB46983 . "CCL27 chemokine [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 4 no GB AAD41238 . "skinkine [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 5 no GB AAI48264 . "CCL27 protein [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 6 no GB AAI66648 . "Chemokine (C-C motif) ligand 27 [synthetic construct]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 7 no GB AAN76082 . "chemokine CCL27/CTACK [Macaca mulatta]" . . . . . 100.00 113 97.73 98.86 1.34e-55 . . . . 16839 1 8 no GB AAX36370 . "chemokine (C-C motif) ligand 27 [synthetic construct]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 9 no REF NP_001028048 . "C-C motif chemokine 27 precursor [Macaca mulatta]" . . . . . 100.00 113 97.73 98.86 1.34e-55 . . . . 16839 1 10 no REF NP_006655 . "C-C motif chemokine 27 precursor [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 1 11 no REF XP_002819716 . "PREDICTED: C-C motif chemokine 27 [Pongo abelii]" . . . . . 100.00 112 100.00 100.00 4.38e-57 . . . . 16839 1 12 no REF XP_003282501 . "PREDICTED: C-C motif chemokine 27 [Nomascus leucogenys]" . . . . . 100.00 112 100.00 100.00 4.24e-57 . . . . 16839 1 13 no REF XP_003829860 . "PREDICTED: C-C motif chemokine 27 isoform X2 [Pan paniscus]" . . . . . 100.00 169 100.00 100.00 6.01e-57 . . . . 16839 1 14 no SP Q9Y4X3 . "RecName: Full=C-C motif chemokine 27; AltName: Full=CC chemokine ILC; AltName: Full=Cutaneous T-cell-attracting chemokine; Shor" . . . . . 100.00 112 100.00 100.00 5.95e-57 . . . . 16839 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 . PHE . 16839 1 2 . LEU . 16839 1 3 . LEU . 16839 1 4 . PRO . 16839 1 5 . PRO . 16839 1 6 . SER . 16839 1 7 . THR . 16839 1 8 . ALA . 16839 1 9 . CYS . 16839 1 10 . CYS . 16839 1 11 . THR . 16839 1 12 . GLN . 16839 1 13 . LEU . 16839 1 14 . TYR . 16839 1 15 . ARG . 16839 1 16 . LYS . 16839 1 17 . PRO . 16839 1 18 . LEU . 16839 1 19 . SER . 16839 1 20 . ASP . 16839 1 21 . LYS . 16839 1 22 . LEU . 16839 1 23 . LEU . 16839 1 24 . ARG . 16839 1 25 . LYS . 16839 1 26 . VAL . 16839 1 27 . ILE . 16839 1 28 . GLN . 16839 1 29 . VAL . 16839 1 30 . GLU . 16839 1 31 . LEU . 16839 1 32 . GLN . 16839 1 33 . GLU . 16839 1 34 . ALA . 16839 1 35 . ASP . 16839 1 36 . GLY . 16839 1 37 . ASP . 16839 1 38 . CYS . 16839 1 39 . HIS . 16839 1 40 . LEU . 16839 1 41 . GLN . 16839 1 42 . ALA . 16839 1 43 . PHE . 16839 1 44 . VAL . 16839 1 45 . LEU . 16839 1 46 . HIS . 16839 1 47 . LEU . 16839 1 48 . ALA . 16839 1 49 . GLN . 16839 1 50 . ARG . 16839 1 51 . SER . 16839 1 52 . ILE . 16839 1 53 . CYS . 16839 1 54 . ILE . 16839 1 55 . HIS . 16839 1 56 . PRO . 16839 1 57 . GLN . 16839 1 58 . ASN . 16839 1 59 . PRO . 16839 1 60 . SER . 16839 1 61 . LEU . 16839 1 62 . SER . 16839 1 63 . GLN . 16839 1 64 . TRP . 16839 1 65 . PHE . 16839 1 66 . GLU . 16839 1 67 . HIS . 16839 1 68 . GLN . 16839 1 69 . GLU . 16839 1 70 . ARG . 16839 1 71 . LYS . 16839 1 72 . LEU . 16839 1 73 . HIS . 16839 1 74 . GLY . 16839 1 75 . THR . 16839 1 76 . LEU . 16839 1 77 . PRO . 16839 1 78 . LYS . 16839 1 79 . LEU . 16839 1 80 . ASN . 16839 1 81 . PHE . 16839 1 82 . GLY . 16839 1 83 . MET . 16839 1 84 . LEU . 16839 1 85 . ARG . 16839 1 86 . LYS . 16839 1 87 . MET . 16839 1 88 . GLY . 16839 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 . PHE 1 1 16839 1 . LEU 2 2 16839 1 . LEU 3 3 16839 1 . PRO 4 4 16839 1 . PRO 5 5 16839 1 . SER 6 6 16839 1 . THR 7 7 16839 1 . ALA 8 8 16839 1 . CYS 9 9 16839 1 . CYS 10 10 16839 1 . THR 11 11 16839 1 . GLN 12 12 16839 1 . LEU 13 13 16839 1 . TYR 14 14 16839 1 . ARG 15 15 16839 1 . LYS 16 16 16839 1 . PRO 17 17 16839 1 . LEU 18 18 16839 1 . SER 19 19 16839 1 . ASP 20 20 16839 1 . LYS 21 21 16839 1 . LEU 22 22 16839 1 . LEU 23 23 16839 1 . ARG 24 24 16839 1 . LYS 25 25 16839 1 . VAL 26 26 16839 1 . ILE 27 27 16839 1 . GLN 28 28 16839 1 . VAL 29 29 16839 1 . GLU 30 30 16839 1 . LEU 31 31 16839 1 . GLN 32 32 16839 1 . GLU 33 33 16839 1 . ALA 34 34 16839 1 . ASP 35 35 16839 1 . GLY 36 36 16839 1 . ASP 37 37 16839 1 . CYS 38 38 16839 1 . HIS 39 39 16839 1 . LEU 40 40 16839 1 . GLN 41 41 16839 1 . ALA 42 42 16839 1 . PHE 43 43 16839 1 . VAL 44 44 16839 1 . LEU 45 45 16839 1 . HIS 46 46 16839 1 . LEU 47 47 16839 1 . ALA 48 48 16839 1 . GLN 49 49 16839 1 . ARG 50 50 16839 1 . SER 51 51 16839 1 . ILE 52 52 16839 1 . CYS 53 53 16839 1 . ILE 54 54 16839 1 . HIS 55 55 16839 1 . PRO 56 56 16839 1 . GLN 57 57 16839 1 . ASN 58 58 16839 1 . PRO 59 59 16839 1 . SER 60 60 16839 1 . LEU 61 61 16839 1 . SER 62 62 16839 1 . GLN 63 63 16839 1 . TRP 64 64 16839 1 . PHE 65 65 16839 1 . GLU 66 66 16839 1 . HIS 67 67 16839 1 . GLN 68 68 16839 1 . GLU 69 69 16839 1 . ARG 70 70 16839 1 . LYS 71 71 16839 1 . LEU 72 72 16839 1 . HIS 73 73 16839 1 . GLY 74 74 16839 1 . THR 75 75 16839 1 . LEU 76 76 16839 1 . PRO 77 77 16839 1 . LYS 78 78 16839 1 . LEU 79 79 16839 1 . ASN 80 80 16839 1 . PHE 81 81 16839 1 . GLY 82 82 16839 1 . MET 83 83 16839 1 . LEU 84 84 16839 1 . ARG 85 85 16839 1 . LYS 86 86 16839 1 . MET 87 87 16839 1 . GLY 88 88 16839 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 16839 _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 $CCL27 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'CCL27, ALP, CTACK, CTAK, ESKINE, ILC, PESKY, SCYA27' . . . . 16839 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 16839 _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 $CCL27 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 '(DE3) pLysS' . . . . . . . . . . . . . . pHUE . . . . . . 16839 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16839 _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 CCL27 [U-15N] . . 1 $CCL27 . . 1.05 . . mM . . . . 16839 1 2 EDTA [U-2H] . . . . . . 0.1 . . mM . . . . 16839 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16839 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16839 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16839 _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 CCL27 '[U-13C; U-15N]' . . 1 $CCL27 . . 0.5 . . mM . . . . 16839 2 2 EDTA [U-2H] . . . . . . 0.1 . . mM . . . . 16839 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16839 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16839 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16839 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . mM 16839 1 pH 5.5 . pH 16839 1 pressure 1 . atm 16839 1 temperature 298 . K 16839 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16839 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16839 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16839 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 16839 _Software.ID 2 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 16839 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16839 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 16839 _Software.ID 3 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16839 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16839 3 'data analysis' 16839 3 'peak picking' 16839 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16839 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16839 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16839 4 'structure solution' 16839 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16839 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16839 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16839 5 'structure solution' 16839 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16839 _Software.ID 6 _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' . . 16839 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16839 6 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 16839 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16839 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16839 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16839 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 16839 1 2 spectrometer_2 Bruker DRX . 600 . . . 16839 1 3 spectrometer_3 Bruker DRX . 800 . . . 16839 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 16839 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 8 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 9 '3D intra-HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 10 '3D (H)NNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 12 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 13 '3D H(C)CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16839 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16839 1 16 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16839 1 17 '3D Me-H(C)CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 18 '3D Me-(H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 19 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16839 1 20 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16839 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 16839 _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 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . . . . . 16839 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 16839 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.10132912 . . . . . . . . . 16839 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 16839 _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' . . . 16839 1 2 '2D 1H-13C HSQC' . . . 16839 1 3 '3D HNCO' . . . 16839 1 4 '3D HNCA' . . . 16839 1 5 '3D HN(CO)CA' . . . 16839 1 6 '3D HNCACB' . . . 16839 1 7 '3D HN(CO)CACB' . . . 16839 1 8 '3D HN(CA)CO' . . . 16839 1 9 '3D intra-HNCA' . . . 16839 1 10 '3D (H)NNH-NOESY' . . . 16839 1 11 '3D H(CCO)NH' . . . 16839 1 12 '3D C(CO)NH' . . . 16839 1 13 '3D H(C)CH-TOCSY' . . . 16839 1 14 '3D 1H-15N TOCSY' . . . 16839 1 15 '3D 1H-13C NOESY' . . . 16839 1 16 '2D 1H-1H NOESY' . . . 16839 1 17 '3D Me-H(C)CH-TOCSY' . . . 16839 1 18 '3D Me-(H)CCH-TOCSY' . . . 16839 1 19 '2D 1H-13C CT-HSQC' . . . 16839 1 20 '3D 1H-15N NOESY' . . . 16839 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE HA H 1 4.121 0.010 . 1 . . . . 1 Phe HA . 16839 1 2 . 1 1 1 1 PHE HB2 H 1 3.052 0.007 . 2 . . . . 1 Phe HB2 . 16839 1 3 . 1 1 1 1 PHE HB3 H 1 3.119 0.004 . 2 . . . . 1 Phe HB3 . 16839 1 4 . 1 1 1 1 PHE HD1 H 1 7.153 0.002 . 3 . . . . 1 Phe HD1 . 16839 1 5 . 1 1 1 1 PHE HD2 H 1 7.153 0.002 . 3 . . . . 1 Phe HD2 . 16839 1 6 . 1 1 1 1 PHE HE1 H 1 7.286 0.002 . 3 . . . . 1 Phe HE1 . 16839 1 7 . 1 1 1 1 PHE HE2 H 1 7.286 0.002 . 3 . . . . 1 Phe HE2 . 16839 1 8 . 1 1 1 1 PHE HZ H 1 7.275 0.004 . 1 . . . . 1 Phe HZ . 16839 1 9 . 1 1 1 1 PHE C C 13 172.379 0.000 . 1 . . . . 1 Phe C . 16839 1 10 . 1 1 1 1 PHE CA C 13 57.239 0.041 . 1 . . . . 1 Phe CA . 16839 1 11 . 1 1 1 1 PHE CB C 13 40.162 0.039 . 1 . . . . 1 Phe CB . 16839 1 12 . 1 1 1 1 PHE CD1 C 13 131.887 0.029 . 3 . . . . 1 Phe CD1 . 16839 1 13 . 1 1 1 1 PHE CD2 C 13 131.887 0.029 . 3 . . . . 1 Phe CD2 . 16839 1 14 . 1 1 1 1 PHE CE1 C 13 131.847 0.023 . 3 . . . . 1 Phe CE1 . 16839 1 15 . 1 1 1 1 PHE CE2 C 13 131.847 0.023 . 3 . . . . 1 Phe CE2 . 16839 1 16 . 1 1 1 1 PHE CZ C 13 130.376 0.158 . 1 . . . . 1 Phe CZ . 16839 1 17 . 1 1 2 2 LEU H H 1 8.379 0.016 . 1 . . . . 2 Leu H . 16839 1 18 . 1 1 2 2 LEU HA H 1 4.356 0.004 . 1 . . . . 2 Leu HA . 16839 1 19 . 1 1 2 2 LEU HB2 H 1 1.475 0.006 . 1 . . . . 2 Leu HB2 . 16839 1 20 . 1 1 2 2 LEU HB3 H 1 1.475 0.006 . 1 . . . . 2 Leu HB3 . 16839 1 21 . 1 1 2 2 LEU HD11 H 1 0.779 0.004 . 2 . . . . 2 Leu HD11 . 16839 1 22 . 1 1 2 2 LEU HD12 H 1 0.779 0.004 . 2 . . . . 2 Leu HD12 . 16839 1 23 . 1 1 2 2 LEU HD13 H 1 0.779 0.004 . 2 . . . . 2 Leu HD13 . 16839 1 24 . 1 1 2 2 LEU HD21 H 1 0.827 0.004 . 2 . . . . 2 Leu HD21 . 16839 1 25 . 1 1 2 2 LEU HD22 H 1 0.827 0.004 . 2 . . . . 2 Leu HD22 . 16839 1 26 . 1 1 2 2 LEU HD23 H 1 0.827 0.004 . 2 . . . . 2 Leu HD23 . 16839 1 27 . 1 1 2 2 LEU HG H 1 1.466 0.006 . 1 . . . . 2 Leu HG . 16839 1 28 . 1 1 2 2 LEU C C 13 176.023 0.015 . 1 . . . . 2 Leu C . 16839 1 29 . 1 1 2 2 LEU CA C 13 54.859 0.029 . 1 . . . . 2 Leu CA . 16839 1 30 . 1 1 2 2 LEU CB C 13 42.847 0.023 . 1 . . . . 2 Leu CB . 16839 1 31 . 1 1 2 2 LEU CD1 C 13 23.953 0.031 . 2 . . . . 2 Leu CD1 . 16839 1 32 . 1 1 2 2 LEU CD2 C 13 24.693 0.035 . 2 . . . . 2 Leu CD2 . 16839 1 33 . 1 1 2 2 LEU CG C 13 26.886 0.052 . 1 . . . . 2 Leu CG . 16839 1 34 . 1 1 2 2 LEU N N 15 124.850 0.088 . 1 . . . . 2 Leu N . 16839 1 35 . 1 1 3 3 LEU H H 1 8.266 0.002 . 1 . . . . 3 Leu H . 16839 1 36 . 1 1 3 3 LEU HA H 1 4.542 0.005 . 1 . . . . 3 Leu HA . 16839 1 37 . 1 1 3 3 LEU HB2 H 1 1.484 0.007 . 1 . . . . 3 Leu HB2 . 16839 1 38 . 1 1 3 3 LEU HB3 H 1 1.484 0.007 . 1 . . . . 3 Leu HB3 . 16839 1 39 . 1 1 3 3 LEU HD11 H 1 0.846 0.004 . 2 . . . . 3 Leu HD11 . 16839 1 40 . 1 1 3 3 LEU HD12 H 1 0.846 0.004 . 2 . . . . 3 Leu HD12 . 16839 1 41 . 1 1 3 3 LEU HD13 H 1 0.846 0.004 . 2 . . . . 3 Leu HD13 . 16839 1 42 . 1 1 3 3 LEU HD21 H 1 0.849 0.005 . 2 . . . . 3 Leu HD21 . 16839 1 43 . 1 1 3 3 LEU HD22 H 1 0.849 0.005 . 2 . . . . 3 Leu HD22 . 16839 1 44 . 1 1 3 3 LEU HD23 H 1 0.849 0.005 . 2 . . . . 3 Leu HD23 . 16839 1 45 . 1 1 3 3 LEU HG H 1 1.583 0.001 . 1 . . . . 3 Leu HG . 16839 1 46 . 1 1 3 3 LEU CA C 13 52.669 0.027 . 1 . . . . 3 Leu CA . 16839 1 47 . 1 1 3 3 LEU CB C 13 41.942 0.045 . 1 . . . . 3 Leu CB . 16839 1 48 . 1 1 3 3 LEU CD1 C 13 25.175 0.057 . 2 . . . . 3 Leu CD1 . 16839 1 49 . 1 1 3 3 LEU CD2 C 13 23.829 0.037 . 2 . . . . 3 Leu CD2 . 16839 1 50 . 1 1 3 3 LEU CG C 13 26.986 0.000 . 1 . . . . 3 Leu CG . 16839 1 51 . 1 1 3 3 LEU N N 15 125.493 0.025 . 1 . . . . 3 Leu N . 16839 1 52 . 1 1 4 4 PRO HA H 1 4.570 0.008 . 1 . . . . 4 Pro HA . 16839 1 53 . 1 1 4 4 PRO HB2 H 1 1.825 0.002 . 2 . . . . 4 Pro HB2 . 16839 1 54 . 1 1 4 4 PRO HB3 H 1 2.270 0.003 . 2 . . . . 4 Pro HB3 . 16839 1 55 . 1 1 4 4 PRO HD2 H 1 3.548 0.004 . 2 . . . . 4 Pro HD2 . 16839 1 56 . 1 1 4 4 PRO HD3 H 1 3.836 0.006 . 2 . . . . 4 Pro HD3 . 16839 1 57 . 1 1 4 4 PRO HG2 H 1 1.947 0.005 . 2 . . . . 4 Pro HG2 . 16839 1 58 . 1 1 4 4 PRO HG3 H 1 1.993 0.002 . 2 . . . . 4 Pro HG3 . 16839 1 59 . 1 1 4 4 PRO CA C 13 61.386 0.026 . 1 . . . . 4 Pro CA . 16839 1 60 . 1 1 4 4 PRO CB C 13 30.799 0.031 . 1 . . . . 4 Pro CB . 16839 1 61 . 1 1 4 4 PRO CD C 13 50.569 0.040 . 1 . . . . 4 Pro CD . 16839 1 62 . 1 1 4 4 PRO CG C 13 27.408 0.042 . 1 . . . . 4 Pro CG . 16839 1 63 . 1 1 5 5 PRO HA H 1 4.377 0.004 . 1 . . . . 5 Pro HA . 16839 1 64 . 1 1 5 5 PRO HB2 H 1 1.851 0.005 . 2 . . . . 5 Pro HB2 . 16839 1 65 . 1 1 5 5 PRO HB3 H 1 2.201 0.006 . 2 . . . . 5 Pro HB3 . 16839 1 66 . 1 1 5 5 PRO HD2 H 1 3.541 0.003 . 2 . . . . 5 Pro HD2 . 16839 1 67 . 1 1 5 5 PRO HD3 H 1 3.692 0.006 . 2 . . . . 5 Pro HD3 . 16839 1 68 . 1 1 5 5 PRO HG2 H 1 1.921 0.004 . 1 . . . . 5 Pro HG2 . 16839 1 69 . 1 1 5 5 PRO HG3 H 1 1.921 0.004 . 1 . . . . 5 Pro HG3 . 16839 1 70 . 1 1 5 5 PRO C C 13 177.037 0.008 . 1 . . . . 5 Pro C . 16839 1 71 . 1 1 5 5 PRO CA C 13 63.100 0.040 . 1 . . . . 5 Pro CA . 16839 1 72 . 1 1 5 5 PRO CB C 13 32.063 0.033 . 1 . . . . 5 Pro CB . 16839 1 73 . 1 1 5 5 PRO CD C 13 50.389 0.019 . 1 . . . . 5 Pro CD . 16839 1 74 . 1 1 5 5 PRO CG C 13 27.347 0.035 . 1 . . . . 5 Pro CG . 16839 1 75 . 1 1 6 6 SER H H 1 8.364 0.007 . 1 . . . . 6 Ser H . 16839 1 76 . 1 1 6 6 SER HA H 1 4.383 0.006 . 1 . . . . 6 Ser HA . 16839 1 77 . 1 1 6 6 SER HB2 H 1 3.818 0.011 . 2 . . . . 6 Ser HB2 . 16839 1 78 . 1 1 6 6 SER HB3 H 1 3.840 0.011 . 2 . . . . 6 Ser HB3 . 16839 1 79 . 1 1 6 6 SER C C 13 174.727 0.012 . 1 . . . . 6 Ser C . 16839 1 80 . 1 1 6 6 SER CA C 13 58.405 0.029 . 1 . . . . 6 Ser CA . 16839 1 81 . 1 1 6 6 SER CB C 13 63.740 0.047 . 1 . . . . 6 Ser CB . 16839 1 82 . 1 1 6 6 SER N N 15 115.710 0.092 . 1 . . . . 6 Ser N . 16839 1 83 . 1 1 7 7 THR H H 1 8.176 0.005 . 1 . . . . 7 Thr H . 16839 1 84 . 1 1 7 7 THR HA H 1 4.262 0.009 . 1 . . . . 7 Thr HA . 16839 1 85 . 1 1 7 7 THR HB H 1 4.128 0.010 . 1 . . . . 7 Thr HB . 16839 1 86 . 1 1 7 7 THR HG21 H 1 1.147 0.006 . 1 . . . . 7 Thr HG21 . 16839 1 87 . 1 1 7 7 THR HG22 H 1 1.147 0.006 . 1 . . . . 7 Thr HG22 . 16839 1 88 . 1 1 7 7 THR HG23 H 1 1.147 0.006 . 1 . . . . 7 Thr HG23 . 16839 1 89 . 1 1 7 7 THR C C 13 173.728 0.014 . 1 . . . . 7 Thr C . 16839 1 90 . 1 1 7 7 THR CA C 13 61.964 0.040 . 1 . . . . 7 Thr CA . 16839 1 91 . 1 1 7 7 THR CB C 13 69.748 0.029 . 1 . . . . 7 Thr CB . 16839 1 92 . 1 1 7 7 THR CG2 C 13 21.755 0.001 . 1 . . . . 7 Thr CG2 . 16839 1 93 . 1 1 7 7 THR N N 15 116.952 0.020 . 1 . . . . 7 Thr N . 16839 1 94 . 1 1 8 8 ALA H H 1 8.254 0.003 . 1 . . . . 8 Ala H . 16839 1 95 . 1 1 8 8 ALA HA H 1 4.295 0.007 . 1 . . . . 8 Ala HA . 16839 1 96 . 1 1 8 8 ALA HB1 H 1 1.303 0.003 . 1 . . . . 8 Ala HB1 . 16839 1 97 . 1 1 8 8 ALA HB2 H 1 1.303 0.003 . 1 . . . . 8 Ala HB2 . 16839 1 98 . 1 1 8 8 ALA HB3 H 1 1.303 0.003 . 1 . . . . 8 Ala HB3 . 16839 1 99 . 1 1 8 8 ALA C C 13 177.618 0.019 . 1 . . . . 8 Ala C . 16839 1 100 . 1 1 8 8 ALA CA C 13 52.230 0.040 . 1 . . . . 8 Ala CA . 16839 1 101 . 1 1 8 8 ALA CB C 13 19.467 0.060 . 1 . . . . 8 Ala CB . 16839 1 102 . 1 1 8 8 ALA N N 15 126.587 0.049 . 1 . . . . 8 Ala N . 16839 1 103 . 1 1 9 9 CYS H H 1 8.227 0.005 . 1 . . . . 9 Cys H . 16839 1 104 . 1 1 9 9 CYS HA H 1 4.497 0.005 . 1 . . . . 9 Cys HA . 16839 1 105 . 1 1 9 9 CYS HB2 H 1 2.631 0.007 . 2 . . . . 9 Cys HB2 . 16839 1 106 . 1 1 9 9 CYS HB3 H 1 2.891 0.006 . 2 . . . . 9 Cys HB3 . 16839 1 107 . 1 1 9 9 CYS C C 13 175.537 0.014 . 1 . . . . 9 Cys C . 16839 1 108 . 1 1 9 9 CYS CA C 13 54.565 0.033 . 1 . . . . 9 Cys CA . 16839 1 109 . 1 1 9 9 CYS CB C 13 39.109 0.025 . 1 . . . . 9 Cys CB . 16839 1 110 . 1 1 9 9 CYS N N 15 117.940 0.080 . 1 . . . . 9 Cys N . 16839 1 111 . 1 1 10 10 CYS H H 1 9.597 0.006 . 1 . . . . 10 Cys H . 16839 1 112 . 1 1 10 10 CYS HA H 1 4.540 0.015 . 1 . . . . 10 Cys HA . 16839 1 113 . 1 1 10 10 CYS HB2 H 1 2.537 0.004 . 2 . . . . 10 Cys HB2 . 16839 1 114 . 1 1 10 10 CYS HB3 H 1 2.736 0.012 . 2 . . . . 10 Cys HB3 . 16839 1 115 . 1 1 10 10 CYS C C 13 175.334 0.050 . 1 . . . . 10 Cys C . 16839 1 116 . 1 1 10 10 CYS CA C 13 56.798 0.027 . 1 . . . . 10 Cys CA . 16839 1 117 . 1 1 10 10 CYS CB C 13 41.008 0.061 . 1 . . . . 10 Cys CB . 16839 1 118 . 1 1 10 10 CYS N N 15 122.969 0.031 . 1 . . . . 10 Cys N . 16839 1 119 . 1 1 11 11 THR H H 1 8.849 0.005 . 1 . . . . 11 Thr H . 16839 1 120 . 1 1 11 11 THR HA H 1 4.299 0.003 . 1 . . . . 11 Thr HA . 16839 1 121 . 1 1 11 11 THR HB H 1 4.233 0.007 . 1 . . . . 11 Thr HB . 16839 1 122 . 1 1 11 11 THR HG21 H 1 1.088 0.007 . 1 . . . . 11 Thr HG21 . 16839 1 123 . 1 1 11 11 THR HG22 H 1 1.088 0.007 . 1 . . . . 11 Thr HG22 . 16839 1 124 . 1 1 11 11 THR HG23 H 1 1.088 0.007 . 1 . . . . 11 Thr HG23 . 16839 1 125 . 1 1 11 11 THR C C 13 173.751 0.006 . 1 . . . . 11 Thr C . 16839 1 126 . 1 1 11 11 THR CA C 13 62.102 0.036 . 1 . . . . 11 Thr CA . 16839 1 127 . 1 1 11 11 THR CB C 13 69.958 0.066 . 1 . . . . 11 Thr CB . 16839 1 128 . 1 1 11 11 THR CG2 C 13 21.891 0.053 . 1 . . . . 11 Thr CG2 . 16839 1 129 . 1 1 11 11 THR N N 15 113.415 0.051 . 1 . . . . 11 Thr N . 16839 1 130 . 1 1 12 12 GLN H H 1 7.770 0.007 . 1 . . . . 12 Gln H . 16839 1 131 . 1 1 12 12 GLN HA H 1 4.489 0.009 . 1 . . . . 12 Gln HA . 16839 1 132 . 1 1 12 12 GLN HB2 H 1 1.911 0.007 . 2 . . . . 12 Gln HB2 . 16839 1 133 . 1 1 12 12 GLN HB3 H 1 1.987 0.008 . 2 . . . . 12 Gln HB3 . 16839 1 134 . 1 1 12 12 GLN HE21 H 1 6.817 0.003 . 1 . . . . 12 Gln HE21 . 16839 1 135 . 1 1 12 12 GLN HE22 H 1 7.451 0.003 . 1 . . . . 12 Gln HE22 . 16839 1 136 . 1 1 12 12 GLN HG2 H 1 2.259 0.005 . 1 . . . . 12 Gln HG2 . 16839 1 137 . 1 1 12 12 GLN HG3 H 1 2.258 0.005 . 1 . . . . 12 Gln HG3 . 16839 1 138 . 1 1 12 12 GLN C C 13 174.360 0.005 . 1 . . . . 12 Gln C . 16839 1 139 . 1 1 12 12 GLN CA C 13 54.828 0.031 . 1 . . . . 12 Gln CA . 16839 1 140 . 1 1 12 12 GLN CB C 13 30.255 0.038 . 1 . . . . 12 Gln CB . 16839 1 141 . 1 1 12 12 GLN CD C 13 180.558 0.000 . 1 . . . . 12 Gln CD . 16839 1 142 . 1 1 12 12 GLN CG C 13 33.458 0.043 . 1 . . . . 12 Gln CG . 16839 1 143 . 1 1 12 12 GLN N N 15 122.152 0.017 . 1 . . . . 12 Gln N . 16839 1 144 . 1 1 12 12 GLN NE2 N 15 112.296 0.019 . 1 . . . . 12 Gln NE2 . 16839 1 145 . 1 1 13 13 LEU H H 1 8.553 0.004 . 1 . . . . 13 Leu H . 16839 1 146 . 1 1 13 13 LEU HA H 1 4.358 0.005 . 1 . . . . 13 Leu HA . 16839 1 147 . 1 1 13 13 LEU HB2 H 1 1.126 0.009 . 2 . . . . 13 Leu HB2 . 16839 1 148 . 1 1 13 13 LEU HB3 H 1 1.920 0.007 . 2 . . . . 13 Leu HB3 . 16839 1 149 . 1 1 13 13 LEU HD11 H 1 0.573 0.003 . 2 . . . . 13 Leu HD11 . 16839 1 150 . 1 1 13 13 LEU HD12 H 1 0.573 0.003 . 2 . . . . 13 Leu HD12 . 16839 1 151 . 1 1 13 13 LEU HD13 H 1 0.573 0.003 . 2 . . . . 13 Leu HD13 . 16839 1 152 . 1 1 13 13 LEU HD21 H 1 0.884 0.003 . 2 . . . . 13 Leu HD21 . 16839 1 153 . 1 1 13 13 LEU HD22 H 1 0.884 0.003 . 2 . . . . 13 Leu HD22 . 16839 1 154 . 1 1 13 13 LEU HD23 H 1 0.884 0.003 . 2 . . . . 13 Leu HD23 . 16839 1 155 . 1 1 13 13 LEU HG H 1 1.572 0.003 . 1 . . . . 13 Leu HG . 16839 1 156 . 1 1 13 13 LEU C C 13 176.120 0.001 . 1 . . . . 13 Leu C . 16839 1 157 . 1 1 13 13 LEU CA C 13 53.616 0.035 . 1 . . . . 13 Leu CA . 16839 1 158 . 1 1 13 13 LEU CB C 13 43.117 0.040 . 1 . . . . 13 Leu CB . 16839 1 159 . 1 1 13 13 LEU CD1 C 13 24.127 0.034 . 2 . . . . 13 Leu CD1 . 16839 1 160 . 1 1 13 13 LEU CD2 C 13 26.476 0.054 . 2 . . . . 13 Leu CD2 . 16839 1 161 . 1 1 13 13 LEU CG C 13 26.693 0.037 . 1 . . . . 13 Leu CG . 16839 1 162 . 1 1 13 13 LEU N N 15 122.158 0.051 . 1 . . . . 13 Leu N . 16839 1 163 . 1 1 14 14 TYR H H 1 8.925 0.010 . 1 . . . . 14 Tyr H . 16839 1 164 . 1 1 14 14 TYR HA H 1 4.524 0.007 . 1 . . . . 14 Tyr HA . 16839 1 165 . 1 1 14 14 TYR HB2 H 1 3.100 0.008 . 1 . . . . 14 Tyr HB2 . 16839 1 166 . 1 1 14 14 TYR HB3 H 1 3.100 0.008 . 1 . . . . 14 Tyr HB3 . 16839 1 167 . 1 1 14 14 TYR HD1 H 1 7.018 0.005 . 3 . . . . 14 Tyr HD1 . 16839 1 168 . 1 1 14 14 TYR HD2 H 1 7.018 0.005 . 3 . . . . 14 Tyr HD2 . 16839 1 169 . 1 1 14 14 TYR HE1 H 1 6.679 0.006 . 3 . . . . 14 Tyr HE1 . 16839 1 170 . 1 1 14 14 TYR HE2 H 1 6.679 0.006 . 3 . . . . 14 Tyr HE2 . 16839 1 171 . 1 1 14 14 TYR C C 13 177.986 0.000 . 1 . . . . 14 Tyr C . 16839 1 172 . 1 1 14 14 TYR CA C 13 60.002 0.049 . 1 . . . . 14 Tyr CA . 16839 1 173 . 1 1 14 14 TYR CB C 13 39.557 0.022 . 1 . . . . 14 Tyr CB . 16839 1 174 . 1 1 14 14 TYR CD1 C 13 133.029 0.030 . 3 . . . . 14 Tyr CD1 . 16839 1 175 . 1 1 14 14 TYR CD2 C 13 133.029 0.030 . 3 . . . . 14 Tyr CD2 . 16839 1 176 . 1 1 14 14 TYR CE1 C 13 119.034 0.039 . 3 . . . . 14 Tyr CE1 . 16839 1 177 . 1 1 14 14 TYR CE2 C 13 119.034 0.039 . 3 . . . . 14 Tyr CE2 . 16839 1 178 . 1 1 14 14 TYR N N 15 125.141 0.036 . 1 . . . . 14 Tyr N . 16839 1 179 . 1 1 15 15 ARG HA H 1 4.332 0.004 . 1 . . . . 15 Arg HA . 16839 1 180 . 1 1 15 15 ARG HB2 H 1 1.429 0.005 . 2 . . . . 15 Arg HB2 . 16839 1 181 . 1 1 15 15 ARG HB3 H 1 1.844 0.002 . 2 . . . . 15 Arg HB3 . 16839 1 182 . 1 1 15 15 ARG HD2 H 1 2.807 0.008 . 2 . . . . 15 Arg HD2 . 16839 1 183 . 1 1 15 15 ARG HD3 H 1 2.838 0.006 . 2 . . . . 15 Arg HD3 . 16839 1 184 . 1 1 15 15 ARG HE H 1 7.036 0.008 . 1 . . . . 15 Arg HE . 16839 1 185 . 1 1 15 15 ARG HG2 H 1 1.398 0.004 . 2 . . . . 15 Arg HG2 . 16839 1 186 . 1 1 15 15 ARG HG3 H 1 1.477 0.004 . 2 . . . . 15 Arg HG3 . 16839 1 187 . 1 1 15 15 ARG CA C 13 56.795 0.027 . 1 . . . . 15 Arg CA . 16839 1 188 . 1 1 15 15 ARG CB C 13 32.665 0.037 . 1 . . . . 15 Arg CB . 16839 1 189 . 1 1 15 15 ARG CD C 13 43.270 0.020 . 1 . . . . 15 Arg CD . 16839 1 190 . 1 1 15 15 ARG CG C 13 28.225 0.030 . 1 . . . . 15 Arg CG . 16839 1 191 . 1 1 15 15 ARG NE N 15 108.522 0.043 . 1 . . . . 15 Arg NE . 16839 1 192 . 1 1 16 16 LYS HA H 1 4.306 0.002 . 1 . . . . 16 Lys HA . 16839 1 193 . 1 1 16 16 LYS HB2 H 1 1.226 0.007 . 2 . . . . 16 Lys HB2 . 16839 1 194 . 1 1 16 16 LYS HB3 H 1 1.773 0.007 . 2 . . . . 16 Lys HB3 . 16839 1 195 . 1 1 16 16 LYS HD2 H 1 1.536 0.001 . 2 . . . . 16 Lys HD2 . 16839 1 196 . 1 1 16 16 LYS HD3 H 1 1.579 0.001 . 2 . . . . 16 Lys HD3 . 16839 1 197 . 1 1 16 16 LYS HE2 H 1 2.889 0.003 . 1 . . . . 16 Lys HE2 . 16839 1 198 . 1 1 16 16 LYS HE3 H 1 2.889 0.003 . 1 . . . . 16 Lys HE3 . 16839 1 199 . 1 1 16 16 LYS HG2 H 1 1.233 0.003 . 1 . . . . 16 Lys HG2 . 16839 1 200 . 1 1 16 16 LYS HG3 H 1 1.233 0.003 . 1 . . . . 16 Lys HG3 . 16839 1 201 . 1 1 16 16 LYS CA C 13 54.820 0.029 . 1 . . . . 16 Lys CA . 16839 1 202 . 1 1 16 16 LYS CB C 13 31.522 0.043 . 1 . . . . 16 Lys CB . 16839 1 203 . 1 1 16 16 LYS CD C 13 29.039 0.013 . 1 . . . . 16 Lys CD . 16839 1 204 . 1 1 16 16 LYS CE C 13 42.092 0.000 . 1 . . . . 16 Lys CE . 16839 1 205 . 1 1 16 16 LYS CG C 13 25.323 0.038 . 1 . . . . 16 Lys CG . 16839 1 206 . 1 1 17 17 PRO HA H 1 4.481 0.004 . 1 . . . . 17 Pro HA . 16839 1 207 . 1 1 17 17 PRO HB2 H 1 1.752 0.006 . 2 . . . . 17 Pro HB2 . 16839 1 208 . 1 1 17 17 PRO HB3 H 1 2.187 0.007 . 2 . . . . 17 Pro HB3 . 16839 1 209 . 1 1 17 17 PRO HD2 H 1 3.510 0.008 . 2 . . . . 17 Pro HD2 . 16839 1 210 . 1 1 17 17 PRO HD3 H 1 3.675 0.011 . 2 . . . . 17 Pro HD3 . 16839 1 211 . 1 1 17 17 PRO HG2 H 1 1.865 0.003 . 2 . . . . 17 Pro HG2 . 16839 1 212 . 1 1 17 17 PRO HG3 H 1 2.049 0.005 . 2 . . . . 17 Pro HG3 . 16839 1 213 . 1 1 17 17 PRO C C 13 176.958 0.015 . 1 . . . . 17 Pro C . 16839 1 214 . 1 1 17 17 PRO CA C 13 63.400 0.040 . 1 . . . . 17 Pro CA . 16839 1 215 . 1 1 17 17 PRO CB C 13 32.043 0.035 . 1 . . . . 17 Pro CB . 16839 1 216 . 1 1 17 17 PRO CD C 13 50.368 0.024 . 1 . . . . 17 Pro CD . 16839 1 217 . 1 1 17 17 PRO CG C 13 28.001 0.045 . 1 . . . . 17 Pro CG . 16839 1 218 . 1 1 18 18 LEU H H 1 8.449 0.005 . 1 . . . . 18 Leu H . 16839 1 219 . 1 1 18 18 LEU HA H 1 4.439 0.008 . 1 . . . . 18 Leu HA . 16839 1 220 . 1 1 18 18 LEU HB2 H 1 1.269 0.008 . 2 . . . . 18 Leu HB2 . 16839 1 221 . 1 1 18 18 LEU HB3 H 1 1.489 0.010 . 2 . . . . 18 Leu HB3 . 16839 1 222 . 1 1 18 18 LEU HD11 H 1 0.693 0.007 . 2 . . . . 18 Leu HD11 . 16839 1 223 . 1 1 18 18 LEU HD12 H 1 0.693 0.007 . 2 . . . . 18 Leu HD12 . 16839 1 224 . 1 1 18 18 LEU HD13 H 1 0.693 0.007 . 2 . . . . 18 Leu HD13 . 16839 1 225 . 1 1 18 18 LEU HD21 H 1 0.721 0.005 . 2 . . . . 18 Leu HD21 . 16839 1 226 . 1 1 18 18 LEU HD22 H 1 0.721 0.005 . 2 . . . . 18 Leu HD22 . 16839 1 227 . 1 1 18 18 LEU HD23 H 1 0.721 0.005 . 2 . . . . 18 Leu HD23 . 16839 1 228 . 1 1 18 18 LEU HG H 1 1.755 0.005 . 1 . . . . 18 Leu HG . 16839 1 229 . 1 1 18 18 LEU C C 13 175.998 0.002 . 1 . . . . 18 Leu C . 16839 1 230 . 1 1 18 18 LEU CA C 13 53.471 0.052 . 1 . . . . 18 Leu CA . 16839 1 231 . 1 1 18 18 LEU CB C 13 43.266 0.060 . 1 . . . . 18 Leu CB . 16839 1 232 . 1 1 18 18 LEU CD1 C 13 25.667 0.068 . 2 . . . . 18 Leu CD1 . 16839 1 233 . 1 1 18 18 LEU CD2 C 13 23.773 0.027 . 2 . . . . 18 Leu CD2 . 16839 1 234 . 1 1 18 18 LEU CG C 13 27.151 0.075 . 1 . . . . 18 Leu CG . 16839 1 235 . 1 1 18 18 LEU N N 15 123.420 0.030 . 1 . . . . 18 Leu N . 16839 1 236 . 1 1 19 19 SER H H 1 8.135 0.009 . 1 . . . . 19 Ser H . 16839 1 237 . 1 1 19 19 SER HA H 1 4.361 0.005 . 1 . . . . 19 Ser HA . 16839 1 238 . 1 1 19 19 SER HB2 H 1 3.844 0.004 . 2 . . . . 19 Ser HB2 . 16839 1 239 . 1 1 19 19 SER HB3 H 1 4.152 0.004 . 2 . . . . 19 Ser HB3 . 16839 1 240 . 1 1 19 19 SER C C 13 174.896 0.009 . 1 . . . . 19 Ser C . 16839 1 241 . 1 1 19 19 SER CA C 13 57.247 0.049 . 1 . . . . 19 Ser CA . 16839 1 242 . 1 1 19 19 SER CB C 13 64.660 0.056 . 1 . . . . 19 Ser CB . 16839 1 243 . 1 1 19 19 SER N N 15 116.775 0.037 . 1 . . . . 19 Ser N . 16839 1 244 . 1 1 20 20 ASP H H 1 8.880 0.003 . 1 . . . . 20 Asp H . 16839 1 245 . 1 1 20 20 ASP HA H 1 4.173 0.008 . 1 . . . . 20 Asp HA . 16839 1 246 . 1 1 20 20 ASP HB2 H 1 2.611 0.006 . 1 . . . . 20 Asp HB2 . 16839 1 247 . 1 1 20 20 ASP HB3 H 1 2.611 0.006 . 1 . . . . 20 Asp HB3 . 16839 1 248 . 1 1 20 20 ASP C C 13 177.837 0.044 . 1 . . . . 20 Asp C . 16839 1 249 . 1 1 20 20 ASP CA C 13 57.579 0.057 . 1 . . . . 20 Asp CA . 16839 1 250 . 1 1 20 20 ASP CB C 13 40.606 0.060 . 1 . . . . 20 Asp CB . 16839 1 251 . 1 1 20 20 ASP N N 15 124.218 0.042 . 1 . . . . 20 Asp N . 16839 1 252 . 1 1 21 21 LYS H H 1 7.907 0.003 . 1 . . . . 21 Lys H . 16839 1 253 . 1 1 21 21 LYS HA H 1 3.789 0.004 . 1 . . . . 21 Lys HA . 16839 1 254 . 1 1 21 21 LYS HB2 H 1 1.676 0.005 . 1 . . . . 21 Lys HB2 . 16839 1 255 . 1 1 21 21 LYS HB3 H 1 1.676 0.005 . 1 . . . . 21 Lys HB3 . 16839 1 256 . 1 1 21 21 LYS HD2 H 1 1.593 0.004 . 1 . . . . 21 Lys HD2 . 16839 1 257 . 1 1 21 21 LYS HD3 H 1 1.593 0.004 . 1 . . . . 21 Lys HD3 . 16839 1 258 . 1 1 21 21 LYS HE2 H 1 2.925 0.004 . 1 . . . . 21 Lys HE2 . 16839 1 259 . 1 1 21 21 LYS HE3 H 1 2.925 0.004 . 1 . . . . 21 Lys HE3 . 16839 1 260 . 1 1 21 21 LYS HG2 H 1 1.298 0.006 . 2 . . . . 21 Lys HG2 . 16839 1 261 . 1 1 21 21 LYS HG3 H 1 1.428 0.005 . 2 . . . . 21 Lys HG3 . 16839 1 262 . 1 1 21 21 LYS C C 13 178.408 0.063 . 1 . . . . 21 Lys C . 16839 1 263 . 1 1 21 21 LYS CA C 13 59.161 0.046 . 1 . . . . 21 Lys CA . 16839 1 264 . 1 1 21 21 LYS CB C 13 32.416 0.054 . 1 . . . . 21 Lys CB . 16839 1 265 . 1 1 21 21 LYS CD C 13 29.257 0.017 . 1 . . . . 21 Lys CD . 16839 1 266 . 1 1 21 21 LYS CE C 13 42.060 0.012 . 1 . . . . 21 Lys CE . 16839 1 267 . 1 1 21 21 LYS CG C 13 25.231 0.041 . 1 . . . . 21 Lys CG . 16839 1 268 . 1 1 21 21 LYS N N 15 117.083 0.030 . 1 . . . . 21 Lys N . 16839 1 269 . 1 1 22 22 LEU H H 1 7.234 0.006 . 1 . . . . 22 Leu H . 16839 1 270 . 1 1 22 22 LEU HA H 1 3.984 0.007 . 1 . . . . 22 Leu HA . 16839 1 271 . 1 1 22 22 LEU HB2 H 1 1.566 0.003 . 1 . . . . 22 Leu HB2 . 16839 1 272 . 1 1 22 22 LEU HB3 H 1 1.566 0.003 . 1 . . . . 22 Leu HB3 . 16839 1 273 . 1 1 22 22 LEU HD11 H 1 0.656 0.004 . 2 . . . . 22 Leu HD11 . 16839 1 274 . 1 1 22 22 LEU HD12 H 1 0.656 0.004 . 2 . . . . 22 Leu HD12 . 16839 1 275 . 1 1 22 22 LEU HD13 H 1 0.656 0.004 . 2 . . . . 22 Leu HD13 . 16839 1 276 . 1 1 22 22 LEU HD21 H 1 0.743 0.005 . 2 . . . . 22 Leu HD21 . 16839 1 277 . 1 1 22 22 LEU HD22 H 1 0.743 0.005 . 2 . . . . 22 Leu HD22 . 16839 1 278 . 1 1 22 22 LEU HD23 H 1 0.743 0.005 . 2 . . . . 22 Leu HD23 . 16839 1 279 . 1 1 22 22 LEU HG H 1 1.418 0.004 . 1 . . . . 22 Leu HG . 16839 1 280 . 1 1 22 22 LEU C C 13 179.138 0.039 . 1 . . . . 22 Leu C . 16839 1 281 . 1 1 22 22 LEU CA C 13 57.548 0.069 . 1 . . . . 22 Leu CA . 16839 1 282 . 1 1 22 22 LEU CB C 13 42.320 0.024 . 1 . . . . 22 Leu CB . 16839 1 283 . 1 1 22 22 LEU CD1 C 13 24.980 0.073 . 2 . . . . 22 Leu CD1 . 16839 1 284 . 1 1 22 22 LEU CD2 C 13 25.047 0.038 . 2 . . . . 22 Leu CD2 . 16839 1 285 . 1 1 22 22 LEU CG C 13 27.381 0.115 . 1 . . . . 22 Leu CG . 16839 1 286 . 1 1 22 22 LEU N N 15 119.926 0.034 . 1 . . . . 22 Leu N . 16839 1 287 . 1 1 23 23 LEU H H 1 7.799 0.007 . 1 . . . . 23 Leu H . 16839 1 288 . 1 1 23 23 LEU HA H 1 3.643 0.006 . 1 . . . . 23 Leu HA . 16839 1 289 . 1 1 23 23 LEU HB2 H 1 0.836 0.009 . 2 . . . . 23 Leu HB2 . 16839 1 290 . 1 1 23 23 LEU HB3 H 1 1.451 0.009 . 2 . . . . 23 Leu HB3 . 16839 1 291 . 1 1 23 23 LEU HD11 H 1 0.232 0.006 . 2 . . . . 23 Leu HD11 . 16839 1 292 . 1 1 23 23 LEU HD12 H 1 0.232 0.006 . 2 . . . . 23 Leu HD12 . 16839 1 293 . 1 1 23 23 LEU HD13 H 1 0.232 0.006 . 2 . . . . 23 Leu HD13 . 16839 1 294 . 1 1 23 23 LEU HD21 H 1 0.487 0.006 . 2 . . . . 23 Leu HD21 . 16839 1 295 . 1 1 23 23 LEU HD22 H 1 0.487 0.006 . 2 . . . . 23 Leu HD22 . 16839 1 296 . 1 1 23 23 LEU HD23 H 1 0.487 0.006 . 2 . . . . 23 Leu HD23 . 16839 1 297 . 1 1 23 23 LEU HG H 1 1.387 0.005 . 1 . . . . 23 Leu HG . 16839 1 298 . 1 1 23 23 LEU C C 13 179.629 0.020 . 1 . . . . 23 Leu C . 16839 1 299 . 1 1 23 23 LEU CA C 13 57.653 0.040 . 1 . . . . 23 Leu CA . 16839 1 300 . 1 1 23 23 LEU CB C 13 40.869 0.087 . 1 . . . . 23 Leu CB . 16839 1 301 . 1 1 23 23 LEU CD1 C 13 22.585 0.067 . 2 . . . . 23 Leu CD1 . 16839 1 302 . 1 1 23 23 LEU CD2 C 13 25.107 0.068 . 2 . . . . 23 Leu CD2 . 16839 1 303 . 1 1 23 23 LEU CG C 13 26.490 0.065 . 1 . . . . 23 Leu CG . 16839 1 304 . 1 1 23 23 LEU N N 15 117.999 0.025 . 1 . . . . 23 Leu N . 16839 1 305 . 1 1 24 24 ARG H H 1 7.731 0.006 . 1 . . . . 24 Arg H . 16839 1 306 . 1 1 24 24 ARG HA H 1 4.130 0.003 . 1 . . . . 24 Arg HA . 16839 1 307 . 1 1 24 24 ARG HB2 H 1 1.771 0.010 . 2 . . . . 24 Arg HB2 . 16839 1 308 . 1 1 24 24 ARG HB3 H 1 1.880 0.003 . 2 . . . . 24 Arg HB3 . 16839 1 309 . 1 1 24 24 ARG HD2 H 1 3.083 0.006 . 2 . . . . 24 Arg HD2 . 16839 1 310 . 1 1 24 24 ARG HD3 H 1 3.156 0.005 . 2 . . . . 24 Arg HD3 . 16839 1 311 . 1 1 24 24 ARG HE H 1 7.337 0.002 . 1 . . . . 24 Arg HE . 16839 1 312 . 1 1 24 24 ARG HG2 H 1 1.696 0.006 . 2 . . . . 24 Arg HG2 . 16839 1 313 . 1 1 24 24 ARG HG3 H 1 1.770 0.009 . 2 . . . . 24 Arg HG3 . 16839 1 314 . 1 1 24 24 ARG C C 13 177.133 0.019 . 1 . . . . 24 Arg C . 16839 1 315 . 1 1 24 24 ARG CA C 13 58.143 0.037 . 1 . . . . 24 Arg CA . 16839 1 316 . 1 1 24 24 ARG CB C 13 30.407 0.030 . 1 . . . . 24 Arg CB . 16839 1 317 . 1 1 24 24 ARG CD C 13 43.522 0.028 . 1 . . . . 24 Arg CD . 16839 1 318 . 1 1 24 24 ARG CG C 13 28.082 0.030 . 1 . . . . 24 Arg CG . 16839 1 319 . 1 1 24 24 ARG N N 15 115.605 0.044 . 1 . . . . 24 Arg N . 16839 1 320 . 1 1 24 24 ARG NE N 15 109.130 0.007 . 1 . . . . 24 Arg NE . 16839 1 321 . 1 1 25 25 LYS H H 1 7.650 0.005 . 1 . . . . 25 Lys H . 16839 1 322 . 1 1 25 25 LYS HA H 1 4.339 0.003 . 1 . . . . 25 Lys HA . 16839 1 323 . 1 1 25 25 LYS HB2 H 1 1.959 0.005 . 2 . . . . 25 Lys HB2 . 16839 1 324 . 1 1 25 25 LYS HB3 H 1 2.046 0.006 . 2 . . . . 25 Lys HB3 . 16839 1 325 . 1 1 25 25 LYS HD2 H 1 1.596 0.003 . 2 . . . . 25 Lys HD2 . 16839 1 326 . 1 1 25 25 LYS HD3 H 1 1.680 0.002 . 2 . . . . 25 Lys HD3 . 16839 1 327 . 1 1 25 25 LYS HE2 H 1 2.934 0.010 . 1 . . . . 25 Lys HE2 . 16839 1 328 . 1 1 25 25 LYS HE3 H 1 2.934 0.010 . 1 . . . . 25 Lys HE3 . 16839 1 329 . 1 1 25 25 LYS HG2 H 1 1.392 0.004 . 2 . . . . 25 Lys HG2 . 16839 1 330 . 1 1 25 25 LYS HG3 H 1 1.582 0.004 . 2 . . . . 25 Lys HG3 . 16839 1 331 . 1 1 25 25 LYS C C 13 176.109 0.003 . 1 . . . . 25 Lys C . 16839 1 332 . 1 1 25 25 LYS CA C 13 55.407 0.016 . 1 . . . . 25 Lys CA . 16839 1 333 . 1 1 25 25 LYS CB C 13 33.015 0.043 . 1 . . . . 25 Lys CB . 16839 1 334 . 1 1 25 25 LYS CD C 13 29.062 0.008 . 1 . . . . 25 Lys CD . 16839 1 335 . 1 1 25 25 LYS CE C 13 42.199 0.004 . 1 . . . . 25 Lys CE . 16839 1 336 . 1 1 25 25 LYS CG C 13 24.964 0.049 . 1 . . . . 25 Lys CG . 16839 1 337 . 1 1 25 25 LYS N N 15 117.296 0.022 . 1 . . . . 25 Lys N . 16839 1 338 . 1 1 26 26 VAL H H 1 7.211 0.006 . 1 . . . . 26 Val H . 16839 1 339 . 1 1 26 26 VAL HA H 1 3.665 0.008 . 1 . . . . 26 Val HA . 16839 1 340 . 1 1 26 26 VAL HB H 1 2.163 0.004 . 1 . . . . 26 Val HB . 16839 1 341 . 1 1 26 26 VAL HG11 H 1 0.682 0.005 . 2 . . . . 26 Val HG11 . 16839 1 342 . 1 1 26 26 VAL HG12 H 1 0.682 0.005 . 2 . . . . 26 Val HG12 . 16839 1 343 . 1 1 26 26 VAL HG13 H 1 0.682 0.005 . 2 . . . . 26 Val HG13 . 16839 1 344 . 1 1 26 26 VAL HG21 H 1 0.850 0.005 . 2 . . . . 26 Val HG21 . 16839 1 345 . 1 1 26 26 VAL HG22 H 1 0.850 0.005 . 2 . . . . 26 Val HG22 . 16839 1 346 . 1 1 26 26 VAL HG23 H 1 0.850 0.005 . 2 . . . . 26 Val HG23 . 16839 1 347 . 1 1 26 26 VAL C C 13 176.330 0.000 . 1 . . . . 26 Val C . 16839 1 348 . 1 1 26 26 VAL CA C 13 64.366 0.042 . 1 . . . . 26 Val CA . 16839 1 349 . 1 1 26 26 VAL CB C 13 31.984 0.050 . 1 . . . . 26 Val CB . 16839 1 350 . 1 1 26 26 VAL CG1 C 13 22.583 0.050 . 2 . . . . 26 Val CG1 . 16839 1 351 . 1 1 26 26 VAL CG2 C 13 23.966 0.043 . 2 . . . . 26 Val CG2 . 16839 1 352 . 1 1 26 26 VAL N N 15 120.911 0.028 . 1 . . . . 26 Val N . 16839 1 353 . 1 1 27 27 ILE H H 1 9.048 0.018 . 1 . . . . 27 Ile H . 16839 1 354 . 1 1 27 27 ILE HA H 1 4.244 0.007 . 1 . . . . 27 Ile HA . 16839 1 355 . 1 1 27 27 ILE HB H 1 1.815 0.006 . 1 . . . . 27 Ile HB . 16839 1 356 . 1 1 27 27 ILE HD11 H 1 0.733 0.003 . 1 . . . . 27 Ile HD11 . 16839 1 357 . 1 1 27 27 ILE HD12 H 1 0.733 0.003 . 1 . . . . 27 Ile HD12 . 16839 1 358 . 1 1 27 27 ILE HD13 H 1 0.733 0.003 . 1 . . . . 27 Ile HD13 . 16839 1 359 . 1 1 27 27 ILE HG12 H 1 1.056 0.002 . 2 . . . . 27 Ile HG12 . 16839 1 360 . 1 1 27 27 ILE HG13 H 1 1.478 0.005 . 2 . . . . 27 Ile HG13 . 16839 1 361 . 1 1 27 27 ILE HG21 H 1 0.881 0.007 . 1 . . . . 27 Ile HG21 . 16839 1 362 . 1 1 27 27 ILE HG22 H 1 0.881 0.007 . 1 . . . . 27 Ile HG22 . 16839 1 363 . 1 1 27 27 ILE HG23 H 1 0.881 0.007 . 1 . . . . 27 Ile HG23 . 16839 1 364 . 1 1 27 27 ILE C C 13 176.166 0.000 . 1 . . . . 27 Ile C . 16839 1 365 . 1 1 27 27 ILE CA C 13 62.218 0.053 . 1 . . . . 27 Ile CA . 16839 1 366 . 1 1 27 27 ILE CB C 13 39.429 0.044 . 1 . . . . 27 Ile CB . 16839 1 367 . 1 1 27 27 ILE CD1 C 13 13.020 0.102 . 1 . . . . 27 Ile CD1 . 16839 1 368 . 1 1 27 27 ILE CG1 C 13 27.277 0.054 . 1 . . . . 27 Ile CG1 . 16839 1 369 . 1 1 27 27 ILE CG2 C 13 17.811 0.038 . 1 . . . . 27 Ile CG2 . 16839 1 370 . 1 1 27 27 ILE N N 15 126.139 0.083 . 1 . . . . 27 Ile N . 16839 1 371 . 1 1 28 28 GLN H H 1 7.534 0.013 . 1 . . . . 28 Gln H . 16839 1 372 . 1 1 28 28 GLN HA H 1 4.669 0.007 . 1 . . . . 28 Gln HA . 16839 1 373 . 1 1 28 28 GLN HB2 H 1 1.840 0.008 . 2 . . . . 28 Gln HB2 . 16839 1 374 . 1 1 28 28 GLN HB3 H 1 2.040 0.010 . 2 . . . . 28 Gln HB3 . 16839 1 375 . 1 1 28 28 GLN HE21 H 1 6.662 0.007 . 1 . . . . 28 Gln HE21 . 16839 1 376 . 1 1 28 28 GLN HE22 H 1 7.417 0.005 . 1 . . . . 28 Gln HE22 . 16839 1 377 . 1 1 28 28 GLN HG2 H 1 2.160 0.008 . 2 . . . . 28 Gln HG2 . 16839 1 378 . 1 1 28 28 GLN HG3 H 1 2.287 0.006 . 2 . . . . 28 Gln HG3 . 16839 1 379 . 1 1 28 28 GLN C C 13 172.930 0.029 . 1 . . . . 28 Gln C . 16839 1 380 . 1 1 28 28 GLN CA C 13 55.309 0.060 . 1 . . . . 28 Gln CA . 16839 1 381 . 1 1 28 28 GLN CB C 13 32.569 0.039 . 1 . . . . 28 Gln CB . 16839 1 382 . 1 1 28 28 GLN CG C 13 33.638 0.033 . 1 . . . . 28 Gln CG . 16839 1 383 . 1 1 28 28 GLN N N 15 117.742 0.032 . 1 . . . . 28 Gln N . 16839 1 384 . 1 1 28 28 GLN NE2 N 15 110.798 0.040 . 1 . . . . 28 Gln NE2 . 16839 1 385 . 1 1 29 29 VAL H H 1 8.741 0.012 . 1 . . . . 29 Val H . 16839 1 386 . 1 1 29 29 VAL HA H 1 4.919 0.008 . 1 . . . . 29 Val HA . 16839 1 387 . 1 1 29 29 VAL HB H 1 1.777 0.006 . 1 . . . . 29 Val HB . 16839 1 388 . 1 1 29 29 VAL HG11 H 1 0.514 0.003 . 2 . . . . 29 Val HG11 . 16839 1 389 . 1 1 29 29 VAL HG12 H 1 0.514 0.003 . 2 . . . . 29 Val HG12 . 16839 1 390 . 1 1 29 29 VAL HG13 H 1 0.514 0.003 . 2 . . . . 29 Val HG13 . 16839 1 391 . 1 1 29 29 VAL HG21 H 1 0.737 0.006 . 2 . . . . 29 Val HG21 . 16839 1 392 . 1 1 29 29 VAL HG22 H 1 0.737 0.006 . 2 . . . . 29 Val HG22 . 16839 1 393 . 1 1 29 29 VAL HG23 H 1 0.737 0.006 . 2 . . . . 29 Val HG23 . 16839 1 394 . 1 1 29 29 VAL C C 13 174.283 0.015 . 1 . . . . 29 Val C . 16839 1 395 . 1 1 29 29 VAL CA C 13 61.000 0.026 . 1 . . . . 29 Val CA . 16839 1 396 . 1 1 29 29 VAL CB C 13 34.174 0.030 . 1 . . . . 29 Val CB . 16839 1 397 . 1 1 29 29 VAL CG1 C 13 21.613 0.047 . 2 . . . . 29 Val CG1 . 16839 1 398 . 1 1 29 29 VAL CG2 C 13 21.640 0.065 . 2 . . . . 29 Val CG2 . 16839 1 399 . 1 1 29 29 VAL N N 15 124.291 0.108 . 1 . . . . 29 Val N . 16839 1 400 . 1 1 30 30 GLU H H 1 9.052 0.017 . 1 . . . . 30 Glu H . 16839 1 401 . 1 1 30 30 GLU HA H 1 4.844 0.009 . 1 . . . . 30 Glu HA . 16839 1 402 . 1 1 30 30 GLU HB2 H 1 1.963 0.004 . 2 . . . . 30 Glu HB2 . 16839 1 403 . 1 1 30 30 GLU HB3 H 1 2.122 0.009 . 2 . . . . 30 Glu HB3 . 16839 1 404 . 1 1 30 30 GLU HG2 H 1 2.121 0.012 . 2 . . . . 30 Glu HG2 . 16839 1 405 . 1 1 30 30 GLU HG3 H 1 2.228 0.009 . 2 . . . . 30 Glu HG3 . 16839 1 406 . 1 1 30 30 GLU C C 13 173.934 0.005 . 1 . . . . 30 Glu C . 16839 1 407 . 1 1 30 30 GLU CA C 13 54.097 0.028 . 1 . . . . 30 Glu CA . 16839 1 408 . 1 1 30 30 GLU CB C 13 34.222 0.069 . 1 . . . . 30 Glu CB . 16839 1 409 . 1 1 30 30 GLU CG C 13 36.232 0.004 . 1 . . . . 30 Glu CG . 16839 1 410 . 1 1 30 30 GLU N N 15 126.096 0.054 . 1 . . . . 30 Glu N . 16839 1 411 . 1 1 31 31 LEU H H 1 8.854 0.006 . 1 . . . . 31 Leu H . 16839 1 412 . 1 1 31 31 LEU HA H 1 4.467 0.004 . 1 . . . . 31 Leu HA . 16839 1 413 . 1 1 31 31 LEU HB2 H 1 1.237 0.003 . 2 . . . . 31 Leu HB2 . 16839 1 414 . 1 1 31 31 LEU HB3 H 1 1.618 0.004 . 2 . . . . 31 Leu HB3 . 16839 1 415 . 1 1 31 31 LEU HD11 H 1 0.347 0.003 . 2 . . . . 31 Leu HD11 . 16839 1 416 . 1 1 31 31 LEU HD12 H 1 0.347 0.003 . 2 . . . . 31 Leu HD12 . 16839 1 417 . 1 1 31 31 LEU HD13 H 1 0.347 0.003 . 2 . . . . 31 Leu HD13 . 16839 1 418 . 1 1 31 31 LEU HD21 H 1 0.651 0.006 . 2 . . . . 31 Leu HD21 . 16839 1 419 . 1 1 31 31 LEU HD22 H 1 0.651 0.006 . 2 . . . . 31 Leu HD22 . 16839 1 420 . 1 1 31 31 LEU HD23 H 1 0.651 0.006 . 2 . . . . 31 Leu HD23 . 16839 1 421 . 1 1 31 31 LEU HG H 1 1.137 0.006 . 1 . . . . 31 Leu HG . 16839 1 422 . 1 1 31 31 LEU C C 13 175.438 0.006 . 1 . . . . 31 Leu C . 16839 1 423 . 1 1 31 31 LEU CA C 13 54.591 0.070 . 1 . . . . 31 Leu CA . 16839 1 424 . 1 1 31 31 LEU CB C 13 43.169 0.043 . 1 . . . . 31 Leu CB . 16839 1 425 . 1 1 31 31 LEU CD1 C 13 22.892 0.039 . 2 . . . . 31 Leu CD1 . 16839 1 426 . 1 1 31 31 LEU CD2 C 13 25.694 0.060 . 2 . . . . 31 Leu CD2 . 16839 1 427 . 1 1 31 31 LEU CG C 13 27.658 0.040 . 1 . . . . 31 Leu CG . 16839 1 428 . 1 1 31 31 LEU N N 15 126.057 0.032 . 1 . . . . 31 Leu N . 16839 1 429 . 1 1 32 32 GLN H H 1 8.836 0.007 . 1 . . . . 32 Gln H . 16839 1 430 . 1 1 32 32 GLN HA H 1 4.486 0.008 . 1 . . . . 32 Gln HA . 16839 1 431 . 1 1 32 32 GLN HB2 H 1 1.785 0.019 . 2 . . . . 32 Gln HB2 . 16839 1 432 . 1 1 32 32 GLN HB3 H 1 1.895 0.012 . 2 . . . . 32 Gln HB3 . 16839 1 433 . 1 1 32 32 GLN HE21 H 1 7.074 0.008 . 1 . . . . 32 Gln HE21 . 16839 1 434 . 1 1 32 32 GLN HE22 H 1 7.895 0.004 . 1 . . . . 32 Gln HE22 . 16839 1 435 . 1 1 32 32 GLN HG2 H 1 2.128 0.007 . 2 . . . . 32 Gln HG2 . 16839 1 436 . 1 1 32 32 GLN HG3 H 1 2.273 0.005 . 2 . . . . 32 Gln HG3 . 16839 1 437 . 1 1 32 32 GLN C C 13 174.200 0.008 . 1 . . . . 32 Gln C . 16839 1 438 . 1 1 32 32 GLN CA C 13 54.997 0.031 . 1 . . . . 32 Gln CA . 16839 1 439 . 1 1 32 32 GLN CB C 13 31.232 0.059 . 1 . . . . 32 Gln CB . 16839 1 440 . 1 1 32 32 GLN CG C 13 34.718 0.050 . 1 . . . . 32 Gln CG . 16839 1 441 . 1 1 32 32 GLN N N 15 128.018 0.033 . 1 . . . . 32 Gln N . 16839 1 442 . 1 1 32 32 GLN NE2 N 15 111.880 0.031 . 1 . . . . 32 Gln NE2 . 16839 1 443 . 1 1 33 33 GLU H H 1 8.448 0.006 . 1 . . . . 33 Glu H . 16839 1 444 . 1 1 33 33 GLU HA H 1 4.339 0.005 . 1 . . . . 33 Glu HA . 16839 1 445 . 1 1 33 33 GLU HB2 H 1 1.656 0.007 . 2 . . . . 33 Glu HB2 . 16839 1 446 . 1 1 33 33 GLU HB3 H 1 2.017 0.007 . 2 . . . . 33 Glu HB3 . 16839 1 447 . 1 1 33 33 GLU HG2 H 1 2.073 0.007 . 2 . . . . 33 Glu HG2 . 16839 1 448 . 1 1 33 33 GLU HG3 H 1 2.226 0.005 . 2 . . . . 33 Glu HG3 . 16839 1 449 . 1 1 33 33 GLU C C 13 177.204 0.024 . 1 . . . . 33 Glu C . 16839 1 450 . 1 1 33 33 GLU CA C 13 55.555 0.047 . 1 . . . . 33 Glu CA . 16839 1 451 . 1 1 33 33 GLU CB C 13 31.224 0.062 . 1 . . . . 33 Glu CB . 16839 1 452 . 1 1 33 33 GLU CG C 13 36.098 0.044 . 1 . . . . 33 Glu CG . 16839 1 453 . 1 1 33 33 GLU N N 15 124.089 0.047 . 1 . . . . 33 Glu N . 16839 1 454 . 1 1 34 34 ALA H H 1 8.781 0.004 . 1 . . . . 34 Ala H . 16839 1 455 . 1 1 34 34 ALA HA H 1 3.842 0.009 . 1 . . . . 34 Ala HA . 16839 1 456 . 1 1 34 34 ALA HB1 H 1 1.195 0.004 . 1 . . . . 34 Ala HB1 . 16839 1 457 . 1 1 34 34 ALA HB2 H 1 1.195 0.004 . 1 . . . . 34 Ala HB2 . 16839 1 458 . 1 1 34 34 ALA HB3 H 1 1.195 0.004 . 1 . . . . 34 Ala HB3 . 16839 1 459 . 1 1 34 34 ALA C C 13 177.016 0.000 . 1 . . . . 34 Ala C . 16839 1 460 . 1 1 34 34 ALA CA C 13 53.070 0.059 . 1 . . . . 34 Ala CA . 16839 1 461 . 1 1 34 34 ALA CB C 13 18.128 0.031 . 1 . . . . 34 Ala CB . 16839 1 462 . 1 1 34 34 ALA N N 15 124.203 0.038 . 1 . . . . 34 Ala N . 16839 1 463 . 1 1 35 35 ASP H H 1 8.013 0.006 . 1 . . . . 35 Asp H . 16839 1 464 . 1 1 35 35 ASP HA H 1 4.627 0.004 . 1 . . . . 35 Asp HA . 16839 1 465 . 1 1 35 35 ASP HB2 H 1 2.551 0.006 . 2 . . . . 35 Asp HB2 . 16839 1 466 . 1 1 35 35 ASP HB3 H 1 2.663 0.008 . 2 . . . . 35 Asp HB3 . 16839 1 467 . 1 1 35 35 ASP C C 13 176.448 0.022 . 1 . . . . 35 Asp C . 16839 1 468 . 1 1 35 35 ASP CA C 13 53.270 0.076 . 1 . . . . 35 Asp CA . 16839 1 469 . 1 1 35 35 ASP CB C 13 41.004 0.059 . 1 . . . . 35 Asp CB . 16839 1 470 . 1 1 35 35 ASP N N 15 116.826 0.063 . 1 . . . . 35 Asp N . 16839 1 471 . 1 1 36 36 GLY H H 1 7.575 0.011 . 1 . . . . 36 Gly H . 16839 1 472 . 1 1 36 36 GLY HA2 H 1 3.758 0.006 . 2 . . . . 36 Gly HA2 . 16839 1 473 . 1 1 36 36 GLY HA3 H 1 4.025 0.007 . 2 . . . . 36 Gly HA3 . 16839 1 474 . 1 1 36 36 GLY C C 13 174.707 0.055 . 1 . . . . 36 Gly C . 16839 1 475 . 1 1 36 36 GLY CA C 13 45.405 0.009 . 1 . . . . 36 Gly CA . 16839 1 476 . 1 1 36 36 GLY N N 15 108.285 0.043 . 1 . . . . 36 Gly N . 16839 1 477 . 1 1 37 37 ASP H H 1 8.505 0.006 . 1 . . . . 37 Asp H . 16839 1 478 . 1 1 37 37 ASP HA H 1 4.219 0.008 . 1 . . . . 37 Asp HA . 16839 1 479 . 1 1 37 37 ASP HB2 H 1 2.465 0.005 . 2 . . . . 37 Asp HB2 . 16839 1 480 . 1 1 37 37 ASP HB3 H 1 2.610 0.007 . 2 . . . . 37 Asp HB3 . 16839 1 481 . 1 1 37 37 ASP C C 13 176.497 0.006 . 1 . . . . 37 Asp C . 16839 1 482 . 1 1 37 37 ASP CA C 13 56.289 0.043 . 1 . . . . 37 Asp CA . 16839 1 483 . 1 1 37 37 ASP CB C 13 41.161 0.044 . 1 . . . . 37 Asp CB . 16839 1 484 . 1 1 37 37 ASP N N 15 120.304 0.040 . 1 . . . . 37 Asp N . 16839 1 485 . 1 1 38 38 CYS H H 1 8.437 0.006 . 1 . . . . 38 Cys H . 16839 1 486 . 1 1 38 38 CYS HA H 1 4.636 0.005 . 1 . . . . 38 Cys HA . 16839 1 487 . 1 1 38 38 CYS HB2 H 1 2.910 0.006 . 2 . . . . 38 Cys HB2 . 16839 1 488 . 1 1 38 38 CYS HB3 H 1 3.162 0.006 . 2 . . . . 38 Cys HB3 . 16839 1 489 . 1 1 38 38 CYS C C 13 175.431 0.003 . 1 . . . . 38 Cys C . 16839 1 490 . 1 1 38 38 CYS CA C 13 53.439 0.023 . 1 . . . . 38 Cys CA . 16839 1 491 . 1 1 38 38 CYS CB C 13 37.074 0.069 . 1 . . . . 38 Cys CB . 16839 1 492 . 1 1 38 38 CYS N N 15 115.677 0.032 . 1 . . . . 38 Cys N . 16839 1 493 . 1 1 39 39 HIS H H 1 7.987 0.009 . 1 . . . . 39 His H . 16839 1 494 . 1 1 39 39 HIS HA H 1 4.627 0.009 . 1 . . . . 39 His HA . 16839 1 495 . 1 1 39 39 HIS HB2 H 1 3.112 0.010 . 2 . . . . 39 His HB2 . 16839 1 496 . 1 1 39 39 HIS HB3 H 1 3.338 0.011 . 2 . . . . 39 His HB3 . 16839 1 497 . 1 1 39 39 HIS HD2 H 1 7.100 0.005 . 1 . . . . 39 His HD2 . 16839 1 498 . 1 1 39 39 HIS C C 13 173.423 0.000 . 1 . . . . 39 His C . 16839 1 499 . 1 1 39 39 HIS CA C 13 56.311 0.071 . 1 . . . . 39 His CA . 16839 1 500 . 1 1 39 39 HIS CB C 13 28.103 0.096 . 1 . . . . 39 His CB . 16839 1 501 . 1 1 39 39 HIS CD2 C 13 120.298 0.008 . 1 . . . . 39 His CD2 . 16839 1 502 . 1 1 39 39 HIS N N 15 114.600 0.057 . 1 . . . . 39 His N . 16839 1 503 . 1 1 40 40 LEU H H 1 7.021 0.012 . 1 . . . . 40 Leu H . 16839 1 504 . 1 1 40 40 LEU HA H 1 4.416 0.007 . 1 . . . . 40 Leu HA . 16839 1 505 . 1 1 40 40 LEU HB2 H 1 1.206 0.004 . 2 . . . . 40 Leu HB2 . 16839 1 506 . 1 1 40 40 LEU HB3 H 1 1.405 0.005 . 2 . . . . 40 Leu HB3 . 16839 1 507 . 1 1 40 40 LEU HD11 H 1 0.727 0.000 . 2 . . . . 40 Leu HD11 . 16839 1 508 . 1 1 40 40 LEU HD12 H 1 0.727 0.000 . 2 . . . . 40 Leu HD12 . 16839 1 509 . 1 1 40 40 LEU HD13 H 1 0.727 0.000 . 2 . . . . 40 Leu HD13 . 16839 1 510 . 1 1 40 40 LEU HD21 H 1 0.786 0.001 . 2 . . . . 40 Leu HD21 . 16839 1 511 . 1 1 40 40 LEU HD22 H 1 0.786 0.001 . 2 . . . . 40 Leu HD22 . 16839 1 512 . 1 1 40 40 LEU HD23 H 1 0.786 0.001 . 2 . . . . 40 Leu HD23 . 16839 1 513 . 1 1 40 40 LEU HG H 1 1.271 0.002 . 1 . . . . 40 Leu HG . 16839 1 514 . 1 1 40 40 LEU C C 13 174.458 0.034 . 1 . . . . 40 Leu C . 16839 1 515 . 1 1 40 40 LEU CA C 13 54.260 0.063 . 1 . . . . 40 Leu CA . 16839 1 516 . 1 1 40 40 LEU CB C 13 44.659 0.084 . 1 . . . . 40 Leu CB . 16839 1 517 . 1 1 40 40 LEU CD1 C 13 24.919 0.002 . 2 . . . . 40 Leu CD1 . 16839 1 518 . 1 1 40 40 LEU CD2 C 13 24.494 0.029 . 2 . . . . 40 Leu CD2 . 16839 1 519 . 1 1 40 40 LEU CG C 13 26.660 0.017 . 1 . . . . 40 Leu CG . 16839 1 520 . 1 1 40 40 LEU N N 15 118.467 0.049 . 1 . . . . 40 Leu N . 16839 1 521 . 1 1 41 41 GLN H H 1 8.459 0.010 . 1 . . . . 41 Gln H . 16839 1 522 . 1 1 41 41 GLN HA H 1 4.634 0.008 . 1 . . . . 41 Gln HA . 16839 1 523 . 1 1 41 41 GLN HB2 H 1 1.795 0.011 . 1 . . . . 41 Gln HB2 . 16839 1 524 . 1 1 41 41 GLN HB3 H 1 1.795 0.011 . 1 . . . . 41 Gln HB3 . 16839 1 525 . 1 1 41 41 GLN HE21 H 1 6.963 0.002 . 1 . . . . 41 Gln HE21 . 16839 1 526 . 1 1 41 41 GLN HE22 H 1 7.668 0.006 . 1 . . . . 41 Gln HE22 . 16839 1 527 . 1 1 41 41 GLN HG2 H 1 1.871 0.010 . 2 . . . . 41 Gln HG2 . 16839 1 528 . 1 1 41 41 GLN HG3 H 1 2.300 0.009 . 2 . . . . 41 Gln HG3 . 16839 1 529 . 1 1 41 41 GLN C C 13 174.759 0.000 . 1 . . . . 41 Gln C . 16839 1 530 . 1 1 41 41 GLN CA C 13 55.013 0.019 . 1 . . . . 41 Gln CA . 16839 1 531 . 1 1 41 41 GLN CB C 13 29.278 0.083 . 1 . . . . 41 Gln CB . 16839 1 532 . 1 1 41 41 GLN CG C 13 34.191 0.034 . 1 . . . . 41 Gln CG . 16839 1 533 . 1 1 41 41 GLN N N 15 125.934 0.075 . 1 . . . . 41 Gln N . 16839 1 534 . 1 1 41 41 GLN NE2 N 15 113.126 0.013 . 1 . . . . 41 Gln NE2 . 16839 1 535 . 1 1 42 42 ALA H H 1 8.694 0.007 . 1 . . . . 42 Ala H . 16839 1 536 . 1 1 42 42 ALA HA H 1 4.377 0.009 . 1 . . . . 42 Ala HA . 16839 1 537 . 1 1 42 42 ALA HB1 H 1 1.069 0.004 . 1 . . . . 42 Ala HB1 . 16839 1 538 . 1 1 42 42 ALA HB2 H 1 1.069 0.004 . 1 . . . . 42 Ala HB2 . 16839 1 539 . 1 1 42 42 ALA HB3 H 1 1.069 0.004 . 1 . . . . 42 Ala HB3 . 16839 1 540 . 1 1 42 42 ALA C C 13 175.310 0.009 . 1 . . . . 42 Ala C . 16839 1 541 . 1 1 42 42 ALA CA C 13 51.633 0.044 . 1 . . . . 42 Ala CA . 16839 1 542 . 1 1 42 42 ALA CB C 13 23.942 0.054 . 1 . . . . 42 Ala CB . 16839 1 543 . 1 1 42 42 ALA N N 15 125.317 0.023 . 1 . . . . 42 Ala N . 16839 1 544 . 1 1 43 43 PHE H H 1 8.378 0.006 . 1 . . . . 43 Phe H . 16839 1 545 . 1 1 43 43 PHE HA H 1 5.118 0.007 . 1 . . . . 43 Phe HA . 16839 1 546 . 1 1 43 43 PHE HB2 H 1 2.603 0.005 . 1 . . . . 43 Phe HB2 . 16839 1 547 . 1 1 43 43 PHE HB3 H 1 2.603 0.005 . 1 . . . . 43 Phe HB3 . 16839 1 548 . 1 1 43 43 PHE HD1 H 1 6.878 0.004 . 3 . . . . 43 Phe HD1 . 16839 1 549 . 1 1 43 43 PHE HD2 H 1 6.878 0.004 . 3 . . . . 43 Phe HD2 . 16839 1 550 . 1 1 43 43 PHE HE1 H 1 7.174 0.002 . 3 . . . . 43 Phe HE1 . 16839 1 551 . 1 1 43 43 PHE HE2 H 1 7.174 0.002 . 3 . . . . 43 Phe HE2 . 16839 1 552 . 1 1 43 43 PHE HZ H 1 7.073 0.003 . 1 . . . . 43 Phe HZ . 16839 1 553 . 1 1 43 43 PHE C C 13 174.303 0.031 . 1 . . . . 43 Phe C . 16839 1 554 . 1 1 43 43 PHE CA C 13 57.554 0.049 . 1 . . . . 43 Phe CA . 16839 1 555 . 1 1 43 43 PHE CB C 13 41.551 0.053 . 1 . . . . 43 Phe CB . 16839 1 556 . 1 1 43 43 PHE CD1 C 13 131.312 0.048 . 3 . . . . 43 Phe CD1 . 16839 1 557 . 1 1 43 43 PHE CD2 C 13 131.312 0.048 . 3 . . . . 43 Phe CD2 . 16839 1 558 . 1 1 43 43 PHE CE1 C 13 131.398 0.032 . 3 . . . . 43 Phe CE1 . 16839 1 559 . 1 1 43 43 PHE CE2 C 13 131.398 0.032 . 3 . . . . 43 Phe CE2 . 16839 1 560 . 1 1 43 43 PHE CZ C 13 129.723 0.019 . 1 . . . . 43 Phe CZ . 16839 1 561 . 1 1 43 43 PHE N N 15 117.399 0.035 . 1 . . . . 43 Phe N . 16839 1 562 . 1 1 44 44 VAL H H 1 9.540 0.006 . 1 . . . . 44 Val H . 16839 1 563 . 1 1 44 44 VAL HA H 1 4.508 0.004 . 1 . . . . 44 Val HA . 16839 1 564 . 1 1 44 44 VAL HB H 1 1.929 0.012 . 1 . . . . 44 Val HB . 16839 1 565 . 1 1 44 44 VAL HG11 H 1 0.399 0.009 . 2 . . . . 44 Val HG11 . 16839 1 566 . 1 1 44 44 VAL HG12 H 1 0.399 0.009 . 2 . . . . 44 Val HG12 . 16839 1 567 . 1 1 44 44 VAL HG13 H 1 0.399 0.009 . 2 . . . . 44 Val HG13 . 16839 1 568 . 1 1 44 44 VAL HG21 H 1 0.771 0.006 . 2 . . . . 44 Val HG21 . 16839 1 569 . 1 1 44 44 VAL HG22 H 1 0.771 0.006 . 2 . . . . 44 Val HG22 . 16839 1 570 . 1 1 44 44 VAL HG23 H 1 0.771 0.006 . 2 . . . . 44 Val HG23 . 16839 1 571 . 1 1 44 44 VAL C C 13 175.320 0.011 . 1 . . . . 44 Val C . 16839 1 572 . 1 1 44 44 VAL CA C 13 61.418 0.044 . 1 . . . . 44 Val CA . 16839 1 573 . 1 1 44 44 VAL CB C 13 32.792 0.087 . 1 . . . . 44 Val CB . 16839 1 574 . 1 1 44 44 VAL CG1 C 13 21.399 0.042 . 2 . . . . 44 Val CG1 . 16839 1 575 . 1 1 44 44 VAL CG2 C 13 20.668 0.044 . 2 . . . . 44 Val CG2 . 16839 1 576 . 1 1 44 44 VAL N N 15 123.936 0.040 . 1 . . . . 44 Val N . 16839 1 577 . 1 1 45 45 LEU H H 1 9.071 0.009 . 1 . . . . 45 Leu H . 16839 1 578 . 1 1 45 45 LEU HA H 1 4.563 0.006 . 1 . . . . 45 Leu HA . 16839 1 579 . 1 1 45 45 LEU HB2 H 1 1.287 0.007 . 2 . . . . 45 Leu HB2 . 16839 1 580 . 1 1 45 45 LEU HB3 H 1 1.624 0.008 . 2 . . . . 45 Leu HB3 . 16839 1 581 . 1 1 45 45 LEU HD11 H 1 0.587 0.007 . 2 . . . . 45 Leu HD11 . 16839 1 582 . 1 1 45 45 LEU HD12 H 1 0.587 0.007 . 2 . . . . 45 Leu HD12 . 16839 1 583 . 1 1 45 45 LEU HD13 H 1 0.587 0.007 . 2 . . . . 45 Leu HD13 . 16839 1 584 . 1 1 45 45 LEU HD21 H 1 0.599 0.006 . 2 . . . . 45 Leu HD21 . 16839 1 585 . 1 1 45 45 LEU HD22 H 1 0.599 0.006 . 2 . . . . 45 Leu HD22 . 16839 1 586 . 1 1 45 45 LEU HD23 H 1 0.599 0.006 . 2 . . . . 45 Leu HD23 . 16839 1 587 . 1 1 45 45 LEU HG H 1 1.594 0.005 . 1 . . . . 45 Leu HG . 16839 1 588 . 1 1 45 45 LEU C C 13 175.662 0.035 . 1 . . . . 45 Leu C . 16839 1 589 . 1 1 45 45 LEU CA C 13 53.596 0.027 . 1 . . . . 45 Leu CA . 16839 1 590 . 1 1 45 45 LEU CB C 13 41.566 0.049 . 1 . . . . 45 Leu CB . 16839 1 591 . 1 1 45 45 LEU CD1 C 13 24.131 0.107 . 2 . . . . 45 Leu CD1 . 16839 1 592 . 1 1 45 45 LEU CD2 C 13 25.073 0.042 . 2 . . . . 45 Leu CD2 . 16839 1 593 . 1 1 45 45 LEU CG C 13 27.725 0.047 . 1 . . . . 45 Leu CG . 16839 1 594 . 1 1 45 45 LEU N N 15 126.995 0.038 . 1 . . . . 45 Leu N . 16839 1 595 . 1 1 46 46 HIS H H 1 8.913 0.008 . 1 . . . . 46 His H . 16839 1 596 . 1 1 46 46 HIS HA H 1 4.820 0.011 . 1 . . . . 46 His HA . 16839 1 597 . 1 1 46 46 HIS HB2 H 1 3.035 0.015 . 2 . . . . 46 His HB2 . 16839 1 598 . 1 1 46 46 HIS HB3 H 1 3.166 0.018 . 2 . . . . 46 His HB3 . 16839 1 599 . 1 1 46 46 HIS C C 13 174.314 0.012 . 1 . . . . 46 His C . 16839 1 600 . 1 1 46 46 HIS CA C 13 56.219 0.039 . 1 . . . . 46 His CA . 16839 1 601 . 1 1 46 46 HIS CB C 13 30.112 0.093 . 1 . . . . 46 His CB . 16839 1 602 . 1 1 46 46 HIS N N 15 121.897 0.117 . 1 . . . . 46 His N . 16839 1 603 . 1 1 47 47 LEU H H 1 8.740 0.010 . 1 . . . . 47 Leu H . 16839 1 604 . 1 1 47 47 LEU HA H 1 4.828 0.007 . 1 . . . . 47 Leu HA . 16839 1 605 . 1 1 47 47 LEU HB2 H 1 1.730 0.010 . 2 . . . . 47 Leu HB2 . 16839 1 606 . 1 1 47 47 LEU HB3 H 1 1.895 0.007 . 2 . . . . 47 Leu HB3 . 16839 1 607 . 1 1 47 47 LEU HD11 H 1 0.707 0.007 . 1 . . . . 47 Leu HD11 . 16839 1 608 . 1 1 47 47 LEU HD12 H 1 0.707 0.007 . 1 . . . . 47 Leu HD12 . 16839 1 609 . 1 1 47 47 LEU HD13 H 1 0.707 0.007 . 1 . . . . 47 Leu HD13 . 16839 1 610 . 1 1 47 47 LEU HD21 H 1 0.707 0.007 . 1 . . . . 47 Leu HD21 . 16839 1 611 . 1 1 47 47 LEU HD22 H 1 0.707 0.007 . 1 . . . . 47 Leu HD22 . 16839 1 612 . 1 1 47 47 LEU HD23 H 1 0.707 0.007 . 1 . . . . 47 Leu HD23 . 16839 1 613 . 1 1 47 47 LEU HG H 1 1.529 0.009 . 1 . . . . 47 Leu HG . 16839 1 614 . 1 1 47 47 LEU C C 13 176.304 0.005 . 1 . . . . 47 Leu C . 16839 1 615 . 1 1 47 47 LEU CA C 13 54.426 0.034 . 1 . . . . 47 Leu CA . 16839 1 616 . 1 1 47 47 LEU CB C 13 42.839 0.045 . 1 . . . . 47 Leu CB . 16839 1 617 . 1 1 47 47 LEU CD1 C 13 25.923 0.073 . 1 . . . . 47 Leu CD1 . 16839 1 618 . 1 1 47 47 LEU CD2 C 13 25.923 0.073 . 1 . . . . 47 Leu CD2 . 16839 1 619 . 1 1 47 47 LEU CG C 13 29.041 0.071 . 1 . . . . 47 Leu CG . 16839 1 620 . 1 1 47 47 LEU N N 15 126.145 0.052 . 1 . . . . 47 Leu N . 16839 1 621 . 1 1 48 48 ALA H H 1 8.833 0.009 . 1 . . . . 48 Ala H . 16839 1 622 . 1 1 48 48 ALA HA H 1 3.995 0.005 . 1 . . . . 48 Ala HA . 16839 1 623 . 1 1 48 48 ALA HB1 H 1 1.421 0.005 . 1 . . . . 48 Ala HB1 . 16839 1 624 . 1 1 48 48 ALA HB2 H 1 1.421 0.005 . 1 . . . . 48 Ala HB2 . 16839 1 625 . 1 1 48 48 ALA HB3 H 1 1.421 0.005 . 1 . . . . 48 Ala HB3 . 16839 1 626 . 1 1 48 48 ALA C C 13 179.280 0.016 . 1 . . . . 48 Ala C . 16839 1 627 . 1 1 48 48 ALA CA C 13 55.971 0.047 . 1 . . . . 48 Ala CA . 16839 1 628 . 1 1 48 48 ALA CB C 13 18.044 0.037 . 1 . . . . 48 Ala CB . 16839 1 629 . 1 1 48 48 ALA N N 15 122.403 0.036 . 1 . . . . 48 Ala N . 16839 1 630 . 1 1 49 49 GLN H H 1 8.411 0.005 . 1 . . . . 49 Gln H . 16839 1 631 . 1 1 49 49 GLN HA H 1 4.454 0.006 . 1 . . . . 49 Gln HA . 16839 1 632 . 1 1 49 49 GLN HB2 H 1 1.928 0.007 . 2 . . . . 49 Gln HB2 . 16839 1 633 . 1 1 49 49 GLN HB3 H 1 2.231 0.013 . 2 . . . . 49 Gln HB3 . 16839 1 634 . 1 1 49 49 GLN HE21 H 1 6.799 0.004 . 1 . . . . 49 Gln HE21 . 16839 1 635 . 1 1 49 49 GLN HE22 H 1 7.520 0.004 . 1 . . . . 49 Gln HE22 . 16839 1 636 . 1 1 49 49 GLN HG2 H 1 2.274 0.007 . 1 . . . . 49 Gln HG2 . 16839 1 637 . 1 1 49 49 GLN HG3 H 1 2.274 0.007 . 1 . . . . 49 Gln HG3 . 16839 1 638 . 1 1 49 49 GLN C C 13 175.182 0.012 . 1 . . . . 49 Gln C . 16839 1 639 . 1 1 49 49 GLN CA C 13 55.678 0.032 . 1 . . . . 49 Gln CA . 16839 1 640 . 1 1 49 49 GLN CB C 13 30.058 0.065 . 1 . . . . 49 Gln CB . 16839 1 641 . 1 1 49 49 GLN CD C 13 180.780 0.000 . 1 . . . . 49 Gln CD . 16839 1 642 . 1 1 49 49 GLN CG C 13 34.228 0.041 . 1 . . . . 49 Gln CG . 16839 1 643 . 1 1 49 49 GLN N N 15 111.462 0.024 . 1 . . . . 49 Gln N . 16839 1 644 . 1 1 49 49 GLN NE2 N 15 112.168 0.022 . 1 . . . . 49 Gln NE2 . 16839 1 645 . 1 1 50 50 ARG H H 1 7.245 0.007 . 1 . . . . 50 Arg H . 16839 1 646 . 1 1 50 50 ARG HA H 1 4.630 0.007 . 1 . . . . 50 Arg HA . 16839 1 647 . 1 1 50 50 ARG HB2 H 1 1.812 0.010 . 2 . . . . 50 Arg HB2 . 16839 1 648 . 1 1 50 50 ARG HB3 H 1 1.871 0.004 . 2 . . . . 50 Arg HB3 . 16839 1 649 . 1 1 50 50 ARG HD2 H 1 3.034 0.006 . 2 . . . . 50 Arg HD2 . 16839 1 650 . 1 1 50 50 ARG HD3 H 1 3.068 0.009 . 2 . . . . 50 Arg HD3 . 16839 1 651 . 1 1 50 50 ARG HE H 1 7.091 0.010 . 1 . . . . 50 Arg HE . 16839 1 652 . 1 1 50 50 ARG HG2 H 1 1.253 0.009 . 2 . . . . 50 Arg HG2 . 16839 1 653 . 1 1 50 50 ARG HG3 H 1 1.476 0.008 . 2 . . . . 50 Arg HG3 . 16839 1 654 . 1 1 50 50 ARG C C 13 173.323 0.012 . 1 . . . . 50 Arg C . 16839 1 655 . 1 1 50 50 ARG CA C 13 55.314 0.019 . 1 . . . . 50 Arg CA . 16839 1 656 . 1 1 50 50 ARG CB C 13 32.486 0.045 . 1 . . . . 50 Arg CB . 16839 1 657 . 1 1 50 50 ARG CD C 13 43.566 0.024 . 1 . . . . 50 Arg CD . 16839 1 658 . 1 1 50 50 ARG CG C 13 26.193 0.064 . 1 . . . . 50 Arg CG . 16839 1 659 . 1 1 50 50 ARG N N 15 115.629 0.029 . 1 . . . . 50 Arg N . 16839 1 660 . 1 1 50 50 ARG NE N 15 108.544 0.034 . 1 . . . . 50 Arg NE . 16839 1 661 . 1 1 51 51 SER H H 1 8.533 0.005 . 1 . . . . 51 Ser H . 16839 1 662 . 1 1 51 51 SER HA H 1 5.431 0.006 . 1 . . . . 51 Ser HA . 16839 1 663 . 1 1 51 51 SER HB2 H 1 3.389 0.010 . 2 . . . . 51 Ser HB2 . 16839 1 664 . 1 1 51 51 SER HB3 H 1 3.423 0.013 . 2 . . . . 51 Ser HB3 . 16839 1 665 . 1 1 51 51 SER C C 13 173.276 0.066 . 1 . . . . 51 Ser C . 16839 1 666 . 1 1 51 51 SER CA C 13 57.221 0.038 . 1 . . . . 51 Ser CA . 16839 1 667 . 1 1 51 51 SER CB C 13 65.274 0.057 . 1 . . . . 51 Ser CB . 16839 1 668 . 1 1 51 51 SER N N 15 115.871 0.032 . 1 . . . . 51 Ser N . 16839 1 669 . 1 1 52 52 ILE H H 1 8.742 0.017 . 1 . . . . 52 Ile H . 16839 1 670 . 1 1 52 52 ILE HA H 1 4.465 0.006 . 1 . . . . 52 Ile HA . 16839 1 671 . 1 1 52 52 ILE HB H 1 1.498 0.004 . 1 . . . . 52 Ile HB . 16839 1 672 . 1 1 52 52 ILE HD11 H 1 0.477 0.004 . 1 . . . . 52 Ile HD11 . 16839 1 673 . 1 1 52 52 ILE HD12 H 1 0.477 0.004 . 1 . . . . 52 Ile HD12 . 16839 1 674 . 1 1 52 52 ILE HD13 H 1 0.477 0.004 . 1 . . . . 52 Ile HD13 . 16839 1 675 . 1 1 52 52 ILE HG12 H 1 0.824 0.009 . 2 . . . . 52 Ile HG12 . 16839 1 676 . 1 1 52 52 ILE HG13 H 1 1.262 0.005 . 2 . . . . 52 Ile HG13 . 16839 1 677 . 1 1 52 52 ILE HG21 H 1 0.644 0.004 . 1 . . . . 52 Ile HG21 . 16839 1 678 . 1 1 52 52 ILE HG22 H 1 0.644 0.004 . 1 . . . . 52 Ile HG22 . 16839 1 679 . 1 1 52 52 ILE HG23 H 1 0.644 0.004 . 1 . . . . 52 Ile HG23 . 16839 1 680 . 1 1 52 52 ILE C C 13 174.559 0.019 . 1 . . . . 52 Ile C . 16839 1 681 . 1 1 52 52 ILE CA C 13 60.254 0.059 . 1 . . . . 52 Ile CA . 16839 1 682 . 1 1 52 52 ILE CB C 13 41.873 0.047 . 1 . . . . 52 Ile CB . 16839 1 683 . 1 1 52 52 ILE CD1 C 13 13.917 0.048 . 1 . . . . 52 Ile CD1 . 16839 1 684 . 1 1 52 52 ILE CG1 C 13 26.784 0.041 . 1 . . . . 52 Ile CG1 . 16839 1 685 . 1 1 52 52 ILE CG2 C 13 17.627 0.056 . 1 . . . . 52 Ile CG2 . 16839 1 686 . 1 1 52 52 ILE N N 15 119.943 0.043 . 1 . . . . 52 Ile N . 16839 1 687 . 1 1 53 53 CYS H H 1 8.890 0.005 . 1 . . . . 53 Cys H . 16839 1 688 . 1 1 53 53 CYS HA H 1 5.082 0.012 . 1 . . . . 53 Cys HA . 16839 1 689 . 1 1 53 53 CYS HB2 H 1 2.657 0.007 . 2 . . . . 53 Cys HB2 . 16839 1 690 . 1 1 53 53 CYS HB3 H 1 3.637 0.016 . 2 . . . . 53 Cys HB3 . 16839 1 691 . 1 1 53 53 CYS C C 13 173.861 0.000 . 1 . . . . 53 Cys C . 16839 1 692 . 1 1 53 53 CYS CA C 13 55.977 0.033 . 1 . . . . 53 Cys CA . 16839 1 693 . 1 1 53 53 CYS CB C 13 44.491 0.061 . 1 . . . . 53 Cys CB . 16839 1 694 . 1 1 53 53 CYS N N 15 124.715 0.048 . 1 . . . . 53 Cys N . 16839 1 695 . 1 1 54 54 ILE H H 1 9.766 0.012 . 1 . . . . 54 Ile H . 16839 1 696 . 1 1 54 54 ILE HA H 1 4.802 0.008 . 1 . . . . 54 Ile HA . 16839 1 697 . 1 1 54 54 ILE HB H 1 2.220 0.006 . 1 . . . . 54 Ile HB . 16839 1 698 . 1 1 54 54 ILE HD11 H 1 0.783 0.003 . 1 . . . . 54 Ile HD11 . 16839 1 699 . 1 1 54 54 ILE HD12 H 1 0.783 0.003 . 1 . . . . 54 Ile HD12 . 16839 1 700 . 1 1 54 54 ILE HD13 H 1 0.783 0.003 . 1 . . . . 54 Ile HD13 . 16839 1 701 . 1 1 54 54 ILE HG12 H 1 1.268 0.003 . 1 . . . . 54 Ile HG12 . 16839 1 702 . 1 1 54 54 ILE HG13 H 1 1.267 0.003 . 1 . . . . 54 Ile HG13 . 16839 1 703 . 1 1 54 54 ILE HG21 H 1 1.229 0.007 . 1 . . . . 54 Ile HG21 . 16839 1 704 . 1 1 54 54 ILE HG22 H 1 1.229 0.007 . 1 . . . . 54 Ile HG22 . 16839 1 705 . 1 1 54 54 ILE HG23 H 1 1.229 0.007 . 1 . . . . 54 Ile HG23 . 16839 1 706 . 1 1 54 54 ILE C C 13 174.674 0.000 . 1 . . . . 54 Ile C . 16839 1 707 . 1 1 54 54 ILE CA C 13 58.156 0.041 . 1 . . . . 54 Ile CA . 16839 1 708 . 1 1 54 54 ILE CB C 13 38.976 0.048 . 1 . . . . 54 Ile CB . 16839 1 709 . 1 1 54 54 ILE CD1 C 13 11.813 0.030 . 1 . . . . 54 Ile CD1 . 16839 1 710 . 1 1 54 54 ILE CG1 C 13 27.522 0.085 . 1 . . . . 54 Ile CG1 . 16839 1 711 . 1 1 54 54 ILE CG2 C 13 18.789 0.044 . 1 . . . . 54 Ile CG2 . 16839 1 712 . 1 1 54 54 ILE N N 15 124.204 0.036 . 1 . . . . 54 Ile N . 16839 1 713 . 1 1 55 55 HIS H H 1 8.397 0.007 . 1 . . . . 55 His H . 16839 1 714 . 1 1 55 55 HIS HA H 1 4.340 0.004 . 1 . . . . 55 His HA . 16839 1 715 . 1 1 55 55 HIS HB2 H 1 2.709 0.011 . 2 . . . . 55 His HB2 . 16839 1 716 . 1 1 55 55 HIS HB3 H 1 2.845 0.010 . 2 . . . . 55 His HB3 . 16839 1 717 . 1 1 55 55 HIS HD2 H 1 7.080 0.003 . 1 . . . . 55 His HD2 . 16839 1 718 . 1 1 55 55 HIS HE1 H 1 7.765 0.003 . 1 . . . . 55 His HE1 . 16839 1 719 . 1 1 55 55 HIS CA C 13 56.628 0.051 . 1 . . . . 55 His CA . 16839 1 720 . 1 1 55 55 HIS CB C 13 32.868 0.101 . 1 . . . . 55 His CB . 16839 1 721 . 1 1 55 55 HIS CD2 C 13 118.297 0.036 . 1 . . . . 55 His CD2 . 16839 1 722 . 1 1 55 55 HIS CE1 C 13 139.355 0.012 . 1 . . . . 55 His CE1 . 16839 1 723 . 1 1 55 55 HIS N N 15 127.325 0.034 . 1 . . . . 55 His N . 16839 1 724 . 1 1 56 56 PRO HA H 1 4.328 0.006 . 1 . . . . 56 Pro HA . 16839 1 725 . 1 1 56 56 PRO HB2 H 1 1.846 0.004 . 2 . . . . 56 Pro HB2 . 16839 1 726 . 1 1 56 56 PRO HB3 H 1 2.059 0.004 . 2 . . . . 56 Pro HB3 . 16839 1 727 . 1 1 56 56 PRO HD2 H 1 2.323 0.007 . 2 . . . . 56 Pro HD2 . 16839 1 728 . 1 1 56 56 PRO HD3 H 1 3.656 0.005 . 2 . . . . 56 Pro HD3 . 16839 1 729 . 1 1 56 56 PRO HG2 H 1 1.376 0.004 . 2 . . . . 56 Pro HG2 . 16839 1 730 . 1 1 56 56 PRO HG3 H 1 1.686 0.005 . 2 . . . . 56 Pro HG3 . 16839 1 731 . 1 1 56 56 PRO C C 13 176.708 0.000 . 1 . . . . 56 Pro C . 16839 1 732 . 1 1 56 56 PRO CA C 13 65.299 0.043 . 1 . . . . 56 Pro CA . 16839 1 733 . 1 1 56 56 PRO CB C 13 32.607 0.055 . 1 . . . . 56 Pro CB . 16839 1 734 . 1 1 56 56 PRO CD C 13 50.938 0.060 . 1 . . . . 56 Pro CD . 16839 1 735 . 1 1 56 56 PRO CG C 13 28.212 0.029 . 1 . . . . 56 Pro CG . 16839 1 736 . 1 1 57 57 GLN H H 1 10.603 0.007 . 1 . . . . 57 Gln H . 16839 1 737 . 1 1 57 57 GLN HA H 1 4.501 0.005 . 1 . . . . 57 Gln HA . 16839 1 738 . 1 1 57 57 GLN HB2 H 1 1.962 0.007 . 2 . . . . 57 Gln HB2 . 16839 1 739 . 1 1 57 57 GLN HB3 H 1 2.394 0.005 . 2 . . . . 57 Gln HB3 . 16839 1 740 . 1 1 57 57 GLN HE21 H 1 6.850 0.003 . 1 . . . . 57 Gln HE21 . 16839 1 741 . 1 1 57 57 GLN HE22 H 1 7.552 0.004 . 1 . . . . 57 Gln HE22 . 16839 1 742 . 1 1 57 57 GLN HG2 H 1 2.393 0.006 . 1 . . . . 57 Gln HG2 . 16839 1 743 . 1 1 57 57 GLN HG3 H 1 2.393 0.006 . 1 . . . . 57 Gln HG3 . 16839 1 744 . 1 1 57 57 GLN C C 13 176.417 0.041 . 1 . . . . 57 Gln C . 16839 1 745 . 1 1 57 57 GLN CA C 13 54.960 0.033 . 1 . . . . 57 Gln CA . 16839 1 746 . 1 1 57 57 GLN CB C 13 28.202 0.053 . 1 . . . . 57 Gln CB . 16839 1 747 . 1 1 57 57 GLN CD C 13 180.402 0.014 . 1 . . . . 57 Gln CD . 16839 1 748 . 1 1 57 57 GLN CG C 13 34.906 0.050 . 1 . . . . 57 Gln CG . 16839 1 749 . 1 1 57 57 GLN N N 15 117.094 0.039 . 1 . . . . 57 Gln N . 16839 1 750 . 1 1 57 57 GLN NE2 N 15 112.541 0.016 . 1 . . . . 57 Gln NE2 . 16839 1 751 . 1 1 58 58 ASN H H 1 8.264 0.007 . 1 . . . . 58 Asn H . 16839 1 752 . 1 1 58 58 ASN HA H 1 4.699 0.013 . 1 . . . . 58 Asn HA . 16839 1 753 . 1 1 58 58 ASN HB2 H 1 2.806 0.005 . 2 . . . . 58 Asn HB2 . 16839 1 754 . 1 1 58 58 ASN HB3 H 1 3.053 0.005 . 2 . . . . 58 Asn HB3 . 16839 1 755 . 1 1 58 58 ASN HD21 H 1 7.117 0.010 . 1 . . . . 58 Asn HD21 . 16839 1 756 . 1 1 58 58 ASN HD22 H 1 7.371 0.003 . 1 . . . . 58 Asn HD22 . 16839 1 757 . 1 1 58 58 ASN CA C 13 52.770 0.001 . 1 . . . . 58 Asn CA . 16839 1 758 . 1 1 58 58 ASN CB C 13 40.779 0.032 . 1 . . . . 58 Asn CB . 16839 1 759 . 1 1 58 58 ASN N N 15 122.568 0.042 . 1 . . . . 58 Asn N . 16839 1 760 . 1 1 58 58 ASN ND2 N 15 113.123 0.027 . 1 . . . . 58 Asn ND2 . 16839 1 761 . 1 1 59 59 PRO HA H 1 4.415 0.003 . 1 . . . . 59 Pro HA . 16839 1 762 . 1 1 59 59 PRO HB2 H 1 1.990 0.006 . 2 . . . . 59 Pro HB2 . 16839 1 763 . 1 1 59 59 PRO HB3 H 1 2.394 0.004 . 2 . . . . 59 Pro HB3 . 16839 1 764 . 1 1 59 59 PRO HD2 H 1 3.655 0.003 . 2 . . . . 59 Pro HD2 . 16839 1 765 . 1 1 59 59 PRO HD3 H 1 4.040 0.004 . 2 . . . . 59 Pro HD3 . 16839 1 766 . 1 1 59 59 PRO HG2 H 1 1.981 0.009 . 2 . . . . 59 Pro HG2 . 16839 1 767 . 1 1 59 59 PRO HG3 H 1 2.070 0.006 . 2 . . . . 59 Pro HG3 . 16839 1 768 . 1 1 59 59 PRO C C 13 178.495 0.001 . 1 . . . . 59 Pro C . 16839 1 769 . 1 1 59 59 PRO CA C 13 64.881 0.031 . 1 . . . . 59 Pro CA . 16839 1 770 . 1 1 59 59 PRO CB C 13 32.296 0.040 . 1 . . . . 59 Pro CB . 16839 1 771 . 1 1 59 59 PRO CD C 13 51.512 0.067 . 1 . . . . 59 Pro CD . 16839 1 772 . 1 1 59 59 PRO CG C 13 27.357 0.058 . 1 . . . . 59 Pro CG . 16839 1 773 . 1 1 60 60 SER H H 1 8.707 0.010 . 1 . . . . 60 Ser H . 16839 1 774 . 1 1 60 60 SER HA H 1 4.357 0.005 . 1 . . . . 60 Ser HA . 16839 1 775 . 1 1 60 60 SER HB2 H 1 3.656 0.008 . 2 . . . . 60 Ser HB2 . 16839 1 776 . 1 1 60 60 SER HB3 H 1 3.911 0.004 . 2 . . . . 60 Ser HB3 . 16839 1 777 . 1 1 60 60 SER C C 13 175.512 0.061 . 1 . . . . 60 Ser C . 16839 1 778 . 1 1 60 60 SER CA C 13 61.463 0.078 . 1 . . . . 60 Ser CA . 16839 1 779 . 1 1 60 60 SER CB C 13 63.120 0.062 . 1 . . . . 60 Ser CB . 16839 1 780 . 1 1 60 60 SER N N 15 114.475 0.025 . 1 . . . . 60 Ser N . 16839 1 781 . 1 1 61 61 LEU H H 1 7.549 0.005 . 1 . . . . 61 Leu H . 16839 1 782 . 1 1 61 61 LEU HA H 1 4.006 0.006 . 1 . . . . 61 Leu HA . 16839 1 783 . 1 1 61 61 LEU HB2 H 1 1.383 0.009 . 2 . . . . 61 Leu HB2 . 16839 1 784 . 1 1 61 61 LEU HB3 H 1 1.525 0.005 . 2 . . . . 61 Leu HB3 . 16839 1 785 . 1 1 61 61 LEU HD11 H 1 0.358 0.008 . 2 . . . . 61 Leu HD11 . 16839 1 786 . 1 1 61 61 LEU HD12 H 1 0.358 0.008 . 2 . . . . 61 Leu HD12 . 16839 1 787 . 1 1 61 61 LEU HD13 H 1 0.358 0.008 . 2 . . . . 61 Leu HD13 . 16839 1 788 . 1 1 61 61 LEU HD21 H 1 0.471 0.009 . 2 . . . . 61 Leu HD21 . 16839 1 789 . 1 1 61 61 LEU HD22 H 1 0.471 0.009 . 2 . . . . 61 Leu HD22 . 16839 1 790 . 1 1 61 61 LEU HD23 H 1 0.471 0.009 . 2 . . . . 61 Leu HD23 . 16839 1 791 . 1 1 61 61 LEU HG H 1 1.227 0.005 . 1 . . . . 61 Leu HG . 16839 1 792 . 1 1 61 61 LEU C C 13 177.590 0.003 . 1 . . . . 61 Leu C . 16839 1 793 . 1 1 61 61 LEU CA C 13 56.495 0.066 . 1 . . . . 61 Leu CA . 16839 1 794 . 1 1 61 61 LEU CB C 13 41.712 0.030 . 1 . . . . 61 Leu CB . 16839 1 795 . 1 1 61 61 LEU CD1 C 13 23.955 0.061 . 2 . . . . 61 Leu CD1 . 16839 1 796 . 1 1 61 61 LEU CD2 C 13 25.022 0.035 . 2 . . . . 61 Leu CD2 . 16839 1 797 . 1 1 61 61 LEU CG C 13 26.963 0.049 . 1 . . . . 61 Leu CG . 16839 1 798 . 1 1 61 61 LEU N N 15 120.340 0.048 . 1 . . . . 61 Leu N . 16839 1 799 . 1 1 62 62 SER H H 1 7.651 0.005 . 1 . . . . 62 Ser H . 16839 1 800 . 1 1 62 62 SER HA H 1 4.116 0.007 . 1 . . . . 62 Ser HA . 16839 1 801 . 1 1 62 62 SER HB2 H 1 3.930 0.002 . 1 . . . . 62 Ser HB2 . 16839 1 802 . 1 1 62 62 SER HB3 H 1 3.930 0.002 . 1 . . . . 62 Ser HB3 . 16839 1 803 . 1 1 62 62 SER C C 13 176.777 0.011 . 1 . . . . 62 Ser C . 16839 1 804 . 1 1 62 62 SER CA C 13 61.909 0.076 . 1 . . . . 62 Ser CA . 16839 1 805 . 1 1 62 62 SER CB C 13 62.626 0.049 . 1 . . . . 62 Ser CB . 16839 1 806 . 1 1 62 62 SER N N 15 113.674 0.037 . 1 . . . . 62 Ser N . 16839 1 807 . 1 1 63 63 GLN H H 1 7.852 0.006 . 1 . . . . 63 Gln H . 16839 1 808 . 1 1 63 63 GLN HA H 1 4.080 0.006 . 1 . . . . 63 Gln HA . 16839 1 809 . 1 1 63 63 GLN HB2 H 1 1.958 0.007 . 2 . . . . 63 Gln HB2 . 16839 1 810 . 1 1 63 63 GLN HB3 H 1 2.008 0.005 . 2 . . . . 63 Gln HB3 . 16839 1 811 . 1 1 63 63 GLN HE21 H 1 6.810 0.003 . 1 . . . . 63 Gln HE21 . 16839 1 812 . 1 1 63 63 GLN HE22 H 1 7.391 0.003 . 1 . . . . 63 Gln HE22 . 16839 1 813 . 1 1 63 63 GLN HG2 H 1 2.234 0.005 . 1 . . . . 63 Gln HG2 . 16839 1 814 . 1 1 63 63 GLN HG3 H 1 2.234 0.005 . 1 . . . . 63 Gln HG3 . 16839 1 815 . 1 1 63 63 GLN C C 13 177.485 0.021 . 1 . . . . 63 Gln C . 16839 1 816 . 1 1 63 63 GLN CA C 13 58.305 0.028 . 1 . . . . 63 Gln CA . 16839 1 817 . 1 1 63 63 GLN CB C 13 28.542 0.045 . 1 . . . . 63 Gln CB . 16839 1 818 . 1 1 63 63 GLN CD C 13 180.087 0.001 . 1 . . . . 63 Gln CD . 16839 1 819 . 1 1 63 63 GLN CG C 13 33.959 0.024 . 1 . . . . 63 Gln CG . 16839 1 820 . 1 1 63 63 GLN N N 15 119.317 0.025 . 1 . . . . 63 Gln N . 16839 1 821 . 1 1 63 63 GLN NE2 N 15 111.923 0.036 . 1 . . . . 63 Gln NE2 . 16839 1 822 . 1 1 64 64 TRP H H 1 7.726 0.007 . 1 . . . . 64 Trp H . 16839 1 823 . 1 1 64 64 TRP HA H 1 4.278 0.007 . 1 . . . . 64 Trp HA . 16839 1 824 . 1 1 64 64 TRP HB2 H 1 3.026 0.010 . 2 . . . . 64 Trp HB2 . 16839 1 825 . 1 1 64 64 TRP HB3 H 1 3.124 0.011 . 2 . . . . 64 Trp HB3 . 16839 1 826 . 1 1 64 64 TRP HD1 H 1 6.838 0.006 . 1 . . . . 64 Trp HD1 . 16839 1 827 . 1 1 64 64 TRP HE1 H 1 9.993 0.003 . 1 . . . . 64 Trp HE1 . 16839 1 828 . 1 1 64 64 TRP HE3 H 1 6.995 0.007 . 1 . . . . 64 Trp HE3 . 16839 1 829 . 1 1 64 64 TRP HH2 H 1 6.890 0.002 . 1 . . . . 64 Trp HH2 . 16839 1 830 . 1 1 64 64 TRP HZ2 H 1 7.224 0.004 . 1 . . . . 64 Trp HZ2 . 16839 1 831 . 1 1 64 64 TRP HZ3 H 1 6.678 0.003 . 1 . . . . 64 Trp HZ3 . 16839 1 832 . 1 1 64 64 TRP C C 13 177.902 0.000 . 1 . . . . 64 Trp C . 16839 1 833 . 1 1 64 64 TRP CA C 13 60.587 0.059 . 1 . . . . 64 Trp CA . 16839 1 834 . 1 1 64 64 TRP CB C 13 28.955 0.076 . 1 . . . . 64 Trp CB . 16839 1 835 . 1 1 64 64 TRP CD1 C 13 126.332 0.040 . 1 . . . . 64 Trp CD1 . 16839 1 836 . 1 1 64 64 TRP CE3 C 13 120.257 0.083 . 1 . . . . 64 Trp CE3 . 16839 1 837 . 1 1 64 64 TRP CH2 C 13 123.855 0.029 . 1 . . . . 64 Trp CH2 . 16839 1 838 . 1 1 64 64 TRP CZ2 C 13 114.362 0.025 . 1 . . . . 64 Trp CZ2 . 16839 1 839 . 1 1 64 64 TRP CZ3 C 13 121.244 0.056 . 1 . . . . 64 Trp CZ3 . 16839 1 840 . 1 1 64 64 TRP N N 15 120.623 0.040 . 1 . . . . 64 Trp N . 16839 1 841 . 1 1 64 64 TRP NE1 N 15 129.530 0.018 . 1 . . . . 64 Trp NE1 . 16839 1 842 . 1 1 65 65 PHE H H 1 8.137 0.007 . 1 . . . . 65 Phe H . 16839 1 843 . 1 1 65 65 PHE HA H 1 4.151 0.010 . 1 . . . . 65 Phe HA . 16839 1 844 . 1 1 65 65 PHE HB2 H 1 3.005 0.006 . 2 . . . . 65 Phe HB2 . 16839 1 845 . 1 1 65 65 PHE HB3 H 1 3.141 0.009 . 2 . . . . 65 Phe HB3 . 16839 1 846 . 1 1 65 65 PHE HD1 H 1 7.167 0.002 . 3 . . . . 65 Phe HD1 . 16839 1 847 . 1 1 65 65 PHE HD2 H 1 7.167 0.002 . 3 . . . . 65 Phe HD2 . 16839 1 848 . 1 1 65 65 PHE HE1 H 1 7.058 0.004 . 3 . . . . 65 Phe HE1 . 16839 1 849 . 1 1 65 65 PHE HE2 H 1 7.058 0.004 . 3 . . . . 65 Phe HE2 . 16839 1 850 . 1 1 65 65 PHE HZ H 1 6.856 0.002 . 1 . . . . 65 Phe HZ . 16839 1 851 . 1 1 65 65 PHE C C 13 177.589 0.000 . 1 . . . . 65 Phe C . 16839 1 852 . 1 1 65 65 PHE CA C 13 59.694 0.067 . 1 . . . . 65 Phe CA . 16839 1 853 . 1 1 65 65 PHE CB C 13 38.891 0.053 . 1 . . . . 65 Phe CB . 16839 1 854 . 1 1 65 65 PHE CD1 C 13 131.638 0.002 . 3 . . . . 65 Phe CD1 . 16839 1 855 . 1 1 65 65 PHE CD2 C 13 131.638 0.002 . 3 . . . . 65 Phe CD2 . 16839 1 856 . 1 1 65 65 PHE CE1 C 13 131.254 0.042 . 3 . . . . 65 Phe CE1 . 16839 1 857 . 1 1 65 65 PHE CE2 C 13 131.254 0.042 . 3 . . . . 65 Phe CE2 . 16839 1 858 . 1 1 65 65 PHE CZ C 13 129.285 0.050 . 1 . . . . 65 Phe CZ . 16839 1 859 . 1 1 65 65 PHE N N 15 117.072 0.032 . 1 . . . . 65 Phe N . 16839 1 860 . 1 1 66 66 GLU H H 1 8.017 0.006 . 1 . . . . 66 Glu H . 16839 1 861 . 1 1 66 66 GLU HA H 1 4.037 0.004 . 1 . . . . 66 Glu HA . 16839 1 862 . 1 1 66 66 GLU HB2 H 1 1.931 0.002 . 2 . . . . 66 Glu HB2 . 16839 1 863 . 1 1 66 66 GLU HB3 H 1 1.975 0.001 . 2 . . . . 66 Glu HB3 . 16839 1 864 . 1 1 66 66 GLU HG2 H 1 2.124 0.004 . 2 . . . . 66 Glu HG2 . 16839 1 865 . 1 1 66 66 GLU HG3 H 1 2.270 0.004 . 2 . . . . 66 Glu HG3 . 16839 1 866 . 1 1 66 66 GLU C C 13 177.520 0.000 . 1 . . . . 66 Glu C . 16839 1 867 . 1 1 66 66 GLU CA C 13 58.325 0.055 . 1 . . . . 66 Glu CA . 16839 1 868 . 1 1 66 66 GLU CB C 13 29.714 0.056 . 1 . . . . 66 Glu CB . 16839 1 869 . 1 1 66 66 GLU CG C 13 36.268 0.022 . 1 . . . . 66 Glu CG . 16839 1 870 . 1 1 66 66 GLU N N 15 119.050 0.039 . 1 . . . . 66 Glu N . 16839 1 871 . 1 1 67 67 HIS H H 1 7.921 0.010 . 1 . . . . 67 His H . 16839 1 872 . 1 1 67 67 HIS HA H 1 4.454 0.010 . 1 . . . . 67 His HA . 16839 1 873 . 1 1 67 67 HIS HB2 H 1 3.087 0.007 . 2 . . . . 67 His HB2 . 16839 1 874 . 1 1 67 67 HIS HB3 H 1 3.169 0.009 . 2 . . . . 67 His HB3 . 16839 1 875 . 1 1 67 67 HIS HD2 H 1 7.078 0.004 . 1 . . . . 67 His HD2 . 16839 1 876 . 1 1 67 67 HIS C C 13 175.852 0.039 . 1 . . . . 67 His C . 16839 1 877 . 1 1 67 67 HIS CA C 13 56.950 0.075 . 1 . . . . 67 His CA . 16839 1 878 . 1 1 67 67 HIS CB C 13 29.342 0.058 . 1 . . . . 67 His CB . 16839 1 879 . 1 1 67 67 HIS CD2 C 13 119.917 0.011 . 1 . . . . 67 His CD2 . 16839 1 880 . 1 1 67 67 HIS N N 15 117.102 0.138 . 1 . . . . 67 His N . 16839 1 881 . 1 1 68 68 GLN H H 1 7.920 0.005 . 1 . . . . 68 Gln H . 16839 1 882 . 1 1 68 68 GLN HA H 1 3.993 0.008 . 1 . . . . 68 Gln HA . 16839 1 883 . 1 1 68 68 GLN HB2 H 1 1.677 0.007 . 2 . . . . 68 Gln HB2 . 16839 1 884 . 1 1 68 68 GLN HB3 H 1 1.866 0.009 . 2 . . . . 68 Gln HB3 . 16839 1 885 . 1 1 68 68 GLN HE21 H 1 6.449 0.004 . 1 . . . . 68 Gln HE21 . 16839 1 886 . 1 1 68 68 GLN HE22 H 1 6.777 0.003 . 1 . . . . 68 Gln HE22 . 16839 1 887 . 1 1 68 68 GLN HG2 H 1 1.737 0.005 . 2 . . . . 68 Gln HG2 . 16839 1 888 . 1 1 68 68 GLN HG3 H 1 1.878 0.008 . 2 . . . . 68 Gln HG3 . 16839 1 889 . 1 1 68 68 GLN C C 13 176.653 0.055 . 1 . . . . 68 Gln C . 16839 1 890 . 1 1 68 68 GLN CA C 13 56.492 0.035 . 1 . . . . 68 Gln CA . 16839 1 891 . 1 1 68 68 GLN CB C 13 28.889 0.040 . 1 . . . . 68 Gln CB . 16839 1 892 . 1 1 68 68 GLN CG C 13 33.081 0.020 . 1 . . . . 68 Gln CG . 16839 1 893 . 1 1 68 68 GLN N N 15 119.198 0.042 . 1 . . . . 68 Gln N . 16839 1 894 . 1 1 68 68 GLN NE2 N 15 111.735 0.032 . 1 . . . . 68 Gln NE2 . 16839 1 895 . 1 1 69 69 GLU H H 1 8.333 0.008 . 1 . . . . 69 Glu H . 16839 1 896 . 1 1 69 69 GLU HA H 1 4.026 0.008 . 1 . . . . 69 Glu HA . 16839 1 897 . 1 1 69 69 GLU HB2 H 1 1.923 0.006 . 2 . . . . 69 Glu HB2 . 16839 1 898 . 1 1 69 69 GLU HB3 H 1 1.976 0.006 . 2 . . . . 69 Glu HB3 . 16839 1 899 . 1 1 69 69 GLU HG2 H 1 2.153 0.005 . 2 . . . . 69 Glu HG2 . 16839 1 900 . 1 1 69 69 GLU HG3 H 1 2.221 0.005 . 2 . . . . 69 Glu HG3 . 16839 1 901 . 1 1 69 69 GLU C C 13 177.202 0.013 . 1 . . . . 69 Glu C . 16839 1 902 . 1 1 69 69 GLU CA C 13 57.835 0.048 . 1 . . . . 69 Glu CA . 16839 1 903 . 1 1 69 69 GLU CB C 13 29.691 0.054 . 1 . . . . 69 Glu CB . 16839 1 904 . 1 1 69 69 GLU CG C 13 36.213 0.008 . 1 . . . . 69 Glu CG . 16839 1 905 . 1 1 69 69 GLU N N 15 120.879 0.036 . 1 . . . . 69 Glu N . 16839 1 906 . 1 1 70 70 ARG H H 1 8.029 0.008 . 1 . . . . 70 Arg H . 16839 1 907 . 1 1 70 70 ARG HA H 1 4.129 0.004 . 1 . . . . 70 Arg HA . 16839 1 908 . 1 1 70 70 ARG HB2 H 1 1.715 0.006 . 2 . . . . 70 Arg HB2 . 16839 1 909 . 1 1 70 70 ARG HB3 H 1 1.766 0.006 . 2 . . . . 70 Arg HB3 . 16839 1 910 . 1 1 70 70 ARG HD2 H 1 3.064 0.006 . 1 . . . . 70 Arg HD2 . 16839 1 911 . 1 1 70 70 ARG HD3 H 1 3.064 0.006 . 1 . . . . 70 Arg HD3 . 16839 1 912 . 1 1 70 70 ARG HE H 1 7.200 0.001 . 1 . . . . 70 Arg HE . 16839 1 913 . 1 1 70 70 ARG HG2 H 1 1.526 0.006 . 2 . . . . 70 Arg HG2 . 16839 1 914 . 1 1 70 70 ARG HG3 H 1 1.580 0.006 . 2 . . . . 70 Arg HG3 . 16839 1 915 . 1 1 70 70 ARG C C 13 176.875 0.028 . 1 . . . . 70 Arg C . 16839 1 916 . 1 1 70 70 ARG CA C 13 56.916 0.023 . 1 . . . . 70 Arg CA . 16839 1 917 . 1 1 70 70 ARG CB C 13 30.371 0.042 . 1 . . . . 70 Arg CB . 16839 1 918 . 1 1 70 70 ARG CD C 13 43.366 0.006 . 1 . . . . 70 Arg CD . 16839 1 919 . 1 1 70 70 ARG CG C 13 27.282 0.037 . 1 . . . . 70 Arg CG . 16839 1 920 . 1 1 70 70 ARG N N 15 120.046 0.051 . 1 . . . . 70 Arg N . 16839 1 921 . 1 1 70 70 ARG NE N 15 108.621 0.001 . 1 . . . . 70 Arg NE . 16839 1 922 . 1 1 71 71 LYS H H 1 7.989 0.004 . 1 . . . . 71 Lys H . 16839 1 923 . 1 1 71 71 LYS HA H 1 4.153 0.007 . 1 . . . . 71 Lys HA . 16839 1 924 . 1 1 71 71 LYS HB2 H 1 1.671 0.005 . 2 . . . . 71 Lys HB2 . 16839 1 925 . 1 1 71 71 LYS HB3 H 1 1.721 0.006 . 2 . . . . 71 Lys HB3 . 16839 1 926 . 1 1 71 71 LYS HD2 H 1 1.572 0.005 . 1 . . . . 71 Lys HD2 . 16839 1 927 . 1 1 71 71 LYS HD3 H 1 1.572 0.005 . 1 . . . . 71 Lys HD3 . 16839 1 928 . 1 1 71 71 LYS HE2 H 1 2.883 0.002 . 1 . . . . 71 Lys HE2 . 16839 1 929 . 1 1 71 71 LYS HE3 H 1 2.883 0.002 . 1 . . . . 71 Lys HE3 . 16839 1 930 . 1 1 71 71 LYS HG2 H 1 1.282 0.006 . 2 . . . . 71 Lys HG2 . 16839 1 931 . 1 1 71 71 LYS HG3 H 1 1.332 0.005 . 2 . . . . 71 Lys HG3 . 16839 1 932 . 1 1 71 71 LYS C C 13 176.854 0.002 . 1 . . . . 71 Lys C . 16839 1 933 . 1 1 71 71 LYS CA C 13 56.812 0.026 . 1 . . . . 71 Lys CA . 16839 1 934 . 1 1 71 71 LYS CB C 13 32.772 0.022 . 1 . . . . 71 Lys CB . 16839 1 935 . 1 1 71 71 LYS CD C 13 29.115 0.032 . 1 . . . . 71 Lys CD . 16839 1 936 . 1 1 71 71 LYS CE C 13 42.150 0.033 . 1 . . . . 71 Lys CE . 16839 1 937 . 1 1 71 71 LYS CG C 13 24.816 0.010 . 1 . . . . 71 Lys CG . 16839 1 938 . 1 1 71 71 LYS N N 15 120.514 0.030 . 1 . . . . 71 Lys N . 16839 1 939 . 1 1 72 72 LEU H H 1 8.002 0.003 . 1 . . . . 72 Leu H . 16839 1 940 . 1 1 72 72 LEU HA H 1 4.199 0.009 . 1 . . . . 72 Leu HA . 16839 1 941 . 1 1 72 72 LEU HB2 H 1 1.394 0.008 . 2 . . . . 72 Leu HB2 . 16839 1 942 . 1 1 72 72 LEU HB3 H 1 1.504 0.006 . 2 . . . . 72 Leu HB3 . 16839 1 943 . 1 1 72 72 LEU HD11 H 1 0.738 0.004 . 2 . . . . 72 Leu HD11 . 16839 1 944 . 1 1 72 72 LEU HD12 H 1 0.738 0.004 . 2 . . . . 72 Leu HD12 . 16839 1 945 . 1 1 72 72 LEU HD13 H 1 0.738 0.004 . 2 . . . . 72 Leu HD13 . 16839 1 946 . 1 1 72 72 LEU HD21 H 1 0.784 0.004 . 2 . . . . 72 Leu HD21 . 16839 1 947 . 1 1 72 72 LEU HD22 H 1 0.784 0.004 . 2 . . . . 72 Leu HD22 . 16839 1 948 . 1 1 72 72 LEU HD23 H 1 0.784 0.004 . 2 . . . . 72 Leu HD23 . 16839 1 949 . 1 1 72 72 LEU HG H 1 1.438 0.006 . 1 . . . . 72 Leu HG . 16839 1 950 . 1 1 72 72 LEU C C 13 177.316 0.017 . 1 . . . . 72 Leu C . 16839 1 951 . 1 1 72 72 LEU CA C 13 55.412 0.030 . 1 . . . . 72 Leu CA . 16839 1 952 . 1 1 72 72 LEU CB C 13 42.265 0.016 . 1 . . . . 72 Leu CB . 16839 1 953 . 1 1 72 72 LEU CD1 C 13 23.404 0.037 . 2 . . . . 72 Leu CD1 . 16839 1 954 . 1 1 72 72 LEU CD2 C 13 24.985 0.035 . 2 . . . . 72 Leu CD2 . 16839 1 955 . 1 1 72 72 LEU CG C 13 26.865 0.016 . 1 . . . . 72 Leu CG . 16839 1 956 . 1 1 72 72 LEU N N 15 121.161 0.027 . 1 . . . . 72 Leu N . 16839 1 957 . 1 1 73 73 HIS H H 1 8.256 0.016 . 1 . . . . 73 His H . 16839 1 958 . 1 1 73 73 HIS HA H 1 4.595 0.007 . 1 . . . . 73 His HA . 16839 1 959 . 1 1 73 73 HIS HB2 H 1 3.111 0.007 . 2 . . . . 73 His HB2 . 16839 1 960 . 1 1 73 73 HIS HB3 H 1 3.204 0.013 . 2 . . . . 73 His HB3 . 16839 1 961 . 1 1 73 73 HIS HD2 H 1 7.120 0.005 . 1 . . . . 73 His HD2 . 16839 1 962 . 1 1 73 73 HIS C C 13 175.270 0.043 . 1 . . . . 73 His C . 16839 1 963 . 1 1 73 73 HIS CA C 13 55.895 0.066 . 1 . . . . 73 His CA . 16839 1 964 . 1 1 73 73 HIS CB C 13 29.550 0.050 . 1 . . . . 73 His CB . 16839 1 965 . 1 1 73 73 HIS CD2 C 13 120.199 0.103 . 1 . . . . 73 His CD2 . 16839 1 966 . 1 1 73 73 HIS N N 15 118.181 0.117 . 1 . . . . 73 His N . 16839 1 967 . 1 1 74 74 GLY H H 1 8.307 0.005 . 1 . . . . 74 Gly H . 16839 1 968 . 1 1 74 74 GLY HA2 H 1 3.929 0.010 . 2 . . . . 74 Gly HA2 . 16839 1 969 . 1 1 74 74 GLY HA3 H 1 3.957 0.010 . 2 . . . . 74 Gly HA3 . 16839 1 970 . 1 1 74 74 GLY C C 13 174.076 0.009 . 1 . . . . 74 Gly C . 16839 1 971 . 1 1 74 74 GLY CA C 13 45.463 0.046 . 1 . . . . 74 Gly CA . 16839 1 972 . 1 1 74 74 GLY N N 15 109.464 0.033 . 1 . . . . 74 Gly N . 16839 1 973 . 1 1 75 75 THR H H 1 8.009 0.004 . 1 . . . . 75 Thr H . 16839 1 974 . 1 1 75 75 THR HA H 1 4.303 0.006 . 1 . . . . 75 Thr HA . 16839 1 975 . 1 1 75 75 THR HB H 1 4.131 0.003 . 1 . . . . 75 Thr HB . 16839 1 976 . 1 1 75 75 THR HG21 H 1 1.129 0.007 . 1 . . . . 75 Thr HG21 . 16839 1 977 . 1 1 75 75 THR HG22 H 1 1.129 0.007 . 1 . . . . 75 Thr HG22 . 16839 1 978 . 1 1 75 75 THR HG23 H 1 1.129 0.007 . 1 . . . . 75 Thr HG23 . 16839 1 979 . 1 1 75 75 THR C C 13 174.312 0.020 . 1 . . . . 75 Thr C . 16839 1 980 . 1 1 75 75 THR CA C 13 61.789 0.060 . 1 . . . . 75 Thr CA . 16839 1 981 . 1 1 75 75 THR CB C 13 69.950 0.076 . 1 . . . . 75 Thr CB . 16839 1 982 . 1 1 75 75 THR CG2 C 13 21.813 0.002 . 1 . . . . 75 Thr CG2 . 16839 1 983 . 1 1 75 75 THR N N 15 113.702 0.032 . 1 . . . . 75 Thr N . 16839 1 984 . 1 1 76 76 LEU H H 1 8.263 0.003 . 1 . . . . 76 Leu H . 16839 1 985 . 1 1 76 76 LEU HA H 1 4.536 0.005 . 1 . . . . 76 Leu HA . 16839 1 986 . 1 1 76 76 LEU HB2 H 1 1.479 0.009 . 2 . . . . 76 Leu HB2 . 16839 1 987 . 1 1 76 76 LEU HB3 H 1 1.541 0.004 . 2 . . . . 76 Leu HB3 . 16839 1 988 . 1 1 76 76 LEU HD11 H 1 0.793 0.004 . 2 . . . . 76 Leu HD11 . 16839 1 989 . 1 1 76 76 LEU HD12 H 1 0.793 0.004 . 2 . . . . 76 Leu HD12 . 16839 1 990 . 1 1 76 76 LEU HD13 H 1 0.793 0.004 . 2 . . . . 76 Leu HD13 . 16839 1 991 . 1 1 76 76 LEU HD21 H 1 0.796 0.004 . 2 . . . . 76 Leu HD21 . 16839 1 992 . 1 1 76 76 LEU HD22 H 1 0.796 0.004 . 2 . . . . 76 Leu HD22 . 16839 1 993 . 1 1 76 76 LEU HD23 H 1 0.796 0.004 . 2 . . . . 76 Leu HD23 . 16839 1 994 . 1 1 76 76 LEU HG H 1 1.597 0.001 . 1 . . . . 76 Leu HG . 16839 1 995 . 1 1 76 76 LEU CA C 13 53.177 0.020 . 1 . . . . 76 Leu CA . 16839 1 996 . 1 1 76 76 LEU CB C 13 41.913 0.034 . 1 . . . . 76 Leu CB . 16839 1 997 . 1 1 76 76 LEU CD1 C 13 23.693 0.009 . 2 . . . . 76 Leu CD1 . 16839 1 998 . 1 1 76 76 LEU CD2 C 13 25.339 0.038 . 2 . . . . 76 Leu CD2 . 16839 1 999 . 1 1 76 76 LEU CG C 13 26.986 0.000 . 1 . . . . 76 Leu CG . 16839 1 1000 . 1 1 76 76 LEU N N 15 125.598 0.035 . 1 . . . . 76 Leu N . 16839 1 1001 . 1 1 77 77 PRO HA H 1 4.332 0.003 . 1 . . . . 77 Pro HA . 16839 1 1002 . 1 1 77 77 PRO HB2 H 1 1.760 0.009 . 2 . . . . 77 Pro HB2 . 16839 1 1003 . 1 1 77 77 PRO HB3 H 1 2.171 0.003 . 2 . . . . 77 Pro HB3 . 16839 1 1004 . 1 1 77 77 PRO HD2 H 1 3.505 0.004 . 2 . . . . 77 Pro HD2 . 16839 1 1005 . 1 1 77 77 PRO HD3 H 1 3.743 0.005 . 2 . . . . 77 Pro HD3 . 16839 1 1006 . 1 1 77 77 PRO HG2 H 1 1.869 0.003 . 1 . . . . 77 Pro HG2 . 16839 1 1007 . 1 1 77 77 PRO HG3 H 1 1.869 0.003 . 1 . . . . 77 Pro HG3 . 16839 1 1008 . 1 1 77 77 PRO C C 13 176.257 0.000 . 1 . . . . 77 Pro C . 16839 1 1009 . 1 1 77 77 PRO CA C 13 63.007 0.029 . 1 . . . . 77 Pro CA . 16839 1 1010 . 1 1 77 77 PRO CB C 13 32.062 0.022 . 1 . . . . 77 Pro CB . 16839 1 1011 . 1 1 77 77 PRO CD C 13 50.521 0.025 . 1 . . . . 77 Pro CD . 16839 1 1012 . 1 1 77 77 PRO CG C 13 27.411 0.100 . 1 . . . . 77 Pro CG . 16839 1 1013 . 1 1 78 78 LYS H H 1 8.206 0.002 . 1 . . . . 78 Lys H . 16839 1 1014 . 1 1 78 78 LYS HA H 1 4.203 0.008 . 1 . . . . 78 Lys HA . 16839 1 1015 . 1 1 78 78 LYS HB2 H 1 1.674 0.006 . 2 . . . . 78 Lys HB2 . 16839 1 1016 . 1 1 78 78 LYS HB3 H 1 1.721 0.005 . 2 . . . . 78 Lys HB3 . 16839 1 1017 . 1 1 78 78 LYS HD2 H 1 1.607 0.005 . 1 . . . . 78 Lys HD2 . 16839 1 1018 . 1 1 78 78 LYS HD3 H 1 1.607 0.005 . 1 . . . . 78 Lys HD3 . 16839 1 1019 . 1 1 78 78 LYS HE2 H 1 2.922 0.004 . 1 . . . . 78 Lys HE2 . 16839 1 1020 . 1 1 78 78 LYS HE3 H 1 2.922 0.004 . 1 . . . . 78 Lys HE3 . 16839 1 1021 . 1 1 78 78 LYS HG2 H 1 1.334 0.005 . 2 . . . . 78 Lys HG2 . 16839 1 1022 . 1 1 78 78 LYS HG3 H 1 1.383 0.005 . 2 . . . . 78 Lys HG3 . 16839 1 1023 . 1 1 78 78 LYS C C 13 176.347 0.001 . 1 . . . . 78 Lys C . 16839 1 1024 . 1 1 78 78 LYS CA C 13 56.234 0.018 . 1 . . . . 78 Lys CA . 16839 1 1025 . 1 1 78 78 LYS CB C 13 32.904 0.009 . 1 . . . . 78 Lys CB . 16839 1 1026 . 1 1 78 78 LYS CD C 13 29.198 0.001 . 1 . . . . 78 Lys CD . 16839 1 1027 . 1 1 78 78 LYS CE C 13 42.200 0.000 . 1 . . . . 78 Lys CE . 16839 1 1028 . 1 1 78 78 LYS CG C 13 24.840 0.000 . 1 . . . . 78 Lys CG . 16839 1 1029 . 1 1 78 78 LYS N N 15 120.575 0.023 . 1 . . . . 78 Lys N . 16839 1 1030 . 1 1 79 79 LEU H H 1 8.092 0.001 . 1 . . . . 79 Leu H . 16839 1 1031 . 1 1 79 79 LEU HA H 1 4.245 0.009 . 1 . . . . 79 Leu HA . 16839 1 1032 . 1 1 79 79 LEU HB2 H 1 1.246 0.006 . 2 . . . . 79 Leu HB2 . 16839 1 1033 . 1 1 79 79 LEU HB3 H 1 1.436 0.005 . 2 . . . . 79 Leu HB3 . 16839 1 1034 . 1 1 79 79 LEU HD11 H 1 0.676 0.005 . 2 . . . . 79 Leu HD11 . 16839 1 1035 . 1 1 79 79 LEU HD12 H 1 0.676 0.005 . 2 . . . . 79 Leu HD12 . 16839 1 1036 . 1 1 79 79 LEU HD13 H 1 0.676 0.005 . 2 . . . . 79 Leu HD13 . 16839 1 1037 . 1 1 79 79 LEU HD21 H 1 0.731 0.004 . 2 . . . . 79 Leu HD21 . 16839 1 1038 . 1 1 79 79 LEU HD22 H 1 0.731 0.004 . 2 . . . . 79 Leu HD22 . 16839 1 1039 . 1 1 79 79 LEU HD23 H 1 0.731 0.004 . 2 . . . . 79 Leu HD23 . 16839 1 1040 . 1 1 79 79 LEU HG H 1 1.437 0.005 . 1 . . . . 79 Leu HG . 16839 1 1041 . 1 1 79 79 LEU C C 13 176.354 0.004 . 1 . . . . 79 Leu C . 16839 1 1042 . 1 1 79 79 LEU CA C 13 54.753 0.023 . 1 . . . . 79 Leu CA . 16839 1 1043 . 1 1 79 79 LEU CB C 13 42.590 0.037 . 1 . . . . 79 Leu CB . 16839 1 1044 . 1 1 79 79 LEU CD1 C 13 23.736 0.049 . 2 . . . . 79 Leu CD1 . 16839 1 1045 . 1 1 79 79 LEU CD2 C 13 25.158 0.034 . 2 . . . . 79 Leu CD2 . 16839 1 1046 . 1 1 79 79 LEU CG C 13 26.866 0.039 . 1 . . . . 79 Leu CG . 16839 1 1047 . 1 1 79 79 LEU N N 15 123.023 0.016 . 1 . . . . 79 Leu N . 16839 1 1048 . 1 1 80 80 ASN H H 1 8.254 0.007 . 1 . . . . 80 Asn H . 16839 1 1049 . 1 1 80 80 ASN HA H 1 4.630 0.005 . 1 . . . . 80 Asn HA . 16839 1 1050 . 1 1 80 80 ASN HB2 H 1 2.628 0.008 . 2 . . . . 80 Asn HB2 . 16839 1 1051 . 1 1 80 80 ASN HB3 H 1 2.745 0.005 . 2 . . . . 80 Asn HB3 . 16839 1 1052 . 1 1 80 80 ASN HD21 H 1 6.844 0.003 . 1 . . . . 80 Asn HD21 . 16839 1 1053 . 1 1 80 80 ASN HD22 H 1 7.535 0.005 . 1 . . . . 80 Asn HD22 . 16839 1 1054 . 1 1 80 80 ASN C C 13 174.846 0.003 . 1 . . . . 80 Asn C . 16839 1 1055 . 1 1 80 80 ASN CA C 13 52.774 0.027 . 1 . . . . 80 Asn CA . 16839 1 1056 . 1 1 80 80 ASN CB C 13 38.979 0.040 . 1 . . . . 80 Asn CB . 16839 1 1057 . 1 1 80 80 ASN CG C 13 176.978 0.022 . 1 . . . . 80 Asn CG . 16839 1 1058 . 1 1 80 80 ASN N N 15 119.566 0.021 . 1 . . . . 80 Asn N . 16839 1 1059 . 1 1 80 80 ASN ND2 N 15 112.705 0.035 . 1 . . . . 80 Asn ND2 . 16839 1 1060 . 1 1 81 81 PHE H H 1 8.212 0.002 . 1 . . . . 81 Phe H . 16839 1 1061 . 1 1 81 81 PHE HA H 1 4.433 0.006 . 1 . . . . 81 Phe HA . 16839 1 1062 . 1 1 81 81 PHE HB2 H 1 2.894 0.005 . 2 . . . . 81 Phe HB2 . 16839 1 1063 . 1 1 81 81 PHE HB3 H 1 3.085 0.005 . 2 . . . . 81 Phe HB3 . 16839 1 1064 . 1 1 81 81 PHE HD1 H 1 7.098 0.002 . 3 . . . . 81 Phe HD1 . 16839 1 1065 . 1 1 81 81 PHE HD2 H 1 7.098 0.002 . 3 . . . . 81 Phe HD2 . 16839 1 1066 . 1 1 81 81 PHE HE1 H 1 7.160 0.002 . 3 . . . . 81 Phe HE1 . 16839 1 1067 . 1 1 81 81 PHE HE2 H 1 7.160 0.002 . 3 . . . . 81 Phe HE2 . 16839 1 1068 . 1 1 81 81 PHE C C 13 176.373 0.006 . 1 . . . . 81 Phe C . 16839 1 1069 . 1 1 81 81 PHE CA C 13 58.481 0.047 . 1 . . . . 81 Phe CA . 16839 1 1070 . 1 1 81 81 PHE CB C 13 39.387 0.071 . 1 . . . . 81 Phe CB . 16839 1 1071 . 1 1 81 81 PHE CD1 C 13 131.663 0.069 . 3 . . . . 81 Phe CD1 . 16839 1 1072 . 1 1 81 81 PHE CD2 C 13 131.663 0.069 . 3 . . . . 81 Phe CD2 . 16839 1 1073 . 1 1 81 81 PHE CE1 C 13 131.481 0.043 . 3 . . . . 81 Phe CE1 . 16839 1 1074 . 1 1 81 81 PHE CE2 C 13 131.481 0.043 . 3 . . . . 81 Phe CE2 . 16839 1 1075 . 1 1 81 81 PHE N N 15 121.019 0.018 . 1 . . . . 81 Phe N . 16839 1 1076 . 1 1 82 82 GLY H H 1 8.420 0.003 . 1 . . . . 82 Gly H . 16839 1 1077 . 1 1 82 82 GLY HA2 H 1 3.833 0.008 . 1 . . . . 82 Gly HA2 . 16839 1 1078 . 1 1 82 82 GLY HA3 H 1 3.833 0.008 . 1 . . . . 82 Gly HA3 . 16839 1 1079 . 1 1 82 82 GLY C C 13 174.362 0.014 . 1 . . . . 82 Gly C . 16839 1 1080 . 1 1 82 82 GLY CA C 13 45.793 0.058 . 1 . . . . 82 Gly CA . 16839 1 1081 . 1 1 82 82 GLY N N 15 109.337 0.013 . 1 . . . . 82 Gly N . 16839 1 1082 . 1 1 83 83 MET H H 1 7.986 0.003 . 1 . . . . 83 Met H . 16839 1 1083 . 1 1 83 83 MET HA H 1 4.376 0.005 . 1 . . . . 83 Met HA . 16839 1 1084 . 1 1 83 83 MET HB2 H 1 1.950 0.005 . 2 . . . . 83 Met HB2 . 16839 1 1085 . 1 1 83 83 MET HB3 H 1 2.027 0.006 . 2 . . . . 83 Met HB3 . 16839 1 1086 . 1 1 83 83 MET HE1 H 1 2.007 0.002 . 1 . . . . 83 Met HE1 . 16839 1 1087 . 1 1 83 83 MET HE2 H 1 2.007 0.002 . 1 . . . . 83 Met HE2 . 16839 1 1088 . 1 1 83 83 MET HE3 H 1 2.007 0.002 . 1 . . . . 83 Met HE3 . 16839 1 1089 . 1 1 83 83 MET HG2 H 1 2.445 0.006 . 2 . . . . 83 Met HG2 . 16839 1 1090 . 1 1 83 83 MET HG3 H 1 2.518 0.006 . 2 . . . . 83 Met HG3 . 16839 1 1091 . 1 1 83 83 MET C C 13 176.277 0.009 . 1 . . . . 83 Met C . 16839 1 1092 . 1 1 83 83 MET CA C 13 55.797 0.025 . 1 . . . . 83 Met CA . 16839 1 1093 . 1 1 83 83 MET CB C 13 32.900 0.014 . 1 . . . . 83 Met CB . 16839 1 1094 . 1 1 83 83 MET CE C 13 17.012 0.017 . 1 . . . . 83 Met CE . 16839 1 1095 . 1 1 83 83 MET CG C 13 32.169 0.065 . 1 . . . . 83 Met CG . 16839 1 1096 . 1 1 83 83 MET N N 15 119.324 0.021 . 1 . . . . 83 Met N . 16839 1 1097 . 1 1 84 84 LEU H H 1 8.050 0.002 . 1 . . . . 84 Leu H . 16839 1 1098 . 1 1 84 84 LEU HA H 1 4.252 0.005 . 1 . . . . 84 Leu HA . 16839 1 1099 . 1 1 84 84 LEU HB2 H 1 1.505 0.005 . 2 . . . . 84 Leu HB2 . 16839 1 1100 . 1 1 84 84 LEU HB3 H 1 1.572 0.005 . 2 . . . . 84 Leu HB3 . 16839 1 1101 . 1 1 84 84 LEU HD11 H 1 0.768 0.004 . 2 . . . . 84 Leu HD11 . 16839 1 1102 . 1 1 84 84 LEU HD12 H 1 0.768 0.004 . 2 . . . . 84 Leu HD12 . 16839 1 1103 . 1 1 84 84 LEU HD13 H 1 0.768 0.004 . 2 . . . . 84 Leu HD13 . 16839 1 1104 . 1 1 84 84 LEU HD21 H 1 0.800 0.004 . 2 . . . . 84 Leu HD21 . 16839 1 1105 . 1 1 84 84 LEU HD22 H 1 0.800 0.004 . 2 . . . . 84 Leu HD22 . 16839 1 1106 . 1 1 84 84 LEU HD23 H 1 0.800 0.004 . 2 . . . . 84 Leu HD23 . 16839 1 1107 . 1 1 84 84 LEU HG H 1 1.534 0.005 . 1 . . . . 84 Leu HG . 16839 1 1108 . 1 1 84 84 LEU C C 13 177.124 0.004 . 1 . . . . 84 Leu C . 16839 1 1109 . 1 1 84 84 LEU CA C 13 55.418 0.030 . 1 . . . . 84 Leu CA . 16839 1 1110 . 1 1 84 84 LEU CB C 13 42.235 0.019 . 1 . . . . 84 Leu CB . 16839 1 1111 . 1 1 84 84 LEU CD1 C 13 23.599 0.004 . 2 . . . . 84 Leu CD1 . 16839 1 1112 . 1 1 84 84 LEU CD2 C 13 25.108 0.038 . 2 . . . . 84 Leu CD2 . 16839 1 1113 . 1 1 84 84 LEU CG C 13 26.815 0.003 . 1 . . . . 84 Leu CG . 16839 1 1114 . 1 1 84 84 LEU N N 15 122.287 0.017 . 1 . . . . 84 Leu N . 16839 1 1115 . 1 1 85 85 ARG H H 1 8.120 0.002 . 1 . . . . 85 Arg H . 16839 1 1116 . 1 1 85 85 ARG HA H 1 4.253 0.004 . 1 . . . . 85 Arg HA . 16839 1 1117 . 1 1 85 85 ARG HB2 H 1 1.681 0.007 . 2 . . . . 85 Arg HB2 . 16839 1 1118 . 1 1 85 85 ARG HB3 H 1 1.759 0.008 . 2 . . . . 85 Arg HB3 . 16839 1 1119 . 1 1 85 85 ARG HD2 H 1 3.102 0.008 . 1 . . . . 85 Arg HD2 . 16839 1 1120 . 1 1 85 85 ARG HD3 H 1 3.102 0.008 . 1 . . . . 85 Arg HD3 . 16839 1 1121 . 1 1 85 85 ARG HE H 1 7.179 0.004 . 1 . . . . 85 Arg HE . 16839 1 1122 . 1 1 85 85 ARG HG2 H 1 1.531 0.005 . 1 . . . . 85 Arg HG2 . 16839 1 1123 . 1 1 85 85 ARG HG3 H 1 1.531 0.005 . 1 . . . . 85 Arg HG3 . 16839 1 1124 . 1 1 85 85 ARG C C 13 175.869 0.001 . 1 . . . . 85 Arg C . 16839 1 1125 . 1 1 85 85 ARG CA C 13 55.931 0.048 . 1 . . . . 85 Arg CA . 16839 1 1126 . 1 1 85 85 ARG CB C 13 30.917 0.052 . 1 . . . . 85 Arg CB . 16839 1 1127 . 1 1 85 85 ARG CD C 13 43.418 0.024 . 1 . . . . 85 Arg CD . 16839 1 1128 . 1 1 85 85 ARG CG C 13 27.145 0.065 . 1 . . . . 85 Arg CG . 16839 1 1129 . 1 1 85 85 ARG N N 15 121.383 0.021 . 1 . . . . 85 Arg N . 16839 1 1130 . 1 1 85 85 ARG NE N 15 108.719 0.033 . 1 . . . . 85 Arg NE . 16839 1 1131 . 1 1 86 86 LYS H H 1 8.233 0.003 . 1 . . . . 86 Lys H . 16839 1 1132 . 1 1 86 86 LYS HA H 1 4.239 0.008 . 1 . . . . 86 Lys HA . 16839 1 1133 . 1 1 86 86 LYS HB2 H 1 1.693 0.006 . 2 . . . . 86 Lys HB2 . 16839 1 1134 . 1 1 86 86 LYS HB3 H 1 1.772 0.005 . 2 . . . . 86 Lys HB3 . 16839 1 1135 . 1 1 86 86 LYS HD2 H 1 1.612 0.006 . 1 . . . . 86 Lys HD2 . 16839 1 1136 . 1 1 86 86 LYS HD3 H 1 1.612 0.006 . 1 . . . . 86 Lys HD3 . 16839 1 1137 . 1 1 86 86 LYS HE2 H 1 2.920 0.006 . 1 . . . . 86 Lys HE2 . 16839 1 1138 . 1 1 86 86 LYS HE3 H 1 2.920 0.006 . 1 . . . . 86 Lys HE3 . 16839 1 1139 . 1 1 86 86 LYS HG2 H 1 1.342 0.006 . 2 . . . . 86 Lys HG2 . 16839 1 1140 . 1 1 86 86 LYS HG3 H 1 1.380 0.007 . 2 . . . . 86 Lys HG3 . 16839 1 1141 . 1 1 86 86 LYS C C 13 176.385 0.001 . 1 . . . . 86 Lys C . 16839 1 1142 . 1 1 86 86 LYS CA C 13 56.400 0.065 . 1 . . . . 86 Lys CA . 16839 1 1143 . 1 1 86 86 LYS CB C 13 33.026 0.032 . 1 . . . . 86 Lys CB . 16839 1 1144 . 1 1 86 86 LYS CD C 13 29.128 0.016 . 1 . . . . 86 Lys CD . 16839 1 1145 . 1 1 86 86 LYS CE C 13 42.145 0.026 . 1 . . . . 86 Lys CE . 16839 1 1146 . 1 1 86 86 LYS CG C 13 24.767 0.012 . 1 . . . . 86 Lys CG . 16839 1 1147 . 1 1 86 86 LYS N N 15 122.822 0.013 . 1 . . . . 86 Lys N . 16839 1 1148 . 1 1 87 87 MET H H 1 8.377 0.002 . 1 . . . . 87 Met H . 16839 1 1149 . 1 1 87 87 MET HA H 1 4.473 0.003 . 1 . . . . 87 Met HA . 16839 1 1150 . 1 1 87 87 MET HB2 H 1 1.934 0.005 . 2 . . . . 87 Met HB2 . 16839 1 1151 . 1 1 87 87 MET HB3 H 1 2.067 0.008 . 2 . . . . 87 Met HB3 . 16839 1 1152 . 1 1 87 87 MET HE1 H 1 2.007 0.002 . 1 . . . . 87 Met HE1 . 16839 1 1153 . 1 1 87 87 MET HE2 H 1 2.007 0.002 . 1 . . . . 87 Met HE2 . 16839 1 1154 . 1 1 87 87 MET HE3 H 1 2.007 0.002 . 1 . . . . 87 Met HE3 . 16839 1 1155 . 1 1 87 87 MET HG2 H 1 2.463 0.007 . 2 . . . . 87 Met HG2 . 16839 1 1156 . 1 1 87 87 MET HG3 H 1 2.552 0.007 . 2 . . . . 87 Met HG3 . 16839 1 1157 . 1 1 87 87 MET C C 13 175.540 0.002 . 1 . . . . 87 Met C . 16839 1 1158 . 1 1 87 87 MET CA C 13 55.273 0.018 . 1 . . . . 87 Met CA . 16839 1 1159 . 1 1 87 87 MET CB C 13 33.084 0.049 . 1 . . . . 87 Met CB . 16839 1 1160 . 1 1 87 87 MET CE C 13 17.012 0.017 . 1 . . . . 87 Met CE . 16839 1 1161 . 1 1 87 87 MET CG C 13 32.105 0.027 . 1 . . . . 87 Met CG . 16839 1 1162 . 1 1 87 87 MET N N 15 122.519 0.010 . 1 . . . . 87 Met N . 16839 1 1163 . 1 1 88 88 GLY H H 1 7.925 0.002 . 1 . . . . 88 Gly H . 16839 1 1164 . 1 1 88 88 GLY HA2 H 1 3.701 0.011 . 1 . . . . 88 Gly HA2 . 16839 1 1165 . 1 1 88 88 GLY HA3 H 1 3.701 0.011 . 1 . . . . 88 Gly HA3 . 16839 1 1166 . 1 1 88 88 GLY CA C 13 46.209 0.030 . 1 . . . . 88 Gly CA . 16839 1 1167 . 1 1 88 88 GLY N N 15 116.260 0.023 . 1 . . . . 88 Gly N . 16839 1 stop_ save_