data_18806 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18806 _Entry.Title ; Solution Structure of Miz-1 zinc fingers 5 to 7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-24 _Entry.Accession_date 2012-10-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Zinc finger domains 5 to 8 of human Miz-1' _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 David Bernard . . . 18806 2 Mikael Bedard . . . 18806 3 Josee Bilodeau . . . 18806 4 Pierre Lavigne . . . 18806 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18806 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biochemistry department of Universite de Sherbrooke' . 18806 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C2H2 zinc fingers' . 18806 Miz-1 . 18806 ZBTB17 . 18806 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18806 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 18806 '15N chemical shifts' 98 18806 '1H chemical shifts' 659 18806 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2012-10-24 update BMRB 'update entry citation' 18806 1 . . 2012-12-07 2012-10-24 original author 'original release' 18806 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVR 'Miz-1 Zinc Finger domain 8' 18806 PDB 2LVT 'Miz-1 Zinc Finger domain 9' 18806 PDB 2LVU 'Miz-1 Zinc Finger domain 10' 18806 PDB 2M0D 'BMRB Entry Tracking System' 18806 PDB 2M0E 'BMRB Entry Tracking System' 18806 PDB 2M0F 'BMRB Entry Tracking System' 18806 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18806 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23975355 _Citation.Full_citation . _Citation.Title 'Structural and dynamical characterization of the Miz-1 zinc fingers 5-8 by solution-state NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 57 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 103 _Citation.Page_last 116 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Bernard . . . 18806 1 2 Mikael Bedard . . . 18806 1 3 Josee Bilodeau . . . 18806 1 4 Pierre Lavigne . . . 18806 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18806 _Assembly.ID 1 _Assembly.Name Miz58 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12953.9494 _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 Miz58 1 $Miz58 A . yes native no no . . . 18806 1 2 'Zinc ions' 2 $entity_ZN . . no native no no . . . 18806 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Miz58 _Entity.Sf_category entity _Entity.Sf_framecode Miz58 _Entity.Entry_ID 18806 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Miz58 _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 ; MKPYQCDYCGRSFSDPTSKM RHLETHDTDKEHKCPHCDKK FNQVGNLKAHLKIHIADGPL KCRECGKQFTTSGNLKRHLR IHSGEKPYVCIHCQRQFADP GALQRHVRIHTG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Fragment _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12953.9494 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UniProt Q13105 . Q13105 . . . . . . . . . . . . . . 18806 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 1 MET . 18806 1 2 2 LYS . 18806 1 3 3 PRO . 18806 1 4 4 TYR . 18806 1 5 5 GLN . 18806 1 6 6 CYS . 18806 1 7 7 ASP . 18806 1 8 8 TYR . 18806 1 9 9 CYS . 18806 1 10 10 GLY . 18806 1 11 11 ARG . 18806 1 12 12 SER . 18806 1 13 13 PHE . 18806 1 14 14 SER . 18806 1 15 15 ASP . 18806 1 16 16 PRO . 18806 1 17 17 THR . 18806 1 18 18 SER . 18806 1 19 19 LYS . 18806 1 20 20 MET . 18806 1 21 21 ARG . 18806 1 22 22 HIS . 18806 1 23 23 LEU . 18806 1 24 24 GLU . 18806 1 25 25 THR . 18806 1 26 26 HIS . 18806 1 27 27 ASP . 18806 1 28 28 THR . 18806 1 29 29 ASP . 18806 1 30 30 LYS . 18806 1 31 31 GLU . 18806 1 32 32 HIS . 18806 1 33 33 LYS . 18806 1 34 34 CYS . 18806 1 35 35 PRO . 18806 1 36 36 HIS . 18806 1 37 37 CYS . 18806 1 38 38 ASP . 18806 1 39 39 LYS . 18806 1 40 40 LYS . 18806 1 41 41 PHE . 18806 1 42 42 ASN . 18806 1 43 43 GLN . 18806 1 44 44 VAL . 18806 1 45 45 GLY . 18806 1 46 46 ASN . 18806 1 47 47 LEU . 18806 1 48 48 LYS . 18806 1 49 49 ALA . 18806 1 50 50 HIS . 18806 1 51 51 LEU . 18806 1 52 52 LYS . 18806 1 53 53 ILE . 18806 1 54 54 HIS . 18806 1 55 55 ILE . 18806 1 56 56 ALA . 18806 1 57 57 ASP . 18806 1 58 58 GLY . 18806 1 59 59 PRO . 18806 1 60 60 LEU . 18806 1 61 61 LYS . 18806 1 62 62 CYS . 18806 1 63 63 ARG . 18806 1 64 64 GLU . 18806 1 65 65 CYS . 18806 1 66 66 GLY . 18806 1 67 67 LYS . 18806 1 68 68 GLN . 18806 1 69 69 PHE . 18806 1 70 70 THR . 18806 1 71 71 THR . 18806 1 72 72 SER . 18806 1 73 73 GLY . 18806 1 74 74 ASN . 18806 1 75 75 LEU . 18806 1 76 76 LYS . 18806 1 77 77 ARG . 18806 1 78 78 HIS . 18806 1 79 79 LEU . 18806 1 80 80 ARG . 18806 1 81 81 ILE . 18806 1 82 82 HIS . 18806 1 83 83 SER . 18806 1 84 84 GLY . 18806 1 85 85 GLU . 18806 1 86 86 LYS . 18806 1 87 87 PRO . 18806 1 88 88 TYR . 18806 1 89 89 VAL . 18806 1 90 90 CYS . 18806 1 91 91 ILE . 18806 1 92 92 HIS . 18806 1 93 93 CYS . 18806 1 94 94 GLN . 18806 1 95 95 ARG . 18806 1 96 96 GLN . 18806 1 97 97 PHE . 18806 1 98 98 ALA . 18806 1 99 99 ASP . 18806 1 100 100 PRO . 18806 1 101 101 GLY . 18806 1 102 102 ALA . 18806 1 103 103 LEU . 18806 1 104 104 GLN . 18806 1 105 105 ARG . 18806 1 106 106 HIS . 18806 1 107 107 VAL . 18806 1 108 108 ARG . 18806 1 109 109 ILE . 18806 1 110 110 HIS . 18806 1 111 111 THR . 18806 1 112 112 GLY . 18806 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18806 1 . LYS 2 2 18806 1 . PRO 3 3 18806 1 . TYR 4 4 18806 1 . GLN 5 5 18806 1 . CYS 6 6 18806 1 . ASP 7 7 18806 1 . TYR 8 8 18806 1 . CYS 9 9 18806 1 . GLY 10 10 18806 1 . ARG 11 11 18806 1 . SER 12 12 18806 1 . PHE 13 13 18806 1 . SER 14 14 18806 1 . ASP 15 15 18806 1 . PRO 16 16 18806 1 . THR 17 17 18806 1 . SER 18 18 18806 1 . LYS 19 19 18806 1 . MET 20 20 18806 1 . ARG 21 21 18806 1 . HIS 22 22 18806 1 . LEU 23 23 18806 1 . GLU 24 24 18806 1 . THR 25 25 18806 1 . HIS 26 26 18806 1 . ASP 27 27 18806 1 . THR 28 28 18806 1 . ASP 29 29 18806 1 . LYS 30 30 18806 1 . GLU 31 31 18806 1 . HIS 32 32 18806 1 . LYS 33 33 18806 1 . CYS 34 34 18806 1 . PRO 35 35 18806 1 . HIS 36 36 18806 1 . CYS 37 37 18806 1 . ASP 38 38 18806 1 . LYS 39 39 18806 1 . LYS 40 40 18806 1 . PHE 41 41 18806 1 . ASN 42 42 18806 1 . GLN 43 43 18806 1 . VAL 44 44 18806 1 . GLY 45 45 18806 1 . ASN 46 46 18806 1 . LEU 47 47 18806 1 . LYS 48 48 18806 1 . ALA 49 49 18806 1 . HIS 50 50 18806 1 . LEU 51 51 18806 1 . LYS 52 52 18806 1 . ILE 53 53 18806 1 . HIS 54 54 18806 1 . ILE 55 55 18806 1 . ALA 56 56 18806 1 . ASP 57 57 18806 1 . GLY 58 58 18806 1 . PRO 59 59 18806 1 . LEU 60 60 18806 1 . LYS 61 61 18806 1 . CYS 62 62 18806 1 . ARG 63 63 18806 1 . GLU 64 64 18806 1 . CYS 65 65 18806 1 . GLY 66 66 18806 1 . LYS 67 67 18806 1 . GLN 68 68 18806 1 . PHE 69 69 18806 1 . THR 70 70 18806 1 . THR 71 71 18806 1 . SER 72 72 18806 1 . GLY 73 73 18806 1 . ASN 74 74 18806 1 . LEU 75 75 18806 1 . LYS 76 76 18806 1 . ARG 77 77 18806 1 . HIS 78 78 18806 1 . LEU 79 79 18806 1 . ARG 80 80 18806 1 . ILE 81 81 18806 1 . HIS 82 82 18806 1 . SER 83 83 18806 1 . GLY 84 84 18806 1 . GLU 85 85 18806 1 . LYS 86 86 18806 1 . PRO 87 87 18806 1 . TYR 88 88 18806 1 . VAL 89 89 18806 1 . CYS 90 90 18806 1 . ILE 91 91 18806 1 . HIS 92 92 18806 1 . CYS 93 93 18806 1 . GLN 94 94 18806 1 . ARG 95 95 18806 1 . GLN 96 96 18806 1 . PHE 97 97 18806 1 . ALA 98 98 18806 1 . ASP 99 99 18806 1 . PRO 100 100 18806 1 . GLY 101 101 18806 1 . ALA 102 102 18806 1 . LEU 103 103 18806 1 . GLN 104 104 18806 1 . ARG 105 105 18806 1 . HIS 106 106 18806 1 . VAL 107 107 18806 1 . ARG 108 108 18806 1 . ILE 109 109 18806 1 . HIS 110 110 18806 1 . THR 111 111 18806 1 . GLY 112 112 18806 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18806 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18806 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18806 2 ZN 'Three letter code' 18806 2 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 1 ZN $chem_comp_ZN 18806 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18806 2 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 18806 _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 $Miz58 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ZBTB17 . . . . 18806 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 18806 _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 $Miz58 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 star (DE3)' . . . . . . . . . . . . . . . pET-3a . . . . . . 18806 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18806 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18806 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18806 ZN [Zn++] SMILES CACTVS 3.341 18806 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18806 ZN [Zn+2] SMILES ACDLabs 10.04 18806 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18806 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18806 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18806 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18806 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18806 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18806 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Miz58 '[U-13C; U-15N]' . . 1 $Miz58 . . 0.65 . . mM . . . . 18806 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18806 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18806 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18806 _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' 0.05 . M 18806 1 pH 7 . pH 18806 1 pressure 1 . atm 18806 1 temperature 298 . K 18806 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18806 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nilges, Rieping, Habeck, Bardiaux, Bernard and Malliavin' . . 18806 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations, refinement' 18806 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18806 _Software.ID 2 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18806 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations, refinement' 18806 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18806 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18806 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment, data analysis' 18806 3 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 18806 _Software.ID 4 _Software.Name DANGLE _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18806 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18806 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18806 _Software.ID 5 _Software.Name NMRPipe _Software.Version 7.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18806 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18806 5 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 18806 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18806 _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 Varian INOVA . 600 . . . 18806 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 18806 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 2 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 3 'Expt_5 (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 6 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18806 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 18806 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18806 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18806 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18806 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18806 _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 '3D HNCACB' . . isotropic 18806 1 2 '2D 1H-15N HSQC/HMQC' . . isotropic 18806 1 3 'Expt_5 (H[N[co[{CA|ca[C]}]]])' . . isotropic 18806 1 4 '3D HNCO' . . isotropic 18806 1 5 '3D C(CO)NH' . . isotropic 18806 1 6 '2D 1H-13C HSQC/HMQC' . . isotropic 18806 1 7 '3D HCCH-TOCSY' . . isotropic 18806 1 8 '3D 1H-15N NOESY' . . isotropic 18806 1 9 '3D 1H-15N TOCSY' . . isotropic 18806 1 10 '3D 1H-13C NOESY' . . isotropic 18806 1 11 '3D 1H-13C NOESY' . . isotropic 18806 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 MET HE1 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE1 . 18806 1 2 . 1 1 1 1 MET HE2 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE2 . 18806 1 3 . 1 1 1 1 MET HE3 H 1 1.616 0.013 . 1 . 639 . A 1 MET HE3 . 18806 1 4 . 1 1 1 1 MET CE C 13 19.935 0.024 . 1 . 638 . A 1 MET CE . 18806 1 5 . 1 1 3 3 PRO HA H 1 4.147 0.006 . 1 . 770 . A 3 PRO HA . 18806 1 6 . 1 1 3 3 PRO HB2 H 1 1.312 0.009 . 2 . 774 . A 3 PRO HB2 . 18806 1 7 . 1 1 3 3 PRO HB3 H 1 1.923 0.01 . 2 . 773 . A 3 PRO HB3 . 18806 1 8 . 1 1 3 3 PRO HG2 H 1 1.693 0.01 . 1 . 776 . A 3 PRO HG2 . 18806 1 9 . 1 1 3 3 PRO HG3 H 1 1.693 0.01 . 1 . 951 . A 3 PRO HG3 . 18806 1 10 . 1 1 3 3 PRO HD2 H 1 3.477 0.012 . 2 . 772 . A 3 PRO HD2 . 18806 1 11 . 1 1 3 3 PRO HD3 H 1 3.614 0.01 . 2 . 771 . A 3 PRO HD3 . 18806 1 12 . 1 1 3 3 PRO C C 13 176.083 . . 1 . 454 . A 3 PRO C . 18806 1 13 . 1 1 3 3 PRO CA C 13 63.415 0.077 . 1 . 93 . A 3 PRO CA . 18806 1 14 . 1 1 3 3 PRO CB C 13 31.877 0.043 . 1 . 92 . A 3 PRO CB . 18806 1 15 . 1 1 3 3 PRO CG C 13 27.125 . . 1 . 584 . A 3 PRO CG . 18806 1 16 . 1 1 3 3 PRO CD C 13 50.236 . . 1 . 585 . A 3 PRO CD . 18806 1 17 . 1 1 4 4 TYR H H 1 7.959 0.008 . 1 . 88 . A 4 TYR H . 18806 1 18 . 1 1 4 4 TYR HA H 1 4.460 0.013 . 1 . 874 . A 4 TYR HA . 18806 1 19 . 1 1 4 4 TYR HB2 H 1 2.651 0.013 . 2 . 873 . A 4 TYR HB2 . 18806 1 20 . 1 1 4 4 TYR HB3 H 1 2.825 0.012 . 2 . 872 . A 4 TYR HB3 . 18806 1 21 . 1 1 4 4 TYR HD1 H 1 6.888 0.01 . 3 . 945 . A 4 TYR HD1 . 18806 1 22 . 1 1 4 4 TYR HD2 H 1 6.888 0.01 . 3 . 945 . A 4 TYR HD2 . 18806 1 23 . 1 1 4 4 TYR HE1 H 1 6.702 0.001 . 3 . 1185 . A 4 TYR HE1 . 18806 1 24 . 1 1 4 4 TYR HE2 H 1 6.702 0.001 . 3 . 1185 . A 4 TYR HE2 . 18806 1 25 . 1 1 4 4 TYR C C 13 174.569 . . 1 . 453 . A 4 TYR C . 18806 1 26 . 1 1 4 4 TYR CA C 13 56.770 0.044 . 1 . 90 . A 4 TYR CA . 18806 1 27 . 1 1 4 4 TYR CB C 13 38.430 0.058 . 1 . 91 . A 4 TYR CB . 18806 1 28 . 1 1 4 4 TYR CD1 C 13 135.925 0.069 . 3 . 1184 . A 4 TYR CD1 . 18806 1 29 . 1 1 4 4 TYR CD2 C 13 135.925 0.069 . 3 . 1184 . A 4 TYR CD2 . 18806 1 30 . 1 1 4 4 TYR N N 15 117.838 0.034 . 1 . 89 . A 4 TYR N . 18806 1 31 . 1 1 5 5 GLN H H 1 8.544 0.008 . 1 . 84 . A 5 GLN H . 18806 1 32 . 1 1 5 5 GLN HA H 1 4.877 0.013 . 1 . 794 . A 5 GLN HA . 18806 1 33 . 1 1 5 5 GLN HB2 H 1 1.708 0.008 . 1 . 795 . A 5 GLN HB2 . 18806 1 34 . 1 1 5 5 GLN HB3 H 1 1.708 0.008 . 1 . 796 . A 5 GLN HB3 . 18806 1 35 . 1 1 5 5 GLN HG2 H 1 2.020 0.015 . 1 . 798 . A 5 GLN HG2 . 18806 1 36 . 1 1 5 5 GLN HG3 H 1 2.020 0.015 . 1 . 797 . A 5 GLN HG3 . 18806 1 37 . 1 1 5 5 GLN C C 13 175.122 . . 1 . 452 . A 5 GLN C . 18806 1 38 . 1 1 5 5 GLN CA C 13 54.558 0.078 . 1 . 86 . A 5 GLN CA . 18806 1 39 . 1 1 5 5 GLN CB C 13 31.592 0.062 . 1 . 87 . A 5 GLN CB . 18806 1 40 . 1 1 5 5 GLN CG C 13 33.813 0.038 . 1 . 583 . A 5 GLN CG . 18806 1 41 . 1 1 5 5 GLN N N 15 123.036 0.04 . 1 . 85 . A 5 GLN N . 18806 1 42 . 1 1 6 6 CYS H H 1 9.125 0.011 . 1 . 241 . A 6 CYS H . 18806 1 43 . 1 1 6 6 CYS HA H 1 4.277 0.014 . 1 . 695 . A 6 CYS HA . 18806 1 44 . 1 1 6 6 CYS HB2 H 1 3.368 0.012 . 2 . 697 . A 6 CYS HB2 . 18806 1 45 . 1 1 6 6 CYS HB3 H 1 2.863 0.013 . 2 . 696 . A 6 CYS HB3 . 18806 1 46 . 1 1 6 6 CYS C C 13 176.578 . . 1 . 451 . A 6 CYS C . 18806 1 47 . 1 1 6 6 CYS CA C 13 60.245 0.074 . 1 . 244 . A 6 CYS CA . 18806 1 48 . 1 1 6 6 CYS CB C 13 30.278 0.048 . 1 . 243 . A 6 CYS CB . 18806 1 49 . 1 1 6 6 CYS N N 15 125.821 0.031 . 1 . 242 . A 6 CYS N . 18806 1 50 . 1 1 7 7 ASP H H 1 8.738 0.014 . 1 . 237 . A 7 ASP H . 18806 1 51 . 1 1 7 7 ASP HA H 1 4.216 0.012 . 1 . 670 . A 7 ASP HA . 18806 1 52 . 1 1 7 7 ASP HB2 H 1 1.901 0.012 . 2 . 672 . A 7 ASP HB2 . 18806 1 53 . 1 1 7 7 ASP HB3 H 1 2.309 0.013 . 2 . 671 . A 7 ASP HB3 . 18806 1 54 . 1 1 7 7 ASP C C 13 175.676 . . 1 . 450 . A 7 ASP C . 18806 1 55 . 1 1 7 7 ASP CA C 13 56.350 0.063 . 1 . 239 . A 7 ASP CA . 18806 1 56 . 1 1 7 7 ASP CB C 13 40.743 0.079 . 1 . 240 . A 7 ASP CB . 18806 1 57 . 1 1 7 7 ASP N N 15 129.841 0.02 . 1 . 238 . A 7 ASP N . 18806 1 58 . 1 1 8 8 TYR H H 1 8.935 0.011 . 1 . 233 . A 8 TYR H . 18806 1 59 . 1 1 8 8 TYR HA H 1 4.240 0.007 . 1 . 781 . A 8 TYR HA . 18806 1 60 . 1 1 8 8 TYR HB2 H 1 1.752 0.01 . 2 . 1179 . A 8 TYR HB2 . 18806 1 61 . 1 1 8 8 TYR HB3 H 1 2.384 0.014 . 2 . 780 . A 8 TYR HB3 . 18806 1 62 . 1 1 8 8 TYR HD1 H 1 6.692 0.013 . 3 . 943 . A 8 TYR HD1 . 18806 1 63 . 1 1 8 8 TYR HD2 H 1 6.692 0.013 . 3 . 943 . A 8 TYR HD2 . 18806 1 64 . 1 1 8 8 TYR HE1 H 1 6.649 0.004 . 3 . 1211 . A 8 TYR HE1 . 18806 1 65 . 1 1 8 8 TYR HE2 H 1 6.649 0.004 . 3 . 1211 . A 8 TYR HE2 . 18806 1 66 . 1 1 8 8 TYR C C 13 176.440 . . 1 . 449 . A 8 TYR C . 18806 1 67 . 1 1 8 8 TYR CA C 13 59.546 0.038 . 1 . 235 . A 8 TYR CA . 18806 1 68 . 1 1 8 8 TYR CB C 13 38.060 0.079 . 1 . 236 . A 8 TYR CB . 18806 1 69 . 1 1 8 8 TYR CD1 C 13 135.572 0.061 . 3 . 1186 . A 8 TYR CD1 . 18806 1 70 . 1 1 8 8 TYR CD2 C 13 135.572 0.061 . 3 . 1186 . A 8 TYR CD2 . 18806 1 71 . 1 1 8 8 TYR CE1 C 13 121.095 0.057 . 3 . 1212 . A 8 TYR CE1 . 18806 1 72 . 1 1 8 8 TYR CE2 C 13 121.095 0.057 . 3 . 1212 . A 8 TYR CE2 . 18806 1 73 . 1 1 8 8 TYR N N 15 119.023 0.036 . 1 . 234 . A 8 TYR N . 18806 1 74 . 1 1 9 9 CYS H H 1 8.105 0.009 . 1 . 229 . A 9 CYS H . 18806 1 75 . 1 1 9 9 CYS HA H 1 5.038 0.011 . 1 . 894 . A 9 CYS HA . 18806 1 76 . 1 1 9 9 CYS HB2 H 1 2.886 0.014 . 2 . 896 . A 9 CYS HB2 . 18806 1 77 . 1 1 9 9 CYS HB3 H 1 3.342 0.011 . 2 . 895 . A 9 CYS HB3 . 18806 1 78 . 1 1 9 9 CYS C C 13 175.815 . . 1 . 448 . A 9 CYS C . 18806 1 79 . 1 1 9 9 CYS CA C 13 58.310 0.043 . 1 . 231 . A 9 CYS CA . 18806 1 80 . 1 1 9 9 CYS CB C 13 32.273 0.036 . 1 . 232 . A 9 CYS CB . 18806 1 81 . 1 1 9 9 CYS N N 15 115.815 0.047 . 1 . 230 . A 9 CYS N . 18806 1 82 . 1 1 10 10 GLY H H 1 7.985 0.013 . 1 . 82 . A 10 GLY H . 18806 1 83 . 1 1 10 10 GLY HA2 H 1 4.050 0.01 . 2 . 801 . A 10 GLY HA2 . 18806 1 84 . 1 1 10 10 GLY HA3 H 1 3.753 0.011 . 2 . 799 . A 10 GLY HA3 . 18806 1 85 . 1 1 10 10 GLY C C 13 173.932 . . 1 . 447 . A 10 GLY C . 18806 1 86 . 1 1 10 10 GLY CA C 13 46.039 0.043 . 1 . 802 . A 10 GLY CA . 18806 1 87 . 1 1 10 10 GLY N N 15 111.402 0.04 . 1 . 83 . A 10 GLY N . 18806 1 88 . 1 1 11 11 ARG H H 1 7.928 0.008 . 1 . 79 . A 11 ARG H . 18806 1 89 . 1 1 11 11 ARG HA H 1 3.928 0.014 . 1 . 699 . A 11 ARG HA . 18806 1 90 . 1 1 11 11 ARG HB2 H 1 1.197 0.015 . 2 . 708 . A 11 ARG HB2 . 18806 1 91 . 1 1 11 11 ARG HB3 H 1 1.346 0.013 . 2 . 706 . A 11 ARG HB3 . 18806 1 92 . 1 1 11 11 ARG HG2 H 1 1.668 0.015 . 2 . 710 . A 11 ARG HG2 . 18806 1 93 . 1 1 11 11 ARG HG3 H 1 1.704 0.011 . 2 . 709 . A 11 ARG HG3 . 18806 1 94 . 1 1 11 11 ARG HD2 H 1 2.752 0.014 . 2 . 701 . A 11 ARG HD2 . 18806 1 95 . 1 1 11 11 ARG HD3 H 1 2.949 0.011 . 2 . 700 . A 11 ARG HD3 . 18806 1 96 . 1 1 11 11 ARG C C 13 174.220 . . 1 . 446 . A 11 ARG C . 18806 1 97 . 1 1 11 11 ARG CA C 13 57.602 0.011 . 1 . 81 . A 11 ARG CA . 18806 1 98 . 1 1 11 11 ARG CB C 13 31.248 0.044 . 1 . 707 . A 11 ARG CB . 18806 1 99 . 1 1 11 11 ARG CG C 13 27.904 0.008 . 1 . 581 . A 11 ARG CG . 18806 1 100 . 1 1 11 11 ARG CD C 13 43.278 0.019 . 1 . 582 . A 11 ARG CD . 18806 1 101 . 1 1 11 11 ARG N N 15 122.427 0.035 . 1 . 80 . A 11 ARG N . 18806 1 102 . 1 1 12 12 SER H H 1 7.890 0.011 . 1 . 75 . A 12 SER H . 18806 1 103 . 1 1 12 12 SER HA H 1 4.896 0.009 . 1 . 1155 . A 12 SER HA . 18806 1 104 . 1 1 12 12 SER HB2 H 1 3.486 0.009 . 1 . 1156 . A 12 SER HB2 . 18806 1 105 . 1 1 12 12 SER HB3 H 1 3.486 0.009 . 1 . 1157 . A 12 SER HB3 . 18806 1 106 . 1 1 12 12 SER C C 13 172.775 . . 1 . 445 . A 12 SER C . 18806 1 107 . 1 1 12 12 SER CA C 13 57.311 0.033 . 1 . 77 . A 12 SER CA . 18806 1 108 . 1 1 12 12 SER CB C 13 65.516 0.068 . 1 . 78 . A 12 SER CB . 18806 1 109 . 1 1 12 12 SER N N 15 115.605 0.048 . 1 . 76 . A 12 SER N . 18806 1 110 . 1 1 13 13 PHE H H 1 8.392 0.01 . 1 . 67 . A 13 PHE H . 18806 1 111 . 1 1 13 13 PHE HA H 1 4.591 0.009 . 1 . 877 . A 13 PHE HA . 18806 1 112 . 1 1 13 13 PHE HB2 H 1 2.574 0.014 . 2 . 876 . A 13 PHE HB2 . 18806 1 113 . 1 1 13 13 PHE HB3 H 1 3.293 0.012 . 2 . 875 . A 13 PHE HB3 . 18806 1 114 . 1 1 13 13 PHE HD1 H 1 7.020 0.012 . 3 . 944 . A 13 PHE HD1 . 18806 1 115 . 1 1 13 13 PHE HD2 H 1 7.020 0.012 . 3 . 944 . A 13 PHE HD2 . 18806 1 116 . 1 1 13 13 PHE HZ H 1 5.872 0.004 . 1 . 1227 . A 13 PHE HZ . 18806 1 117 . 1 1 13 13 PHE C C 13 175.330 . . 1 . 444 . A 13 PHE C . 18806 1 118 . 1 1 13 13 PHE CA C 13 57.369 0.03 . 1 . 69 . A 13 PHE CA . 18806 1 119 . 1 1 13 13 PHE CB C 13 43.443 0.065 . 1 . 70 . A 13 PHE CB . 18806 1 120 . 1 1 13 13 PHE CD1 C 13 134.878 0.06 . 3 . 1216 . A 13 PHE CD1 . 18806 1 121 . 1 1 13 13 PHE CD2 C 13 134.878 0.06 . 3 . 1216 . A 13 PHE CD2 . 18806 1 122 . 1 1 13 13 PHE CZ C 13 131.642 0.0 . 1 . 1226 . A 13 PHE CZ . 18806 1 123 . 1 1 13 13 PHE N N 15 118.534 0.06 . 1 . 68 . A 13 PHE N . 18806 1 124 . 1 1 14 14 SER H H 1 9.090 0.003 . 1 . 71 . A 14 SER H . 18806 1 125 . 1 1 14 14 SER HA H 1 4.491 0.006 . 1 . 1147 . A 14 SER HA . 18806 1 126 . 1 1 14 14 SER HB2 H 1 3.940 0.013 . 1 . 1148 . A 14 SER HB2 . 18806 1 127 . 1 1 14 14 SER HB3 H 1 3.940 0.013 . 1 . 1149 . A 14 SER HB3 . 18806 1 128 . 1 1 14 14 SER C C 13 173.113 . . 1 . 443 . A 14 SER C . 18806 1 129 . 1 1 14 14 SER CA C 13 59.545 0.061 . 1 . 73 . A 14 SER CA . 18806 1 130 . 1 1 14 14 SER CB C 13 64.037 0.072 . 1 . 74 . A 14 SER CB . 18806 1 131 . 1 1 14 14 SER N N 15 114.545 0.046 . 1 . 72 . A 14 SER N . 18806 1 132 . 1 1 15 15 ASP H H 1 7.443 0.007 . 1 . 63 . A 15 ASP H . 18806 1 133 . 1 1 15 15 ASP HA H 1 4.704 0.009 . 1 . 779 . A 15 ASP HA . 18806 1 134 . 1 1 15 15 ASP HB2 H 1 2.561 0.015 . 2 . 778 . A 15 ASP HB2 . 18806 1 135 . 1 1 15 15 ASP HB3 H 1 2.724 0.012 . 2 . 777 . A 15 ASP HB3 . 18806 1 136 . 1 1 15 15 ASP CA C 13 51.697 0.049 . 1 . 65 . A 15 ASP CA . 18806 1 137 . 1 1 15 15 ASP CB C 13 42.344 0.075 . 1 . 66 . A 15 ASP CB . 18806 1 138 . 1 1 15 15 ASP N N 15 117.860 0.028 . 1 . 64 . A 15 ASP N . 18806 1 139 . 1 1 16 16 PRO HA H 1 3.556 0.011 . 1 . 1214 . A 16 PRO HA . 18806 1 140 . 1 1 16 16 PRO HB2 H 1 1.864 0.009 . 1 . 1153 . A 16 PRO HB2 . 18806 1 141 . 1 1 16 16 PRO HB3 H 1 1.864 0.009 . 1 . 1152 . A 16 PRO HB3 . 18806 1 142 . 1 1 16 16 PRO HD2 H 1 3.032 0.014 . 2 . 1151 . A 16 PRO HD2 . 18806 1 143 . 1 1 16 16 PRO HD3 H 1 3.595 0.015 . 2 . 1150 . A 16 PRO HD3 . 18806 1 144 . 1 1 16 16 PRO C C 13 178.801 . . 1 . 442 . A 16 PRO C . 18806 1 145 . 1 1 16 16 PRO CA C 13 64.377 0.038 . 1 . 158 . A 16 PRO CA . 18806 1 146 . 1 1 16 16 PRO CB C 13 31.568 0.07 . 1 . 159 . A 16 PRO CB . 18806 1 147 . 1 1 16 16 PRO CG C 13 26.727 . . 1 . 579 . A 16 PRO CG . 18806 1 148 . 1 1 16 16 PRO CD C 13 49.900 0.0 . 1 . 580 . A 16 PRO CD . 18806 1 149 . 1 1 17 17 THR H H 1 7.858 0.007 . 1 . 154 . A 17 THR H . 18806 1 150 . 1 1 17 17 THR HA H 1 3.759 0.015 . 1 . 627 . A 17 THR HA . 18806 1 151 . 1 1 17 17 THR HB H 1 4.031 0.009 . 1 . 626 . A 17 THR HB . 18806 1 152 . 1 1 17 17 THR HG21 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG21 . 18806 1 153 . 1 1 17 17 THR HG22 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG22 . 18806 1 154 . 1 1 17 17 THR HG23 H 1 1.038 0.013 . 1 . 625 . A 17 THR HG23 . 18806 1 155 . 1 1 17 17 THR C C 13 176.424 . . 1 . 441 . A 17 THR C . 18806 1 156 . 1 1 17 17 THR CA C 13 66.554 0.065 . 1 . 156 . A 17 THR CA . 18806 1 157 . 1 1 17 17 THR CB C 13 67.664 0.057 . 1 . 157 . A 17 THR CB . 18806 1 158 . 1 1 17 17 THR CG2 C 13 21.805 0.071 . 1 . 578 . A 17 THR CG2 . 18806 1 159 . 1 1 17 17 THR N N 15 117.621 0.047 . 1 . 155 . A 17 THR N . 18806 1 160 . 1 1 18 18 SER H H 1 8.654 0.006 . 1 . 259 . A 18 SER H . 18806 1 161 . 1 1 18 18 SER HA H 1 3.871 0.008 . 1 . 1144 . A 18 SER HA . 18806 1 162 . 1 1 18 18 SER HB2 H 1 3.799 0.013 . 1 . 1146 . A 18 SER HB2 . 18806 1 163 . 1 1 18 18 SER HB3 H 1 3.799 0.013 . 1 . 1145 . A 18 SER HB3 . 18806 1 164 . 1 1 18 18 SER C C 13 177.038 . . 1 . 440 . A 18 SER C . 18806 1 165 . 1 1 18 18 SER CA C 13 61.906 0.051 . 1 . 261 . A 18 SER CA . 18806 1 166 . 1 1 18 18 SER CB C 13 61.877 0.016 . 1 . 1180 . A 18 SER CB . 18806 1 167 . 1 1 18 18 SER N N 15 119.883 0.026 . 1 . 260 . A 18 SER N . 18806 1 168 . 1 1 19 19 LYS H H 1 6.760 0.009 . 1 . 341 . A 19 LYS H . 18806 1 169 . 1 1 19 19 LYS HA H 1 2.613 0.007 . 1 . 1215 . A 19 LYS HA . 18806 1 170 . 1 1 19 19 LYS HB2 H 1 1.396 0.014 . 2 . 1161 . A 19 LYS HB2 . 18806 1 171 . 1 1 19 19 LYS HB3 H 1 1.593 0.014 . 2 . 1160 . A 19 LYS HB3 . 18806 1 172 . 1 1 19 19 LYS HG2 H 1 0.997 0.008 . 1 . 1162 . A 19 LYS HG2 . 18806 1 173 . 1 1 19 19 LYS HG3 H 1 0.997 0.008 . 1 . 1163 . A 19 LYS HG3 . 18806 1 174 . 1 1 19 19 LYS HE2 H 1 2.793 0.012 . 1 . 1182 . A 19 LYS HE2 . 18806 1 175 . 1 1 19 19 LYS HE3 H 1 2.793 0.012 . 1 . 1181 . A 19 LYS HE3 . 18806 1 176 . 1 1 19 19 LYS C C 13 176.639 . . 1 . 482 . A 19 LYS C . 18806 1 177 . 1 1 19 19 LYS CA C 13 59.487 0.059 . 1 . 343 . A 19 LYS CA . 18806 1 178 . 1 1 19 19 LYS CB C 13 31.586 0.011 . 1 . 344 . A 19 LYS CB . 18806 1 179 . 1 1 19 19 LYS CG C 13 25.300 0.002 . 1 . 575 . A 19 LYS CG . 18806 1 180 . 1 1 19 19 LYS CD C 13 28.802 . . 1 . 576 . A 19 LYS CD . 18806 1 181 . 1 1 19 19 LYS CE C 13 43.094 . . 1 . 577 . A 19 LYS CE . 18806 1 182 . 1 1 19 19 LYS N N 15 121.563 0.025 . 1 . 342 . A 19 LYS N . 18806 1 183 . 1 1 20 20 MET H H 1 7.831 0.01 . 1 . 480 . A 20 MET H . 18806 1 184 . 1 1 20 20 MET HA H 1 3.927 0.012 . 1 . 763 . A 20 MET HA . 18806 1 185 . 1 1 20 20 MET HB2 H 1 2.527 0.014 . 2 . 762 . A 20 MET HB2 . 18806 1 186 . 1 1 20 20 MET HB3 H 1 2.496 0.014 . 2 . 761 . A 20 MET HB3 . 18806 1 187 . 1 1 20 20 MET HG2 H 1 2.049 0.013 . 1 . 760 . A 20 MET HG2 . 18806 1 188 . 1 1 20 20 MET HG3 H 1 2.049 0.013 . 1 . 759 . A 20 MET HG3 . 18806 1 189 . 1 1 20 20 MET HE1 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE1 . 18806 1 190 . 1 1 20 20 MET HE2 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE2 . 18806 1 191 . 1 1 20 20 MET HE3 H 1 1.933 0.014 . 1 . 606 . A 20 MET HE3 . 18806 1 192 . 1 1 20 20 MET C C 13 178.910 . . 1 . 439 . A 20 MET C . 18806 1 193 . 1 1 20 20 MET CA C 13 58.719 0.028 . 1 . 354 . A 20 MET CA . 18806 1 194 . 1 1 20 20 MET CB C 13 31.756 0.074 . 1 . 353 . A 20 MET CB . 18806 1 195 . 1 1 20 20 MET CG C 13 31.692 0.036 . 1 . 574 . A 20 MET CG . 18806 1 196 . 1 1 20 20 MET CE C 13 16.780 0.058 . 1 . 607 . A 20 MET CE . 18806 1 197 . 1 1 20 20 MET N N 15 118.908 0.012 . 1 . 481 . A 20 MET N . 18806 1 198 . 1 1 21 21 ARG H H 1 8.066 0.01 . 1 . 351 . A 21 ARG H . 18806 1 199 . 1 1 21 21 ARG HA H 1 3.905 0.008 . 1 . 968 . A 21 ARG HA . 18806 1 200 . 1 1 21 21 ARG HB2 H 1 1.648 0.015 . 1 . 947 . A 21 ARG HB2 . 18806 1 201 . 1 1 21 21 ARG HB3 H 1 1.648 0.015 . 1 . 946 . A 21 ARG HB3 . 18806 1 202 . 1 1 21 21 ARG HG2 H 1 1.513 0.01 . 1 . 948 . A 21 ARG HG2 . 18806 1 203 . 1 1 21 21 ARG HG3 H 1 1.513 0.01 . 1 . 949 . A 21 ARG HG3 . 18806 1 204 . 1 1 21 21 ARG HD2 H 1 2.995 0.015 . 1 . 969 . A 21 ARG HD2 . 18806 1 205 . 1 1 21 21 ARG HD3 H 1 2.995 0.015 . 1 . 970 . A 21 ARG HD3 . 18806 1 206 . 1 1 21 21 ARG C C 13 179.107 . . 1 . 438 . A 21 ARG C . 18806 1 207 . 1 1 21 21 ARG CA C 13 58.807 0.029 . 1 . 280 . A 21 ARG CA . 18806 1 208 . 1 1 21 21 ARG CB C 13 30.101 0.061 . 1 . 279 . A 21 ARG CB . 18806 1 209 . 1 1 21 21 ARG CG C 13 27.802 0.004 . 1 . 572 . A 21 ARG CG . 18806 1 210 . 1 1 21 21 ARG CD C 13 43.078 . . 1 . 573 . A 21 ARG CD . 18806 1 211 . 1 1 21 21 ARG N N 15 118.164 0.029 . 1 . 352 . A 21 ARG N . 18806 1 212 . 1 1 22 22 HIS H H 1 7.374 0.008 . 1 . 268 . A 22 HIS H . 18806 1 213 . 1 1 22 22 HIS HA H 1 4.167 0.01 . 1 . 910 . A 22 HIS HA . 18806 1 214 . 1 1 22 22 HIS HB2 H 1 2.715 0.011 . 2 . 912 . A 22 HIS HB2 . 18806 1 215 . 1 1 22 22 HIS HB3 H 1 2.858 0.011 . 2 . 911 . A 22 HIS HB3 . 18806 1 216 . 1 1 22 22 HIS HD2 H 1 6.966 0.004 . 1 . 1191 . A 22 HIS HD2 . 18806 1 217 . 1 1 22 22 HIS C C 13 178.014 . . 1 . 479 . A 22 HIS C . 18806 1 218 . 1 1 22 22 HIS CA C 13 58.912 0.066 . 1 . 207 . A 22 HIS CA . 18806 1 219 . 1 1 22 22 HIS CB C 13 27.921 0.078 . 1 . 208 . A 22 HIS CB . 18806 1 220 . 1 1 22 22 HIS CD2 C 13 130.823 0.0 . 1 . 1192 . A 22 HIS CD2 . 18806 1 221 . 1 1 22 22 HIS N N 15 117.794 0.023 . 1 . 269 . A 22 HIS N . 18806 1 222 . 1 1 23 23 LEU H H 1 8.385 0.01 . 1 . 477 . A 23 LEU H . 18806 1 223 . 1 1 23 23 LEU HA H 1 3.784 0.013 . 1 . 647 . A 23 LEU HA . 18806 1 224 . 1 1 23 23 LEU HB2 H 1 1.598 0.014 . 2 . 649 . A 23 LEU HB2 . 18806 1 225 . 1 1 23 23 LEU HB3 H 1 1.912 0.012 . 2 . 648 . A 23 LEU HB3 . 18806 1 226 . 1 1 23 23 LEU HD11 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD11 . 18806 1 227 . 1 1 23 23 LEU HD12 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD12 . 18806 1 228 . 1 1 23 23 LEU HD13 H 1 1.146 0.014 . 2 . 650 . A 23 LEU HD13 . 18806 1 229 . 1 1 23 23 LEU HD21 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD21 . 18806 1 230 . 1 1 23 23 LEU HD22 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD22 . 18806 1 231 . 1 1 23 23 LEU HD23 H 1 1.002 0.013 . 2 . 651 . A 23 LEU HD23 . 18806 1 232 . 1 1 23 23 LEU C C 13 179.021 . . 1 . 476 . A 23 LEU C . 18806 1 233 . 1 1 23 23 LEU CA C 13 58.592 0.067 . 1 . 474 . A 23 LEU CA . 18806 1 234 . 1 1 23 23 LEU CB C 13 41.658 0.064 . 1 . 475 . A 23 LEU CB . 18806 1 235 . 1 1 23 23 LEU CD1 C 13 24.716 0.047 . 2 . 570 . A 23 LEU CD1 . 18806 1 236 . 1 1 23 23 LEU CD2 C 13 25.930 0.044 . 2 . 571 . A 23 LEU CD2 . 18806 1 237 . 1 1 23 23 LEU N N 15 122.319 0.052 . 1 . 478 . A 23 LEU N . 18806 1 238 . 1 1 24 24 GLU H H 1 7.122 0.012 . 1 . 472 . A 24 GLU H . 18806 1 239 . 1 1 24 24 GLU HA H 1 3.992 0.012 . 1 . 673 . A 24 GLU HA . 18806 1 240 . 1 1 24 24 GLU HB2 H 1 1.983 0.011 . 1 . 674 . A 24 GLU HB2 . 18806 1 241 . 1 1 24 24 GLU HB3 H 1 1.983 0.011 . 1 . 675 . A 24 GLU HB3 . 18806 1 242 . 1 1 24 24 GLU HG2 H 1 2.200 0.014 . 2 . 677 . A 24 GLU HG2 . 18806 1 243 . 1 1 24 24 GLU HG3 H 1 2.400 0.011 . 2 . 676 . A 24 GLU HG3 . 18806 1 244 . 1 1 24 24 GLU C C 13 178.251 . . 1 . 437 . A 24 GLU C . 18806 1 245 . 1 1 24 24 GLU CA C 13 58.329 0.058 . 1 . 290 . A 24 GLU CA . 18806 1 246 . 1 1 24 24 GLU CB C 13 29.417 0.073 . 1 . 291 . A 24 GLU CB . 18806 1 247 . 1 1 24 24 GLU CG C 13 36.091 0.055 . 1 . 569 . A 24 GLU CG . 18806 1 248 . 1 1 24 24 GLU N N 15 116.297 0.04 . 1 . 473 . A 24 GLU N . 18806 1 249 . 1 1 25 25 THR H H 1 7.557 0.01 . 1 . 288 . A 25 THR H . 18806 1 250 . 1 1 25 25 THR HA H 1 4.010 0.013 . 1 . 622 . A 25 THR HA . 18806 1 251 . 1 1 25 25 THR HB H 1 3.921 0.014 . 1 . 623 . A 25 THR HB . 18806 1 252 . 1 1 25 25 THR HG21 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG21 . 18806 1 253 . 1 1 25 25 THR HG22 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG22 . 18806 1 254 . 1 1 25 25 THR HG23 H 1 1.091 0.015 . 1 . 624 . A 25 THR HG23 . 18806 1 255 . 1 1 25 25 THR C C 13 175.170 . . 1 . 436 . A 25 THR C . 18806 1 256 . 1 1 25 25 THR CA C 13 63.499 0.059 . 1 . 286 . A 25 THR CA . 18806 1 257 . 1 1 25 25 THR CB C 13 69.177 0.074 . 1 . 287 . A 25 THR CB . 18806 1 258 . 1 1 25 25 THR CG2 C 13 21.666 0.065 . 1 . 568 . A 25 THR CG2 . 18806 1 259 . 1 1 25 25 THR N N 15 108.890 0.04 . 1 . 289 . A 25 THR N . 18806 1 260 . 1 1 26 26 HIS H H 1 7.072 0.013 . 1 . 282 . A 26 HIS H . 18806 1 261 . 1 1 26 26 HIS HA H 1 4.467 . . 1 . 1164 . A 26 HIS HA . 18806 1 262 . 1 1 26 26 HIS HB2 H 1 2.480 0.006 . 2 . 1190 . A 26 HIS HB2 . 18806 1 263 . 1 1 26 26 HIS HB3 H 1 2.656 0.012 . 2 . 1189 . A 26 HIS HB3 . 18806 1 264 . 1 1 26 26 HIS HD2 H 1 6.443 0.006 . 1 . 1213 . A 26 HIS HD2 . 18806 1 265 . 1 1 26 26 HIS HE1 H 1 7.922 0.006 . 1 . 1193 . A 26 HIS HE1 . 18806 1 266 . 1 1 26 26 HIS CA C 13 55.261 . . 1 . 285 . A 26 HIS CA . 18806 1 267 . 1 1 26 26 HIS CB C 13 28.642 0.039 . 1 . 284 . A 26 HIS CB . 18806 1 268 . 1 1 26 26 HIS CD2 C 13 130.448 0.078 . 1 . 1188 . A 26 HIS CD2 . 18806 1 269 . 1 1 26 26 HIS CE1 C 13 142.848 0.001 . 1 . 1194 . A 26 HIS CE1 . 18806 1 270 . 1 1 26 26 HIS N N 15 118.044 0.05 . 1 . 283 . A 26 HIS N . 18806 1 271 . 1 1 33 33 LYS HB2 H 1 1.624 . . 1 . 1141 . . 33 LYS HB2 . 18806 1 272 . 1 1 33 33 LYS HB3 H 1 1.624 . . 1 . 1140 . . 33 LYS HB3 . 18806 1 273 . 1 1 33 33 LYS HG2 H 1 1.118 . . 1 . 1143 . . 33 LYS HG2 . 18806 1 274 . 1 1 33 33 LYS HG3 H 1 1.118 . . 1 . 1142 . . 33 LYS HG3 . 18806 1 275 . 1 1 33 33 LYS HD2 H 1 1.379 . . 1 . 1139 . . 33 LYS HD2 . 18806 1 276 . 1 1 33 33 LYS HD3 H 1 1.379 . . 1 . 1138 . . 33 LYS HD3 . 18806 1 277 . 1 1 33 33 LYS HE2 H 1 2.805 . . 1 . 1137 . . 33 LYS HE2 . 18806 1 278 . 1 1 33 33 LYS HE3 H 1 2.805 . . 1 . 1136 . . 33 LYS HE3 . 18806 1 279 . 1 1 33 33 LYS C C 13 175.338 . . 1 . 435 . . 33 LYS C . 18806 1 280 . 1 1 33 33 LYS CA C 13 55.275 . . 1 . 348 . . 33 LYS CA . 18806 1 281 . 1 1 33 33 LYS CB C 13 34.112 . . 1 . 349 . . 33 LYS CB . 18806 1 282 . 1 1 33 33 LYS CG C 13 24.468 . . 1 . 565 . . 33 LYS CG . 18806 1 283 . 1 1 33 33 LYS CD C 13 28.650 . . 1 . 566 . . 33 LYS CD . 18806 1 284 . 1 1 33 33 LYS CE C 13 41.702 . . 1 . 567 . . 33 LYS CE . 18806 1 285 . 1 1 34 34 CYS H H 1 8.821 0.011 . 1 . 345 . . 34 CYS H . 18806 1 286 . 1 1 34 34 CYS HB2 H 1 2.705 . . 2 . 1234 . . 34 CYS HB2 . 18806 1 287 . 1 1 34 34 CYS HB3 H 1 3.313 . . 2 . 1233 . . 34 CYS HB3 . 18806 1 288 . 1 1 34 34 CYS CA C 13 57.333 . . 1 . 347 . . 34 CYS CA . 18806 1 289 . 1 1 34 34 CYS CB C 13 30.249 . . 1 . 350 . . 34 CYS CB . 18806 1 290 . 1 1 34 34 CYS N N 15 128.949 0.043 . 1 . 346 . . 34 CYS N . 18806 1 291 . 1 1 35 35 PRO HA H 1 4.338 . . 1 . 1131 . . 35 PRO HA . 18806 1 292 . 1 1 35 35 PRO HB2 H 1 2.415 . . 1 . 1133 . . 35 PRO HB2 . 18806 1 293 . 1 1 35 35 PRO HB3 H 1 2.415 . . 1 . 1132 . . 35 PRO HB3 . 18806 1 294 . 1 1 35 35 PRO HG2 H 1 2.017 0.009 . 1 . 1135 . . 35 PRO HG2 . 18806 1 295 . 1 1 35 35 PRO HG3 H 1 2.017 0.009 . 1 . 1134 . . 35 PRO HG3 . 18806 1 296 . 1 1 35 35 PRO C C 13 176.839 . . 1 . 492 . . 35 PRO C . 18806 1 297 . 1 1 35 35 PRO CA C 13 63.542 0.035 . 1 . 491 . . 35 PRO CA . 18806 1 298 . 1 1 35 35 PRO CB C 13 31.808 0.02 . 1 . 490 . . 35 PRO CB . 18806 1 299 . 1 1 35 35 PRO CG C 13 26.094 . . 1 . 563 . . 35 PRO CG . 18806 1 300 . 1 1 35 35 PRO CD C 13 50.726 . . 1 . 564 . . 35 PRO CD . 18806 1 301 . 1 1 36 36 HIS H H 1 9.104 0.007 . 1 . 486 . . 36 HIS H . 18806 1 302 . 1 1 36 36 HIS CA C 13 55.905 . . 1 . 488 . . 36 HIS CA . 18806 1 303 . 1 1 36 36 HIS CB C 13 29.729 . . 1 . 489 . . 36 HIS CB . 18806 1 304 . 1 1 36 36 HIS N N 15 118.804 0.039 . 1 . 487 . . 36 HIS N . 18806 1 305 . 1 1 37 37 CYS C C 13 173.009 . . 1 . 891 . . 37 CYS C . 18806 1 306 . 1 1 38 38 ASP H H 1 7.983 0.005 . 1 . 890 . . 38 ASP H . 18806 1 307 . 1 1 38 38 ASP C C 13 175.924 . . 1 . 469 . . 38 ASP C . 18806 1 308 . 1 1 38 38 ASP CA C 13 55.540 0.025 . 1 . 471 . . 38 ASP CA . 18806 1 309 . 1 1 38 38 ASP CB C 13 40.725 0.06 . 1 . 470 . . 38 ASP CB . 18806 1 310 . 1 1 38 38 ASP N N 15 115.754 0.018 . 1 . 889 . . 38 ASP N . 18806 1 311 . 1 1 39 39 LYS H H 1 8.148 0.01 . 1 . 467 . . 39 LYS H . 18806 1 312 . 1 1 39 39 LYS HA H 1 3.822 0.014 . 1 . 1123 . . 39 LYS HA . 18806 1 313 . 1 1 39 39 LYS HB2 H 1 1.280 0.006 . 1 . 1165 . . 39 LYS HB2 . 18806 1 314 . 1 1 39 39 LYS HB3 H 1 1.280 0.006 . 1 . 1166 . . 39 LYS HB3 . 18806 1 315 . 1 1 39 39 LYS HG2 H 1 1.029 0.006 . 1 . 1128 . . 39 LYS HG2 . 18806 1 316 . 1 1 39 39 LYS HG3 H 1 1.029 0.006 . 1 . 1129 . . 39 LYS HG3 . 18806 1 317 . 1 1 39 39 LYS HD2 H 1 1.310 0.014 . 1 . 1127 . . 39 LYS HD2 . 18806 1 318 . 1 1 39 39 LYS HD3 H 1 1.310 0.014 . 1 . 1126 . . 39 LYS HD3 . 18806 1 319 . 1 1 39 39 LYS HE2 H 1 2.812 0.011 . 2 . 1125 . . 39 LYS HE2 . 18806 1 320 . 1 1 39 39 LYS HE3 H 1 3.085 0.0 . 2 . 1124 . . 39 LYS HE3 . 18806 1 321 . 1 1 39 39 LYS C C 13 174.515 . . 1 . 466 . . 39 LYS C . 18806 1 322 . 1 1 39 39 LYS CA C 13 57.889 0.053 . 1 . 464 . . 39 LYS CA . 18806 1 323 . 1 1 39 39 LYS CB C 13 33.464 0.051 . 1 . 465 . . 39 LYS CB . 18806 1 324 . 1 1 39 39 LYS CG C 13 26.009 0.02 . 1 . 560 . . 39 LYS CG . 18806 1 325 . 1 1 39 39 LYS CD C 13 28.700 0.0 . 1 . 561 . . 39 LYS CD . 18806 1 326 . 1 1 39 39 LYS CE C 13 42.555 . . 1 . 562 . . 39 LYS CE . 18806 1 327 . 1 1 39 39 LYS N N 15 122.198 0.057 . 1 . 468 . . 39 LYS N . 18806 1 328 . 1 1 40 40 LYS H H 1 7.597 0.006 . 1 . 461 . . 40 LYS H . 18806 1 329 . 1 1 40 40 LYS C C 13 175.043 . . 1 . 460 . . 40 LYS C . 18806 1 330 . 1 1 40 40 LYS CA C 13 54.586 0.073 . 1 . 463 . . 40 LYS CA . 18806 1 331 . 1 1 40 40 LYS CB C 13 35.293 0.046 . 1 . 459 . . 40 LYS CB . 18806 1 332 . 1 1 40 40 LYS CG C 13 24.785 . . 1 . 558 . . 40 LYS CG . 18806 1 333 . 1 1 40 40 LYS CD C 13 29.274 . . 1 . 559 . . 40 LYS CD . 18806 1 334 . 1 1 40 40 LYS N N 15 118.804 0.053 . 1 . 462 . . 40 LYS N . 18806 1 335 . 1 1 41 41 PHE H H 1 8.395 0.011 . 1 . 455 . . 41 PHE H . 18806 1 336 . 1 1 41 41 PHE HD1 H 1 7.095 0.006 . 3 . 1207 . . 41 PHE HD1 . 18806 1 337 . 1 1 41 41 PHE HD2 H 1 7.095 0.006 . 3 . 1207 . . 41 PHE HD2 . 18806 1 338 . 1 1 41 41 PHE HE1 H 1 6.713 0.005 . 3 . 1206 . . 41 PHE HE1 . 18806 1 339 . 1 1 41 41 PHE HE2 H 1 6.713 0.005 . 3 . 1206 . . 41 PHE HE2 . 18806 1 340 . 1 1 41 41 PHE HZ H 1 6.140 0.006 . 1 . 1205 . . 41 PHE HZ . 18806 1 341 . 1 1 41 41 PHE CA C 13 57.208 . . 1 . 457 . . 41 PHE CA . 18806 1 342 . 1 1 41 41 PHE CB C 13 43.475 . . 1 . 458 . . 41 PHE CB . 18806 1 343 . 1 1 41 41 PHE CD1 C 13 135.112 . . 3 . 1210 . . 41 PHE CD1 . 18806 1 344 . 1 1 41 41 PHE CD2 C 13 135.112 . . 3 . 1210 . . 41 PHE CD2 . 18806 1 345 . 1 1 41 41 PHE CE1 C 13 133.781 0.005 . 3 . 1208 . . 41 PHE CE1 . 18806 1 346 . 1 1 41 41 PHE CE2 C 13 133.781 0.005 . 3 . 1208 . . 41 PHE CE2 . 18806 1 347 . 1 1 41 41 PHE CZ C 13 131.989 0.056 . 1 . 1204 . . 41 PHE CZ . 18806 1 348 . 1 1 41 41 PHE N N 15 117.050 0.044 . 1 . 456 . . 41 PHE N . 18806 1 349 . 1 1 42 42 ASN HA H 1 4.190 0.002 . 1 . 1122 . . 42 ASN HA . 18806 1 350 . 1 1 42 42 ASN HB2 H 1 2.120 0.01 . 1 . 1121 . . 42 ASN HB2 . 18806 1 351 . 1 1 42 42 ASN HB3 H 1 2.120 0.01 . 1 . 1120 . . 42 ASN HB3 . 18806 1 352 . 1 1 42 42 ASN C C 13 174.947 . . 1 . 499 . . 42 ASN C . 18806 1 353 . 1 1 42 42 ASN CA C 13 55.807 0.01 . 1 . 496 . . 42 ASN CA . 18806 1 354 . 1 1 42 42 ASN CB C 13 42.016 . . 1 . 497 . . 42 ASN CB . 18806 1 355 . 1 1 43 43 GLN H H 1 7.740 0.013 . 1 . 494 . . 43 GLN H . 18806 1 356 . 1 1 43 43 GLN HG2 H 1 2.304 . . 1 . 1119 . . 43 GLN HG2 . 18806 1 357 . 1 1 43 43 GLN HG3 H 1 2.304 . . 1 . 1118 . . 43 GLN HG3 . 18806 1 358 . 1 1 43 43 GLN CA C 13 58.492 . . 1 . 495 . . 43 GLN CA . 18806 1 359 . 1 1 43 43 GLN CB C 13 30.330 . . 1 . 498 . . 43 GLN CB . 18806 1 360 . 1 1 43 43 GLN N N 15 118.321 0.06 . 1 . 493 . . 43 GLN N . 18806 1 361 . 1 1 44 44 VAL H H 1 8.859 . . 1 . 1116 . . 44 VAL H . 18806 1 362 . 1 1 44 44 VAL HG11 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG11 . 18806 1 363 . 1 1 44 44 VAL HG12 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG12 . 18806 1 364 . 1 1 44 44 VAL HG13 H 1 0.600 0.012 . 1 . 1115 . . 44 VAL HG13 . 18806 1 365 . 1 1 44 44 VAL HG21 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG21 . 18806 1 366 . 1 1 44 44 VAL HG22 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG22 . 18806 1 367 . 1 1 44 44 VAL HG23 H 1 0.600 0.012 . 1 . 1114 . . 44 VAL HG23 . 18806 1 368 . 1 1 44 44 VAL C C 13 177.340 . . 1 . 434 . . 44 VAL C . 18806 1 369 . 1 1 44 44 VAL CA C 13 65.759 . . 1 . 278 . . 44 VAL CA . 18806 1 370 . 1 1 44 44 VAL CB C 13 31.018 . . 1 . 277 . . 44 VAL CB . 18806 1 371 . 1 1 44 44 VAL N N 15 125.715 . . 1 . 1117 . . 44 VAL N . 18806 1 372 . 1 1 45 45 GLY H H 1 8.870 0.01 . 1 . 271 . . 45 GLY H . 18806 1 373 . 1 1 45 45 GLY HA2 H 1 3.563 0.006 . 2 . 806 . . 45 GLY HA2 . 18806 1 374 . 1 1 45 45 GLY HA3 H 1 3.765 0.014 . 2 . 805 . . 45 GLY HA3 . 18806 1 375 . 1 1 45 45 GLY C C 13 176.706 . . 1 . 406 . . 45 GLY C . 18806 1 376 . 1 1 45 45 GLY CA C 13 46.901 0.019 . 1 . 47 . . 45 GLY CA . 18806 1 377 . 1 1 45 45 GLY N N 15 108.836 0.06 . 1 . 272 . . 45 GLY N . 18806 1 378 . 1 1 46 46 ASN H H 1 6.995 0.006 . 1 . 110 . . 46 ASN H . 18806 1 379 . 1 1 46 46 ASN HA H 1 4.441 0.015 . 1 . 1113 . . 46 ASN HA . 18806 1 380 . 1 1 46 46 ASN HB2 H 1 2.816 0.013 . 1 . 1112 . . 46 ASN HB2 . 18806 1 381 . 1 1 46 46 ASN HB3 H 1 2.816 0.013 . 1 . 868 . . 46 ASN HB3 . 18806 1 382 . 1 1 46 46 ASN C C 13 177.372 . . 1 . 405 . . 46 ASN C . 18806 1 383 . 1 1 46 46 ASN CA C 13 54.836 0.064 . 1 . 112 . . 46 ASN CA . 18806 1 384 . 1 1 46 46 ASN CB C 13 37.777 0.041 . 1 . 113 . . 46 ASN CB . 18806 1 385 . 1 1 46 46 ASN N N 15 118.342 0.044 . 1 . 111 . . 46 ASN N . 18806 1 386 . 1 1 47 47 LEU H H 1 6.876 0.012 . 1 . 114 . . 47 LEU H . 18806 1 387 . 1 1 47 47 LEU HA H 1 2.937 0.011 . 1 . 1106 . . 47 LEU HA . 18806 1 388 . 1 1 47 47 LEU HB2 H 1 1.866 0.015 . 2 . 1111 . . 47 LEU HB2 . 18806 1 389 . 1 1 47 47 LEU HB3 H 1 1.071 0.013 . 2 . 1109 . . 47 LEU HB3 . 18806 1 390 . 1 1 47 47 LEU HG H 1 1.315 0.014 . 1 . 1110 . . 47 LEU HG . 18806 1 391 . 1 1 47 47 LEU HD11 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD11 . 18806 1 392 . 1 1 47 47 LEU HD12 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD12 . 18806 1 393 . 1 1 47 47 LEU HD13 H 1 0.822 0.013 . 1 . 1107 . . 47 LEU HD13 . 18806 1 394 . 1 1 47 47 LEU HD21 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD21 . 18806 1 395 . 1 1 47 47 LEU HD22 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD22 . 18806 1 396 . 1 1 47 47 LEU HD23 H 1 0.822 0.013 . 1 . 1108 . . 47 LEU HD23 . 18806 1 397 . 1 1 47 47 LEU C C 13 177.264 . . 1 . 404 . . 47 LEU C . 18806 1 398 . 1 1 47 47 LEU CA C 13 57.847 0.039 . 1 . 116 . . 47 LEU CA . 18806 1 399 . 1 1 47 47 LEU CB C 13 39.999 0.032 . 1 . 117 . . 47 LEU CB . 18806 1 400 . 1 1 47 47 LEU CG C 13 26.208 . . 1 . 532 . . 47 LEU CG . 18806 1 401 . 1 1 47 47 LEU CD1 C 13 23.478 . . 1 . 793 . . 47 LEU CD1 . 18806 1 402 . 1 1 47 47 LEU CD2 C 13 23.478 . . 1 . 533 . . 47 LEU CD2 . 18806 1 403 . 1 1 47 47 LEU N N 15 123.407 0.057 . 1 . 115 . . 47 LEU N . 18806 1 404 . 1 1 48 48 LYS H H 1 8.180 0.009 . 1 . 118 . . 48 LYS H . 18806 1 405 . 1 1 48 48 LYS HA H 1 3.665 0.011 . 1 . 1097 . . 48 LYS HA . 18806 1 406 . 1 1 48 48 LYS HB2 H 1 1.680 0.009 . 1 . 1101 . . 48 LYS HB2 . 18806 1 407 . 1 1 48 48 LYS HB3 H 1 1.680 0.009 . 1 . 1100 . . 48 LYS HB3 . 18806 1 408 . 1 1 48 48 LYS HG2 H 1 1.226 0.003 . 1 . 1102 . . 48 LYS HG2 . 18806 1 409 . 1 1 48 48 LYS HG3 H 1 1.226 0.003 . 1 . 1103 . . 48 LYS HG3 . 18806 1 410 . 1 1 48 48 LYS HD2 H 1 1.458 0.01 . 1 . 1105 . . 48 LYS HD2 . 18806 1 411 . 1 1 48 48 LYS HD3 H 1 1.458 0.01 . 1 . 1104 . . 48 LYS HD3 . 18806 1 412 . 1 1 48 48 LYS HE2 H 1 2.733 0.004 . 1 . 1098 . . 48 LYS HE2 . 18806 1 413 . 1 1 48 48 LYS HE3 H 1 2.733 0.004 . 1 . 1099 . . 48 LYS HE3 . 18806 1 414 . 1 1 48 48 LYS C C 13 178.767 . . 1 . 430 . . 48 LYS C . 18806 1 415 . 1 1 48 48 LYS CA C 13 59.956 0.018 . 1 . 791 . . 48 LYS CA . 18806 1 416 . 1 1 48 48 LYS CB C 13 31.843 0.059 . 1 . 792 . . 48 LYS CB . 18806 1 417 . 1 1 48 48 LYS CG C 13 25.703 0.008 . 1 . 553 . . 48 LYS CG . 18806 1 418 . 1 1 48 48 LYS CD C 13 29.097 0.009 . 1 . 554 . . 48 LYS CD . 18806 1 419 . 1 1 48 48 LYS CE C 13 42.424 0.042 . 1 . 555 . . 48 LYS CE . 18806 1 420 . 1 1 48 48 LYS N N 15 117.891 0.044 . 1 . 119 . . 48 LYS N . 18806 1 421 . 1 1 49 49 ALA H H 1 7.193 0.011 . 1 . 55 . . 49 ALA H . 18806 1 422 . 1 1 49 49 ALA HA H 1 3.946 0.011 . 1 . 608 . . 49 ALA HA . 18806 1 423 . 1 1 49 49 ALA HB1 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB1 . 18806 1 424 . 1 1 49 49 ALA HB2 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB2 . 18806 1 425 . 1 1 49 49 ALA HB3 H 1 1.304 0.013 . 1 . 609 . . 49 ALA HB3 . 18806 1 426 . 1 1 49 49 ALA C C 13 179.732 . . 1 . 429 . . 49 ALA C . 18806 1 427 . 1 1 49 49 ALA CA C 13 54.564 0.067 . 1 . 58 . . 49 ALA CA . 18806 1 428 . 1 1 49 49 ALA CB C 13 18.174 0.051 . 1 . 57 . . 49 ALA CB . 18806 1 429 . 1 1 49 49 ALA N N 15 119.002 0.03 . 1 . 56 . . 49 ALA N . 18806 1 430 . 1 1 50 50 HIS H H 1 7.324 0.009 . 1 . 59 . . 50 HIS H . 18806 1 431 . 1 1 50 50 HIS HA H 1 4.083 0.015 . 1 . 906 . . 50 HIS HA . 18806 1 432 . 1 1 50 50 HIS HB2 H 1 3.055 0.014 . 2 . 905 . . 50 HIS HB2 . 18806 1 433 . 1 1 50 50 HIS HB3 H 1 2.825 0.012 . 2 . 904 . . 50 HIS HB3 . 18806 1 434 . 1 1 50 50 HIS HD2 H 1 7.070 0.007 . 1 . 1218 . . 50 HIS HD2 . 18806 1 435 . 1 1 50 50 HIS HE1 H 1 7.865 0.015 . 1 . 1197 . . 50 HIS HE1 . 18806 1 436 . 1 1 50 50 HIS C C 13 176.003 . . 1 . 428 . . 50 HIS C . 18806 1 437 . 1 1 50 50 HIS CA C 13 58.898 0.017 . 1 . 61 . . 50 HIS CA . 18806 1 438 . 1 1 50 50 HIS CB C 13 28.544 0.069 . 1 . 62 . . 50 HIS CB . 18806 1 439 . 1 1 50 50 HIS CD2 C 13 130.560 0.037 . 1 . 1219 . . 50 HIS CD2 . 18806 1 440 . 1 1 50 50 HIS N N 15 118.664 0.045 . 1 . 60 . . 50 HIS N . 18806 1 441 . 1 1 51 51 LEU H H 1 8.085 0.007 . 1 . 102 . . 51 LEU H . 18806 1 442 . 1 1 51 51 LEU HA H 1 3.676 0.015 . 1 . 662 . . 51 LEU HA . 18806 1 443 . 1 1 51 51 LEU HB2 H 1 1.803 0.014 . 2 . 664 . . 51 LEU HB2 . 18806 1 444 . 1 1 51 51 LEU HB3 H 1 1.486 0.011 . 2 . 663 . . 51 LEU HB3 . 18806 1 445 . 1 1 51 51 LEU HG H 1 1.137 0.004 . 1 . 669 . . 51 LEU HG . 18806 1 446 . 1 1 51 51 LEU HD11 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD11 . 18806 1 447 . 1 1 51 51 LEU HD12 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD12 . 18806 1 448 . 1 1 51 51 LEU HD13 H 1 0.886 0.012 . 1 . 666 . . 51 LEU HD13 . 18806 1 449 . 1 1 51 51 LEU HD21 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD21 . 18806 1 450 . 1 1 51 51 LEU HD22 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD22 . 18806 1 451 . 1 1 51 51 LEU HD23 H 1 0.886 0.012 . 1 . 667 . . 51 LEU HD23 . 18806 1 452 . 1 1 51 51 LEU C C 13 178.470 . . 1 . 427 . . 51 LEU C . 18806 1 453 . 1 1 51 51 LEU CA C 13 58.047 0.012 . 1 . 661 . . 51 LEU CA . 18806 1 454 . 1 1 51 51 LEU CB C 13 41.905 0.044 . 1 . 104 . . 51 LEU CB . 18806 1 455 . 1 1 51 51 LEU CG C 13 24.504 0.013 . 1 . 668 . . 51 LEU CG . 18806 1 456 . 1 1 51 51 LEU CD1 C 13 25.642 0.076 . 1 . 665 . . 51 LEU CD1 . 18806 1 457 . 1 1 51 51 LEU CD2 C 13 25.642 0.076 . 1 . 552 . . 51 LEU CD2 . 18806 1 458 . 1 1 51 51 LEU N N 15 116.715 0.006 . 1 . 103 . . 51 LEU N . 18806 1 459 . 1 1 52 52 LYS H H 1 6.883 0.012 . 1 . 98 . . 52 LYS H . 18806 1 460 . 1 1 52 52 LYS HA H 1 3.832 0.011 . 1 . 1088 . . 52 LYS HA . 18806 1 461 . 1 1 52 52 LYS HB2 H 1 1.689 0.009 . 1 . 1091 . . 52 LYS HB2 . 18806 1 462 . 1 1 52 52 LYS HB3 H 1 1.689 0.009 . 1 . 1092 . . 52 LYS HB3 . 18806 1 463 . 1 1 52 52 LYS HG2 H 1 1.328 0.014 . 1 . 1095 . . 52 LYS HG2 . 18806 1 464 . 1 1 52 52 LYS HG3 H 1 1.328 0.014 . 1 . 1096 . . 52 LYS HG3 . 18806 1 465 . 1 1 52 52 LYS HD2 H 1 1.553 0.013 . 1 . 1094 . . 52 LYS HD2 . 18806 1 466 . 1 1 52 52 LYS HD3 H 1 1.553 0.013 . 1 . 1093 . . 52 LYS HD3 . 18806 1 467 . 1 1 52 52 LYS HE2 H 1 2.849 0.002 . 1 . 1089 . . 52 LYS HE2 . 18806 1 468 . 1 1 52 52 LYS HE3 H 1 2.849 0.002 . 1 . 1090 . . 52 LYS HE3 . 18806 1 469 . 1 1 52 52 LYS C C 13 178.357 . . 1 . 426 . . 52 LYS C . 18806 1 470 . 1 1 52 52 LYS CA C 13 58.417 0.034 . 1 . 100 . . 52 LYS CA . 18806 1 471 . 1 1 52 52 LYS CB C 13 32.112 0.025 . 1 . 101 . . 52 LYS CB . 18806 1 472 . 1 1 52 52 LYS CG C 13 24.602 0.005 . 1 . 549 . . 52 LYS CG . 18806 1 473 . 1 1 52 52 LYS CD C 13 28.897 0.007 . 1 . 550 . . 52 LYS CD . 18806 1 474 . 1 1 52 52 LYS CE C 13 40.271 . . 1 . 551 . . 52 LYS CE . 18806 1 475 . 1 1 52 52 LYS N N 15 115.588 0.055 . 1 . 99 . . 52 LYS N . 18806 1 476 . 1 1 53 53 ILE H H 1 7.655 0.011 . 1 . 94 . . 53 ILE H . 18806 1 477 . 1 1 53 53 ILE HA H 1 3.831 0.009 . 1 . 1085 . . 53 ILE HA . 18806 1 478 . 1 1 53 53 ILE HB H 1 1.568 0.013 . 1 . 1086 . . 53 ILE HB . 18806 1 479 . 1 1 53 53 ILE HG12 H 1 0.791 0.011 . 1 . 1195 . . 53 ILE HG12 . 18806 1 480 . 1 1 53 53 ILE HG13 H 1 0.791 0.011 . 1 . 1196 . . 53 ILE HG13 . 18806 1 481 . 1 1 53 53 ILE HG21 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG21 . 18806 1 482 . 1 1 53 53 ILE HG22 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG22 . 18806 1 483 . 1 1 53 53 ILE HG23 H 1 0.484 0.014 . 1 . 1087 . . 53 ILE HG23 . 18806 1 484 . 1 1 53 53 ILE C C 13 177.054 . . 1 . 425 . . 53 ILE C . 18806 1 485 . 1 1 53 53 ILE CA C 13 62.683 0.06 . 1 . 96 . . 53 ILE CA . 18806 1 486 . 1 1 53 53 ILE CB C 13 37.501 0.044 . 1 . 97 . . 53 ILE CB . 18806 1 487 . 1 1 53 53 ILE CG1 C 13 25.093 0.017 . 1 . 548 . . 53 ILE CG1 . 18806 1 488 . 1 1 53 53 ILE CG2 C 13 16.399 . . 1 . 546 . . 53 ILE CG2 . 18806 1 489 . 1 1 53 53 ILE CD1 C 13 14.169 . . 1 . 547 . . 53 ILE CD1 . 18806 1 490 . 1 1 53 53 ILE N N 15 115.446 0.037 . 1 . 95 . . 53 ILE N . 18806 1 491 . 1 1 54 54 HIS H H 1 7.100 0.013 . 1 . 281 . . 54 HIS H . 18806 1 492 . 1 1 54 54 HIS HA H 1 4.462 0.004 . 1 . 1167 . . 54 HIS HA . 18806 1 493 . 1 1 54 54 HIS HB2 H 1 2.677 0.013 . 1 . 1083 . . 54 HIS HB2 . 18806 1 494 . 1 1 54 54 HIS HB3 H 1 2.677 0.013 . 1 . 1084 . . 54 HIS HB3 . 18806 1 495 . 1 1 54 54 HIS HD2 H 1 6.454 0.002 . 1 . 1221 . . 54 HIS HD2 . 18806 1 496 . 1 1 54 54 HIS C C 13 174.896 . . 1 . 424 . . 54 HIS C . 18806 1 497 . 1 1 54 54 HIS CA C 13 55.395 0.054 . 1 . 152 . . 54 HIS CA . 18806 1 498 . 1 1 54 54 HIS CB C 13 28.564 0.065 . 1 . 153 . . 54 HIS CB . 18806 1 499 . 1 1 54 54 HIS CD2 C 13 130.631 0.005 . 1 . 1222 . . 54 HIS CD2 . 18806 1 500 . 1 1 54 54 HIS N N 15 117.283 0.056 . 1 . 151 . . 54 HIS N . 18806 1 501 . 1 1 55 55 ILE H H 1 7.247 0.012 . 1 . 37 . . 55 ILE H . 18806 1 502 . 1 1 55 55 ILE HA H 1 3.884 0.015 . 1 . 599 . . 55 ILE HA . 18806 1 503 . 1 1 55 55 ILE HB H 1 1.719 0.01 . 1 . 598 . . 55 ILE HB . 18806 1 504 . 1 1 55 55 ILE HG12 H 1 1.341 0.013 . 2 . 597 . . 55 ILE HG12 . 18806 1 505 . 1 1 55 55 ILE HG13 H 1 1.021 0.011 . 2 . 596 . . 55 ILE HG13 . 18806 1 506 . 1 1 55 55 ILE HG21 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG21 . 18806 1 507 . 1 1 55 55 ILE HG22 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG22 . 18806 1 508 . 1 1 55 55 ILE HG23 H 1 0.759 0.013 . 1 . 595 . . 55 ILE HG23 . 18806 1 509 . 1 1 55 55 ILE HD11 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD11 . 18806 1 510 . 1 1 55 55 ILE HD12 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD12 . 18806 1 511 . 1 1 55 55 ILE HD13 H 1 0.708 0.012 . 1 . 593 . . 55 ILE HD13 . 18806 1 512 . 1 1 55 55 ILE C C 13 175.788 . . 1 . 423 . . 55 ILE C . 18806 1 513 . 1 1 55 55 ILE CA C 13 61.915 0.073 . 1 . 39 . . 55 ILE CA . 18806 1 514 . 1 1 55 55 ILE CB C 13 38.420 0.068 . 1 . 40 . . 55 ILE CB . 18806 1 515 . 1 1 55 55 ILE CG1 C 13 27.339 0.034 . 1 . 588 . . 55 ILE CG1 . 18806 1 516 . 1 1 55 55 ILE CG2 C 13 17.415 0.074 . 1 . 594 . . 55 ILE CG2 . 18806 1 517 . 1 1 55 55 ILE CD1 C 13 12.996 0.057 . 1 . 589 . . 55 ILE CD1 . 18806 1 518 . 1 1 55 55 ILE N N 15 119.709 0.047 . 1 . 38 . . 55 ILE N . 18806 1 519 . 1 1 56 56 ALA H H 1 8.009 0.011 . 1 . 33 . . 56 ALA H . 18806 1 520 . 1 1 56 56 ALA HA H 1 4.197 0.014 . 1 . 612 . . 56 ALA HA . 18806 1 521 . 1 1 56 56 ALA HB1 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB1 . 18806 1 522 . 1 1 56 56 ALA HB2 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB2 . 18806 1 523 . 1 1 56 56 ALA HB3 H 1 1.223 0.013 . 1 . 613 . . 56 ALA HB3 . 18806 1 524 . 1 1 56 56 ALA C C 13 177.042 . . 1 . 422 . . 56 ALA C . 18806 1 525 . 1 1 56 56 ALA CA C 13 52.204 0.056 . 1 . 36 . . 56 ALA CA . 18806 1 526 . 1 1 56 56 ALA CB C 13 19.190 0.068 . 1 . 35 . . 56 ALA CB . 18806 1 527 . 1 1 56 56 ALA N N 15 126.276 0.056 . 1 . 34 . . 56 ALA N . 18806 1 528 . 1 1 57 57 ASP H H 1 7.924 0.009 . 1 . 29 . . 57 ASP H . 18806 1 529 . 1 1 57 57 ASP HA H 1 4.447 0.008 . 1 . 979 . . 57 ASP HA . 18806 1 530 . 1 1 57 57 ASP HB2 H 1 2.516 0.013 . 1 . 963 . . 57 ASP HB2 . 18806 1 531 . 1 1 57 57 ASP HB3 H 1 2.516 0.013 . 1 . 962 . . 57 ASP HB3 . 18806 1 532 . 1 1 57 57 ASP C C 13 176.200 . . 1 . 421 . . 57 ASP C . 18806 1 533 . 1 1 57 57 ASP CA C 13 54.257 0.059 . 1 . 31 . . 57 ASP CA . 18806 1 534 . 1 1 57 57 ASP CB C 13 41.256 0.041 . 1 . 32 . . 57 ASP CB . 18806 1 535 . 1 1 57 57 ASP N N 15 119.736 0.044 . 1 . 30 . . 57 ASP N . 18806 1 536 . 1 1 58 58 GLY H H 1 7.903 0.009 . 1 . 26 . . 58 GLY H . 18806 1 537 . 1 1 58 58 GLY HA2 H 1 3.916 0.01 . 2 . 631 . . 58 GLY HA2 . 18806 1 538 . 1 1 58 58 GLY HA3 H 1 3.994 0.008 . 2 . 630 . . 58 GLY HA3 . 18806 1 539 . 1 1 58 58 GLY CA C 13 44.961 0.075 . 1 . 28 . . 58 GLY CA . 18806 1 540 . 1 1 58 58 GLY N N 15 108.482 0.048 . 1 . 27 . . 58 GLY N . 18806 1 541 . 1 1 59 59 PRO HA H 1 4.352 0.0 . 1 . 984 . . 59 PRO HA . 18806 1 542 . 1 1 59 59 PRO HB2 H 1 2.093 0.008 . 1 . 985 . . 59 PRO HB2 . 18806 1 543 . 1 1 59 59 PRO HB3 H 1 2.093 0.008 . 1 . 986 . . 59 PRO HB3 . 18806 1 544 . 1 1 59 59 PRO HG2 H 1 1.822 0.014 . 1 . 988 . . 59 PRO HG2 . 18806 1 545 . 1 1 59 59 PRO HG3 H 1 1.822 0.014 . 1 . 987 . . 59 PRO HG3 . 18806 1 546 . 1 1 59 59 PRO HD2 H 1 3.483 0.009 . 1 . 981 . . 59 PRO HD2 . 18806 1 547 . 1 1 59 59 PRO HD3 H 1 3.483 0.009 . 1 . 980 . . 59 PRO HD3 . 18806 1 548 . 1 1 59 59 PRO C C 13 176.875 . . 1 . 420 . . 59 PRO C . 18806 1 549 . 1 1 59 59 PRO CA C 13 63.480 0.064 . 1 . 318 . . 59 PRO CA . 18806 1 550 . 1 1 59 59 PRO CB C 13 31.639 . . 1 . 319 . . 59 PRO CB . 18806 1 551 . 1 1 59 59 PRO CG C 13 26.989 0.039 . 1 . 586 . . 59 PRO CG . 18806 1 552 . 1 1 59 59 PRO CD C 13 49.803 0.018 . 1 . 587 . . 59 PRO CD . 18806 1 553 . 1 1 60 60 LEU H H 1 8.314 0.009 . 1 . 316 . . 60 LEU H . 18806 1 554 . 1 1 60 60 LEU HA H 1 4.313 0.011 . 1 . 728 . . 60 LEU HA . 18806 1 555 . 1 1 60 60 LEU HB2 H 1 1.426 0.01 . 2 . 726 . . 60 LEU HB2 . 18806 1 556 . 1 1 60 60 LEU HB3 H 1 1.618 0.015 . 2 . 724 . . 60 LEU HB3 . 18806 1 557 . 1 1 60 60 LEU HG H 1 1.424 0.013 . 1 . 730 . . 60 LEU HG . 18806 1 558 . 1 1 60 60 LEU HD11 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD11 . 18806 1 559 . 1 1 60 60 LEU HD12 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD12 . 18806 1 560 . 1 1 60 60 LEU HD13 H 1 0.585 0.015 . 1 . 733 . . 60 LEU HD13 . 18806 1 561 . 1 1 60 60 LEU HD21 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD21 . 18806 1 562 . 1 1 60 60 LEU HD22 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD22 . 18806 1 563 . 1 1 60 60 LEU HD23 H 1 0.610 0.012 . 1 . 731 . . 60 LEU HD23 . 18806 1 564 . 1 1 60 60 LEU C C 13 174.836 . . 1 . 419 . . 60 LEU C . 18806 1 565 . 1 1 60 60 LEU CA C 13 54.188 0.06 . 1 . 727 . . 60 LEU CA . 18806 1 566 . 1 1 60 60 LEU CB C 13 41.692 0.037 . 1 . 725 . . 60 LEU CB . 18806 1 567 . 1 1 60 60 LEU CG C 13 26.901 0.003 . 1 . 729 . . 60 LEU CG . 18806 1 568 . 1 1 60 60 LEU CD1 C 13 23.005 0.045 . 2 . 732 . . 60 LEU CD1 . 18806 1 569 . 1 1 60 60 LEU CD2 C 13 25.524 0.06 . 2 . 545 . . 60 LEU CD2 . 18806 1 570 . 1 1 60 60 LEU N N 15 120.479 0.034 . 1 . 317 . . 60 LEU N . 18806 1 571 . 1 1 61 61 LYS H H 1 7.587 0.01 . 1 . 314 . . 61 LYS H . 18806 1 572 . 1 1 61 61 LYS HA H 1 4.907 0.014 . 1 . 964 . . 61 LYS HA . 18806 1 573 . 1 1 61 61 LYS HB2 H 1 1.431 0.013 . 1 . 995 . . 61 LYS HB2 . 18806 1 574 . 1 1 61 61 LYS HB3 H 1 1.431 0.013 . 1 . 994 . . 61 LYS HB3 . 18806 1 575 . 1 1 61 61 LYS HG2 H 1 0.973 0.012 . 1 . 992 . . 61 LYS HG2 . 18806 1 576 . 1 1 61 61 LYS HG3 H 1 0.973 0.012 . 1 . 993 . . 61 LYS HG3 . 18806 1 577 . 1 1 61 61 LYS HD2 H 1 1.427 0.011 . 1 . 997 . . 61 LYS HD2 . 18806 1 578 . 1 1 61 61 LYS HD3 H 1 1.427 0.011 . 1 . 996 . . 61 LYS HD3 . 18806 1 579 . 1 1 61 61 LYS HE2 H 1 2.782 0.012 . 1 . 991 . . 61 LYS HE2 . 18806 1 580 . 1 1 61 61 LYS HE3 H 1 2.782 0.012 . 1 . 990 . . 61 LYS HE3 . 18806 1 581 . 1 1 61 61 LYS C C 13 175.533 . . 1 . 418 . . 61 LYS C . 18806 1 582 . 1 1 61 61 LYS CA C 13 54.322 0.054 . 1 . 310 . . 61 LYS CA . 18806 1 583 . 1 1 61 61 LYS CB C 13 35.449 0.035 . 1 . 311 . . 61 LYS CB . 18806 1 584 . 1 1 61 61 LYS CG C 13 25.191 . . 1 . 542 . . 61 LYS CG . 18806 1 585 . 1 1 61 61 LYS CD C 13 29.395 0.01 . 1 . 543 . . 61 LYS CD . 18806 1 586 . 1 1 61 61 LYS CE C 13 41.411 0.018 . 1 . 544 . . 61 LYS CE . 18806 1 587 . 1 1 61 61 LYS N N 15 120.279 0.057 . 1 . 315 . . 61 LYS N . 18806 1 588 . 1 1 62 62 CYS H H 1 9.008 0.012 . 1 . 308 . . 62 CYS H . 18806 1 589 . 1 1 62 62 CYS HA H 1 4.349 0.013 . 1 . 691 . . 62 CYS HA . 18806 1 590 . 1 1 62 62 CYS HB2 H 1 2.727 0.01 . 2 . 690 . . 62 CYS HB2 . 18806 1 591 . 1 1 62 62 CYS HB3 H 1 3.195 0.013 . 2 . 689 . . 62 CYS HB3 . 18806 1 592 . 1 1 62 62 CYS C C 13 177.533 . . 1 . 417 . . 62 CYS C . 18806 1 593 . 1 1 62 62 CYS CA C 13 59.489 0.046 . 1 . 306 . . 62 CYS CA . 18806 1 594 . 1 1 62 62 CYS CB C 13 29.664 0.074 . 1 . 307 . . 62 CYS CB . 18806 1 595 . 1 1 62 62 CYS N N 15 127.047 0.06 . 1 . 309 . . 62 CYS N . 18806 1 596 . 1 1 63 63 ARG H H 1 9.213 0.008 . 1 . 304 . . 63 ARG H . 18806 1 597 . 1 1 63 63 ARG HA H 1 3.996 0.015 . 1 . 754 . . 63 ARG HA . 18806 1 598 . 1 1 63 63 ARG HB2 H 1 1.789 0.013 . 1 . 755 . . 63 ARG HB2 . 18806 1 599 . 1 1 63 63 ARG HB3 H 1 1.789 0.013 . 1 . 756 . . 63 ARG HB3 . 18806 1 600 . 1 1 63 63 ARG HG2 H 1 1.586 0.013 . 1 . 758 . . 63 ARG HG2 . 18806 1 601 . 1 1 63 63 ARG HG3 H 1 1.586 0.013 . 1 . 757 . . 63 ARG HG3 . 18806 1 602 . 1 1 63 63 ARG HD2 H 1 3.085 0.013 . 1 . 752 . . 63 ARG HD2 . 18806 1 603 . 1 1 63 63 ARG HD3 H 1 3.085 0.013 . 1 . 753 . . 63 ARG HD3 . 18806 1 604 . 1 1 63 63 ARG C C 13 176.307 . . 1 . 416 . . 63 ARG C . 18806 1 605 . 1 1 63 63 ARG CA C 13 58.135 0.061 . 1 . 302 . . 63 ARG CA . 18806 1 606 . 1 1 63 63 ARG CB C 13 29.869 0.078 . 1 . 303 . . 63 ARG CB . 18806 1 607 . 1 1 63 63 ARG CG C 13 27.124 0.035 . 1 . 540 . . 63 ARG CG . 18806 1 608 . 1 1 63 63 ARG CD C 13 43.293 0.028 . 1 . 541 . . 63 ARG CD . 18806 1 609 . 1 1 63 63 ARG N N 15 131.833 0.032 . 1 . 305 . . 63 ARG N . 18806 1 610 . 1 1 64 64 GLU H H 1 8.674 0.007 . 1 . 301 . . 64 GLU H . 18806 1 611 . 1 1 64 64 GLU HA H 1 4.075 0.012 . 1 . 967 . . 64 GLU HA . 18806 1 612 . 1 1 64 64 GLU HB2 H 1 1.186 0.009 . 2 . 972 . . 64 GLU HB2 . 18806 1 613 . 1 1 64 64 GLU HB3 H 1 1.008 0.004 . 2 . 971 . . 64 GLU HB3 . 18806 1 614 . 1 1 64 64 GLU HG2 H 1 1.675 0.014 . 1 . 973 . . 64 GLU HG2 . 18806 1 615 . 1 1 64 64 GLU HG3 H 1 1.675 0.014 . 1 . 974 . . 64 GLU HG3 . 18806 1 616 . 1 1 64 64 GLU C C 13 177.231 . . 1 . 415 . . 64 GLU C . 18806 1 617 . 1 1 64 64 GLU CA C 13 57.835 0.022 . 1 . 298 . . 64 GLU CA . 18806 1 618 . 1 1 64 64 GLU CB C 13 29.173 0.048 . 1 . 299 . . 64 GLU CB . 18806 1 619 . 1 1 64 64 GLU CG C 13 35.257 0.051 . 1 . 539 . . 64 GLU CG . 18806 1 620 . 1 1 64 64 GLU N N 15 120.210 0.058 . 1 . 300 . . 64 GLU N . 18806 1 621 . 1 1 65 65 CYS H H 1 8.115 0.008 . 1 . 245 . . 65 CYS H . 18806 1 622 . 1 1 65 65 CYS HA H 1 5.028 0.01 . 1 . 884 . . 65 CYS HA . 18806 1 623 . 1 1 65 65 CYS HB2 H 1 2.723 0.011 . 2 . 893 . . 65 CYS HB2 . 18806 1 624 . 1 1 65 65 CYS HB3 H 1 3.309 0.012 . 2 . 892 . . 65 CYS HB3 . 18806 1 625 . 1 1 65 65 CYS C C 13 176.295 . . 1 . 414 . . 65 CYS C . 18806 1 626 . 1 1 65 65 CYS CA C 13 58.223 0.037 . 1 . 247 . . 65 CYS CA . 18806 1 627 . 1 1 65 65 CYS CB C 13 32.339 0.061 . 1 . 248 . . 65 CYS CB . 18806 1 628 . 1 1 65 65 CYS N N 15 115.424 0.057 . 1 . 246 . . 65 CYS N . 18806 1 629 . 1 1 66 66 GLY H H 1 7.984 0.011 . 1 . 249 . . 66 GLY H . 18806 1 630 . 1 1 66 66 GLY HA2 H 1 3.630 0.013 . 2 . 782 . . 66 GLY HA2 . 18806 1 631 . 1 1 66 66 GLY HA3 H 1 4.080 0.014 . 2 . 783 . . 66 GLY HA3 . 18806 1 632 . 1 1 66 66 GLY C C 13 173.337 . . 1 . 413 . . 66 GLY C . 18806 1 633 . 1 1 66 66 GLY CA C 13 46.164 0.06 . 1 . 251 . . 66 GLY CA . 18806 1 634 . 1 1 66 66 GLY N N 15 113.249 0.039 . 1 . 250 . . 66 GLY N . 18806 1 635 . 1 1 67 67 LYS H H 1 7.700 0.009 . 1 . 252 . . 67 LYS H . 18806 1 636 . 1 1 67 67 LYS HA H 1 3.824 0.009 . 1 . 784 . . 67 LYS HA . 18806 1 637 . 1 1 67 67 LYS HB2 H 1 1.082 0.015 . 2 . 788 . . 67 LYS HB2 . 18806 1 638 . 1 1 67 67 LYS HB3 H 1 1.317 0.007 . 2 . 787 . . 67 LYS HB3 . 18806 1 639 . 1 1 67 67 LYS HG2 H 1 0.923 0.014 . 1 . 975 . . 67 LYS HG2 . 18806 1 640 . 1 1 67 67 LYS HG3 H 1 0.923 0.014 . 1 . 976 . . 67 LYS HG3 . 18806 1 641 . 1 1 67 67 LYS HD2 H 1 1.335 0.009 . 1 . 789 . . 67 LYS HD2 . 18806 1 642 . 1 1 67 67 LYS HD3 H 1 1.335 0.009 . 1 . 790 . . 67 LYS HD3 . 18806 1 643 . 1 1 67 67 LYS HE2 H 1 2.798 0.009 . 2 . 786 . . 67 LYS HE2 . 18806 1 644 . 1 1 67 67 LYS HE3 H 1 2.836 0.011 . 2 . 785 . . 67 LYS HE3 . 18806 1 645 . 1 1 67 67 LYS C C 13 174.006 . . 1 . 412 . . 67 LYS C . 18806 1 646 . 1 1 67 67 LYS CA C 13 57.937 0.071 . 1 . 254 . . 67 LYS CA . 18806 1 647 . 1 1 67 67 LYS CB C 13 33.563 0.059 . 1 . 255 . . 67 LYS CB . 18806 1 648 . 1 1 67 67 LYS CG C 13 26.138 . . 1 . 536 . . 67 LYS CG . 18806 1 649 . 1 1 67 67 LYS CD C 13 28.967 0.043 . 1 . 537 . . 67 LYS CD . 18806 1 650 . 1 1 67 67 LYS CE C 13 42.133 0.037 . 1 . 538 . . 67 LYS CE . 18806 1 651 . 1 1 67 67 LYS N N 15 122.126 0.044 . 1 . 253 . . 67 LYS N . 18806 1 652 . 1 1 68 68 GLN H H 1 7.911 0.005 . 1 . 256 . . 68 GLN H . 18806 1 653 . 1 1 68 68 GLN HA H 1 4.678 0.011 . 1 . 989 . . 68 GLN HA . 18806 1 654 . 1 1 68 68 GLN HB2 H 1 1.603 0.01 . 2 . 1022 . . 68 GLN HB2 . 18806 1 655 . 1 1 68 68 GLN HB3 H 1 1.738 0.004 . 2 . 1021 . . 68 GLN HB3 . 18806 1 656 . 1 1 68 68 GLN HG2 H 1 2.037 0.011 . 1 . 982 . . 68 GLN HG2 . 18806 1 657 . 1 1 68 68 GLN HG3 H 1 2.037 0.011 . 1 . 983 . . 68 GLN HG3 . 18806 1 658 . 1 1 68 68 GLN HE21 H 1 6.720 0.01 . 1 . 835 . . 68 GLN HE21 . 18806 1 659 . 1 1 68 68 GLN HE22 H 1 7.445 0.009 . 1 . 839 . . 68 GLN HE22 . 18806 1 660 . 1 1 68 68 GLN C C 13 174.813 . . 1 . 411 . . 68 GLN C . 18806 1 661 . 1 1 68 68 GLN CA C 13 54.550 0.069 . 1 . 258 . . 68 GLN CA . 18806 1 662 . 1 1 68 68 GLN CB C 13 31.199 0.003 . 1 . 747 . . 68 GLN CB . 18806 1 663 . 1 1 68 68 GLN CG C 13 34.108 0.045 . 1 . 535 . . 68 GLN CG . 18806 1 664 . 1 1 68 68 GLN N N 15 120.787 0.059 . 1 . 257 . . 68 GLN N . 18806 1 665 . 1 1 68 68 GLN NE2 N 15 111.914 0.054 . 1 . 836 . . 68 GLN NE2 . 18806 1 666 . 1 1 69 69 PHE H H 1 8.308 0.01 . 1 . 325 . . 69 PHE H . 18806 1 667 . 1 1 69 69 PHE HB2 H 1 3.121 0.009 . 2 . 999 . . 69 PHE HB2 . 18806 1 668 . 1 1 69 69 PHE HB3 H 1 2.540 0.015 . 2 . 998 . . 69 PHE HB3 . 18806 1 669 . 1 1 69 69 PHE HD1 H 1 7.040 0.011 . 3 . 965 . . 69 PHE HD1 . 18806 1 670 . 1 1 69 69 PHE HD2 H 1 7.040 0.011 . 3 . 965 . . 69 PHE HD2 . 18806 1 671 . 1 1 69 69 PHE HZ H 1 5.878 0.001 . 1 . 1232 . . 69 PHE HZ . 18806 1 672 . 1 1 69 69 PHE C C 13 175.241 . . 1 . 410 . . 69 PHE C . 18806 1 673 . 1 1 69 69 PHE CA C 13 57.347 0.051 . 1 . 323 . . 69 PHE CA . 18806 1 674 . 1 1 69 69 PHE CB C 13 43.408 0.061 . 1 . 324 . . 69 PHE CB . 18806 1 675 . 1 1 69 69 PHE CD1 C 13 135.014 0.033 . 3 . 1033 . . 69 PHE CD1 . 18806 1 676 . 1 1 69 69 PHE CD2 C 13 135.014 0.033 . 3 . 1033 . . 69 PHE CD2 . 18806 1 677 . 1 1 69 69 PHE CZ C 13 131.475 . . 1 . 1231 . . 69 PHE CZ . 18806 1 678 . 1 1 69 69 PHE N N 15 120.205 0.059 . 1 . 326 . . 69 PHE N . 18806 1 679 . 1 1 70 70 THR H H 1 9.023 0.005 . 1 . 321 . . 70 THR H . 18806 1 680 . 1 1 70 70 THR HA H 1 4.267 0.009 . 1 . 618 . . 70 THR HA . 18806 1 681 . 1 1 70 70 THR HB H 1 4.284 0.007 . 1 . 617 . . 70 THR HB . 18806 1 682 . 1 1 70 70 THR HG21 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG21 . 18806 1 683 . 1 1 70 70 THR HG22 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG22 . 18806 1 684 . 1 1 70 70 THR HG23 H 1 1.123 0.014 . 1 . 616 . . 70 THR HG23 . 18806 1 685 . 1 1 70 70 THR C C 13 175.435 . . 1 . 409 . . 70 THR C . 18806 1 686 . 1 1 70 70 THR CA C 13 62.819 0.028 . 1 . 275 . . 70 THR CA . 18806 1 687 . 1 1 70 70 THR CB C 13 69.591 0.076 . 1 . 276 . . 70 THR CB . 18806 1 688 . 1 1 70 70 THR CG2 C 13 22.256 0.075 . 1 . 534 . . 70 THR CG2 . 18806 1 689 . 1 1 70 70 THR N N 15 108.936 0.034 . 1 . 322 . . 70 THR N . 18806 1 690 . 1 1 71 71 THR H H 1 7.150 0.011 . 1 . 190 . . 71 THR H . 18806 1 691 . 1 1 71 71 THR HA H 1 4.732 0.002 . 1 . 764 . . 71 THR HA . 18806 1 692 . 1 1 71 71 THR HB H 1 4.444 0.014 . 1 . 765 . . 71 THR HB . 18806 1 693 . 1 1 71 71 THR HG21 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG21 . 18806 1 694 . 1 1 71 71 THR HG22 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG22 . 18806 1 695 . 1 1 71 71 THR HG23 H 1 1.107 0.011 . 1 . 766 . . 71 THR HG23 . 18806 1 696 . 1 1 71 71 THR C C 13 174.614 . . 1 . 408 . . 71 THR C . 18806 1 697 . 1 1 71 71 THR CA C 13 58.874 0.024 . 1 . 192 . . 71 THR CA . 18806 1 698 . 1 1 71 71 THR CB C 13 72.806 0.031 . 1 . 193 . . 71 THR CB . 18806 1 699 . 1 1 71 71 THR N N 15 108.345 0.042 . 1 . 191 . . 71 THR N . 18806 1 700 . 1 1 72 72 SER H H 1 9.243 0.007 . 1 . 186 . . 72 SER H . 18806 1 701 . 1 1 72 72 SER HA H 1 3.900 0.013 . 1 . 769 . . 72 SER HA . 18806 1 702 . 1 1 72 72 SER HB2 H 1 3.807 0.015 . 1 . 768 . . 72 SER HB2 . 18806 1 703 . 1 1 72 72 SER HB3 H 1 3.807 0.015 . 1 . 767 . . 72 SER HB3 . 18806 1 704 . 1 1 72 72 SER C C 13 177.313 . . 1 . 407 . . 72 SER C . 18806 1 705 . 1 1 72 72 SER CA C 13 61.112 0.052 . 1 . 188 . . 72 SER CA . 18806 1 706 . 1 1 72 72 SER CB C 13 62.316 0.04 . 1 . 189 . . 72 SER CB . 18806 1 707 . 1 1 72 72 SER N N 15 119.177 0.031 . 1 . 187 . . 72 SER N . 18806 1 708 . 1 1 73 73 GLY H H 1 8.661 0.007 . 1 . 273 . . 73 GLY H . 18806 1 709 . 1 1 73 73 GLY HA2 H 1 3.804 0.014 . 1 . 882 . . 73 GLY HA2 . 18806 1 710 . 1 1 73 73 GLY HA3 H 1 3.804 0.014 . 1 . 883 . . 73 GLY HA3 . 18806 1 711 . 1 1 73 73 GLY C C 13 176.236 . . 1 . 433 . . 73 GLY C . 18806 1 712 . 1 1 73 73 GLY CA C 13 46.952 0.067 . 1 . 881 . . 73 GLY CA . 18806 1 713 . 1 1 73 73 GLY N N 15 110.453 0.019 . 1 . 274 . . 73 GLY N . 18806 1 714 . 1 1 74 74 ASN H H 1 7.740 0.006 . 1 . 41 . . 74 ASN H . 18806 1 715 . 1 1 74 74 ASN HA H 1 4.397 0.012 . 1 . 869 . . 74 ASN HA . 18806 1 716 . 1 1 74 74 ASN HB2 H 1 2.821 0.013 . 1 . 871 . . 74 ASN HB2 . 18806 1 717 . 1 1 74 74 ASN HB3 H 1 2.821 0.013 . 1 . 870 . . 74 ASN HB3 . 18806 1 718 . 1 1 74 74 ASN C C 13 177.974 . . 1 . 432 . . 74 ASN C . 18806 1 719 . 1 1 74 74 ASN CA C 13 55.210 0.021 . 1 . 43 . . 74 ASN CA . 18806 1 720 . 1 1 74 74 ASN CB C 13 37.623 0.079 . 1 . 44 . . 74 ASN CB . 18806 1 721 . 1 1 74 74 ASN N N 15 120.577 0.015 . 1 . 42 . . 74 ASN N . 18806 1 722 . 1 1 75 75 LEU H H 1 7.343 0.009 . 1 . 48 . . 75 LEU H . 18806 1 723 . 1 1 75 75 LEU HA H 1 2.948 0.013 . 1 . 646 . . 75 LEU HA . 18806 1 724 . 1 1 75 75 LEU HB2 H 1 1.041 0.015 . 2 . 977 . . 75 LEU HB2 . 18806 1 725 . 1 1 75 75 LEU HB3 H 1 1.841 0.013 . 2 . 645 . . 75 LEU HB3 . 18806 1 726 . 1 1 75 75 LEU HG H 1 1.346 0.007 . 1 . 1000 . . 75 LEU HG . 18806 1 727 . 1 1 75 75 LEU HD11 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD11 . 18806 1 728 . 1 1 75 75 LEU HD12 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD12 . 18806 1 729 . 1 1 75 75 LEU HD13 H 1 0.793 0.011 . 2 . 644 . . 75 LEU HD13 . 18806 1 730 . 1 1 75 75 LEU HD21 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD21 . 18806 1 731 . 1 1 75 75 LEU HD22 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD22 . 18806 1 732 . 1 1 75 75 LEU HD23 H 1 0.704 0.013 . 2 . 643 . . 75 LEU HD23 . 18806 1 733 . 1 1 75 75 LEU C C 13 177.097 . . 1 . 431 . . 75 LEU C . 18806 1 734 . 1 1 75 75 LEU CA C 13 57.968 0.078 . 1 . 50 . . 75 LEU CA . 18806 1 735 . 1 1 75 75 LEU CB C 13 40.520 0.079 . 1 . 51 . . 75 LEU CB . 18806 1 736 . 1 1 75 75 LEU CG C 13 26.908 0.021 . 1 . 1001 . . 75 LEU CG . 18806 1 737 . 1 1 75 75 LEU CD1 C 13 26.273 0.058 . 2 . 556 . . 75 LEU CD1 . 18806 1 738 . 1 1 75 75 LEU CD2 C 13 22.725 0.056 . 2 . 557 . . 75 LEU CD2 . 18806 1 739 . 1 1 75 75 LEU N N 15 123.304 0.046 . 1 . 49 . . 75 LEU N . 18806 1 740 . 1 1 76 76 LYS H H 1 8.254 0.01 . 1 . 52 . . 76 LYS H . 18806 1 741 . 1 1 76 76 LYS HA H 1 3.648 0.008 . 1 . 978 . . 76 LYS HA . 18806 1 742 . 1 1 76 76 LYS HB2 H 1 1.721 0.014 . 1 . 1005 . . 76 LYS HB2 . 18806 1 743 . 1 1 76 76 LYS HB3 H 1 1.721 0.014 . 1 . 1004 . . 76 LYS HB3 . 18806 1 744 . 1 1 76 76 LYS HG2 H 1 1.233 0.012 . 1 . 1006 . . 76 LYS HG2 . 18806 1 745 . 1 1 76 76 LYS HG3 H 1 1.232 0.012 . 1 . 1007 . . 76 LYS HG3 . 18806 1 746 . 1 1 76 76 LYS HD2 H 1 1.487 0.013 . 1 . 1009 . . 76 LYS HD2 . 18806 1 747 . 1 1 76 76 LYS HD3 H 1 1.487 0.013 . 1 . 1008 . . 76 LYS HD3 . 18806 1 748 . 1 1 76 76 LYS HE2 H 1 2.780 0.011 . 1 . 1002 . . 76 LYS HE2 . 18806 1 749 . 1 1 76 76 LYS HE3 H 1 2.780 0.011 . 1 . 1003 . . 76 LYS HE3 . 18806 1 750 . 1 1 76 76 LYS C C 13 179.149 . . 1 . 403 . . 76 LYS C . 18806 1 751 . 1 1 76 76 LYS CA C 13 60.272 0.053 . 1 . 54 . . 76 LYS CA . 18806 1 752 . 1 1 76 76 LYS CB C 13 31.908 0.072 . 1 . 120 . . 76 LYS CB . 18806 1 753 . 1 1 76 76 LYS CG C 13 25.900 0.001 . 1 . 529 . . 76 LYS CG . 18806 1 754 . 1 1 76 76 LYS CD C 13 29.270 0.048 . 1 . 530 . . 76 LYS CD . 18806 1 755 . 1 1 76 76 LYS CE C 13 41.796 0.008 . 1 . 531 . . 76 LYS CE . 18806 1 756 . 1 1 76 76 LYS N N 15 118.414 0.03 . 1 . 53 . . 76 LYS N . 18806 1 757 . 1 1 77 77 ARG H H 1 7.452 0.009 . 1 . 121 . . 77 ARG H . 18806 1 758 . 1 1 77 77 ARG HA H 1 3.799 0.008 . 1 . 941 . . 77 ARG HA . 18806 1 759 . 1 1 77 77 ARG HB2 H 1 1.692 0.014 . 1 . 939 . . 77 ARG HB2 . 18806 1 760 . 1 1 77 77 ARG HB3 H 1 1.692 0.014 . 1 . 940 . . 77 ARG HB3 . 18806 1 761 . 1 1 77 77 ARG HG2 H 1 1.439 0.009 . 1 . 956 . . 77 ARG HG2 . 18806 1 762 . 1 1 77 77 ARG HG3 H 1 1.439 0.009 . 1 . 957 . . 77 ARG HG3 . 18806 1 763 . 1 1 77 77 ARG HD2 H 1 3.057 0.012 . 1 . 958 . . 77 ARG HD2 . 18806 1 764 . 1 1 77 77 ARG HD3 H 1 3.057 0.012 . 1 . 959 . . 77 ARG HD3 . 18806 1 765 . 1 1 77 77 ARG C C 13 178.514 . . 1 . 402 . . 77 ARG C . 18806 1 766 . 1 1 77 77 ARG CA C 13 59.234 0.037 . 1 . 123 . . 77 ARG CA . 18806 1 767 . 1 1 77 77 ARG CB C 13 30.442 0.07 . 1 . 124 . . 77 ARG CB . 18806 1 768 . 1 1 77 77 ARG CG C 13 27.980 0.018 . 1 . 527 . . 77 ARG CG . 18806 1 769 . 1 1 77 77 ARG CD C 13 43.205 0.01 . 1 . 528 . . 77 ARG CD . 18806 1 770 . 1 1 77 77 ARG N N 15 117.219 0.057 . 1 . 122 . . 77 ARG N . 18806 1 771 . 1 1 78 78 HIS H H 1 7.306 0.012 . 1 . 125 . . 78 HIS H . 18806 1 772 . 1 1 78 78 HIS HA H 1 4.039 0.011 . 1 . 902 . . 78 HIS HA . 18806 1 773 . 1 1 78 78 HIS HB2 H 1 2.931 0.01 . 2 . 901 . . 78 HIS HB2 . 18806 1 774 . 1 1 78 78 HIS HB3 H 1 2.643 0.015 . 2 . 900 . . 78 HIS HB3 . 18806 1 775 . 1 1 78 78 HIS HD2 H 1 6.719 0.015 . 1 . 966 . . 78 HIS HD2 . 18806 1 776 . 1 1 78 78 HIS HE1 H 1 7.900 0.003 . 1 . 1031 . . 78 HIS HE1 . 18806 1 777 . 1 1 78 78 HIS C C 13 175.930 . . 1 . 660 . . 78 HIS C . 18806 1 778 . 1 1 78 78 HIS CA C 13 59.113 0.075 . 1 . 127 . . 78 HIS CA . 18806 1 779 . 1 1 78 78 HIS CB C 13 28.286 0.065 . 1 . 128 . . 78 HIS CB . 18806 1 780 . 1 1 78 78 HIS CD2 C 13 130.741 . . 1 . 1024 . . 78 HIS CD2 . 18806 1 781 . 1 1 78 78 HIS CE1 C 13 142.456 . . 1 . 1032 . . 78 HIS CE1 . 18806 1 782 . 1 1 78 78 HIS N N 15 119.279 0.042 . 1 . 270 . . 78 HIS N . 18806 1 783 . 1 1 79 79 LEU H H 1 8.084 0.009 . 1 . 659 . . 79 LEU H . 18806 1 784 . 1 1 79 79 LEU HA H 1 3.643 0.013 . 1 . 657 . . 79 LEU HA . 18806 1 785 . 1 1 79 79 LEU HB2 H 1 1.415 0.014 . 2 . 656 . . 79 LEU HB2 . 18806 1 786 . 1 1 79 79 LEU HB3 H 1 1.755 0.011 . 2 . 655 . . 79 LEU HB3 . 18806 1 787 . 1 1 79 79 LEU HG H 1 1.083 0.013 . 1 . 652 . . 79 LEU HG . 18806 1 788 . 1 1 79 79 LEU HD11 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD11 . 18806 1 789 . 1 1 79 79 LEU HD12 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD12 . 18806 1 790 . 1 1 79 79 LEU HD13 H 1 0.840 0.013 . 1 . 653 . . 79 LEU HD13 . 18806 1 791 . 1 1 79 79 LEU HD21 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD21 . 18806 1 792 . 1 1 79 79 LEU HD22 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD22 . 18806 1 793 . 1 1 79 79 LEU HD23 H 1 0.840 0.013 . 1 . 654 . . 79 LEU HD23 . 18806 1 794 . 1 1 79 79 LEU C C 13 178.932 . . 1 . 400 . . 79 LEU C . 18806 1 795 . 1 1 79 79 LEU CA C 13 57.964 0.034 . 1 . 340 . . 79 LEU CA . 18806 1 796 . 1 1 79 79 LEU CB C 13 41.703 0.061 . 1 . 339 . . 79 LEU CB . 18806 1 797 . 1 1 79 79 LEU CG C 13 24.335 0.049 . 1 . 524 . . 79 LEU CG . 18806 1 798 . 1 1 79 79 LEU CD1 C 13 25.641 0.055 . 1 . 526 . . 79 LEU CD1 . 18806 1 799 . 1 1 79 79 LEU CD2 C 13 25.641 0.055 . 1 . 525 . . 79 LEU CD2 . 18806 1 800 . 1 1 79 79 LEU N N 15 116.633 0.031 . 1 . 658 . . 79 LEU N . 18806 1 801 . 1 1 80 80 ARG H H 1 6.954 0.011 . 1 . 337 . . 80 ARG H . 18806 1 802 . 1 1 80 80 ARG HA H 1 3.936 0.011 . 1 . 934 . . 80 ARG HA . 18806 1 803 . 1 1 80 80 ARG HB2 H 1 1.677 0.008 . 1 . 935 . . 80 ARG HB2 . 18806 1 804 . 1 1 80 80 ARG HB3 H 1 1.677 0.008 . 1 . 936 . . 80 ARG HB3 . 18806 1 805 . 1 1 80 80 ARG HG2 H 1 1.540 0.012 . 1 . 938 . . 80 ARG HG2 . 18806 1 806 . 1 1 80 80 ARG HG3 H 1 1.540 0.012 . 1 . 937 . . 80 ARG HG3 . 18806 1 807 . 1 1 80 80 ARG HD2 H 1 3.053 0.01 . 1 . 961 . . 80 ARG HD2 . 18806 1 808 . 1 1 80 80 ARG HD3 H 1 3.053 0.01 . 1 . 960 . . 80 ARG HD3 . 18806 1 809 . 1 1 80 80 ARG C C 13 178.644 . . 1 . 401 . . 80 ARG C . 18806 1 810 . 1 1 80 80 ARG CA C 13 58.327 0.054 . 1 . 335 . . 80 ARG CA . 18806 1 811 . 1 1 80 80 ARG CB C 13 29.806 0.043 . 1 . 336 . . 80 ARG CB . 18806 1 812 . 1 1 80 80 ARG CG C 13 27.104 0.009 . 1 . 522 . . 80 ARG CG . 18806 1 813 . 1 1 80 80 ARG CD C 13 43.397 0.007 . 1 . 523 . . 80 ARG CD . 18806 1 814 . 1 1 80 80 ARG N N 15 116.912 0.049 . 1 . 338 . . 80 ARG N . 18806 1 815 . 1 1 81 81 ILE H H 1 7.763 0.009 . 1 . 333 . . 81 ILE H . 18806 1 816 . 1 1 81 81 ILE HA H 1 3.798 0.006 . 1 . 933 . . 81 ILE HA . 18806 1 817 . 1 1 81 81 ILE HB H 1 1.536 0.01 . 1 . 1025 . . 81 ILE HB . 18806 1 818 . 1 1 81 81 ILE HG12 H 1 0.786 0.011 . 1 . 1026 . . 81 ILE HG12 . 18806 1 819 . 1 1 81 81 ILE HG13 H 1 0.786 0.011 . 1 . 1023 . . 81 ILE HG13 . 18806 1 820 . 1 1 81 81 ILE HG21 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG21 . 18806 1 821 . 1 1 81 81 ILE HG22 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG22 . 18806 1 822 . 1 1 81 81 ILE HG23 H 1 0.443 0.011 . 1 . 1010 . . 81 ILE HG23 . 18806 1 823 . 1 1 81 81 ILE HD11 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD11 . 18806 1 824 . 1 1 81 81 ILE HD12 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD12 . 18806 1 825 . 1 1 81 81 ILE HD13 H 1 0.564 0.014 . 1 . 1011 . . 81 ILE HD13 . 18806 1 826 . 1 1 81 81 ILE C C 13 177.513 . . 1 . 399 . . 81 ILE C . 18806 1 827 . 1 1 81 81 ILE CA C 13 63.010 0.058 . 1 . 332 . . 81 ILE CA . 18806 1 828 . 1 1 81 81 ILE CB C 13 37.270 0.061 . 1 . 331 . . 81 ILE CB . 18806 1 829 . 1 1 81 81 ILE N N 15 116.941 0.024 . 1 . 334 . . 81 ILE N . 18806 1 830 . 1 1 82 82 HIS H H 1 6.975 0.013 . 1 . 329 . . 82 HIS H . 18806 1 831 . 1 1 82 82 HIS HA H 1 4.627 0.005 . 1 . 1014 . . 82 HIS HA . 18806 1 832 . 1 1 82 82 HIS HB2 H 1 3.196 0.008 . 2 . 1013 . . 82 HIS HB2 . 18806 1 833 . 1 1 82 82 HIS HB3 H 1 2.951 0.01 . 2 . 1012 . . 82 HIS HB3 . 18806 1 834 . 1 1 82 82 HIS HD2 H 1 6.516 0.008 . 1 . 1027 . . 82 HIS HD2 . 18806 1 835 . 1 1 82 82 HIS HE1 H 1 7.882 0.011 . 1 . 1029 . . 82 HIS HE1 . 18806 1 836 . 1 1 82 82 HIS C C 13 175.365 . . 1 . 398 . . 82 HIS C . 18806 1 837 . 1 1 82 82 HIS CA C 13 55.064 0.047 . 1 . 266 . . 82 HIS CA . 18806 1 838 . 1 1 82 82 HIS CB C 13 28.514 0.032 . 1 . 267 . . 82 HIS CB . 18806 1 839 . 1 1 82 82 HIS CD2 C 13 130.548 0.028 . 1 . 1028 . . 82 HIS CD2 . 18806 1 840 . 1 1 82 82 HIS CE1 C 13 142.545 0.07 . 1 . 1030 . . 82 HIS CE1 . 18806 1 841 . 1 1 82 82 HIS N N 15 117.229 0.046 . 1 . 330 . . 82 HIS N . 18806 1 842 . 1 1 83 83 SER H H 1 7.586 0.007 . 1 . 129 . . 83 SER H . 18806 1 843 . 1 1 83 83 SER HA H 1 4.261 0.01 . 1 . 930 . . 83 SER HA . 18806 1 844 . 1 1 83 83 SER HB2 H 1 3.775 0.012 . 1 . 931 . . 83 SER HB2 . 18806 1 845 . 1 1 83 83 SER HB3 H 1 3.775 0.012 . 1 . 932 . . 83 SER HB3 . 18806 1 846 . 1 1 83 83 SER C C 13 174.859 . . 1 . 397 . . 83 SER C . 18806 1 847 . 1 1 83 83 SER CA C 13 59.132 0.053 . 1 . 131 . . 83 SER CA . 18806 1 848 . 1 1 83 83 SER CB C 13 63.674 0.037 . 1 . 132 . . 83 SER CB . 18806 1 849 . 1 1 83 83 SER N N 15 114.372 0.051 . 1 . 130 . . 83 SER N . 18806 1 850 . 1 1 84 84 GLY H H 1 8.061 0.005 . 1 . 133 . . 84 GLY H . 18806 1 851 . 1 1 84 84 GLY HA2 H 1 3.816 0.013 . 1 . 629 . . 84 GLY HA2 . 18806 1 852 . 1 1 84 84 GLY HA3 H 1 3.816 0.013 . 1 . 628 . . 84 GLY HA3 . 18806 1 853 . 1 1 84 84 GLY C C 13 174.031 . . 1 . 396 . . 84 GLY C . 18806 1 854 . 1 1 84 84 GLY CA C 13 45.361 0.07 . 1 . 135 . . 84 GLY CA . 18806 1 855 . 1 1 84 84 GLY N N 15 110.203 0.018 . 1 . 134 . . 84 GLY N . 18806 1 856 . 1 1 85 85 GLU H H 1 7.881 0.01 . 1 . 136 . . 85 GLU H . 18806 1 857 . 1 1 85 85 GLU HA H 1 4.085 0.012 . 1 . 687 . . 85 GLU HA . 18806 1 858 . 1 1 85 85 GLU HB2 H 1 1.807 0.012 . 2 . 684 . . 85 GLU HB2 . 18806 1 859 . 1 1 85 85 GLU HB3 H 1 1.873 0.012 . 2 . 683 . . 85 GLU HB3 . 18806 1 860 . 1 1 85 85 GLU HG2 H 1 2.113 0.014 . 2 . 686 . . 85 GLU HG2 . 18806 1 861 . 1 1 85 85 GLU HG3 H 1 2.141 0.009 . 2 . 685 . . 85 GLU HG3 . 18806 1 862 . 1 1 85 85 GLU C C 13 176.197 . . 1 . 395 . . 85 GLU C . 18806 1 863 . 1 1 85 85 GLU CA C 13 56.641 0.071 . 1 . 138 . . 85 GLU CA . 18806 1 864 . 1 1 85 85 GLU CB C 13 30.408 0.042 . 1 . 139 . . 85 GLU CB . 18806 1 865 . 1 1 85 85 GLU CG C 13 36.140 0.054 . 1 . 521 . . 85 GLU CG . 18806 1 866 . 1 1 85 85 GLU N N 15 119.951 0.02 . 1 . 137 . . 85 GLU N . 18806 1 867 . 1 1 86 86 LYS H H 1 8.079 0.009 . 1 . 140 . . 86 LYS H . 18806 1 868 . 1 1 86 86 LYS HA H 1 4.391 0.012 . 1 . 1168 . . 86 LYS HA . 18806 1 869 . 1 1 86 86 LYS HB2 H 1 1.440 0.013 . 1 . 1169 . . 86 LYS HB2 . 18806 1 870 . 1 1 86 86 LYS HB3 H 1 1.440 0.013 . 1 . 1170 . . 86 LYS HB3 . 18806 1 871 . 1 1 86 86 LYS HG2 H 1 1.069 0.007 . 1 . 1173 . . 86 LYS HG2 . 18806 1 872 . 1 1 86 86 LYS HG3 H 1 1.069 0.007 . 1 . 1174 . . 86 LYS HG3 . 18806 1 873 . 1 1 86 86 LYS HD2 H 1 1.207 0.014 . 1 . 1172 . . 86 LYS HD2 . 18806 1 874 . 1 1 86 86 LYS HD3 H 1 1.207 0.014 . 1 . 1171 . . 86 LYS HD3 . 18806 1 875 . 1 1 86 86 LYS CA C 13 53.803 0.006 . 1 . 143 . . 86 LYS CA . 18806 1 876 . 1 1 86 86 LYS CB C 13 33.098 0.008 . 1 . 142 . . 86 LYS CB . 18806 1 877 . 1 1 86 86 LYS N N 15 121.528 0.041 . 1 . 141 . . 86 LYS N . 18806 1 878 . 1 1 87 87 PRO HA H 1 4.165 0.011 . 1 . 1158 . . 87 PRO HA . 18806 1 879 . 1 1 87 87 PRO HB2 H 1 1.871 0.014 . 1 . 1017 . . 87 PRO HB2 . 18806 1 880 . 1 1 87 87 PRO HB3 H 1 1.871 0.014 . 1 . 1018 . . 87 PRO HB3 . 18806 1 881 . 1 1 87 87 PRO HG2 H 1 1.677 0.007 . 1 . 1020 . . 87 PRO HG2 . 18806 1 882 . 1 1 87 87 PRO HG3 H 1 1.677 0.007 . 1 . 1019 . . 87 PRO HG3 . 18806 1 883 . 1 1 87 87 PRO HD2 H 1 3.451 0.009 . 1 . 1016 . . 87 PRO HD2 . 18806 1 884 . 1 1 87 87 PRO HD3 H 1 3.451 0.009 . 1 . 1015 . . 87 PRO HD3 . 18806 1 885 . 1 1 87 87 PRO C C 13 176.103 . . 1 . 394 . . 87 PRO C . 18806 1 886 . 1 1 87 87 PRO CA C 13 63.071 0.068 . 1 . 185 . . 87 PRO CA . 18806 1 887 . 1 1 87 87 PRO CB C 13 31.922 0.036 . 1 . 184 . . 87 PRO CB . 18806 1 888 . 1 1 87 87 PRO CG C 13 26.478 0.076 . 1 . 519 . . 87 PRO CG . 18806 1 889 . 1 1 87 87 PRO CD C 13 49.706 0.016 . 1 . 520 . . 87 PRO CD . 18806 1 890 . 1 1 88 88 TYR H H 1 7.917 0.006 . 1 . 180 . . 88 TYR H . 18806 1 891 . 1 1 88 88 TYR HA H 1 4.453 0.014 . 1 . 916 . . 88 TYR HA . 18806 1 892 . 1 1 88 88 TYR HB2 H 1 2.763 0.011 . 1 . 917 . . 88 TYR HB2 . 18806 1 893 . 1 1 88 88 TYR HB3 H 1 2.764 0.011 . 1 . 918 . . 88 TYR HB3 . 18806 1 894 . 1 1 88 88 TYR HD1 H 1 6.883 0.01 . 3 . 1175 . . 88 TYR HD1 . 18806 1 895 . 1 1 88 88 TYR HD2 H 1 6.883 0.01 . 3 . 1175 . . 88 TYR HD2 . 18806 1 896 . 1 1 88 88 TYR C C 13 174.419 . . 1 . 393 . . 88 TYR C . 18806 1 897 . 1 1 88 88 TYR CA C 13 57.597 0.042 . 1 . 182 . . 88 TYR CA . 18806 1 898 . 1 1 88 88 TYR CB C 13 37.762 0.058 . 1 . 183 . . 88 TYR CB . 18806 1 899 . 1 1 88 88 TYR CD1 C 13 136.067 0.026 . 3 . 1201 . . 88 TYR CD1 . 18806 1 900 . 1 1 88 88 TYR CD2 C 13 136.067 0.026 . 3 . 1201 . . 88 TYR CD2 . 18806 1 901 . 1 1 88 88 TYR N N 15 119.446 0.054 . 1 . 181 . . 88 TYR N . 18806 1 902 . 1 1 89 89 VAL H H 1 8.195 0.007 . 1 . 176 . . 89 VAL H . 18806 1 903 . 1 1 89 89 VAL HA H 1 4.578 0.011 . 1 . 722 . . 89 VAL HA . 18806 1 904 . 1 1 89 89 VAL HB H 1 1.702 0.013 . 1 . 721 . . 89 VAL HB . 18806 1 905 . 1 1 89 89 VAL HG11 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG11 . 18806 1 906 . 1 1 89 89 VAL HG12 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG12 . 18806 1 907 . 1 1 89 89 VAL HG13 H 1 0.649 0.011 . 2 . 720 . . 89 VAL HG13 . 18806 1 908 . 1 1 89 89 VAL HG21 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG21 . 18806 1 909 . 1 1 89 89 VAL HG22 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG22 . 18806 1 910 . 1 1 89 89 VAL HG23 H 1 0.599 0.013 . 2 . 719 . . 89 VAL HG23 . 18806 1 911 . 1 1 89 89 VAL C C 13 175.019 . . 1 . 392 . . 89 VAL C . 18806 1 912 . 1 1 89 89 VAL CA C 13 60.879 0.054 . 1 . 178 . . 89 VAL CA . 18806 1 913 . 1 1 89 89 VAL CB C 13 34.764 0.029 . 1 . 179 . . 89 VAL CB . 18806 1 914 . 1 1 89 89 VAL CG1 C 13 21.513 0.065 . 2 . 718 . . 89 VAL CG1 . 18806 1 915 . 1 1 89 89 VAL CG2 C 13 20.584 0.048 . 2 . 518 . . 89 VAL CG2 . 18806 1 916 . 1 1 89 89 VAL N N 15 123.957 0.037 . 1 . 177 . . 89 VAL N . 18806 1 917 . 1 1 90 90 CYS H H 1 8.869 0.009 . 1 . 172 . . 90 CYS H . 18806 1 918 . 1 1 90 90 CYS HA H 1 4.504 0.013 . 1 . 692 . . 90 CYS HA . 18806 1 919 . 1 1 90 90 CYS HB2 H 1 2.753 0.012 . 2 . 694 . . 90 CYS HB2 . 18806 1 920 . 1 1 90 90 CYS HB3 H 1 3.275 0.01 . 2 . 693 . . 90 CYS HB3 . 18806 1 921 . 1 1 90 90 CYS C C 13 177.110 . . 1 . 391 . . 90 CYS C . 18806 1 922 . 1 1 90 90 CYS CA C 13 59.226 0.065 . 1 . 174 . . 90 CYS CA . 18806 1 923 . 1 1 90 90 CYS CB C 13 29.983 0.071 . 1 . 175 . . 90 CYS CB . 18806 1 924 . 1 1 90 90 CYS N N 15 128.789 0.03 . 1 . 173 . . 90 CYS N . 18806 1 925 . 1 1 91 91 ILE H H 1 8.687 0.007 . 1 . 168 . . 91 ILE H . 18806 1 926 . 1 1 91 91 ILE HA H 1 3.915 0.01 . 1 . 1078 . . 91 ILE HA . 18806 1 927 . 1 1 91 91 ILE HB H 1 1.700 0.007 . 1 . 1079 . . 91 ILE HB . 18806 1 928 . 1 1 91 91 ILE HG12 H 1 0.957 0.012 . 1 . 1080 . . 91 ILE HG12 . 18806 1 929 . 1 1 91 91 ILE HG13 H 1 0.957 0.012 . 1 . 1081 . . 91 ILE HG13 . 18806 1 930 . 1 1 91 91 ILE HG21 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG21 . 18806 1 931 . 1 1 91 91 ILE HG22 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG22 . 18806 1 932 . 1 1 91 91 ILE HG23 H 1 0.625 0.009 . 1 . 1082 . . 91 ILE HG23 . 18806 1 933 . 1 1 91 91 ILE HD11 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD11 . 18806 1 934 . 1 1 91 91 ILE HD12 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD12 . 18806 1 935 . 1 1 91 91 ILE HD13 H 1 0.749 0.007 . 1 . 1199 . . 91 ILE HD13 . 18806 1 936 . 1 1 91 91 ILE C C 13 175.617 . . 1 . 485 . . 91 ILE C . 18806 1 937 . 1 1 91 91 ILE CA C 13 62.872 0.064 . 1 . 170 . . 91 ILE CA . 18806 1 938 . 1 1 91 91 ILE CB C 13 37.599 0.048 . 1 . 171 . . 91 ILE CB . 18806 1 939 . 1 1 91 91 ILE CG1 C 13 28.529 . . 1 . 590 . . 91 ILE CG1 . 18806 1 940 . 1 1 91 91 ILE CG2 C 13 17.542 0.027 . 1 . 591 . . 91 ILE CG2 . 18806 1 941 . 1 1 91 91 ILE CD1 C 13 13.948 . . 1 . 592 . . 91 ILE CD1 . 18806 1 942 . 1 1 91 91 ILE N N 15 128.330 0.035 . 1 . 169 . . 91 ILE N . 18806 1 943 . 1 1 92 92 HIS H H 1 8.526 0.015 . 1 . 483 . . 92 HIS H . 18806 1 944 . 1 1 92 92 HIS HA H 1 4.204 0.013 . 1 . 888 . . 92 HIS HA . 18806 1 945 . 1 1 92 92 HIS HB2 H 1 1.768 0.013 . 2 . 1176 . . 92 HIS HB2 . 18806 1 946 . 1 1 92 92 HIS HB3 H 1 2.205 0.013 . 2 . 1077 . . 92 HIS HB3 . 18806 1 947 . 1 1 92 92 HIS C C 13 176.698 . . 1 . 390 . . 92 HIS C . 18806 1 948 . 1 1 92 92 HIS CA C 13 57.915 0.038 . 1 . 264 . . 92 HIS CA . 18806 1 949 . 1 1 92 92 HIS CB C 13 29.583 0.068 . 1 . 265 . . 92 HIS CB . 18806 1 950 . 1 1 92 92 HIS N N 15 121.590 0.059 . 1 . 484 . . 92 HIS N . 18806 1 951 . 1 1 93 93 CYS H H 1 7.958 0.013 . 1 . 213 . . 93 CYS H . 18806 1 952 . 1 1 93 93 CYS HA H 1 5.023 0.007 . 1 . 885 . . 93 CYS HA . 18806 1 953 . 1 1 93 93 CYS HB2 H 1 3.312 0.015 . 2 . 887 . . 93 CYS HB2 . 18806 1 954 . 1 1 93 93 CYS HB3 H 1 2.723 0.014 . 2 . 886 . . 93 CYS HB3 . 18806 1 955 . 1 1 93 93 CYS C C 13 174.973 . . 1 . 389 . . 93 CYS C . 18806 1 956 . 1 1 93 93 CYS CA C 13 58.432 0.033 . 1 . 215 . . 93 CYS CA . 18806 1 957 . 1 1 93 93 CYS CB C 13 32.158 0.072 . 1 . 216 . . 93 CYS CB . 18806 1 958 . 1 1 93 93 CYS N N 15 115.876 0.021 . 1 . 214 . . 93 CYS N . 18806 1 959 . 1 1 94 94 GLN H H 1 8.178 0.011 . 1 . 217 . . 94 GLN H . 18806 1 960 . 1 1 94 94 GLN HA H 1 3.876 0.012 . 1 . 738 . . 94 GLN HA . 18806 1 961 . 1 1 94 94 GLN HB2 H 1 2.306 0.011 . 2 . 737 . . 94 GLN HB2 . 18806 1 962 . 1 1 94 94 GLN HB3 H 1 2.186 0.007 . 2 . 736 . . 94 GLN HB3 . 18806 1 963 . 1 1 94 94 GLN HG2 H 1 2.099 0.015 . 1 . 734 . . 94 GLN HG2 . 18806 1 964 . 1 1 94 94 GLN HG3 H 1 2.099 0.015 . 1 . 735 . . 94 GLN HG3 . 18806 1 965 . 1 1 94 94 GLN HE21 H 1 7.129 0.01 . 1 . 859 . . 94 GLN HE21 . 18806 1 966 . 1 1 94 94 GLN HE22 H 1 6.368 0.004 . 1 . 842 . . 94 GLN HE22 . 18806 1 967 . 1 1 94 94 GLN C C 13 174.707 . . 1 . 388 . . 94 GLN C . 18806 1 968 . 1 1 94 94 GLN CA C 13 58.288 0.073 . 1 . 220 . . 94 GLN CA . 18806 1 969 . 1 1 94 94 GLN CB C 13 25.429 0.055 . 1 . 219 . . 94 GLN CB . 18806 1 970 . 1 1 94 94 GLN CG C 13 34.360 0.054 . 1 . 517 . . 94 GLN CG . 18806 1 971 . 1 1 94 94 GLN N N 15 116.348 0.034 . 1 . 218 . . 94 GLN N . 18806 1 972 . 1 1 94 94 GLN NE2 N 15 112.157 0.053 . 1 . 860 . . 94 GLN NE2 . 18806 1 973 . 1 1 95 95 ARG H H 1 7.856 0.011 . 1 . 221 . . 95 ARG H . 18806 1 974 . 1 1 95 95 ARG HA H 1 3.927 0.012 . 1 . 698 . . 95 ARG HA . 18806 1 975 . 1 1 95 95 ARG HB2 H 1 1.354 0.012 . 2 . 704 . . 95 ARG HB2 . 18806 1 976 . 1 1 95 95 ARG HB3 H 1 1.201 0.015 . 2 . 705 . . 95 ARG HB3 . 18806 1 977 . 1 1 95 95 ARG HG2 H 1 1.705 0.011 . 2 . 711 . . 95 ARG HG2 . 18806 1 978 . 1 1 95 95 ARG HG3 H 1 1.671 0.015 . 2 . 712 . . 95 ARG HG3 . 18806 1 979 . 1 1 95 95 ARG HD2 H 1 2.758 0.009 . 2 . 702 . . 95 ARG HD2 . 18806 1 980 . 1 1 95 95 ARG HD3 H 1 2.976 0.008 . 2 . 703 . . 95 ARG HD3 . 18806 1 981 . 1 1 95 95 ARG C C 13 174.113 . . 1 . 387 . . 95 ARG C . 18806 1 982 . 1 1 95 95 ARG CA C 13 57.979 0.031 . 1 . 223 . . 95 ARG CA . 18806 1 983 . 1 1 95 95 ARG CB C 13 31.403 0.038 . 1 . 224 . . 95 ARG CB . 18806 1 984 . 1 1 95 95 ARG CG C 13 28.398 0.018 . 1 . 515 . . 95 ARG CG . 18806 1 985 . 1 1 95 95 ARG CD C 13 43.547 0.078 . 1 . 516 . . 95 ARG CD . 18806 1 986 . 1 1 95 95 ARG N N 15 121.105 0.053 . 1 . 222 . . 95 ARG N . 18806 1 987 . 1 1 96 96 GLN H H 1 7.833 0.007 . 1 . 225 . . 96 GLN H . 18806 1 988 . 1 1 96 96 GLN HA H 1 4.845 0.011 . 1 . 913 . . 96 GLN HA . 18806 1 989 . 1 1 96 96 GLN HB2 H 1 2.034 0.014 . 1 . 1075 . . 96 GLN HB2 . 18806 1 990 . 1 1 96 96 GLN HB3 H 1 2.034 0.014 . 1 . 1074 . . 96 GLN HB3 . 18806 1 991 . 1 1 96 96 GLN HG2 H 1 2.189 0.012 . 1 . 1072 . . 96 GLN HG2 . 18806 1 992 . 1 1 96 96 GLN HG3 H 1 2.189 0.012 . 1 . 1073 . . 96 GLN HG3 . 18806 1 993 . 1 1 96 96 GLN C C 13 174.982 . . 1 . 386 . . 96 GLN C . 18806 1 994 . 1 1 96 96 GLN CA C 13 54.273 0.056 . 1 . 228 . . 96 GLN CA . 18806 1 995 . 1 1 96 96 GLN CB C 13 31.188 0.035 . 1 . 227 . . 96 GLN CB . 18806 1 996 . 1 1 96 96 GLN CG C 13 34.060 . . 1 . 514 . . 96 GLN CG . 18806 1 997 . 1 1 96 96 GLN N N 15 119.070 0.045 . 1 . 226 . . 96 GLN N . 18806 1 998 . 1 1 97 97 PHE H H 1 8.875 0.008 . 1 . 22 . . 97 PHE H . 18806 1 999 . 1 1 97 97 PHE HA H 1 4.456 0.014 . 1 . 914 . . 97 PHE HA . 18806 1 1000 . 1 1 97 97 PHE HB2 H 1 2.596 0.009 . 2 . 1071 . . 97 PHE HB2 . 18806 1 1001 . 1 1 97 97 PHE HB3 H 1 3.114 0.011 . 2 . 915 . . 97 PHE HB3 . 18806 1 1002 . 1 1 97 97 PHE HD1 H 1 7.039 0.012 . 3 . 942 . . 97 PHE HD1 . 18806 1 1003 . 1 1 97 97 PHE HD2 H 1 7.039 0.012 . 3 . 942 . . 97 PHE HD2 . 18806 1 1004 . 1 1 97 97 PHE HE1 H 1 6.665 0.002 . 3 . 1223 . . 97 PHE HE1 . 18806 1 1005 . 1 1 97 97 PHE HE2 H 1 6.665 0.002 . 3 . 1223 . . 97 PHE HE2 . 18806 1 1006 . 1 1 97 97 PHE HZ H 1 5.869 0.005 . 1 . 1203 . . 97 PHE HZ . 18806 1 1007 . 1 1 97 97 PHE C C 13 174.888 . . 1 . 385 . . 97 PHE C . 18806 1 1008 . 1 1 97 97 PHE CA C 13 57.285 0.011 . 1 . 24 . . 97 PHE CA . 18806 1 1009 . 1 1 97 97 PHE CB C 13 43.463 0.069 . 1 . 25 . . 97 PHE CB . 18806 1 1010 . 1 1 97 97 PHE CD1 C 13 135.172 0.041 . 3 . 1202 . . 97 PHE CD1 . 18806 1 1011 . 1 1 97 97 PHE CD2 C 13 135.172 0.041 . 3 . 1202 . . 97 PHE CD2 . 18806 1 1012 . 1 1 97 97 PHE CZ C 13 131.433 0.017 . 1 . 1224 . . 97 PHE CZ . 18806 1 1013 . 1 1 97 97 PHE N N 15 118.706 0.052 . 1 . 23 . . 97 PHE N . 18806 1 1014 . 1 1 98 98 ALA H H 1 9.019 0.01 . 1 . 18 . . 98 ALA H . 18806 1 1015 . 1 1 98 98 ALA HA H 1 4.462 0.014 . 1 . 615 . . 98 ALA HA . 18806 1 1016 . 1 1 98 98 ALA HB1 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB1 . 18806 1 1017 . 1 1 98 98 ALA HB2 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB2 . 18806 1 1018 . 1 1 98 98 ALA HB3 H 1 1.454 0.011 . 1 . 614 . . 98 ALA HB3 . 18806 1 1019 . 1 1 98 98 ALA C C 13 176.342 . . 1 . 384 . . 98 ALA C . 18806 1 1020 . 1 1 98 98 ALA CA C 13 53.297 0.015 . 1 . 20 . . 98 ALA CA . 18806 1 1021 . 1 1 98 98 ALA CB C 13 19.970 0.057 . 1 . 21 . . 98 ALA CB . 18806 1 1022 . 1 1 98 98 ALA N N 15 121.599 0.032 . 1 . 19 . . 98 ALA N . 18806 1 1023 . 1 1 99 99 ASP H H 1 7.323 0.006 . 1 . 14 . . 99 ASP H . 18806 1 1024 . 1 1 99 99 ASP HA H 1 4.742 0.013 . 1 . 642 . . 99 ASP HA . 18806 1 1025 . 1 1 99 99 ASP HB2 H 1 2.535 0.014 . 2 . 641 . . 99 ASP HB2 . 18806 1 1026 . 1 1 99 99 ASP HB3 H 1 2.666 0.013 . 2 . 640 . . 99 ASP HB3 . 18806 1 1027 . 1 1 99 99 ASP CA C 13 51.162 0.064 . 1 . 16 . . 99 ASP CA . 18806 1 1028 . 1 1 99 99 ASP CB C 13 42.663 0.035 . 1 . 17 . . 99 ASP CB . 18806 1 1029 . 1 1 99 99 ASP N N 15 114.064 0.051 . 1 . 15 . . 99 ASP N . 18806 1 1030 . 1 1 100 100 PRO HA H 1 3.463 0.014 . 1 . 924 . . 100 PRO HA . 18806 1 1031 . 1 1 100 100 PRO HB2 H 1 1.712 0.012 . 2 . 634 . . 100 PRO HB2 . 18806 1 1032 . 1 1 100 100 PRO HB3 H 1 1.641 0.011 . 2 . 635 . . 100 PRO HB3 . 18806 1 1033 . 1 1 100 100 PRO HG2 H 1 1.556 0.007 . 2 . 637 . . 100 PRO HG2 . 18806 1 1034 . 1 1 100 100 PRO HG3 H 1 1.811 0.014 . 2 . 636 . . 100 PRO HG3 . 18806 1 1035 . 1 1 100 100 PRO HD2 H 1 3.025 0.008 . 2 . 633 . . 100 PRO HD2 . 18806 1 1036 . 1 1 100 100 PRO HD3 H 1 3.617 0.01 . 2 . 632 . . 100 PRO HD3 . 18806 1 1037 . 1 1 100 100 PRO C C 13 178.935 . . 1 . 383 . . 100 PRO C . 18806 1 1038 . 1 1 100 100 PRO CA C 13 64.030 0.075 . 1 . 12 . . 100 PRO CA . 18806 1 1039 . 1 1 100 100 PRO CB C 13 31.142 0.071 . 1 . 13 . . 100 PRO CB . 18806 1 1040 . 1 1 100 100 PRO CG C 13 26.824 0.024 . 1 . 512 . . 100 PRO CG . 18806 1 1041 . 1 1 100 100 PRO CD C 13 50.016 0.034 . 1 . 513 . . 100 PRO CD . 18806 1 1042 . 1 1 101 101 GLY H H 1 8.262 0.01 . 1 . 9 . . 101 GLY H . 18806 1 1043 . 1 1 101 101 GLY HA2 H 1 3.630 0.011 . 1 . 803 . . 101 GLY HA2 . 18806 1 1044 . 1 1 101 101 GLY HA3 H 1 3.630 0.011 . 1 . 804 . . 101 GLY HA3 . 18806 1 1045 . 1 1 101 101 GLY C C 13 175.852 . . 1 . 382 . . 101 GLY C . 18806 1 1046 . 1 1 101 101 GLY CA C 13 46.678 0.054 . 1 . 11 . . 101 GLY CA . 18806 1 1047 . 1 1 101 101 GLY N N 15 110.226 0.057 . 1 . 10 . . 101 GLY N . 18806 1 1048 . 1 1 102 102 ALA H H 1 8.019 0.005 . 1 . 5 . . 102 ALA H . 18806 1 1049 . 1 1 102 102 ALA HA H 1 3.817 0.012 . 1 . 610 . . 102 ALA HA . 18806 1 1050 . 1 1 102 102 ALA HB1 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB1 . 18806 1 1051 . 1 1 102 102 ALA HB2 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB2 . 18806 1 1052 . 1 1 102 102 ALA HB3 H 1 1.465 0.011 . 1 . 611 . . 102 ALA HB3 . 18806 1 1053 . 1 1 102 102 ALA C C 13 180.540 . . 1 . 381 . . 102 ALA C . 18806 1 1054 . 1 1 102 102 ALA CA C 13 54.496 0.046 . 1 . 7 . . 102 ALA CA . 18806 1 1055 . 1 1 102 102 ALA CB C 13 18.812 0.071 . 1 . 8 . . 102 ALA CB . 18806 1 1056 . 1 1 102 102 ALA N N 15 125.555 0.035 . 1 . 6 . . 102 ALA N . 18806 1 1057 . 1 1 103 103 LEU H H 1 6.789 0.009 . 1 . 1 . . 103 LEU H . 18806 1 1058 . 1 1 103 103 LEU HA H 1 2.975 0.008 . 1 . 1070 . . 103 LEU HA . 18806 1 1059 . 1 1 103 103 LEU HB2 H 1 1.706 0.013 . 2 . 925 . . 103 LEU HB2 . 18806 1 1060 . 1 1 103 103 LEU HB3 H 1 1.029 0.009 . 2 . 926 . . 103 LEU HB3 . 18806 1 1061 . 1 1 103 103 LEU HG H 1 1.429 0.01 . 1 . 929 . . 103 LEU HG . 18806 1 1062 . 1 1 103 103 LEU HD11 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD11 . 18806 1 1063 . 1 1 103 103 LEU HD12 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD12 . 18806 1 1064 . 1 1 103 103 LEU HD13 H 1 0.775 0.01 . 2 . 928 . . 103 LEU HD13 . 18806 1 1065 . 1 1 103 103 LEU HD21 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD21 . 18806 1 1066 . 1 1 103 103 LEU HD22 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD22 . 18806 1 1067 . 1 1 103 103 LEU HD23 H 1 0.864 0.015 . 2 . 927 . . 103 LEU HD23 . 18806 1 1068 . 1 1 103 103 LEU C C 13 176.809 . . 1 . 380 . . 103 LEU C . 18806 1 1069 . 1 1 103 103 LEU CA C 13 57.588 0.064 . 1 . 3 . . 103 LEU CA . 18806 1 1070 . 1 1 103 103 LEU CB C 13 40.519 0.066 . 1 . 4 . . 103 LEU CB . 18806 1 1071 . 1 1 103 103 LEU CG C 13 26.606 . . 1 . 510 . . 103 LEU CG . 18806 1 1072 . 1 1 103 103 LEU CD1 C 13 23.066 0.038 . 2 . 950 . . 103 LEU CD1 . 18806 1 1073 . 1 1 103 103 LEU CD2 C 13 23.359 0.026 . 2 . 509 . . 103 LEU CD2 . 18806 1 1074 . 1 1 103 103 LEU N N 15 118.329 0.033 . 1 . 2 . . 103 LEU N . 18806 1 1075 . 1 1 104 104 GLN H H 1 7.861 0.009 . 1 . 201 . . 104 GLN H . 18806 1 1076 . 1 1 104 104 GLN HA H 1 3.800 0.011 . 1 . 678 . . 104 GLN HA . 18806 1 1077 . 1 1 104 104 GLN HB2 H 1 1.990 0.014 . 1 . 681 . . 104 GLN HB2 . 18806 1 1078 . 1 1 104 104 GLN HB3 H 1 1.990 0.014 . 1 . 682 . . 104 GLN HB3 . 18806 1 1079 . 1 1 104 104 GLN HG2 H 1 2.220 0.015 . 2 . 680 . . 104 GLN HG2 . 18806 1 1080 . 1 1 104 104 GLN HG3 H 1 2.304 0.009 . 2 . 679 . . 104 GLN HG3 . 18806 1 1081 . 1 1 104 104 GLN HE21 H 1 6.657 0.015 . 1 . 861 . . 104 GLN HE21 . 18806 1 1082 . 1 1 104 104 GLN HE22 H 1 7.476 0.011 . 1 . 849 . . 104 GLN HE22 . 18806 1 1083 . 1 1 104 104 GLN C C 13 178.340 . . 1 . 379 . . 104 GLN C . 18806 1 1084 . 1 1 104 104 GLN CA C 13 58.869 0.057 . 1 . 203 . . 104 GLN CA . 18806 1 1085 . 1 1 104 104 GLN CB C 13 27.988 0.053 . 1 . 204 . . 104 GLN CB . 18806 1 1086 . 1 1 104 104 GLN CG C 13 33.706 0.078 . 1 . 508 . . 104 GLN CG . 18806 1 1087 . 1 1 104 104 GLN N N 15 118.337 0.053 . 1 . 202 . . 104 GLN N . 18806 1 1088 . 1 1 104 104 GLN NE2 N 15 111.002 0.052 . 1 . 850 . . 104 GLN NE2 . 18806 1 1089 . 1 1 105 105 ARG H H 1 7.707 0.005 . 1 . 197 . . 105 ARG H . 18806 1 1090 . 1 1 105 105 ARG HA H 1 3.815 0.009 . 1 . 1069 . . 105 ARG HA . 18806 1 1091 . 1 1 105 105 ARG HB2 H 1 1.640 0.011 . 1 . 922 . . 105 ARG HB2 . 18806 1 1092 . 1 1 105 105 ARG HB3 H 1 1.639 0.011 . 1 . 923 . . 105 ARG HB3 . 18806 1 1093 . 1 1 105 105 ARG HG2 H 1 1.332 0.008 . 1 . 955 . . 105 ARG HG2 . 18806 1 1094 . 1 1 105 105 ARG HG3 H 1 1.332 0.008 . 1 . 954 . . 105 ARG HG3 . 18806 1 1095 . 1 1 105 105 ARG HD2 H 1 3.062 0.008 . 1 . 1068 . . 105 ARG HD2 . 18806 1 1096 . 1 1 105 105 ARG HD3 H 1 3.062 0.008 . 1 . 1067 . . 105 ARG HD3 . 18806 1 1097 . 1 1 105 105 ARG C C 13 178.351 . . 1 . 378 . . 105 ARG C . 18806 1 1098 . 1 1 105 105 ARG CA C 13 58.968 0.054 . 1 . 199 . . 105 ARG CA . 18806 1 1099 . 1 1 105 105 ARG CB C 13 30.210 0.055 . 1 . 200 . . 105 ARG CB . 18806 1 1100 . 1 1 105 105 ARG CG C 13 28.003 0.008 . 1 . 506 . . 105 ARG CG . 18806 1 1101 . 1 1 105 105 ARG CD C 13 43.004 0.009 . 1 . 507 . . 105 ARG CD . 18806 1 1102 . 1 1 105 105 ARG N N 15 116.516 0.04 . 1 . 198 . . 105 ARG N . 18806 1 1103 . 1 1 106 106 HIS H H 1 7.363 0.01 . 1 . 194 . . 106 HIS H . 18806 1 1104 . 1 1 106 106 HIS HA H 1 4.103 0.014 . 1 . 723 . . 106 HIS HA . 18806 1 1105 . 1 1 106 106 HIS HB2 H 1 2.703 0.011 . 2 . 908 . . 106 HIS HB2 . 18806 1 1106 . 1 1 106 106 HIS HB3 H 1 2.900 0.01 . 2 . 907 . . 106 HIS HB3 . 18806 1 1107 . 1 1 106 106 HIS HD2 H 1 6.681 0.004 . 1 . 1200 . . 106 HIS HD2 . 18806 1 1108 . 1 1 106 106 HIS HE1 H 1 7.878 . . 1 . 1225 . . 106 HIS HE1 . 18806 1 1109 . 1 1 106 106 HIS C C 13 176.619 . . 1 . 377 . . 106 HIS C . 18806 1 1110 . 1 1 106 106 HIS CA C 13 59.059 0.077 . 1 . 195 . . 106 HIS CA . 18806 1 1111 . 1 1 106 106 HIS CB C 13 28.524 0.075 . 1 . 196 . . 106 HIS CB . 18806 1 1112 . 1 1 106 106 HIS N N 15 118.237 0.053 . 1 . 909 . . 106 HIS N . 18806 1 1113 . 1 1 107 107 VAL H H 1 8.352 0.008 . 1 . 164 . . 107 VAL H . 18806 1 1114 . 1 1 107 107 VAL HA H 1 3.473 0.012 . 1 . 717 . . 107 VAL HA . 18806 1 1115 . 1 1 107 107 VAL HB H 1 2.207 0.014 . 1 . 716 . . 107 VAL HB . 18806 1 1116 . 1 1 107 107 VAL HG11 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG11 . 18806 1 1117 . 1 1 107 107 VAL HG12 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG12 . 18806 1 1118 . 1 1 107 107 VAL HG13 H 1 1.257 0.013 . 2 . 715 . . 107 VAL HG13 . 18806 1 1119 . 1 1 107 107 VAL HG21 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG21 . 18806 1 1120 . 1 1 107 107 VAL HG22 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG22 . 18806 1 1121 . 1 1 107 107 VAL HG23 H 1 1.191 0.014 . 2 . 714 . . 107 VAL HG23 . 18806 1 1122 . 1 1 107 107 VAL C C 13 176.810 . . 1 . 376 . . 107 VAL C . 18806 1 1123 . 1 1 107 107 VAL CA C 13 66.042 0.036 . 1 . 166 . . 107 VAL CA . 18806 1 1124 . 1 1 107 107 VAL CB C 13 31.888 0.07 . 1 . 167 . . 107 VAL CB . 18806 1 1125 . 1 1 107 107 VAL CG1 C 13 22.376 0.024 . 2 . 713 . . 107 VAL CG1 . 18806 1 1126 . 1 1 107 107 VAL CG2 C 13 21.848 0.048 . 2 . 511 . . 107 VAL CG2 . 18806 1 1127 . 1 1 107 107 VAL N N 15 114.907 0.041 . 1 . 165 . . 107 VAL N . 18806 1 1128 . 1 1 108 108 ARG H H 1 6.735 0.008 . 1 . 160 . . 108 ARG H . 18806 1 1129 . 1 1 108 108 ARG HA H 1 4.002 0.009 . 1 . 919 . . 108 ARG HA . 18806 1 1130 . 1 1 108 108 ARG HB2 H 1 1.614 0.008 . 1 . 920 . . 108 ARG HB2 . 18806 1 1131 . 1 1 108 108 ARG HB3 H 1 1.614 0.008 . 1 . 921 . . 108 ARG HB3 . 18806 1 1132 . 1 1 108 108 ARG HG2 H 1 1.515 0.01 . 1 . 952 . . 108 ARG HG2 . 18806 1 1133 . 1 1 108 108 ARG HG3 H 1 1.515 0.01 . 1 . 953 . . 108 ARG HG3 . 18806 1 1134 . 1 1 108 108 ARG HD2 H 1 3.048 0.007 . 1 . 1177 . . 108 ARG HD2 . 18806 1 1135 . 1 1 108 108 ARG HD3 H 1 3.048 0.007 . 1 . 1178 . . 108 ARG HD3 . 18806 1 1136 . 1 1 108 108 ARG C C 13 178.341 . . 1 . 375 . . 108 ARG C . 18806 1 1137 . 1 1 108 108 ARG CA C 13 57.871 0.067 . 1 . 162 . . 108 ARG CA . 18806 1 1138 . 1 1 108 108 ARG CB C 13 29.759 0.041 . 1 . 163 . . 108 ARG CB . 18806 1 1139 . 1 1 108 108 ARG CG C 13 27.003 0.006 . 1 . 504 . . 108 ARG CG . 18806 1 1140 . 1 1 108 108 ARG CD C 13 43.062 0.065 . 1 . 505 . . 108 ARG CD . 18806 1 1141 . 1 1 108 108 ARG N N 15 117.784 0.052 . 1 . 161 . . 108 ARG N . 18806 1 1142 . 1 1 109 109 ILE H H 1 7.712 0.01 . 1 . 296 . . 109 ILE H . 18806 1 1143 . 1 1 109 109 ILE HA H 1 3.813 0.015 . 1 . 605 . . 109 ILE HA . 18806 1 1144 . 1 1 109 109 ILE HB H 1 1.548 0.013 . 1 . 604 . . 109 ILE HB . 18806 1 1145 . 1 1 109 109 ILE HG12 H 1 0.754 0.015 . 2 . 603 . . 109 ILE HG12 . 18806 1 1146 . 1 1 109 109 ILE HG13 H 1 0.815 0.015 . 2 . 602 . . 109 ILE HG13 . 18806 1 1147 . 1 1 109 109 ILE HG21 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG21 . 18806 1 1148 . 1 1 109 109 ILE HG22 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG22 . 18806 1 1149 . 1 1 109 109 ILE HG23 H 1 0.441 0.015 . 1 . 600 . . 109 ILE HG23 . 18806 1 1150 . 1 1 109 109 ILE HD11 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD11 . 18806 1 1151 . 1 1 109 109 ILE HD12 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD12 . 18806 1 1152 . 1 1 109 109 ILE HD13 H 1 0.526 0.013 . 1 . 601 . . 109 ILE HD13 . 18806 1 1153 . 1 1 109 109 ILE C C 13 176.877 . . 1 . 374 . . 109 ILE C . 18806 1 1154 . 1 1 109 109 ILE CA C 13 63.016 0.054 . 1 . 295 . . 109 ILE CA . 18806 1 1155 . 1 1 109 109 ILE CB C 13 37.442 0.052 . 1 . 294 . . 109 ILE CB . 18806 1 1156 . 1 1 109 109 ILE CG1 C 13 26.404 0.037 . 1 . 501 . . 109 ILE CG1 . 18806 1 1157 . 1 1 109 109 ILE CG2 C 13 16.582 0.078 . 1 . 502 . . 109 ILE CG2 . 18806 1 1158 . 1 1 109 109 ILE CD1 C 13 14.638 0.053 . 1 . 503 . . 109 ILE CD1 . 18806 1 1159 . 1 1 109 109 ILE N N 15 116.281 0.024 . 1 . 297 . . 109 ILE N . 18806 1 1160 . 1 1 110 110 HIS H H 1 7.299 0.008 . 1 . 292 . . 110 HIS H . 18806 1 1161 . 1 1 110 110 HIS HA H 1 4.476 0.015 . 1 . 897 . . 110 HIS HA . 18806 1 1162 . 1 1 110 110 HIS HB2 H 1 2.600 0.01 . 2 . 899 . . 110 HIS HB2 . 18806 1 1163 . 1 1 110 110 HIS HB3 H 1 2.481 0.002 . 2 . 898 . . 110 HIS HB3 . 18806 1 1164 . 1 1 110 110 HIS HD2 H 1 6.574 0.009 . 1 . 1229 . . 110 HIS HD2 . 18806 1 1165 . 1 1 110 110 HIS HE1 H 1 7.913 . . 1 . 1230 . . 110 HIS HE1 . 18806 1 1166 . 1 1 110 110 HIS C C 13 175.597 . . 1 . 373 . . 110 HIS C . 18806 1 1167 . 1 1 110 110 HIS CA C 13 55.290 0.016 . 1 . 262 . . 110 HIS CA . 18806 1 1168 . 1 1 110 110 HIS CB C 13 28.463 0.032 . 1 . 263 . . 110 HIS CB . 18806 1 1169 . 1 1 110 110 HIS CD2 C 13 131.677 0.047 . 1 . 1228 . . 110 HIS CD2 . 18806 1 1170 . 1 1 110 110 HIS N N 15 117.512 0.029 . 1 . 293 . . 110 HIS N . 18806 1 1171 . 1 1 111 111 THR H H 1 7.528 0.012 . 1 . 146 . . 111 THR H . 18806 1 1172 . 1 1 111 111 THR HA H 1 4.135 0.015 . 1 . 620 . . 111 THR HA . 18806 1 1173 . 1 1 111 111 THR HB H 1 4.176 0.014 . 1 . 621 . . 111 THR HB . 18806 1 1174 . 1 1 111 111 THR HG21 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG21 . 18806 1 1175 . 1 1 111 111 THR HG22 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG22 . 18806 1 1176 . 1 1 111 111 THR HG23 H 1 0.991 0.014 . 1 . 619 . . 111 THR HG23 . 18806 1 1177 . 1 1 111 111 THR C C 13 174.740 . . 1 . 372 . . 111 THR C . 18806 1 1178 . 1 1 111 111 THR CA C 13 62.068 0.059 . 1 . 148 . . 111 THR CA . 18806 1 1179 . 1 1 111 111 THR CB C 13 69.863 0.068 . 1 . 149 . . 111 THR CB . 18806 1 1180 . 1 1 111 111 THR CG2 C 13 21.179 0.058 . 1 . 500 . . 111 THR CG2 . 18806 1 1181 . 1 1 111 111 THR N N 15 109.948 0.055 . 1 . 147 . . 111 THR N . 18806 1 1182 . 1 1 112 112 GLY H H 1 7.878 0.009 . 1 . 144 . . 112 GLY H . 18806 1 1183 . 1 1 112 112 GLY HA2 H 1 3.751 0.011 . 2 . 880 . . 112 GLY HA2 . 18806 1 1184 . 1 1 112 112 GLY HA3 H 1 3.548 0.014 . 2 . 878 . . 112 GLY HA3 . 18806 1 1185 . 1 1 112 112 GLY CA C 13 46.168 0.065 . 1 . 879 . . 112 GLY CA . 18806 1 1186 . 1 1 112 112 GLY N N 15 117.415 0.04 . 1 . 145 . . 112 GLY N . 18806 1 stop_ save_