data_5220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5220 _Entry.Title ; Solution Structure and dynamics of melanoma inhibitory activity protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-11-29 _Entry.Accession_date 2001-11-29 _Entry.Last_release_date 2001-11-29 _Entry.Original_release_date 2001-11-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Lougheed . C. . . 5220 2 P. Domaille . J. . . 5220 3 T. Handel . M. . . 5220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 5220 '15N chemical shifts' 115 5220 '1H chemical shifts' 764 5220 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-23 . original BMRB . 5220 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5220 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21986766 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure and Dynamics of Melanoma Inhibitory Activity Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 3 _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 211 _Citation.Page_last 223 _Citation.Year 2002 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Lougheed . C. . . 5220 1 2 P. Domaille . J. . . 5220 1 3 T. Handel . M. . . 5220 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD-RAP 5220 1 MIA 5220 1 'SH3 subdomain' 5220 1 'ambiguous restraints' 5220 1 'automated NOE assignments' 5220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MIA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MIA _Assembly.Entry_ID 5220 _Assembly.ID 1 _Assembly.Name 'Melanoma Inhibitory Activity Protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5220 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Melanoma Inhibitory Activity Protein' 1 $MIA . . . native . . . . . 5220 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . . . 5220 1 2 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 107 107 SG . . . . . . . . . . . . 5220 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1K0X . . . . . . 5220 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MIA abbreviation 5220 1 'Melanoma Inhibitory Activity Protein' system 5220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MIA _Entity.Sf_category entity _Entity.Sf_framecode MIA _Entity.Entry_ID 5220 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'melanoma inhibitory activity protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGPMPKLADRKLCADQECSH PISMAVALQDYMAPDCRFLT IHRGQVVYVFSKLKGRGRLF WGGSVQGDYYGDLAARLGYF PSSIVREDQTLKPGKVDVKT DKWDFYCQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12237 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'homology to SH3 domains' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 4731 . 'human melanoma inhibitory activity protein' . . . . . 100.00 108 100.00 100.00 9.09e-58 . . . . 5220 1 . no PDB 1HJD . 'Melanoma Inhibitory Activity (Mia) Protein' . . . . . 92.59 101 100.00 100.00 9.89e-53 . . . . 5220 1 . no PDB 1I1J . 'Structure Of Melanoma Inhibitory Activity Protein: A Member Of A New Family Of Secreted Proteins' . . . . . 100.00 108 100.00 100.00 9.09e-58 . . . . 5220 1 . no PDB 1K0X . 'Solution Structure Of Melanoma Inhibitory Activity Protein' . . . . . 100.00 108 100.00 100.00 9.09e-58 . . . . 5220 1 . no DBJ BAG63518 . 'unnamed protein product [Homo sapiens]' . . . . . 92.59 131 100.00 100.00 1.83e-52 . . . . 5220 1 . no EMBL CAA53203 . 'melanoma derived growth regulatory protein MIA [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no EMBL CAA59195 . 'melanoma growth regulatory protein [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no EMBL CAG46449 . 'MIA [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no GenBank AAF76220 . 'melanoma inhibitory activity protein [Mesocricetus auratus]' . . . . . 88.89 96 100.00 100.00 1.78e-49 . . . . 5220 1 . no GenBank AAH05910 . 'Melanoma inhibitory activity [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no GenBank AAP35693 . 'melanoma inhibitory activity [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no GenBank AAP36443 . 'Homo sapiens melanoma inhibitory activity [synthetic construct]' . . . . . 99.07 132 100.00 100.00 2.31e-57 . . . . 5220 1 . no GenBank AAX29533 . 'melanoma inhibitory activity [synthetic construct]' . . . . . 99.07 132 100.00 100.00 2.31e-57 . . . . 5220 1 . no REF NP_006524 . 'melanoma inhibitory activity [Homo sapiens]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no REF XP_001098600 . 'PREDICTED: melanoma inhibitory activity isoform 1 [Macaca mulatta]' . . . . . 99.07 131 99.07 100.00 1.30e-56 . . . . 5220 1 . no REF XP_001098701 . 'PREDICTED: melanoma inhibitory activity isoform 2 [Macaca mulatta]' . . . . . 99.07 131 99.07 100.00 1.30e-56 . . . . 5220 1 . no REF XP_001146858 . 'PREDICTED: melanoma inhibitory activity isoform 1 [Pan troglodytes]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no REF XP_001147008 . 'PREDICTED: melanoma inhibitory activity isoform 2 [Pan troglodytes]' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 . no SWISS-PROT Q16674 . 'Melanoma-derived growth regulatory protein precursor (Melanoma inhibitory activity)' . . . . . 99.07 131 100.00 100.00 2.26e-57 . . . . 5220 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MIA abbreviation 5220 1 'melanoma inhibitory activity protein' common 5220 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 . MET . 5220 1 2 . GLY . 5220 1 3 . PRO . 5220 1 4 . MET . 5220 1 5 . PRO . 5220 1 6 . LYS . 5220 1 7 . LEU . 5220 1 8 . ALA . 5220 1 9 . ASP . 5220 1 10 . ARG . 5220 1 11 . LYS . 5220 1 12 . LEU . 5220 1 13 . CYS . 5220 1 14 . ALA . 5220 1 15 . ASP . 5220 1 16 . GLN . 5220 1 17 . GLU . 5220 1 18 . CYS . 5220 1 19 . SER . 5220 1 20 . HIS . 5220 1 21 . PRO . 5220 1 22 . ILE . 5220 1 23 . SER . 5220 1 24 . MET . 5220 1 25 . ALA . 5220 1 26 . VAL . 5220 1 27 . ALA . 5220 1 28 . LEU . 5220 1 29 . GLN . 5220 1 30 . ASP . 5220 1 31 . TYR . 5220 1 32 . MET . 5220 1 33 . ALA . 5220 1 34 . PRO . 5220 1 35 . ASP . 5220 1 36 . CYS . 5220 1 37 . ARG . 5220 1 38 . PHE . 5220 1 39 . LEU . 5220 1 40 . THR . 5220 1 41 . ILE . 5220 1 42 . HIS . 5220 1 43 . ARG . 5220 1 44 . GLY . 5220 1 45 . GLN . 5220 1 46 . VAL . 5220 1 47 . VAL . 5220 1 48 . TYR . 5220 1 49 . VAL . 5220 1 50 . PHE . 5220 1 51 . SER . 5220 1 52 . LYS . 5220 1 53 . LEU . 5220 1 54 . LYS . 5220 1 55 . GLY . 5220 1 56 . ARG . 5220 1 57 . GLY . 5220 1 58 . ARG . 5220 1 59 . LEU . 5220 1 60 . PHE . 5220 1 61 . TRP . 5220 1 62 . GLY . 5220 1 63 . GLY . 5220 1 64 . SER . 5220 1 65 . VAL . 5220 1 66 . GLN . 5220 1 67 . GLY . 5220 1 68 . ASP . 5220 1 69 . TYR . 5220 1 70 . TYR . 5220 1 71 . GLY . 5220 1 72 . ASP . 5220 1 73 . LEU . 5220 1 74 . ALA . 5220 1 75 . ALA . 5220 1 76 . ARG . 5220 1 77 . LEU . 5220 1 78 . GLY . 5220 1 79 . TYR . 5220 1 80 . PHE . 5220 1 81 . PRO . 5220 1 82 . SER . 5220 1 83 . SER . 5220 1 84 . ILE . 5220 1 85 . VAL . 5220 1 86 . ARG . 5220 1 87 . GLU . 5220 1 88 . ASP . 5220 1 89 . GLN . 5220 1 90 . THR . 5220 1 91 . LEU . 5220 1 92 . LYS . 5220 1 93 . PRO . 5220 1 94 . GLY . 5220 1 95 . LYS . 5220 1 96 . VAL . 5220 1 97 . ASP . 5220 1 98 . VAL . 5220 1 99 . LYS . 5220 1 100 . THR . 5220 1 101 . ASP . 5220 1 102 . LYS . 5220 1 103 . TRP . 5220 1 104 . ASP . 5220 1 105 . PHE . 5220 1 106 . TYR . 5220 1 107 . CYS . 5220 1 108 . GLN . 5220 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 5220 1 . GLY 2 2 5220 1 . PRO 3 3 5220 1 . MET 4 4 5220 1 . PRO 5 5 5220 1 . LYS 6 6 5220 1 . LEU 7 7 5220 1 . ALA 8 8 5220 1 . ASP 9 9 5220 1 . ARG 10 10 5220 1 . LYS 11 11 5220 1 . LEU 12 12 5220 1 . CYS 13 13 5220 1 . ALA 14 14 5220 1 . ASP 15 15 5220 1 . GLN 16 16 5220 1 . GLU 17 17 5220 1 . CYS 18 18 5220 1 . SER 19 19 5220 1 . HIS 20 20 5220 1 . PRO 21 21 5220 1 . ILE 22 22 5220 1 . SER 23 23 5220 1 . MET 24 24 5220 1 . ALA 25 25 5220 1 . VAL 26 26 5220 1 . ALA 27 27 5220 1 . LEU 28 28 5220 1 . GLN 29 29 5220 1 . ASP 30 30 5220 1 . TYR 31 31 5220 1 . MET 32 32 5220 1 . ALA 33 33 5220 1 . PRO 34 34 5220 1 . ASP 35 35 5220 1 . CYS 36 36 5220 1 . ARG 37 37 5220 1 . PHE 38 38 5220 1 . LEU 39 39 5220 1 . THR 40 40 5220 1 . ILE 41 41 5220 1 . HIS 42 42 5220 1 . ARG 43 43 5220 1 . GLY 44 44 5220 1 . GLN 45 45 5220 1 . VAL 46 46 5220 1 . VAL 47 47 5220 1 . TYR 48 48 5220 1 . VAL 49 49 5220 1 . PHE 50 50 5220 1 . SER 51 51 5220 1 . LYS 52 52 5220 1 . LEU 53 53 5220 1 . LYS 54 54 5220 1 . GLY 55 55 5220 1 . ARG 56 56 5220 1 . GLY 57 57 5220 1 . ARG 58 58 5220 1 . LEU 59 59 5220 1 . PHE 60 60 5220 1 . TRP 61 61 5220 1 . GLY 62 62 5220 1 . GLY 63 63 5220 1 . SER 64 64 5220 1 . VAL 65 65 5220 1 . GLN 66 66 5220 1 . GLY 67 67 5220 1 . ASP 68 68 5220 1 . TYR 69 69 5220 1 . TYR 70 70 5220 1 . GLY 71 71 5220 1 . ASP 72 72 5220 1 . LEU 73 73 5220 1 . ALA 74 74 5220 1 . ALA 75 75 5220 1 . ARG 76 76 5220 1 . LEU 77 77 5220 1 . GLY 78 78 5220 1 . TYR 79 79 5220 1 . PHE 80 80 5220 1 . PRO 81 81 5220 1 . SER 82 82 5220 1 . SER 83 83 5220 1 . ILE 84 84 5220 1 . VAL 85 85 5220 1 . ARG 86 86 5220 1 . GLU 87 87 5220 1 . ASP 88 88 5220 1 . GLN 89 89 5220 1 . THR 90 90 5220 1 . LEU 91 91 5220 1 . LYS 92 92 5220 1 . PRO 93 93 5220 1 . GLY 94 94 5220 1 . LYS 95 95 5220 1 . VAL 96 96 5220 1 . ASP 97 97 5220 1 . VAL 98 98 5220 1 . LYS 99 99 5220 1 . THR 100 100 5220 1 . ASP 101 101 5220 1 . LYS 102 102 5220 1 . TRP 103 103 5220 1 . ASP 104 104 5220 1 . PHE 105 105 5220 1 . TYR 106 106 5220 1 . CYS 107 107 5220 1 . GLN 108 108 5220 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5220 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MIA . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5220 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 5220 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MIA . 'recombinant technology' . . . . . . . . . . . . . . . . 5220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5220 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'melanoma inhibitory activity protein' '[U-13C; U-15N]' . . 1 $MIA . . . 0.7 0.9 mM . . . . 5220 1 2 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 5220 1 3 azide . . . . . . . 0.02 . . % . . . . 5220 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5220 _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' 20 . mM 5220 1 pH 4.33 .03 n/a 5220 1 pressure 1 . atm 5220 1 temperature 298 0.5 K 5220 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5220 _Sample_condition_list.ID 2 _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' 20 . mM 5220 2 pH* 4.33 .03 n/a 5220 2 pressure 1 . atm 5220 2 temperature 298 0.5 K 5220 2 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5220 _Software.ID 1 _Software.Type . _Software.Name X-PLOR _Software.Version 3.851 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5220 1 'structure solution' 5220 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5220 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details 'M.NILGES, J. MOL. BIOL. 269, 408-422, 1997.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated assignment of NOEs' 5220 2 'structure calculation' 5220 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5220 _Software.ID 3 _Software.Type . _Software.Name ANSIG _Software.Version 3.3 _Software.DOI . _Software.Details 'P.J. Kraulis' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5220 3 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 5220 _Software.ID 4 _Software.Type . _Software.Name AZARA _Software.Version 2.0 _Software.DOI . _Software.Details 'W. Boucher' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5220 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5220 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5220 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 5220 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 5220 _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 CBCANNH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 2 '3D CBCA(CO)NNH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 3 '4D HCC(CO)NNH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 4 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 5 '2D CBHD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 6 '2D CBHE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 7 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 8 '4D 13C/15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 9 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 10 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 11 '3D 13C-separated NOESY(centered on aromatic carbons)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 12 '3D 1H-TOCSY-relayed ct-[13C, 1H]-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5220 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5220 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5220 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5220 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5220 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5220 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCANNH' 1 $sample_1 . 5220 1 2 '3D CBCA(CO)NNH' 1 $sample_1 . 5220 1 3 '4D HCC(CO)NNH' 1 $sample_1 . 5220 1 4 '3D HCCH-TOCSY' 1 $sample_1 . 5220 1 5 '2D CBHD' 1 $sample_1 . 5220 1 6 '2D CBHE' 1 $sample_1 . 5220 1 7 '13C HSQC' 1 $sample_1 . 5220 1 8 '4D 13C/15N-separated NOESY' 1 $sample_1 . 5220 1 9 '3D 13C-separated NOESY' 1 $sample_1 . 5220 1 10 '4D 13C-separated NOESY' 1 $sample_1 . 5220 1 11 '3D 13C-separated NOESY(centered on aromatic carbons)' 1 $sample_1 . 5220 1 12 '3D 1H-TOCSY-relayed ct-[13C, 1H]-HMQC' 1 $sample_1 . 5220 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.Ambiguity_set_ID _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 HA H 1 4.0767 0.005 . 1 . . . . . . . . . 5220 1 2 . 1 1 1 1 MET HB2 H 1 2.2073 0.007 . 1 . . . . . . . . . 5220 1 3 . 1 1 1 1 MET HB3 H 1 2.2073 0.007 . 1 . . . . . . . . . 5220 1 4 . 1 1 1 1 MET HE1 H 1 2.146 0.005 . 1 . . . . . . . . . 5220 1 5 . 1 1 1 1 MET HE2 H 1 2.146 0.005 . 1 . . . . . . . . . 5220 1 6 . 1 1 1 1 MET HE3 H 1 2.146 0.005 . 1 . . . . . . . . . 5220 1 7 . 1 1 1 1 MET HG2 H 1 2.6707 0.006 . 2 . . . . . . . . . 5220 1 8 . 1 1 1 1 MET HG3 H 1 2.612 0.006 . 2 . . . . . . . . . 5220 1 9 . 1 1 1 1 MET CA C 13 55.1 0.05 . 1 . . . . . . . . . 5220 1 10 . 1 1 1 1 MET CB C 13 33.01 0.05 . 1 . . . . . . . . . 5220 1 11 . 1 1 1 1 MET CE C 13 17.081 0.05 . 1 . . . . . . . . . 5220 1 12 . 1 1 1 1 MET CG C 13 30.9127 0.05 . 1 . . . . . . . . . 5220 1 13 . 1 1 2 2 GLY HA2 H 1 4.3805 0.005 . 2 . . . . . . . . . 5220 1 14 . 1 1 2 2 GLY HA3 H 1 3.5275 0.005 . 2 . . . . . . . . . 5220 1 15 . 1 1 2 2 GLY H H 1 8.708 0.005 . 1 . . . . . . . . . 5220 1 16 . 1 1 2 2 GLY CA C 13 44.2195 0.05 . 1 . . . . . . . . . 5220 1 17 . 1 1 2 2 GLY N N 15 111.904 0.05 . 1 . . . . . . . . . 5220 1 18 . 1 1 3 3 PRO HA H 1 4.1077 0.005 . 1 . . . . . . . . . 5220 1 19 . 1 1 3 3 PRO HB2 H 1 2.1073 0.019 . 2 . . . . . . . . . 5220 1 20 . 1 1 3 3 PRO HB3 H 1 1.8598 0.011 . 2 . . . . . . . . . 5220 1 21 . 1 1 3 3 PRO HD2 H 1 3.5906 0.005 . 2 . . . . . . . . . 5220 1 22 . 1 1 3 3 PRO HD3 H 1 3.4534 0.012 . 2 . . . . . . . . . 5220 1 23 . 1 1 3 3 PRO HG2 H 1 2.0364 0.005 . 2 . . . . . . . . . 5220 1 24 . 1 1 3 3 PRO HG3 H 1 1.9167 0.009 . 2 . . . . . . . . . 5220 1 25 . 1 1 3 3 PRO CA C 13 63.1722 0.05 . 1 . . . . . . . . . 5220 1 26 . 1 1 3 3 PRO CB C 13 32.5185 0.104 . 1 . . . . . . . . . 5220 1 27 . 1 1 3 3 PRO CD C 13 49.9333 0.096 . 1 . . . . . . . . . 5220 1 28 . 1 1 3 3 PRO CG C 13 27.057 0.05 . 1 . . . . . . . . . 5220 1 29 . 1 1 4 4 MET HA H 1 5.0515 0.013 . 1 . . . . . . . . . 5220 1 30 . 1 1 4 4 MET HB2 H 1 1.946 0.012 . 2 . . . . . . . . . 5220 1 31 . 1 1 4 4 MET HB3 H 1 1.7667 0.007 . 2 . . . . . . . . . 5220 1 32 . 1 1 4 4 MET HE1 H 1 2.121 0.005 . 1 . . . . . . . . . 5220 1 33 . 1 1 4 4 MET HE2 H 1 2.121 0.005 . 1 . . . . . . . . . 5220 1 34 . 1 1 4 4 MET HE3 H 1 2.121 0.005 . 1 . . . . . . . . . 5220 1 35 . 1 1 4 4 MET HG2 H 1 2.7185 0.005 . 2 . . . . . . . . . 5220 1 36 . 1 1 4 4 MET HG3 H 1 2.5253 0.005 . 2 . . . . . . . . . 5220 1 37 . 1 1 4 4 MET H H 1 7.933 0.005 . 1 . . . . . . . . . 5220 1 38 . 1 1 4 4 MET CA C 13 51.991 0.05 . 1 . . . . . . . . . 5220 1 39 . 1 1 4 4 MET CB C 13 33.184 0.062 . 1 . . . . . . . . . 5220 1 40 . 1 1 4 4 MET CE C 13 17.427 0.05 . 1 . . . . . . . . . 5220 1 41 . 1 1 4 4 MET CG C 13 34.1725 0.065 . 1 . . . . . . . . . 5220 1 42 . 1 1 4 4 MET N N 15 121.548 0.05 . 1 . . . . . . . . . 5220 1 43 . 1 1 5 5 PRO HA H 1 4.2281 0.01 . 1 . . . . . . . . . 5220 1 44 . 1 1 5 5 PRO HB2 H 1 2.2191 0.018 . 2 . . . . . . . . . 5220 1 45 . 1 1 5 5 PRO HB3 H 1 1.5142 0.013 . 2 . . . . . . . . . 5220 1 46 . 1 1 5 5 PRO HD2 H 1 3.8685 0.007 . 2 . . . . . . . . . 5220 1 47 . 1 1 5 5 PRO HD3 H 1 3.2789 0.009 . 2 . . . . . . . . . 5220 1 48 . 1 1 5 5 PRO HG2 H 1 1.9787 0.011 . 2 . . . . . . . . . 5220 1 49 . 1 1 5 5 PRO HG3 H 1 1.877 0.014 . 2 . . . . . . . . . 5220 1 50 . 1 1 5 5 PRO CA C 13 62.6815 0.092 . 1 . . . . . . . . . 5220 1 51 . 1 1 5 5 PRO CB C 13 31.8904 0.148 . 1 . . . . . . . . . 5220 1 52 . 1 1 5 5 PRO CD C 13 50.5941 0.07 . 1 . . . . . . . . . 5220 1 53 . 1 1 5 5 PRO CG C 13 27.9135 0.05 . 1 . . . . . . . . . 5220 1 54 . 1 1 6 6 LYS HA H 1 2.9163 0.012 . 1 . . . . . . . . . 5220 1 55 . 1 1 6 6 LYS HB2 H 1 1.384 0.027 . 2 . . . . . . . . . 5220 1 56 . 1 1 6 6 LYS HB3 H 1 1.2402 0.005 . 2 . . . . . . . . . 5220 1 57 . 1 1 6 6 LYS HD2 H 1 1.6402 0.005 . 2 . . . . . . . . . 5220 1 58 . 1 1 6 6 LYS HD3 H 1 1.592 0.005 . 2 . . . . . . . . . 5220 1 59 . 1 1 6 6 LYS HE2 H 1 2.8887 0.007 . 2 . . . . . . . . . 5220 1 60 . 1 1 6 6 LYS HE3 H 1 2.804 0.01 . 2 . . . . . . . . . 5220 1 61 . 1 1 6 6 LYS HG2 H 1 1.5974 0.005 . 2 . . . . . . . . . 5220 1 62 . 1 1 6 6 LYS HG3 H 1 1.345 0.005 . 2 . . . . . . . . . 5220 1 63 . 1 1 6 6 LYS H H 1 8.277 0.005 . 1 . . . . . . . . . 5220 1 64 . 1 1 6 6 LYS CA C 13 56.397 0.061 . 1 . . . . . . . . . 5220 1 65 . 1 1 6 6 LYS CB C 13 32.4276 0.182 . 1 . . . . . . . . . 5220 1 66 . 1 1 6 6 LYS CD C 13 29.6318 0.05 . 1 . . . . . . . . . 5220 1 67 . 1 1 6 6 LYS CE C 13 41.708 0.05 . 1 . . . . . . . . . 5220 1 68 . 1 1 6 6 LYS CG C 13 24.602 0.05 . 1 . . . . . . . . . 5220 1 69 . 1 1 6 6 LYS N N 15 118.89 0.05 . 1 . . . . . . . . . 5220 1 70 . 1 1 7 7 LEU HA H 1 3.8621 0.009 . 1 . . . . . . . . . 5220 1 71 . 1 1 7 7 LEU HB2 H 1 1.0636 0.01 . 2 . . . . . . . . . 5220 1 72 . 1 1 7 7 LEU HB3 H 1 0.8988 0.006 . 2 . . . . . . . . . 5220 1 73 . 1 1 7 7 LEU HD11 H 1 0.5299 0.005 . 2 . . . . . . . . . 5220 1 74 . 1 1 7 7 LEU HD12 H 1 0.5299 0.005 . 2 . . . . . . . . . 5220 1 75 . 1 1 7 7 LEU HD13 H 1 0.5299 0.005 . 2 . . . . . . . . . 5220 1 76 . 1 1 7 7 LEU HD21 H 1 -0.0656 0.005 . 2 . . . . . . . . . 5220 1 77 . 1 1 7 7 LEU HD22 H 1 -0.0656 0.005 . 2 . . . . . . . . . 5220 1 78 . 1 1 7 7 LEU HD23 H 1 -0.0656 0.005 . 2 . . . . . . . . . 5220 1 79 . 1 1 7 7 LEU HG H 1 0.87 0.006 . 1 . . . . . . . . . 5220 1 80 . 1 1 7 7 LEU H H 1 3.985 0.005 . 1 . . . . . . . . . 5220 1 81 . 1 1 7 7 LEU CA C 13 54.851 0.102 . 1 . . . . . . . . . 5220 1 82 . 1 1 7 7 LEU CB C 13 43.0856 0.104 . 1 . . . . . . . . . 5220 1 83 . 1 1 7 7 LEU CD1 C 13 22.4494 0.05 . 1 . . . . . . . . . 5220 1 84 . 1 1 7 7 LEU CD2 C 13 24.47 0.05 . 1 . . . . . . . . . 5220 1 85 . 1 1 7 7 LEU CG C 13 26.431 0.05 . 1 . . . . . . . . . 5220 1 86 . 1 1 7 7 LEU N N 15 117.521 0.05 . 1 . . . . . . . . . 5220 1 87 . 1 1 8 8 ALA HA H 1 4.289 0.005 . 1 . . . . . . . . . 5220 1 88 . 1 1 8 8 ALA HB1 H 1 1.7175 0.005 . 1 . . . . . . . . . 5220 1 89 . 1 1 8 8 ALA HB2 H 1 1.7175 0.005 . 1 . . . . . . . . . 5220 1 90 . 1 1 8 8 ALA HB3 H 1 1.7175 0.005 . 1 . . . . . . . . . 5220 1 91 . 1 1 8 8 ALA H H 1 6.571 0.005 . 1 . . . . . . . . . 5220 1 92 . 1 1 8 8 ALA CA C 13 51.227 0.05 . 1 . . . . . . . . . 5220 1 93 . 1 1 8 8 ALA CB C 13 25.594 0.05 . 1 . . . . . . . . . 5220 1 94 . 1 1 8 8 ALA N N 15 112.435 0.05 . 1 . . . . . . . . . 5220 1 95 . 1 1 9 9 ASP HA H 1 4.7135 0.005 . 1 . . . . . . . . . 5220 1 96 . 1 1 9 9 ASP HB2 H 1 2.9007 0.011 . 2 . . . . . . . . . 5220 1 97 . 1 1 9 9 ASP HB3 H 1 2.558 0.008 . 2 . . . . . . . . . 5220 1 98 . 1 1 9 9 ASP H H 1 9.275 0.005 . 1 . . . . . . . . . 5220 1 99 . 1 1 9 9 ASP CA C 13 55.862 0.05 . 1 . . . . . . . . . 5220 1 100 . 1 1 9 9 ASP CB C 13 42.99 0.13 . 1 . . . . . . . . . 5220 1 101 . 1 1 9 9 ASP N N 15 120.141 0.05 . 1 . . . . . . . . . 5220 1 102 . 1 1 10 10 ARG HA H 1 5.2081 0.011 . 1 . . . . . . . . . 5220 1 103 . 1 1 10 10 ARG HB2 H 1 1.998 0.009 . 1 . . . . . . . . . 5220 1 104 . 1 1 10 10 ARG HB3 H 1 1.5848 0.005 . 1 . . . . . . . . . 5220 1 105 . 1 1 10 10 ARG HD2 H 1 3.3033 0.007 . 2 . . . . . . . . . 5220 1 106 . 1 1 10 10 ARG HD3 H 1 3.1109 0.011 . 2 . . . . . . . . . 5220 1 107 . 1 1 10 10 ARG HG2 H 1 1.6529 0.011 . 2 . . . . . . . . . 5220 1 108 . 1 1 10 10 ARG HG3 H 1 1.5571 0.016 . 2 . . . . . . . . . 5220 1 109 . 1 1 10 10 ARG H H 1 7.819 0.005 . 1 . . . . . . . . . 5220 1 110 . 1 1 10 10 ARG HE H 1 8.287 0.005 . 1 . . . . . . . . . 5220 1 111 . 1 1 10 10 ARG CA C 13 54.8408 0.05 . 1 . . . . . . . . . 5220 1 112 . 1 1 10 10 ARG CB C 13 35.6403 0.051 . 1 . . . . . . . . . 5220 1 113 . 1 1 10 10 ARG CD C 13 42.75 0.05 . 1 . . . . . . . . . 5220 1 114 . 1 1 10 10 ARG CG C 13 28.1462 0.067 . 1 . . . . . . . . . 5220 1 115 . 1 1 10 10 ARG N N 15 119.051 0.05 . 1 . . . . . . . . . 5220 1 116 . 1 1 10 10 ARG NE N 15 85.282 0.05 . 1 . . . . . . . . . 5220 1 117 . 1 1 11 11 LYS HA H 1 4.9037 0.005 . 1 . . . . . . . . . 5220 1 118 . 1 1 11 11 LYS HB2 H 1 1.534 0.028 . 1 . . . . . . . . . 5220 1 119 . 1 1 11 11 LYS HB3 H 1 1.534 0.028 . 1 . . . . . . . . . 5220 1 120 . 1 1 11 11 LYS HG2 H 1 1.304 0.005 . 2 . . . . . . . . . 5220 1 121 . 1 1 11 11 LYS HG3 H 1 1.186 0.005 . 2 . . . . . . . . . 5220 1 122 . 1 1 11 11 LYS H H 1 9.368 0.005 . 1 . . . . . . . . . 5220 1 123 . 1 1 11 11 LYS CA C 13 54.227 0.059 . 1 . . . . . . . . . 5220 1 124 . 1 1 11 11 LYS CB C 13 37.22 0.137 . 1 . . . . . . . . . 5220 1 125 . 1 1 11 11 LYS CG C 13 23.879 0.05 . 1 . . . . . . . . . 5220 1 126 . 1 1 11 11 LYS N N 15 117.579 0.05 . 1 . . . . . . . . . 5220 1 127 . 1 1 12 12 LEU HA H 1 5.2662 0.012 . 1 . . . . . . . . . 5220 1 128 . 1 1 12 12 LEU HB2 H 1 1.3631 0.012 . 1 . . . . . . . . . 5220 1 129 . 1 1 12 12 LEU HB3 H 1 1.5123 0.006 . 1 . . . . . . . . . 5220 1 130 . 1 1 12 12 LEU HD11 H 1 0.7996 0.006 . 2 . . . . . . . . . 5220 1 131 . 1 1 12 12 LEU HD12 H 1 0.7996 0.006 . 2 . . . . . . . . . 5220 1 132 . 1 1 12 12 LEU HD13 H 1 0.7996 0.006 . 2 . . . . . . . . . 5220 1 133 . 1 1 12 12 LEU HD21 H 1 0.7226 0.005 . 2 . . . . . . . . . 5220 1 134 . 1 1 12 12 LEU HD22 H 1 0.7226 0.005 . 2 . . . . . . . . . 5220 1 135 . 1 1 12 12 LEU HD23 H 1 0.7226 0.005 . 2 . . . . . . . . . 5220 1 136 . 1 1 12 12 LEU HG H 1 1.3237 0.005 . 1 . . . . . . . . . 5220 1 137 . 1 1 12 12 LEU H H 1 8.887 0.005 . 1 . . . . . . . . . 5220 1 138 . 1 1 12 12 LEU CA C 13 53.0254 0.081 . 1 . . . . . . . . . 5220 1 139 . 1 1 12 12 LEU CB C 13 43.8964 0.083 . 1 . . . . . . . . . 5220 1 140 . 1 1 12 12 LEU CD1 C 13 24.8782 0.05 . 1 . . . . . . . . . 5220 1 141 . 1 1 12 12 LEU CD2 C 13 23.7213 0.097 . 1 . . . . . . . . . 5220 1 142 . 1 1 12 12 LEU CG C 13 26.973 0.05 . 1 . . . . . . . . . 5220 1 143 . 1 1 12 12 LEU N N 15 120.259 0.05 . 1 . . . . . . . . . 5220 1 144 . 1 1 13 13 CYS HA H 1 5.0915 0.005 . 1 . . . . . . . . . 5220 1 145 . 1 1 13 13 CYS HB2 H 1 4.099 0.006 . 1 . . . . . . . . . 5220 1 146 . 1 1 13 13 CYS HB3 H 1 3.368 0.008 . 1 . . . . . . . . . 5220 1 147 . 1 1 13 13 CYS H H 1 9.174 0.005 . 1 . . . . . . . . . 5220 1 148 . 1 1 13 13 CYS CA C 13 53.323 0.05 . 1 . . . . . . . . . 5220 1 149 . 1 1 13 13 CYS CB C 13 50.3 0.088 . 1 . . . . . . . . . 5220 1 150 . 1 1 13 13 CYS N N 15 118.223 0.05 . 1 . . . . . . . . . 5220 1 151 . 1 1 14 14 ALA HA H 1 4.5205 0.005 . 1 . . . . . . . . . 5220 1 152 . 1 1 14 14 ALA HB1 H 1 1.252 0.005 . 1 . . . . . . . . . 5220 1 153 . 1 1 14 14 ALA HB2 H 1 1.252 0.005 . 1 . . . . . . . . . 5220 1 154 . 1 1 14 14 ALA HB3 H 1 1.252 0.005 . 1 . . . . . . . . . 5220 1 155 . 1 1 14 14 ALA H H 1 10.342 0.005 . 1 . . . . . . . . . 5220 1 156 . 1 1 14 14 ALA CA C 13 53.547 0.143 . 1 . . . . . . . . . 5220 1 157 . 1 1 14 14 ALA CB C 13 19.587 0.05 . 1 . . . . . . . . . 5220 1 158 . 1 1 14 14 ALA N N 15 123.217 0.05 . 1 . . . . . . . . . 5220 1 159 . 1 1 15 15 ASP HA H 1 4.671 0.01 . 1 . . . . . . . . . 5220 1 160 . 1 1 15 15 ASP HB2 H 1 2.954 0.008 . 2 . . . . . . . . . 5220 1 161 . 1 1 15 15 ASP HB3 H 1 2.7817 0.01 . 2 . . . . . . . . . 5220 1 162 . 1 1 15 15 ASP H H 1 7.601 0.005 . 1 . . . . . . . . . 5220 1 163 . 1 1 15 15 ASP CA C 13 52.245 0.05 . 1 . . . . . . . . . 5220 1 164 . 1 1 15 15 ASP CB C 13 42.992 0.052 . 1 . . . . . . . . . 5220 1 165 . 1 1 15 15 ASP N N 15 111.189 0.05 . 1 . . . . . . . . . 5220 1 166 . 1 1 16 16 GLN HA H 1 3.9177 0.005 . 1 . . . . . . . . . 5220 1 167 . 1 1 16 16 GLN HB2 H 1 2.17 0.005 . 2 . . . . . . . . . 5220 1 168 . 1 1 16 16 GLN HB3 H 1 2.1135 0.007 . 2 . . . . . . . . . 5220 1 169 . 1 1 16 16 GLN HG2 H 1 2.4658 0.005 . 1 . . . . . . . . . 5220 1 170 . 1 1 16 16 GLN HG3 H 1 2.4658 0.005 . 1 . . . . . . . . . 5220 1 171 . 1 1 16 16 GLN H H 1 8.999 0.005 . 1 . . . . . . . . . 5220 1 172 . 1 1 16 16 GLN HE21 H 1 7.547 0.005 . 2 . . . . . . . . . 5220 1 173 . 1 1 16 16 GLN HE22 H 1 6.897 0.005 . 2 . . . . . . . . . 5220 1 174 . 1 1 16 16 GLN CA C 13 58.97 0.05 . 1 . . . . . . . . . 5220 1 175 . 1 1 16 16 GLN CB C 13 28.6258 0.147 . 1 . . . . . . . . . 5220 1 176 . 1 1 16 16 GLN CG C 13 33.8 0.101 . 1 . . . . . . . . . 5220 1 177 . 1 1 16 16 GLN N N 15 118.165 0.05 . 1 . . . . . . . . . 5220 1 178 . 1 1 16 16 GLN NE2 N 15 111.981 0.05 . 1 . . . . . . . . . 5220 1 179 . 1 1 17 17 GLU HA H 1 4.3822 0.005 . 1 . . . . . . . . . 5220 1 180 . 1 1 17 17 GLU HB2 H 1 2.2317 0.01 . 1 . . . . . . . . . 5220 1 181 . 1 1 17 17 GLU HB3 H 1 1.8375 0.009 . 1 . . . . . . . . . 5220 1 182 . 1 1 17 17 GLU HG2 H 1 2.3775 0.007 . 2 . . . . . . . . . 5220 1 183 . 1 1 17 17 GLU HG3 H 1 2.3156 0.007 . 2 . . . . . . . . . 5220 1 184 . 1 1 17 17 GLU H H 1 7.834 0.005 . 1 . . . . . . . . . 5220 1 185 . 1 1 17 17 GLU CA C 13 55.57 0.05 . 1 . . . . . . . . . 5220 1 186 . 1 1 17 17 GLU CB C 13 28.7961 0.05 . 1 . . . . . . . . . 5220 1 187 . 1 1 17 17 GLU CG C 13 35.3188 0.05 . 1 . . . . . . . . . 5220 1 188 . 1 1 17 17 GLU N N 15 113.762 0.05 . 1 . . . . . . . . . 5220 1 189 . 1 1 18 18 CYS HA H 1 4.729 0.005 . 1 . . . . . . . . . 5220 1 190 . 1 1 18 18 CYS HB2 H 1 3.672 0.005 . 2 . . . . . . . . . 5220 1 191 . 1 1 18 18 CYS HB3 H 1 3.221 0.005 . 2 . . . . . . . . . 5220 1 192 . 1 1 18 18 CYS H H 1 8.436 0.005 . 1 . . . . . . . . . 5220 1 193 . 1 1 18 18 CYS CA C 13 58.602 0.05 . 1 . . . . . . . . . 5220 1 194 . 1 1 18 18 CYS CB C 13 46.1555 0.05 . 1 . . . . . . . . . 5220 1 195 . 1 1 18 18 CYS N N 15 120.024 0.05 . 1 . . . . . . . . . 5220 1 196 . 1 1 19 19 SER HA H 1 4.3703 0.008 . 1 . . . . . . . . . 5220 1 197 . 1 1 19 19 SER HB2 H 1 3.537 0.005 . 1 . . . . . . . . . 5220 1 198 . 1 1 19 19 SER HB3 H 1 3.793 0.018 . 1 . . . . . . . . . 5220 1 199 . 1 1 19 19 SER H H 1 9.82 0.005 . 1 . . . . . . . . . 5220 1 200 . 1 1 19 19 SER CA C 13 59.3945 0.05 . 1 . . . . . . . . . 5220 1 201 . 1 1 19 19 SER CB C 13 65.4595 0.158 . 1 . . . . . . . . . 5220 1 202 . 1 1 19 19 SER N N 15 112.698 0.05 . 1 . . . . . . . . . 5220 1 203 . 1 1 20 20 HIS HA H 1 4.9865 0.012 . 1 . . . . . . . . . 5220 1 204 . 1 1 20 20 HIS HB2 H 1 3.311 0.005 . 1 . . . . . . . . . 5220 1 205 . 1 1 20 20 HIS HB3 H 1 2.738 0.008 . 1 . . . . . . . . . 5220 1 206 . 1 1 20 20 HIS HD2 H 1 7.308 0.005 . 1 . . . . . . . . . 5220 1 207 . 1 1 20 20 HIS HE1 H 1 8.445 0.005 . 1 . . . . . . . . . 5220 1 208 . 1 1 20 20 HIS H H 1 8.166 0.005 . 1 . . . . . . . . . 5220 1 209 . 1 1 20 20 HIS CA C 13 52.7965 0.059 . 1 . . . . . . . . . 5220 1 210 . 1 1 20 20 HIS CB C 13 29.57 0.05 . 1 . . . . . . . . . 5220 1 211 . 1 1 20 20 HIS CD2 C 13 120.335 0.05 . 1 . . . . . . . . . 5220 1 212 . 1 1 20 20 HIS CE1 C 13 136.396 0.05 . 1 . . . . . . . . . 5220 1 213 . 1 1 20 20 HIS N N 15 120.361 0.05 . 1 . . . . . . . . . 5220 1 214 . 1 1 21 21 PRO HA H 1 3.5212 0.01 . 1 . . . . . . . . . 5220 1 215 . 1 1 21 21 PRO HB2 H 1 1.5007 0.012 . 2 . . . . . . . . . 5220 1 216 . 1 1 21 21 PRO HB3 H 1 1.006 0.008 . 2 . . . . . . . . . 5220 1 217 . 1 1 21 21 PRO HD2 H 1 3.548 0.005 . 2 . . . . . . . . . 5220 1 218 . 1 1 21 21 PRO HD3 H 1 3.393 0.005 . 2 . . . . . . . . . 5220 1 219 . 1 1 21 21 PRO HG2 H 1 1.7333 0.009 . 2 . . . . . . . . . 5220 1 220 . 1 1 21 21 PRO HG3 H 1 1.4 0.006 . 2 . . . . . . . . . 5220 1 221 . 1 1 21 21 PRO CA C 13 63.0436 0.05 . 1 . . . . . . . . . 5220 1 222 . 1 1 21 21 PRO CB C 13 30.8169 0.072 . 1 . . . . . . . . . 5220 1 223 . 1 1 21 21 PRO CD C 13 50.0885 0.05 . 1 . . . . . . . . . 5220 1 224 . 1 1 21 21 PRO CG C 13 26.7337 0.058 . 1 . . . . . . . . . 5220 1 225 . 1 1 22 22 ILE HA H 1 4.3436 0.014 . 1 . . . . . . . . . 5220 1 226 . 1 1 22 22 ILE HB H 1 1.2736 0.007 . 1 . . . . . . . . . 5220 1 227 . 1 1 22 22 ILE HD11 H 1 0.5187 0.006 . 1 . . . . . . . . . 5220 1 228 . 1 1 22 22 ILE HD12 H 1 0.5187 0.006 . 1 . . . . . . . . . 5220 1 229 . 1 1 22 22 ILE HD13 H 1 0.5187 0.006 . 1 . . . . . . . . . 5220 1 230 . 1 1 22 22 ILE HG12 H 1 1.7701 0.015 . 2 . . . . . . . . . 5220 1 231 . 1 1 22 22 ILE HG13 H 1 0.5961 0.018 . 2 . . . . . . . . . 5220 1 232 . 1 1 22 22 ILE HG21 H 1 0.7852 0.009 . 1 . . . . . . . . . 5220 1 233 . 1 1 22 22 ILE HG22 H 1 0.7852 0.009 . 1 . . . . . . . . . 5220 1 234 . 1 1 22 22 ILE HG23 H 1 0.7852 0.009 . 1 . . . . . . . . . 5220 1 235 . 1 1 22 22 ILE H H 1 9.128 0.005 . 1 . . . . . . . . . 5220 1 236 . 1 1 22 22 ILE CA C 13 62.0703 0.18 . 1 . . . . . . . . . 5220 1 237 . 1 1 22 22 ILE CB C 13 41.1935 0.066 . 1 . . . . . . . . . 5220 1 238 . 1 1 22 22 ILE CD1 C 13 14.4748 0.05 . 1 . . . . . . . . . 5220 1 239 . 1 1 22 22 ILE CG1 C 13 28.6292 0.08 . 1 . . . . . . . . . 5220 1 240 . 1 1 22 22 ILE CG2 C 13 16.1672 0.05 . 1 . . . . . . . . . 5220 1 241 . 1 1 22 22 ILE N N 15 120.55 0.05 . 1 . . . . . . . . . 5220 1 242 . 1 1 23 23 SER HA H 1 4.932 0.005 . 1 . . . . . . . . . 5220 1 243 . 1 1 23 23 SER HB2 H 1 3.8285 0.005 . 1 . . . . . . . . . 5220 1 244 . 1 1 23 23 SER HB3 H 1 3.8285 0.005 . 1 . . . . . . . . . 5220 1 245 . 1 1 23 23 SER H H 1 7.62 0.005 . 1 . . . . . . . . . 5220 1 246 . 1 1 23 23 SER CA C 13 56.23 0.071 . 1 . . . . . . . . . 5220 1 247 . 1 1 23 23 SER CB C 13 65.463 0.077 . 1 . . . . . . . . . 5220 1 248 . 1 1 23 23 SER N N 15 108.882 0.05 . 1 . . . . . . . . . 5220 1 249 . 1 1 24 24 MET HA H 1 4.9145 0.005 . 1 . . . . . . . . . 5220 1 250 . 1 1 24 24 MET HB2 H 1 1.7969 0.005 . 2 . . . . . . . . . 5220 1 251 . 1 1 24 24 MET HB3 H 1 1.9409 0.016 . 2 . . . . . . . . . 5220 1 252 . 1 1 24 24 MET HE1 H 1 1.843 0.005 . 1 . . . . . . . . . 5220 1 253 . 1 1 24 24 MET HE2 H 1 1.843 0.005 . 1 . . . . . . . . . 5220 1 254 . 1 1 24 24 MET HE3 H 1 1.843 0.005 . 1 . . . . . . . . . 5220 1 255 . 1 1 24 24 MET HG2 H 1 2.197 0.005 . 2 . . . . . . . . . 5220 1 256 . 1 1 24 24 MET HG3 H 1 2.0383 0.005 . 2 . . . . . . . . . 5220 1 257 . 1 1 24 24 MET H H 1 8.561 0.005 . 1 . . . . . . . . . 5220 1 258 . 1 1 24 24 MET CA C 13 54.4455 0.121 . 1 . . . . . . . . . 5220 1 259 . 1 1 24 24 MET CB C 13 35.6091 0.13 . 1 . . . . . . . . . 5220 1 260 . 1 1 24 24 MET CE C 13 16.744 0.05 . 1 . . . . . . . . . 5220 1 261 . 1 1 24 24 MET CG C 13 31.8753 0.05 . 1 . . . . . . . . . 5220 1 262 . 1 1 24 24 MET N N 15 117.024 0.05 . 1 . . . . . . . . . 5220 1 263 . 1 1 25 25 ALA HA H 1 5.2885 0.005 . 1 . . . . . . . . . 5220 1 264 . 1 1 25 25 ALA HB1 H 1 1.19 0.005 . 1 . . . . . . . . . 5220 1 265 . 1 1 25 25 ALA HB2 H 1 1.19 0.005 . 1 . . . . . . . . . 5220 1 266 . 1 1 25 25 ALA HB3 H 1 1.19 0.005 . 1 . . . . . . . . . 5220 1 267 . 1 1 25 25 ALA H H 1 9.433 0.005 . 1 . . . . . . . . . 5220 1 268 . 1 1 25 25 ALA CA C 13 49.957 0.05 . 1 . . . . . . . . . 5220 1 269 . 1 1 25 25 ALA CB C 13 23.425 0.055 . 1 . . . . . . . . . 5220 1 270 . 1 1 25 25 ALA N N 15 127.604 0.05 . 1 . . . . . . . . . 5220 1 271 . 1 1 26 26 VAL HA H 1 4.8356 0.013 . 1 . . . . . . . . . 5220 1 272 . 1 1 26 26 VAL HB H 1 1.7967 0.006 . 1 . . . . . . . . . 5220 1 273 . 1 1 26 26 VAL HG11 H 1 0.868 0.005 . 2 . . . . . . . . . 5220 1 274 . 1 1 26 26 VAL HG12 H 1 0.868 0.005 . 2 . . . . . . . . . 5220 1 275 . 1 1 26 26 VAL HG13 H 1 0.868 0.005 . 2 . . . . . . . . . 5220 1 276 . 1 1 26 26 VAL HG21 H 1 0.842 0.005 . 2 . . . . . . . . . 5220 1 277 . 1 1 26 26 VAL HG22 H 1 0.842 0.005 . 2 . . . . . . . . . 5220 1 278 . 1 1 26 26 VAL HG23 H 1 0.842 0.005 . 2 . . . . . . . . . 5220 1 279 . 1 1 26 26 VAL H H 1 8.404 0.005 . 1 . . . . . . . . . 5220 1 280 . 1 1 26 26 VAL CA C 13 60.0093 0.063 . 1 . . . . . . . . . 5220 1 281 . 1 1 26 26 VAL CB C 13 34.967 0.05 . 1 . . . . . . . . . 5220 1 282 . 1 1 26 26 VAL CG1 C 13 21.692 0.05 . 1 . . . . . . . . . 5220 1 283 . 1 1 26 26 VAL CG2 C 13 20.485 0.05 . 1 . . . . . . . . . 5220 1 284 . 1 1 26 26 VAL N N 15 118.605 0.05 . 1 . . . . . . . . . 5220 1 285 . 1 1 27 27 ALA HA H 1 4.561 0.006 . 1 . . . . . . . . . 5220 1 286 . 1 1 27 27 ALA HB1 H 1 1.3955 0.005 . 1 . . . . . . . . . 5220 1 287 . 1 1 27 27 ALA HB2 H 1 1.3955 0.005 . 1 . . . . . . . . . 5220 1 288 . 1 1 27 27 ALA HB3 H 1 1.3955 0.005 . 1 . . . . . . . . . 5220 1 289 . 1 1 27 27 ALA H H 1 8.81 0.005 . 1 . . . . . . . . . 5220 1 290 . 1 1 27 27 ALA CA C 13 52.648 0.05 . 1 . . . . . . . . . 5220 1 291 . 1 1 27 27 ALA CB C 13 19.593 0.05 . 1 . . . . . . . . . 5220 1 292 . 1 1 27 27 ALA N N 15 127.297 0.05 . 1 . . . . . . . . . 5220 1 293 . 1 1 28 28 LEU HA H 1 4.2766 0.005 . 1 . . . . . . . . . 5220 1 294 . 1 1 28 28 LEU HB2 H 1 1.6178 0.005 . 1 . . . . . . . . . 5220 1 295 . 1 1 28 28 LEU HB3 H 1 1.6178 0.005 . 1 . . . . . . . . . 5220 1 296 . 1 1 28 28 LEU HD11 H 1 0.794 0.005 . 2 . . . . . . . . . 5220 1 297 . 1 1 28 28 LEU HD12 H 1 0.794 0.005 . 2 . . . . . . . . . 5220 1 298 . 1 1 28 28 LEU HD13 H 1 0.794 0.005 . 2 . . . . . . . . . 5220 1 299 . 1 1 28 28 LEU HD21 H 1 0.7807 0.009 . 2 . . . . . . . . . 5220 1 300 . 1 1 28 28 LEU HD22 H 1 0.7807 0.009 . 2 . . . . . . . . . 5220 1 301 . 1 1 28 28 LEU HD23 H 1 0.7807 0.009 . 2 . . . . . . . . . 5220 1 302 . 1 1 28 28 LEU HG H 1 1.572 0.005 . 1 . . . . . . . . . 5220 1 303 . 1 1 28 28 LEU H H 1 9.749 0.005 . 1 . . . . . . . . . 5220 1 304 . 1 1 28 28 LEU CA C 13 55.186 0.05 . 1 . . . . . . . . . 5220 1 305 . 1 1 28 28 LEU CB C 13 43.2483 0.079 . 1 . . . . . . . . . 5220 1 306 . 1 1 28 28 LEU CD1 C 13 22.0767 0.05 . 1 . . . . . . . . . 5220 1 307 . 1 1 28 28 LEU CD2 C 13 25.417 0.05 . 1 . . . . . . . . . 5220 1 308 . 1 1 28 28 LEU CG C 13 26.8757 0.05 . 1 . . . . . . . . . 5220 1 309 . 1 1 28 28 LEU N N 15 125.932 0.05 . 1 . . . . . . . . . 5220 1 310 . 1 1 29 29 GLN HA H 1 4.546 0.005 . 1 . . . . . . . . . 5220 1 311 . 1 1 29 29 GLN HB2 H 1 2.2345 0.005 . 2 . . . . . . . . . 5220 1 312 . 1 1 29 29 GLN HB3 H 1 1.8782 0.007 . 2 . . . . . . . . . 5220 1 313 . 1 1 29 29 GLN H H 1 7.416 0.005 . 1 . . . . . . . . . 5220 1 314 . 1 1 29 29 GLN HE21 H 1 7.548 0.005 . 2 . . . . . . . . . 5220 1 315 . 1 1 29 29 GLN HE22 H 1 6.881 0.005 . 2 . . . . . . . . . 5220 1 316 . 1 1 29 29 GLN CA C 13 53.483 0.05 . 1 . . . . . . . . . 5220 1 317 . 1 1 29 29 GLN CB C 13 33.2975 0.119 . 1 . . . . . . . . . 5220 1 318 . 1 1 29 29 GLN N N 15 112.942 0.05 . 1 . . . . . . . . . 5220 1 319 . 1 1 29 29 GLN NE2 N 15 111.6285 0.05 . 1 . . . . . . . . . 5220 1 320 . 1 1 30 30 ASP HA H 1 4.843 0.008 . 1 . . . . . . . . . 5220 1 321 . 1 1 30 30 ASP HB2 H 1 2.6697 0.006 . 2 . . . . . . . . . 5220 1 322 . 1 1 30 30 ASP HB3 H 1 2.5887 0.006 . 2 . . . . . . . . . 5220 1 323 . 1 1 30 30 ASP H H 1 8.302 0.005 . 1 . . . . . . . . . 5220 1 324 . 1 1 30 30 ASP CA C 13 54.272 0.05 . 1 . . . . . . . . . 5220 1 325 . 1 1 30 30 ASP CB C 13 41.915 0.052 . 1 . . . . . . . . . 5220 1 326 . 1 1 30 30 ASP N N 15 117.488 0.05 . 1 . . . . . . . . . 5220 1 327 . 1 1 31 31 TYR HA H 1 4.615 0.007 . 1 . . . . . . . . . 5220 1 328 . 1 1 31 31 TYR HB2 H 1 2.6407 0.005 . 1 . . . . . . . . . 5220 1 329 . 1 1 31 31 TYR HB3 H 1 2.9067 0.009 . 1 . . . . . . . . . 5220 1 330 . 1 1 31 31 TYR HD1 H 1 7.401 0.005 . 1 . . . . . . . . . 5220 1 331 . 1 1 31 31 TYR HD2 H 1 7.401 0.005 . 1 . . . . . . . . . 5220 1 332 . 1 1 31 31 TYR HE1 H 1 6.933 0.005 . 1 . . . . . . . . . 5220 1 333 . 1 1 31 31 TYR HE2 H 1 6.933 0.005 . 1 . . . . . . . . . 5220 1 334 . 1 1 31 31 TYR H H 1 9.145 0.005 . 1 . . . . . . . . . 5220 1 335 . 1 1 31 31 TYR CA C 13 58.3035 0.137 . 1 . . . . . . . . . 5220 1 336 . 1 1 31 31 TYR CB C 13 43.0295 0.094 . 1 . . . . . . . . . 5220 1 337 . 1 1 31 31 TYR CD1 C 13 134.119 0.05 . 1 . . . . . . . . . 5220 1 338 . 1 1 31 31 TYR CD2 C 13 134.119 0.05 . 1 . . . . . . . . . 5220 1 339 . 1 1 31 31 TYR CE1 C 13 117.998 0.05 . 1 . . . . . . . . . 5220 1 340 . 1 1 31 31 TYR CE2 C 13 117.998 0.05 . 1 . . . . . . . . . 5220 1 341 . 1 1 31 31 TYR N N 15 123.302 0.05 . 1 . . . . . . . . . 5220 1 342 . 1 1 32 32 MET HA H 1 4.503 0.005 . 1 . . . . . . . . . 5220 1 343 . 1 1 32 32 MET HB2 H 1 1.724 0.006 . 1 . . . . . . . . . 5220 1 344 . 1 1 32 32 MET HB3 H 1 1.724 0.006 . 1 . . . . . . . . . 5220 1 345 . 1 1 32 32 MET HE1 H 1 1.974 0.005 . 1 . . . . . . . . . 5220 1 346 . 1 1 32 32 MET HE2 H 1 1.974 0.005 . 1 . . . . . . . . . 5220 1 347 . 1 1 32 32 MET HE3 H 1 1.974 0.005 . 1 . . . . . . . . . 5220 1 348 . 1 1 32 32 MET HG2 H 1 2.4784 0.008 . 2 . . . . . . . . . 5220 1 349 . 1 1 32 32 MET HG3 H 1 2.3518 0.005 . 2 . . . . . . . . . 5220 1 350 . 1 1 32 32 MET H H 1 7.984 0.005 . 1 . . . . . . . . . 5220 1 351 . 1 1 32 32 MET CA C 13 52.8 0.058 . 1 . . . . . . . . . 5220 1 352 . 1 1 32 32 MET CB C 13 32.334 0.148 . 1 . . . . . . . . . 5220 1 353 . 1 1 32 32 MET CE C 13 17.133 0.05 . 1 . . . . . . . . . 5220 1 354 . 1 1 32 32 MET CG C 13 32.0135 0.071 . 1 . . . . . . . . . 5220 1 355 . 1 1 32 32 MET N N 15 127.123 0.05 . 1 . . . . . . . . . 5220 1 356 . 1 1 33 33 ALA HA H 1 4.037 0.005 . 1 . . . . . . . . . 5220 1 357 . 1 1 33 33 ALA HB1 H 1 1.322 0.005 . 1 . . . . . . . . . 5220 1 358 . 1 1 33 33 ALA HB2 H 1 1.322 0.005 . 1 . . . . . . . . . 5220 1 359 . 1 1 33 33 ALA HB3 H 1 1.322 0.005 . 1 . . . . . . . . . 5220 1 360 . 1 1 33 33 ALA H H 1 7.856 0.005 . 1 . . . . . . . . . 5220 1 361 . 1 1 33 33 ALA CA C 13 50.926 0.05 . 1 . . . . . . . . . 5220 1 362 . 1 1 33 33 ALA CB C 13 20.676 0.051 . 1 . . . . . . . . . 5220 1 363 . 1 1 33 33 ALA N N 15 128.65 0.05 . 1 . . . . . . . . . 5220 1 364 . 1 1 34 34 PRO HA H 1 4.2482 0.005 . 1 . . . . . . . . . 5220 1 365 . 1 1 34 34 PRO HB2 H 1 2.1359 0.01 . 2 . . . . . . . . . 5220 1 366 . 1 1 34 34 PRO HB3 H 1 1.6897 0.01 . 2 . . . . . . . . . 5220 1 367 . 1 1 34 34 PRO HD2 H 1 3.7849 0.012 . 2 . . . . . . . . . 5220 1 368 . 1 1 34 34 PRO HD3 H 1 3.2322 0.007 . 2 . . . . . . . . . 5220 1 369 . 1 1 34 34 PRO HG2 H 1 1.5057 0.006 . 2 . . . . . . . . . 5220 1 370 . 1 1 34 34 PRO HG3 H 1 1.3433 0.007 . 2 . . . . . . . . . 5220 1 371 . 1 1 34 34 PRO CA C 13 64.3038 0.05 . 1 . . . . . . . . . 5220 1 372 . 1 1 34 34 PRO CB C 13 32.5594 0.074 . 1 . . . . . . . . . 5220 1 373 . 1 1 34 34 PRO CD C 13 52.459 0.084 . 1 . . . . . . . . . 5220 1 374 . 1 1 34 34 PRO CG C 13 27.0557 0.05 . 1 . . . . . . . . . 5220 1 375 . 1 1 35 35 ASP HA H 1 4.58 0.026 . 1 . . . . . . . . . 5220 1 376 . 1 1 35 35 ASP HB2 H 1 3.0595 0.023 . 1 . . . . . . . . . 5220 1 377 . 1 1 35 35 ASP HB3 H 1 3.0595 0.023 . 1 . . . . . . . . . 5220 1 378 . 1 1 35 35 ASP H H 1 7.409 0.005 . 1 . . . . . . . . . 5220 1 379 . 1 1 35 35 ASP CA C 13 53.466 0.082 . 1 . . . . . . . . . 5220 1 380 . 1 1 35 35 ASP CB C 13 42.116 0.111 . 1 . . . . . . . . . 5220 1 381 . 1 1 35 35 ASP N N 15 108.892 0.05 . 1 . . . . . . . . . 5220 1 382 . 1 1 36 36 CYS HA H 1 4.7505 0.005 . 1 . . . . . . . . . 5220 1 383 . 1 1 36 36 CYS HB2 H 1 3.6397 0.007 . 2 . . . . . . . . . 5220 1 384 . 1 1 36 36 CYS HB3 H 1 3.354 0.005 . 2 . . . . . . . . . 5220 1 385 . 1 1 36 36 CYS H H 1 8.729 0.005 . 1 . . . . . . . . . 5220 1 386 . 1 1 36 36 CYS CA C 13 58.453 0.072 . 1 . . . . . . . . . 5220 1 387 . 1 1 36 36 CYS CB C 13 41.899 0.05 . 1 . . . . . . . . . 5220 1 388 . 1 1 36 36 CYS N N 15 114.991 0.05 . 1 . . . . . . . . . 5220 1 389 . 1 1 37 37 ARG HA H 1 4.309 0.007 . 1 . . . . . . . . . 5220 1 390 . 1 1 37 37 ARG HB2 H 1 1.493 0.005 . 1 . . . . . . . . . 5220 1 391 . 1 1 37 37 ARG HB3 H 1 1.826 0.005 . 1 . . . . . . . . . 5220 1 392 . 1 1 37 37 ARG HD2 H 1 3.4715 0.005 . 2 . . . . . . . . . 5220 1 393 . 1 1 37 37 ARG HD3 H 1 2.5625 0.005 . 2 . . . . . . . . . 5220 1 394 . 1 1 37 37 ARG HG2 H 1 1.892 0.005 . 2 . . . . . . . . . 5220 1 395 . 1 1 37 37 ARG HG3 H 1 1.628 0.005 . 2 . . . . . . . . . 5220 1 396 . 1 1 37 37 ARG H H 1 9.325 0.005 . 1 . . . . . . . . . 5220 1 397 . 1 1 37 37 ARG CA C 13 58.47 0.05 . 1 . . . . . . . . . 5220 1 398 . 1 1 37 37 ARG CB C 13 32.441 0.05 . 1 . . . . . . . . . 5220 1 399 . 1 1 37 37 ARG CD C 13 44.461 0.082 . 1 . . . . . . . . . 5220 1 400 . 1 1 37 37 ARG CG C 13 26.534 0.104 . 1 . . . . . . . . . 5220 1 401 . 1 1 37 37 ARG N N 15 122.298 0.05 . 1 . . . . . . . . . 5220 1 402 . 1 1 38 38 PHE HA H 1 5.3922 0.012 . 1 . . . . . . . . . 5220 1 403 . 1 1 38 38 PHE HB2 H 1 3.7825 0.011 . 1 . . . . . . . . . 5220 1 404 . 1 1 38 38 PHE HB3 H 1 3.1245 0.005 . 1 . . . . . . . . . 5220 1 405 . 1 1 38 38 PHE HD1 H 1 7.351 0.005 . 1 . . . . . . . . . 5220 1 406 . 1 1 38 38 PHE HD2 H 1 7.351 0.005 . 1 . . . . . . . . . 5220 1 407 . 1 1 38 38 PHE HE1 H 1 6.839 0.005 . 1 . . . . . . . . . 5220 1 408 . 1 1 38 38 PHE HE2 H 1 6.839 0.005 . 1 . . . . . . . . . 5220 1 409 . 1 1 38 38 PHE HZ H 1 6.575 0.005 . 1 . . . . . . . . . 5220 1 410 . 1 1 38 38 PHE H H 1 8.438 0.005 . 1 . . . . . . . . . 5220 1 411 . 1 1 38 38 PHE CA C 13 57.37 0.073 . 1 . . . . . . . . . 5220 1 412 . 1 1 38 38 PHE CB C 13 42.399 0.141 . 1 . . . . . . . . . 5220 1 413 . 1 1 38 38 PHE CD1 C 13 133.288 0.05 . 1 . . . . . . . . . 5220 1 414 . 1 1 38 38 PHE CD2 C 13 133.288 0.05 . 1 . . . . . . . . . 5220 1 415 . 1 1 38 38 PHE CE1 C 13 130.695 0.05 . 1 . . . . . . . . . 5220 1 416 . 1 1 38 38 PHE CE2 C 13 130.695 0.05 . 1 . . . . . . . . . 5220 1 417 . 1 1 38 38 PHE CZ C 13 129.468 0.05 . 1 . . . . . . . . . 5220 1 418 . 1 1 38 38 PHE N N 15 115.617 0.05 . 1 . . . . . . . . . 5220 1 419 . 1 1 39 39 LEU HA H 1 4.6424 0.008 . 1 . . . . . . . . . 5220 1 420 . 1 1 39 39 LEU HB2 H 1 1.6546 0.006 . 2 . . . . . . . . . 5220 1 421 . 1 1 39 39 LEU HB3 H 1 1.4553 0.005 . 2 . . . . . . . . . 5220 1 422 . 1 1 39 39 LEU HD11 H 1 0.9734 0.005 . 2 . . . . . . . . . 5220 1 423 . 1 1 39 39 LEU HD12 H 1 0.9734 0.005 . 2 . . . . . . . . . 5220 1 424 . 1 1 39 39 LEU HD13 H 1 0.9734 0.005 . 2 . . . . . . . . . 5220 1 425 . 1 1 39 39 LEU HD21 H 1 0.8984 0.005 . 2 . . . . . . . . . 5220 1 426 . 1 1 39 39 LEU HD22 H 1 0.8984 0.005 . 2 . . . . . . . . . 5220 1 427 . 1 1 39 39 LEU HD23 H 1 0.8984 0.005 . 2 . . . . . . . . . 5220 1 428 . 1 1 39 39 LEU HG H 1 1.5729 0.005 . 1 . . . . . . . . . 5220 1 429 . 1 1 39 39 LEU H H 1 9.144 0.005 . 1 . . . . . . . . . 5220 1 430 . 1 1 39 39 LEU CA C 13 53.775 0.059 . 1 . . . . . . . . . 5220 1 431 . 1 1 39 39 LEU CB C 13 45.196 0.061 . 1 . . . . . . . . . 5220 1 432 . 1 1 39 39 LEU CD1 C 13 24.833 0.05 . 1 . . . . . . . . . 5220 1 433 . 1 1 39 39 LEU CD2 C 13 23.394 0.062 . 1 . . . . . . . . . 5220 1 434 . 1 1 39 39 LEU CG C 13 26.8617 0.05 . 1 . . . . . . . . . 5220 1 435 . 1 1 39 39 LEU N N 15 122.021 0.05 . 1 . . . . . . . . . 5220 1 436 . 1 1 40 40 THR HA H 1 4.9175 0.005 . 1 . . . . . . . . . 5220 1 437 . 1 1 40 40 THR HB H 1 4.055 0.005 . 1 . . . . . . . . . 5220 1 438 . 1 1 40 40 THR HG21 H 1 1.2385 0.007 . 1 . . . . . . . . . 5220 1 439 . 1 1 40 40 THR HG22 H 1 1.2385 0.007 . 1 . . . . . . . . . 5220 1 440 . 1 1 40 40 THR HG23 H 1 1.2385 0.007 . 1 . . . . . . . . . 5220 1 441 . 1 1 40 40 THR H H 1 7.82 0.005 . 1 . . . . . . . . . 5220 1 442 . 1 1 40 40 THR CA C 13 63.014 0.05 . 1 . . . . . . . . . 5220 1 443 . 1 1 40 40 THR CB C 13 69.954 0.13 . 1 . . . . . . . . . 5220 1 444 . 1 1 40 40 THR CG2 C 13 22.04 0.05 . 1 . . . . . . . . . 5220 1 445 . 1 1 40 40 THR N N 15 118.008 0.05 . 1 . . . . . . . . . 5220 1 446 . 1 1 41 41 ILE HA H 1 4.4005 0.021 . 1 . . . . . . . . . 5220 1 447 . 1 1 41 41 ILE HB H 1 1.4886 0.005 . 1 . . . . . . . . . 5220 1 448 . 1 1 41 41 ILE HD11 H 1 0.2918 0.008 . 1 . . . . . . . . . 5220 1 449 . 1 1 41 41 ILE HD12 H 1 0.2918 0.008 . 1 . . . . . . . . . 5220 1 450 . 1 1 41 41 ILE HD13 H 1 0.2918 0.008 . 1 . . . . . . . . . 5220 1 451 . 1 1 41 41 ILE HG12 H 1 1.4489 0.007 . 2 . . . . . . . . . 5220 1 452 . 1 1 41 41 ILE HG13 H 1 0.7765 0.008 . 2 . . . . . . . . . 5220 1 453 . 1 1 41 41 ILE HG21 H 1 0.6951 0.006 . 1 . . . . . . . . . 5220 1 454 . 1 1 41 41 ILE HG22 H 1 0.6951 0.006 . 1 . . . . . . . . . 5220 1 455 . 1 1 41 41 ILE HG23 H 1 0.6951 0.006 . 1 . . . . . . . . . 5220 1 456 . 1 1 41 41 ILE H H 1 9.119 0.005 . 1 . . . . . . . . . 5220 1 457 . 1 1 41 41 ILE CA C 13 59.853 0.095 . 1 . . . . . . . . . 5220 1 458 . 1 1 41 41 ILE CB C 13 43.2167 0.072 . 1 . . . . . . . . . 5220 1 459 . 1 1 41 41 ILE CD1 C 13 13.556 0.05 . 1 . . . . . . . . . 5220 1 460 . 1 1 41 41 ILE CG1 C 13 27.35 0.063 . 1 . . . . . . . . . 5220 1 461 . 1 1 41 41 ILE CG2 C 13 19.267 0.05 . 1 . . . . . . . . . 5220 1 462 . 1 1 41 41 ILE N N 15 127.399 0.05 . 1 . . . . . . . . . 5220 1 463 . 1 1 42 42 HIS HA H 1 5.2605 0.005 . 1 . . . . . . . . . 5220 1 464 . 1 1 42 42 HIS HB2 H 1 3.1917 0.006 . 1 . . . . . . . . . 5220 1 465 . 1 1 42 42 HIS HB3 H 1 2.8763 0.007 . 1 . . . . . . . . . 5220 1 466 . 1 1 42 42 HIS HD2 H 1 7.211 0.005 . 1 . . . . . . . . . 5220 1 467 . 1 1 42 42 HIS HE1 H 1 8.542 0.005 . 1 . . . . . . . . . 5220 1 468 . 1 1 42 42 HIS H H 1 8.756 0.005 . 1 . . . . . . . . . 5220 1 469 . 1 1 42 42 HIS CA C 13 53.075 0.05 . 1 . . . . . . . . . 5220 1 470 . 1 1 42 42 HIS CB C 13 30.654 0.089 . 1 . . . . . . . . . 5220 1 471 . 1 1 42 42 HIS CD2 C 13 119.858 0.05 . 1 . . . . . . . . . 5220 1 472 . 1 1 42 42 HIS CE1 C 13 136.138 0.05 . 1 . . . . . . . . . 5220 1 473 . 1 1 42 42 HIS N N 15 122.916 0.05 . 1 . . . . . . . . . 5220 1 474 . 1 1 43 43 ARG HA H 1 3.2237 0.018 . 1 . . . . . . . . . 5220 1 475 . 1 1 43 43 ARG HB2 H 1 1.6799 0.016 . 1 . . . . . . . . . 5220 1 476 . 1 1 43 43 ARG HB3 H 1 1.4543 0.005 . 1 . . . . . . . . . 5220 1 477 . 1 1 43 43 ARG HD2 H 1 3.1723 0.006 . 1 . . . . . . . . . 5220 1 478 . 1 1 43 43 ARG HD3 H 1 3.1723 0.006 . 1 . . . . . . . . . 5220 1 479 . 1 1 43 43 ARG HG2 H 1 1.4299 0.005 . 2 . . . . . . . . . 5220 1 480 . 1 1 43 43 ARG HG3 H 1 1.3165 0.011 . 2 . . . . . . . . . 5220 1 481 . 1 1 43 43 ARG H H 1 8.994 0.005 . 1 . . . . . . . . . 5220 1 482 . 1 1 43 43 ARG HE H 1 7.091 0.005 . 1 . . . . . . . . . 5220 1 483 . 1 1 43 43 ARG CA C 13 58.5812 0.056 . 1 . . . . . . . . . 5220 1 484 . 1 1 43 43 ARG CB C 13 30.338 0.143 . 1 . . . . . . . . . 5220 1 485 . 1 1 43 43 ARG CD C 13 43.5192 0.076 . 1 . . . . . . . . . 5220 1 486 . 1 1 43 43 ARG CG C 13 26.8614 0.113 . 1 . . . . . . . . . 5220 1 487 . 1 1 43 43 ARG N N 15 122.315 0.05 . 1 . . . . . . . . . 5220 1 488 . 1 1 43 43 ARG NE N 15 83.965 0.05 . 1 . . . . . . . . . 5220 1 489 . 1 1 44 44 GLY HA2 H 1 4.402 0.008 . 2 . . . . . . . . . 5220 1 490 . 1 1 44 44 GLY HA3 H 1 3.4895 0.005 . 2 . . . . . . . . . 5220 1 491 . 1 1 44 44 GLY H H 1 8.809 0.006 . 1 . . . . . . . . . 5220 1 492 . 1 1 44 44 GLY CA C 13 44.927 0.13 . 1 . . . . . . . . . 5220 1 493 . 1 1 44 44 GLY N N 15 114.49 0.05 . 1 . . . . . . . . . 5220 1 494 . 1 1 45 45 GLN HA H 1 4.2562 0.01 . 1 . . . . . . . . . 5220 1 495 . 1 1 45 45 GLN HB2 H 1 2.1266 0.007 . 1 . . . . . . . . . 5220 1 496 . 1 1 45 45 GLN HB3 H 1 1.972 0.014 . 1 . . . . . . . . . 5220 1 497 . 1 1 45 45 GLN HG2 H 1 2.4709 0.01 . 1 . . . . . . . . . 5220 1 498 . 1 1 45 45 GLN HG3 H 1 2.396 0.008 . 1 . . . . . . . . . 5220 1 499 . 1 1 45 45 GLN H H 1 8.083 0.005 . 1 . . . . . . . . . 5220 1 500 . 1 1 45 45 GLN HE21 H 1 7.75 0.005 . 1 . . . . . . . . . 5220 1 501 . 1 1 45 45 GLN HE22 H 1 6.918 0.005 . 1 . . . . . . . . . 5220 1 502 . 1 1 45 45 GLN CA C 13 57.417 0.05 . 1 . . . . . . . . . 5220 1 503 . 1 1 45 45 GLN CB C 13 30.516 0.129 . 1 . . . . . . . . . 5220 1 504 . 1 1 45 45 GLN CG C 13 35.8264 0.134 . 1 . . . . . . . . . 5220 1 505 . 1 1 45 45 GLN N N 15 120.083 0.05 . 1 . . . . . . . . . 5220 1 506 . 1 1 45 45 GLN NE2 N 15 112.298 0.05 . 1 . . . . . . . . . 5220 1 507 . 1 1 46 46 VAL HA H 1 4.5005 0.007 . 1 . . . . . . . . . 5220 1 508 . 1 1 46 46 VAL HB H 1 1.889 0.014 . 1 . . . . . . . . . 5220 1 509 . 1 1 46 46 VAL HG11 H 1 0.6957 0.007 . 1 . . . . . . . . . 5220 1 510 . 1 1 46 46 VAL HG12 H 1 0.6957 0.007 . 1 . . . . . . . . . 5220 1 511 . 1 1 46 46 VAL HG13 H 1 0.6957 0.007 . 1 . . . . . . . . . 5220 1 512 . 1 1 46 46 VAL HG21 H 1 0.9887 0.009 . 1 . . . . . . . . . 5220 1 513 . 1 1 46 46 VAL HG22 H 1 0.9887 0.009 . 1 . . . . . . . . . 5220 1 514 . 1 1 46 46 VAL HG23 H 1 0.9887 0.009 . 1 . . . . . . . . . 5220 1 515 . 1 1 46 46 VAL H H 1 8.386 0.005 . 1 . . . . . . . . . 5220 1 516 . 1 1 46 46 VAL CA C 13 62.286 0.072 . 1 . . . . . . . . . 5220 1 517 . 1 1 46 46 VAL CB C 13 32.503 0.05 . 1 . . . . . . . . . 5220 1 518 . 1 1 46 46 VAL CG1 C 13 21.388 0.05 . 1 . . . . . . . . . 5220 1 519 . 1 1 46 46 VAL CG2 C 13 22.0077 0.05 . 1 . . . . . . . . . 5220 1 520 . 1 1 46 46 VAL N N 15 122.949 0.05 . 1 . . . . . . . . . 5220 1 521 . 1 1 47 47 VAL HA H 1 4.5627 0.007 . 1 . . . . . . . . . 5220 1 522 . 1 1 47 47 VAL HB H 1 1.5433 0.007 . 1 . . . . . . . . . 5220 1 523 . 1 1 47 47 VAL HG11 H 1 0.4783 0.005 . 1 . . . . . . . . . 5220 1 524 . 1 1 47 47 VAL HG12 H 1 0.4783 0.005 . 1 . . . . . . . . . 5220 1 525 . 1 1 47 47 VAL HG13 H 1 0.4783 0.005 . 1 . . . . . . . . . 5220 1 526 . 1 1 47 47 VAL HG21 H 1 0.4803 0.005 . 1 . . . . . . . . . 5220 1 527 . 1 1 47 47 VAL HG22 H 1 0.4803 0.005 . 1 . . . . . . . . . 5220 1 528 . 1 1 47 47 VAL HG23 H 1 0.4803 0.005 . 1 . . . . . . . . . 5220 1 529 . 1 1 47 47 VAL H H 1 8.993 0.005 . 1 . . . . . . . . . 5220 1 530 . 1 1 47 47 VAL CA C 13 59.8677 0.079 . 1 . . . . . . . . . 5220 1 531 . 1 1 47 47 VAL CB C 13 35.5427 0.05 . 1 . . . . . . . . . 5220 1 532 . 1 1 47 47 VAL CG1 C 13 21.1155 0.05 . 1 . . . . . . . . . 5220 1 533 . 1 1 47 47 VAL CG2 C 13 20.602 0.05 . 1 . . . . . . . . . 5220 1 534 . 1 1 47 47 VAL N N 15 125.751 0.05 . 1 . . . . . . . . . 5220 1 535 . 1 1 48 48 TYR HA H 1 4.9058 0.005 . 1 . . . . . . . . . 5220 1 536 . 1 1 48 48 TYR HB2 H 1 2.478 0.012 . 1 . . . . . . . . . 5220 1 537 . 1 1 48 48 TYR HB3 H 1 3.1855 0.005 . 1 . . . . . . . . . 5220 1 538 . 1 1 48 48 TYR HD1 H 1 6.921 0.005 . 1 . . . . . . . . . 5220 1 539 . 1 1 48 48 TYR HD2 H 1 6.921 0.005 . 1 . . . . . . . . . 5220 1 540 . 1 1 48 48 TYR HE1 H 1 6.773 0.005 . 1 . . . . . . . . . 5220 1 541 . 1 1 48 48 TYR HE2 H 1 6.773 0.005 . 1 . . . . . . . . . 5220 1 542 . 1 1 48 48 TYR H H 1 9.179 0.005 . 1 . . . . . . . . . 5220 1 543 . 1 1 48 48 TYR CA C 13 57.654 0.051 . 1 . . . . . . . . . 5220 1 544 . 1 1 48 48 TYR CB C 13 39.904 0.05 . 1 . . . . . . . . . 5220 1 545 . 1 1 48 48 TYR CD1 C 13 132.572 0.05 . 1 . . . . . . . . . 5220 1 546 . 1 1 48 48 TYR CD2 C 13 132.572 0.05 . 1 . . . . . . . . . 5220 1 547 . 1 1 48 48 TYR CE1 C 13 118.132 0.05 . 1 . . . . . . . . . 5220 1 548 . 1 1 48 48 TYR CE2 C 13 118.132 0.05 . 1 . . . . . . . . . 5220 1 549 . 1 1 48 48 TYR N N 15 124.867 0.05 . 1 . . . . . . . . . 5220 1 550 . 1 1 49 49 VAL HA H 1 4.3787 0.014 . 1 . . . . . . . . . 5220 1 551 . 1 1 49 49 VAL HB H 1 2.5117 0.008 . 1 . . . . . . . . . 5220 1 552 . 1 1 49 49 VAL HG11 H 1 0.6905 0.005 . 1 . . . . . . . . . 5220 1 553 . 1 1 49 49 VAL HG12 H 1 0.6905 0.005 . 1 . . . . . . . . . 5220 1 554 . 1 1 49 49 VAL HG13 H 1 0.6905 0.005 . 1 . . . . . . . . . 5220 1 555 . 1 1 49 49 VAL HG21 H 1 1.1142 0.005 . 1 . . . . . . . . . 5220 1 556 . 1 1 49 49 VAL HG22 H 1 1.1142 0.005 . 1 . . . . . . . . . 5220 1 557 . 1 1 49 49 VAL HG23 H 1 1.1142 0.005 . 1 . . . . . . . . . 5220 1 558 . 1 1 49 49 VAL H H 1 8.971 0.005 . 1 . . . . . . . . . 5220 1 559 . 1 1 49 49 VAL CA C 13 63.345 0.075 . 1 . . . . . . . . . 5220 1 560 . 1 1 49 49 VAL CB C 13 31.6887 0.091 . 1 . . . . . . . . . 5220 1 561 . 1 1 49 49 VAL CG1 C 13 22.121 0.05 . 1 . . . . . . . . . 5220 1 562 . 1 1 49 49 VAL CG2 C 13 21.952 0.05 . 1 . . . . . . . . . 5220 1 563 . 1 1 49 49 VAL N N 15 125.277 0.05 . 1 . . . . . . . . . 5220 1 564 . 1 1 50 50 PHE HA H 1 4.4867 0.005 . 1 . . . . . . . . . 5220 1 565 . 1 1 50 50 PHE HB2 H 1 3.034 0.007 . 2 . . . . . . . . . 5220 1 566 . 1 1 50 50 PHE HB3 H 1 2.8072 0.018 . 2 . . . . . . . . . 5220 1 567 . 1 1 50 50 PHE HD1 H 1 7.127 0.005 . 1 . . . . . . . . . 5220 1 568 . 1 1 50 50 PHE HD2 H 1 7.127 0.005 . 1 . . . . . . . . . 5220 1 569 . 1 1 50 50 PHE HE1 H 1 7.127 0.005 . 1 . . . . . . . . . 5220 1 570 . 1 1 50 50 PHE HE2 H 1 7.127 0.005 . 1 . . . . . . . . . 5220 1 571 . 1 1 50 50 PHE HZ H 1 7.085 0.005 . 1 . . . . . . . . . 5220 1 572 . 1 1 50 50 PHE H H 1 9.848 0.005 . 1 . . . . . . . . . 5220 1 573 . 1 1 50 50 PHE CA C 13 60.354 0.097 . 1 . . . . . . . . . 5220 1 574 . 1 1 50 50 PHE CB C 13 42.516 0.189 . 1 . . . . . . . . . 5220 1 575 . 1 1 50 50 PHE CD1 C 13 131.723 0.6 . 4 . . . . . . . . . 5220 1 576 . 1 1 50 50 PHE CD2 C 13 131.723 0.6 . 4 . . . . . . . . . 5220 1 577 . 1 1 50 50 PHE CE1 C 13 131.255 0.6 . 4 . . . . . . . . . 5220 1 578 . 1 1 50 50 PHE CE2 C 13 131.255 0.6 . 4 . . . . . . . . . 5220 1 579 . 1 1 50 50 PHE CZ C 13 129.626 0.05 . 1 . . . . . . . . . 5220 1 580 . 1 1 50 50 PHE N N 15 127.257 0.05 . 1 . . . . . . . . . 5220 1 581 . 1 1 51 51 SER HA H 1 5.4867 0.014 . 1 . . . . . . . . . 5220 1 582 . 1 1 51 51 SER HB2 H 1 3.971 0.006 . 1 . . . . . . . . . 5220 1 583 . 1 1 51 51 SER HB3 H 1 3.6183 0.005 . 1 . . . . . . . . . 5220 1 584 . 1 1 51 51 SER H H 1 8.578 0.005 . 1 . . . . . . . . . 5220 1 585 . 1 1 51 51 SER CA C 13 56.2315 0.05 . 1 . . . . . . . . . 5220 1 586 . 1 1 51 51 SER CB C 13 67.4972 0.05 . 1 . . . . . . . . . 5220 1 587 . 1 1 51 51 SER N N 15 111.945 0.05 . 1 . . . . . . . . . 5220 1 588 . 1 1 52 52 LYS HA H 1 4.828 0.005 . 1 . . . . . . . . . 5220 1 589 . 1 1 52 52 LYS HB2 H 1 1.654 0.005 . 2 . . . . . . . . . 5220 1 590 . 1 1 52 52 LYS HB3 H 1 1.421 0.005 . 2 . . . . . . . . . 5220 1 591 . 1 1 52 52 LYS HD2 H 1 1.169 0.005 . 2 . . . . . . . . . 5220 1 592 . 1 1 52 52 LYS HD3 H 1 0.999 0.005 . 2 . . . . . . . . . 5220 1 593 . 1 1 52 52 LYS HE2 H 1 1.645 0.005 . 2 . . . . . . . . . 5220 1 594 . 1 1 52 52 LYS HE3 H 1 0.212 0.005 . 2 . . . . . . . . . 5220 1 595 . 1 1 52 52 LYS HG2 H 1 0.38 0.005 . 2 . . . . . . . . . 5220 1 596 . 1 1 52 52 LYS HG3 H 1 -0.809 0.005 . 2 . . . . . . . . . 5220 1 597 . 1 1 52 52 LYS H H 1 8.612 0.005 . 1 . . . . . . . . . 5220 1 598 . 1 1 52 52 LYS CA C 13 55.605 0.16 . 1 . . . . . . . . . 5220 1 599 . 1 1 52 52 LYS CB C 13 34.775 0.052 . 1 . . . . . . . . . 5220 1 600 . 1 1 52 52 LYS CD C 13 30.025 0.05 . 1 . . . . . . . . . 5220 1 601 . 1 1 52 52 LYS CE C 13 41.6365 0.05 . 1 . . . . . . . . . 5220 1 602 . 1 1 52 52 LYS CG C 13 24.4185 0.05 . 1 . . . . . . . . . 5220 1 603 . 1 1 52 52 LYS N N 15 120.237 0.05 . 1 . . . . . . . . . 5220 1 604 . 1 1 53 53 LEU HA H 1 4.366 0.006 . 1 . . . . . . . . . 5220 1 605 . 1 1 53 53 LEU HB2 H 1 2.789 0.01 . 2 . . . . . . . . . 5220 1 606 . 1 1 53 53 LEU HB3 H 1 1.08 0.012 . 2 . . . . . . . . . 5220 1 607 . 1 1 53 53 LEU HD11 H 1 0.8987 0.008 . 2 . . . . . . . . . 5220 1 608 . 1 1 53 53 LEU HD12 H 1 0.8987 0.008 . 2 . . . . . . . . . 5220 1 609 . 1 1 53 53 LEU HD13 H 1 0.8987 0.008 . 2 . . . . . . . . . 5220 1 610 . 1 1 53 53 LEU HD21 H 1 0.791 0.007 . 2 . . . . . . . . . 5220 1 611 . 1 1 53 53 LEU HD22 H 1 0.791 0.007 . 2 . . . . . . . . . 5220 1 612 . 1 1 53 53 LEU HD23 H 1 0.791 0.007 . 2 . . . . . . . . . 5220 1 613 . 1 1 53 53 LEU HG H 1 1.8068 0.008 . 1 . . . . . . . . . 5220 1 614 . 1 1 53 53 LEU H H 1 8.288 0.005 . 1 . . . . . . . . . 5220 1 615 . 1 1 53 53 LEU CA C 13 56.3244 0.094 . 1 . . . . . . . . . 5220 1 616 . 1 1 53 53 LEU CB C 13 39.8644 0.08 . 1 . . . . . . . . . 5220 1 617 . 1 1 53 53 LEU CD1 C 13 22.4892 0.05 . 1 . . . . . . . . . 5220 1 618 . 1 1 53 53 LEU CD2 C 13 26.4702 0.05 . 1 . . . . . . . . . 5220 1 619 . 1 1 53 53 LEU CG C 13 26.898 0.095 . 1 . . . . . . . . . 5220 1 620 . 1 1 53 53 LEU N N 15 121.534 0.05 . 1 . . . . . . . . . 5220 1 621 . 1 1 54 54 LYS HA H 1 4.7518 0.005 . 1 . . . . . . . . . 5220 1 622 . 1 1 54 54 LYS HB2 H 1 1.9252 0.007 . 2 . . . . . . . . . 5220 1 623 . 1 1 54 54 LYS HB3 H 1 1.4563 0.008 . 2 . . . . . . . . . 5220 1 624 . 1 1 54 54 LYS HD2 H 1 1.6337 0.006 . 2 . . . . . . . . . 5220 1 625 . 1 1 54 54 LYS HD3 H 1 1.4546 0.005 . 2 . . . . . . . . . 5220 1 626 . 1 1 54 54 LYS HE2 H 1 2.9181 0.005 . 2 . . . . . . . . . 5220 1 627 . 1 1 54 54 LYS HE3 H 1 2.8705 0.005 . 2 . . . . . . . . . 5220 1 628 . 1 1 54 54 LYS HG2 H 1 1.3635 0.01 . 2 . . . . . . . . . 5220 1 629 . 1 1 54 54 LYS HG3 H 1 1.2997 0.006 . 2 . . . . . . . . . 5220 1 630 . 1 1 54 54 LYS H H 1 7.421 0.005 . 1 . . . . . . . . . 5220 1 631 . 1 1 54 54 LYS CA C 13 54.5673 0.05 . 1 . . . . . . . . . 5220 1 632 . 1 1 54 54 LYS CB C 13 35.7716 0.059 . 1 . . . . . . . . . 5220 1 633 . 1 1 54 54 LYS CD C 13 28.9373 0.05 . 1 . . . . . . . . . 5220 1 634 . 1 1 54 54 LYS CE C 13 41.4105 0.054 . 1 . . . . . . . . . 5220 1 635 . 1 1 54 54 LYS CG C 13 25.041 0.05 . 1 . . . . . . . . . 5220 1 636 . 1 1 54 54 LYS N N 15 115.544 0.05 . 1 . . . . . . . . . 5220 1 637 . 1 1 55 55 GLY HA2 H 1 4.007 0.006 . 2 . . . . . . . . . 5220 1 638 . 1 1 55 55 GLY HA3 H 1 3.8525 0.005 . 2 . . . . . . . . . 5220 1 639 . 1 1 55 55 GLY H H 1 9.141 0.005 . 1 . . . . . . . . . 5220 1 640 . 1 1 55 55 GLY CA C 13 47.107 0.054 . 1 . . . . . . . . . 5220 1 641 . 1 1 55 55 GLY N N 15 111.503 0.05 . 1 . . . . . . . . . 5220 1 642 . 1 1 56 56 ARG HA H 1 4.3046 0.006 . 1 . . . . . . . . . 5220 1 643 . 1 1 56 56 ARG HB2 H 1 2.0046 0.006 . 2 . . . . . . . . . 5220 1 644 . 1 1 56 56 ARG HB3 H 1 1.8655 0.012 . 2 . . . . . . . . . 5220 1 645 . 1 1 56 56 ARG HD2 H 1 3.1801 0.005 . 1 . . . . . . . . . 5220 1 646 . 1 1 56 56 ARG HD3 H 1 3.1801 0.005 . 1 . . . . . . . . . 5220 1 647 . 1 1 56 56 ARG HG2 H 1 1.7581 0.005 . 2 . . . . . . . . . 5220 1 648 . 1 1 56 56 ARG HG3 H 1 1.6848 0.009 . 2 . . . . . . . . . 5220 1 649 . 1 1 56 56 ARG H H 1 9.144 0.005 . 1 . . . . . . . . . 5220 1 650 . 1 1 56 56 ARG HE H 1 7.337 0.005 . 1 . . . . . . . . . 5220 1 651 . 1 1 56 56 ARG CA C 13 58.0142 0.074 . 1 . . . . . . . . . 5220 1 652 . 1 1 56 56 ARG CB C 13 29.1717 0.149 . 1 . . . . . . . . . 5220 1 653 . 1 1 56 56 ARG CD C 13 43.3765 0.05 . 1 . . . . . . . . . 5220 1 654 . 1 1 56 56 ARG CG C 13 26.6477 0.05 . 1 . . . . . . . . . 5220 1 655 . 1 1 56 56 ARG N N 15 127.117 0.05 . 1 . . . . . . . . . 5220 1 656 . 1 1 56 56 ARG NE N 15 85.819 0.05 . 1 . . . . . . . . . 5220 1 657 . 1 1 57 57 GLY HA2 H 1 4.6875 0.005 . 2 . . . . . . . . . 5220 1 658 . 1 1 57 57 GLY HA3 H 1 3.5435 0.005 . 2 . . . . . . . . . 5220 1 659 . 1 1 57 57 GLY H H 1 7.737 0.005 . 1 . . . . . . . . . 5220 1 660 . 1 1 57 57 GLY CA C 13 45.804 0.052 . 1 . . . . . . . . . 5220 1 661 . 1 1 57 57 GLY N N 15 107.18 0.05 . 1 . . . . . . . . . 5220 1 662 . 1 1 58 58 ARG HA H 1 4.3002 0.005 . 1 . . . . . . . . . 5220 1 663 . 1 1 58 58 ARG HB2 H 1 2.1071 0.008 . 2 . . . . . . . . . 5220 1 664 . 1 1 58 58 ARG HB3 H 1 1.9401 0.015 . 2 . . . . . . . . . 5220 1 665 . 1 1 58 58 ARG HD2 H 1 3.228 0.005 . 1 . . . . . . . . . 5220 1 666 . 1 1 58 58 ARG HD3 H 1 3.228 0.005 . 1 . . . . . . . . . 5220 1 667 . 1 1 58 58 ARG HG2 H 1 1.7473 0.007 . 2 . . . . . . . . . 5220 1 668 . 1 1 58 58 ARG HG3 H 1 1.4076 0.011 . 2 . . . . . . . . . 5220 1 669 . 1 1 58 58 ARG H H 1 7.327 0.005 . 1 . . . . . . . . . 5220 1 670 . 1 1 58 58 ARG HE H 1 7.199 0.005 . 1 . . . . . . . . . 5220 1 671 . 1 1 58 58 ARG CA C 13 57.72 0.068 . 1 . . . . . . . . . 5220 1 672 . 1 1 58 58 ARG CB C 13 29.7056 0.087 . 1 . . . . . . . . . 5220 1 673 . 1 1 58 58 ARG CD C 13 43.495 0.05 . 1 . . . . . . . . . 5220 1 674 . 1 1 58 58 ARG CG C 13 25.9568 0.05 . 1 . . . . . . . . . 5220 1 675 . 1 1 58 58 ARG N N 15 116.086 0.05 . 1 . . . . . . . . . 5220 1 676 . 1 1 58 58 ARG NE N 15 84.669 0.05 . 1 . . . . . . . . . 5220 1 677 . 1 1 59 59 LEU HA H 1 3.9793 0.006 . 1 . . . . . . . . . 5220 1 678 . 1 1 59 59 LEU HB2 H 1 0.9498 0.008 . 2 . . . . . . . . . 5220 1 679 . 1 1 59 59 LEU HB3 H 1 0.8766 0.006 . 2 . . . . . . . . . 5220 1 680 . 1 1 59 59 LEU HD11 H 1 0.7414 0.006 . 2 . . . . . . . . . 5220 1 681 . 1 1 59 59 LEU HD12 H 1 0.7414 0.006 . 2 . . . . . . . . . 5220 1 682 . 1 1 59 59 LEU HD13 H 1 0.7414 0.006 . 2 . . . . . . . . . 5220 1 683 . 1 1 59 59 LEU HD21 H 1 0.662 0.006 . 2 . . . . . . . . . 5220 1 684 . 1 1 59 59 LEU HD22 H 1 0.662 0.006 . 2 . . . . . . . . . 5220 1 685 . 1 1 59 59 LEU HD23 H 1 0.662 0.006 . 2 . . . . . . . . . 5220 1 686 . 1 1 59 59 LEU HG H 1 1.2904 0.01 . 1 . . . . . . . . . 5220 1 687 . 1 1 59 59 LEU H H 1 7.951 0.005 . 1 . . . . . . . . . 5220 1 688 . 1 1 59 59 LEU CA C 13 56.416 0.05 . 1 . . . . . . . . . 5220 1 689 . 1 1 59 59 LEU CB C 13 41.5481 0.089 . 1 . . . . . . . . . 5220 1 690 . 1 1 59 59 LEU CD1 C 13 24.5018 0.05 . 1 . . . . . . . . . 5220 1 691 . 1 1 59 59 LEU CD2 C 13 23.066 0.05 . 1 . . . . . . . . . 5220 1 692 . 1 1 59 59 LEU CG C 13 26.9812 0.05 . 1 . . . . . . . . . 5220 1 693 . 1 1 59 59 LEU N N 15 120.97 0.05 . 1 . . . . . . . . . 5220 1 694 . 1 1 60 60 PHE HA H 1 5.1588 0.01 . 1 . . . . . . . . . 5220 1 695 . 1 1 60 60 PHE HB2 H 1 3.0953 0.006 . 2 . . . . . . . . . 5220 1 696 . 1 1 60 60 PHE HB3 H 1 2.987 0.022 . 2 . . . . . . . . . 5220 1 697 . 1 1 60 60 PHE HD1 H 1 7.024 0.005 . 1 . . . . . . . . . 5220 1 698 . 1 1 60 60 PHE HD2 H 1 7.024 0.005 . 1 . . . . . . . . . 5220 1 699 . 1 1 60 60 PHE HE1 H 1 7.411 0.005 . 1 . . . . . . . . . 5220 1 700 . 1 1 60 60 PHE HE2 H 1 7.411 0.005 . 1 . . . . . . . . . 5220 1 701 . 1 1 60 60 PHE HZ H 1 7.346 0.005 . 1 . . . . . . . . . 5220 1 702 . 1 1 60 60 PHE H H 1 8.663 0.005 . 1 . . . . . . . . . 5220 1 703 . 1 1 60 60 PHE CA C 13 57.511 0.079 . 1 . . . . . . . . . 5220 1 704 . 1 1 60 60 PHE CB C 13 41.882 0.144 . 1 . . . . . . . . . 5220 1 705 . 1 1 60 60 PHE CD1 C 13 131.072 0.05 . 1 . . . . . . . . . 5220 1 706 . 1 1 60 60 PHE CD2 C 13 131.072 0.05 . 1 . . . . . . . . . 5220 1 707 . 1 1 60 60 PHE CE1 C 13 131.843 0.05 . 1 . . . . . . . . . 5220 1 708 . 1 1 60 60 PHE CE2 C 13 131.843 0.05 . 1 . . . . . . . . . 5220 1 709 . 1 1 60 60 PHE CZ C 13 130.181 0.05 . 1 . . . . . . . . . 5220 1 710 . 1 1 60 60 PHE N N 15 116.81 0.05 . 1 . . . . . . . . . 5220 1 711 . 1 1 61 61 TRP HA H 1 5.3172 0.005 . 1 . . . . . . . . . 5220 1 712 . 1 1 61 61 TRP HB2 H 1 3.2577 0.019 . 1 . . . . . . . . . 5220 1 713 . 1 1 61 61 TRP HB3 H 1 2.48 0.008 . 1 . . . . . . . . . 5220 1 714 . 1 1 61 61 TRP HD1 H 1 7.551 0.005 . 1 . . . . . . . . . 5220 1 715 . 1 1 61 61 TRP HE3 H 1 7.412 0.005 . 1 . . . . . . . . . 5220 1 716 . 1 1 61 61 TRP HH2 H 1 7.139 0.005 . 1 . . . . . . . . . 5220 1 717 . 1 1 61 61 TRP HZ2 H 1 7.551 0.005 . 1 . . . . . . . . . 5220 1 718 . 1 1 61 61 TRP HZ3 H 1 6.743 0.005 . 1 . . . . . . . . . 5220 1 719 . 1 1 61 61 TRP H H 1 8.77 0.005 . 1 . . . . . . . . . 5220 1 720 . 1 1 61 61 TRP HE1 H 1 9.733 0.005 . 1 . . . . . . . . . 5220 1 721 . 1 1 61 61 TRP CA C 13 52.361 0.05 . 1 . . . . . . . . . 5220 1 722 . 1 1 61 61 TRP CB C 13 33.854 0.05 . 1 . . . . . . . . . 5220 1 723 . 1 1 61 61 TRP CD1 C 13 124.001 0.05 . 1 . . . . . . . . . 5220 1 724 . 1 1 61 61 TRP CE3 C 13 121.086 0.05 . 1 . . . . . . . . . 5220 1 725 . 1 1 61 61 TRP CH2 C 13 124.576 0.05 . 1 . . . . . . . . . 5220 1 726 . 1 1 61 61 TRP CZ2 C 13 114.041 0.05 . 1 . . . . . . . . . 5220 1 727 . 1 1 61 61 TRP CZ3 C 13 121.112 0.05 . 1 . . . . . . . . . 5220 1 728 . 1 1 61 61 TRP N N 15 121.345 0.05 . 1 . . . . . . . . . 5220 1 729 . 1 1 61 61 TRP NE1 N 15 128.081 0.05 . 1 . . . . . . . . . 5220 1 730 . 1 1 62 62 GLY HA2 H 1 4.6655 0.007 . 2 . . . . . . . . . 5220 1 731 . 1 1 62 62 GLY HA3 H 1 3.064 0.008 . 2 . . . . . . . . . 5220 1 732 . 1 1 62 62 GLY H H 1 9.275 0.005 . 1 . . . . . . . . . 5220 1 733 . 1 1 62 62 GLY CA C 13 44.066 0.129 . 1 . . . . . . . . . 5220 1 734 . 1 1 62 62 GLY N N 15 106.879 0.05 . 1 . . . . . . . . . 5220 1 735 . 1 1 63 63 GLY HA2 H 1 5.11 0.005 . 2 . . . . . . . . . 5220 1 736 . 1 1 63 63 GLY HA3 H 1 4.712 0.005 . 2 . . . . . . . . . 5220 1 737 . 1 1 63 63 GLY H H 1 9.415 0.005 . 1 . . . . . . . . . 5220 1 738 . 1 1 63 63 GLY CA C 13 47.385 0.061 . 1 . . . . . . . . . 5220 1 739 . 1 1 63 63 GLY N N 15 111.428 0.05 . 1 . . . . . . . . . 5220 1 740 . 1 1 64 64 SER HA H 1 5.2355 0.005 . 1 . . . . . . . . . 5220 1 741 . 1 1 64 64 SER HB2 H 1 3.8335 0.005 . 2 . . . . . . . . . 5220 1 742 . 1 1 64 64 SER HB3 H 1 3.7935 0.009 . 2 . . . . . . . . . 5220 1 743 . 1 1 64 64 SER H H 1 9.075 0.005 . 1 . . . . . . . . . 5220 1 744 . 1 1 64 64 SER CA C 13 56.5825 0.05 . 1 . . . . . . . . . 5220 1 745 . 1 1 64 64 SER CB C 13 67.0075 0.05 . 1 . . . . . . . . . 5220 1 746 . 1 1 64 64 SER N N 15 112.666 0.05 . 1 . . . . . . . . . 5220 1 747 . 1 1 65 65 VAL HA H 1 4.663 0.015 . 1 . . . . . . . . . 5220 1 748 . 1 1 65 65 VAL HB H 1 2.2648 0.005 . 1 . . . . . . . . . 5220 1 749 . 1 1 65 65 VAL HG11 H 1 1.0548 0.005 . 2 . . . . . . . . . 5220 1 750 . 1 1 65 65 VAL HG12 H 1 1.0548 0.005 . 2 . . . . . . . . . 5220 1 751 . 1 1 65 65 VAL HG13 H 1 1.0548 0.005 . 2 . . . . . . . . . 5220 1 752 . 1 1 65 65 VAL HG21 H 1 1.0295 0.005 . 2 . . . . . . . . . 5220 1 753 . 1 1 65 65 VAL HG22 H 1 1.0295 0.005 . 2 . . . . . . . . . 5220 1 754 . 1 1 65 65 VAL HG23 H 1 1.0295 0.005 . 2 . . . . . . . . . 5220 1 755 . 1 1 65 65 VAL H H 1 8.968 0.005 . 1 . . . . . . . . . 5220 1 756 . 1 1 65 65 VAL CA C 13 62.047 0.094 . 1 . . . . . . . . . 5220 1 757 . 1 1 65 65 VAL CB C 13 33.0393 0.052 . 1 . . . . . . . . . 5220 1 758 . 1 1 65 65 VAL CG1 C 13 21.979 0.05 . 1 . . . . . . . . . 5220 1 759 . 1 1 65 65 VAL CG2 C 13 20.9 0.05 . 1 . . . . . . . . . 5220 1 760 . 1 1 65 65 VAL N N 15 121.027 0.05 . 1 . . . . . . . . . 5220 1 761 . 1 1 66 66 GLN HA H 1 4.4188 0.007 . 1 . . . . . . . . . 5220 1 762 . 1 1 66 66 GLN HB2 H 1 2.1942 0.009 . 2 . . . . . . . . . 5220 1 763 . 1 1 66 66 GLN HB3 H 1 1.8992 0.007 . 2 . . . . . . . . . 5220 1 764 . 1 1 66 66 GLN HG2 H 1 2.3637 0.005 . 1 . . . . . . . . . 5220 1 765 . 1 1 66 66 GLN HG3 H 1 2.3637 0.005 . 1 . . . . . . . . . 5220 1 766 . 1 1 66 66 GLN H H 1 8.777 0.005 . 1 . . . . . . . . . 5220 1 767 . 1 1 66 66 GLN HE21 H 1 7.407 0.005 . 2 . . . . . . . . . 5220 1 768 . 1 1 66 66 GLN HE22 H 1 6.872 0.006 . 2 . . . . . . . . . 5220 1 769 . 1 1 66 66 GLN CA C 13 56.631 0.072 . 1 . . . . . . . . . 5220 1 770 . 1 1 66 66 GLN CB C 13 30.0425 0.075 . 1 . . . . . . . . . 5220 1 771 . 1 1 66 66 GLN CG C 13 34.2343 0.066 . 1 . . . . . . . . . 5220 1 772 . 1 1 66 66 GLN N N 15 124.923 0.05 . 1 . . . . . . . . . 5220 1 773 . 1 1 66 66 GLN NE2 N 15 111.708 0.05 . 1 . . . . . . . . . 5220 1 774 . 1 1 67 67 GLY HA2 H 1 3.896 0.005 . 2 . . . . . . . . . 5220 1 775 . 1 1 67 67 GLY HA3 H 1 3.7935 0.005 . 2 . . . . . . . . . 5220 1 776 . 1 1 67 67 GLY H H 1 8.474 0.005 . 1 . . . . . . . . . 5220 1 777 . 1 1 67 67 GLY CA C 13 45.279 0.053 . 1 . . . . . . . . . 5220 1 778 . 1 1 67 67 GLY N N 15 111.754 0.05 . 1 . . . . . . . . . 5220 1 779 . 1 1 68 68 ASP HA H 1 4.607 0.005 . 1 . . . . . . . . . 5220 1 780 . 1 1 68 68 ASP HB2 H 1 2.634 0.005 . 1 . . . . . . . . . 5220 1 781 . 1 1 68 68 ASP HB3 H 1 2.634 0.005 . 1 . . . . . . . . . 5220 1 782 . 1 1 68 68 ASP H H 1 8.11 0.005 . 1 . . . . . . . . . 5220 1 783 . 1 1 68 68 ASP CA C 13 53.706 0.055 . 1 . . . . . . . . . 5220 1 784 . 1 1 68 68 ASP CB C 13 40.348 0.158 . 1 . . . . . . . . . 5220 1 785 . 1 1 68 68 ASP N N 15 119.506 0.05 . 1 . . . . . . . . . 5220 1 786 . 1 1 69 69 TYR HA H 1 4.489 0.005 . 1 . . . . . . . . . 5220 1 787 . 1 1 69 69 TYR HB2 H 1 2.8465 0.005 . 1 . . . . . . . . . 5220 1 788 . 1 1 69 69 TYR HB3 H 1 2.8465 0.005 . 1 . . . . . . . . . 5220 1 789 . 1 1 69 69 TYR HD1 H 1 6.865 0.005 . 1 . . . . . . . . . 5220 1 790 . 1 1 69 69 TYR HD2 H 1 6.865 0.005 . 1 . . . . . . . . . 5220 1 791 . 1 1 69 69 TYR HE1 H 1 6.687 0.005 . 1 . . . . . . . . . 5220 1 792 . 1 1 69 69 TYR HE2 H 1 6.687 0.005 . 1 . . . . . . . . . 5220 1 793 . 1 1 69 69 TYR H H 1 7.924 0.005 . 1 . . . . . . . . . 5220 1 794 . 1 1 69 69 TYR CA C 13 57.891 0.05 . 1 . . . . . . . . . 5220 1 795 . 1 1 69 69 TYR CB C 13 39.108 0.05 . 1 . . . . . . . . . 5220 1 796 . 1 1 69 69 TYR CD1 C 13 133.285 0.05 . 1 . . . . . . . . . 5220 1 797 . 1 1 69 69 TYR CD2 C 13 133.285 0.05 . 1 . . . . . . . . . 5220 1 798 . 1 1 69 69 TYR CE1 C 13 118.05 0.05 . 1 . . . . . . . . . 5220 1 799 . 1 1 69 69 TYR CE2 C 13 118.05 0.05 . 1 . . . . . . . . . 5220 1 800 . 1 1 69 69 TYR N N 15 119.865 0.05 . 1 . . . . . . . . . 5220 1 801 . 1 1 70 70 TYR HA H 1 4.3803 0.023 . 1 . . . . . . . . . 5220 1 802 . 1 1 70 70 TYR HB2 H 1 3.025 0.007 . 2 . . . . . . . . . 5220 1 803 . 1 1 70 70 TYR HB3 H 1 2.8438 0.005 . 2 . . . . . . . . . 5220 1 804 . 1 1 70 70 TYR HD1 H 1 7.02 0.005 . 1 . . . . . . . . . 5220 1 805 . 1 1 70 70 TYR HD2 H 1 7.02 0.005 . 1 . . . . . . . . . 5220 1 806 . 1 1 70 70 TYR HE1 H 1 6.782 0.005 . 1 . . . . . . . . . 5220 1 807 . 1 1 70 70 TYR HE2 H 1 6.782 0.005 . 1 . . . . . . . . . 5220 1 808 . 1 1 70 70 TYR H H 1 8.147 0.005 . 1 . . . . . . . . . 5220 1 809 . 1 1 70 70 TYR CA C 13 58.212 0.05 . 1 . . . . . . . . . 5220 1 810 . 1 1 70 70 TYR CB C 13 38.525 0.05 . 1 . . . . . . . . . 5220 1 811 . 1 1 70 70 TYR CD1 C 13 133.227 0.05 . 1 . . . . . . . . . 5220 1 812 . 1 1 70 70 TYR CD2 C 13 133.227 0.05 . 1 . . . . . . . . . 5220 1 813 . 1 1 70 70 TYR CE1 C 13 118.169 0.05 . 1 . . . . . . . . . 5220 1 814 . 1 1 70 70 TYR CE2 C 13 118.169 0.05 . 1 . . . . . . . . . 5220 1 815 . 1 1 70 70 TYR N N 15 121.196 0.05 . 1 . . . . . . . . . 5220 1 816 . 1 1 71 71 GLY HA2 H 1 3.899 0.006 . 2 . . . . . . . . . 5220 1 817 . 1 1 71 71 GLY HA3 H 1 3.704 0.005 . 2 . . . . . . . . . 5220 1 818 . 1 1 71 71 GLY H H 1 7.767 0.005 . 1 . . . . . . . . . 5220 1 819 . 1 1 71 71 GLY CA C 13 45.556 0.068 . 1 . . . . . . . . . 5220 1 820 . 1 1 71 71 GLY N N 15 109.911 0.05 . 1 . . . . . . . . . 5220 1 821 . 1 1 72 72 ASP HA H 1 4.599 0.021 . 1 . . . . . . . . . 5220 1 822 . 1 1 72 72 ASP HB2 H 1 2.7702 0.005 . 2 . . . . . . . . . 5220 1 823 . 1 1 72 72 ASP HB3 H 1 2.6375 0.005 . 2 . . . . . . . . . 5220 1 824 . 1 1 72 72 ASP H H 1 8.121 0.005 . 1 . . . . . . . . . 5220 1 825 . 1 1 72 72 ASP CA C 13 53.793 0.05 . 1 . . . . . . . . . 5220 1 826 . 1 1 72 72 ASP CB C 13 39.998 0.073 . 1 . . . . . . . . . 5220 1 827 . 1 1 72 72 ASP N N 15 119.731 0.05 . 1 . . . . . . . . . 5220 1 828 . 1 1 73 73 LEU HA H 1 4.24 0.005 . 1 . . . . . . . . . 5220 1 829 . 1 1 73 73 LEU HB2 H 1 1.6245 0.005 . 2 . . . . . . . . . 5220 1 830 . 1 1 73 73 LEU HB3 H 1 1.5397 0.007 . 2 . . . . . . . . . 5220 1 831 . 1 1 73 73 LEU HD11 H 1 0.8002 0.007 . 2 . . . . . . . . . 5220 1 832 . 1 1 73 73 LEU HD12 H 1 0.8002 0.007 . 2 . . . . . . . . . 5220 1 833 . 1 1 73 73 LEU HD13 H 1 0.8002 0.007 . 2 . . . . . . . . . 5220 1 834 . 1 1 73 73 LEU HD21 H 1 0.7524 0.005 . 2 . . . . . . . . . 5220 1 835 . 1 1 73 73 LEU HD22 H 1 0.7524 0.005 . 2 . . . . . . . . . 5220 1 836 . 1 1 73 73 LEU HD23 H 1 0.7524 0.005 . 2 . . . . . . . . . 5220 1 837 . 1 1 73 73 LEU HG H 1 1.5715 0.009 . 1 . . . . . . . . . 5220 1 838 . 1 1 73 73 LEU H H 1 8.109 0.005 . 1 . . . . . . . . . 5220 1 839 . 1 1 73 73 LEU CA C 13 55.601 0.084 . 1 . . . . . . . . . 5220 1 840 . 1 1 73 73 LEU CB C 13 42.3215 0.095 . 1 . . . . . . . . . 5220 1 841 . 1 1 73 73 LEU CD1 C 13 24.8872 0.05 . 1 . . . . . . . . . 5220 1 842 . 1 1 73 73 LEU CD2 C 13 23.609 0.05 . 1 . . . . . . . . . 5220 1 843 . 1 1 73 73 LEU CG C 13 26.9353 0.05 . 1 . . . . . . . . . 5220 1 844 . 1 1 73 73 LEU N N 15 122.216 0.05 . 1 . . . . . . . . . 5220 1 845 . 1 1 74 74 ALA HA H 1 4.1285 0.005 . 1 . . . . . . . . . 5220 1 846 . 1 1 74 74 ALA HB1 H 1 1.261 0.005 . 1 . . . . . . . . . 5220 1 847 . 1 1 74 74 ALA HB2 H 1 1.261 0.005 . 1 . . . . . . . . . 5220 1 848 . 1 1 74 74 ALA HB3 H 1 1.261 0.005 . 1 . . . . . . . . . 5220 1 849 . 1 1 74 74 ALA H H 1 8.092 0.005 . 1 . . . . . . . . . 5220 1 850 . 1 1 74 74 ALA CA C 13 52.428 0.05 . 1 . . . . . . . . . 5220 1 851 . 1 1 74 74 ALA CB C 13 19.091 0.05 . 1 . . . . . . . . . 5220 1 852 . 1 1 74 74 ALA N N 15 123.153 0.05 . 1 . . . . . . . . . 5220 1 853 . 1 1 75 75 ALA HA H 1 4.197 0.005 . 1 . . . . . . . . . 5220 1 854 . 1 1 75 75 ALA HB1 H 1 1.286 0.005 . 1 . . . . . . . . . 5220 1 855 . 1 1 75 75 ALA HB2 H 1 1.286 0.005 . 1 . . . . . . . . . 5220 1 856 . 1 1 75 75 ALA HB3 H 1 1.286 0.005 . 1 . . . . . . . . . 5220 1 857 . 1 1 75 75 ALA H H 1 7.854 0.005 . 1 . . . . . . . . . 5220 1 858 . 1 1 75 75 ALA CA C 13 52.373 0.056 . 1 . . . . . . . . . 5220 1 859 . 1 1 75 75 ALA CB C 13 19.467 0.132 . 1 . . . . . . . . . 5220 1 860 . 1 1 75 75 ALA N N 15 122.319 0.05 . 1 . . . . . . . . . 5220 1 861 . 1 1 76 76 ARG HA H 1 4.3156 0.005 . 1 . . . . . . . . . 5220 1 862 . 1 1 76 76 ARG HB2 H 1 1.8181 0.007 . 2 . . . . . . . . . 5220 1 863 . 1 1 76 76 ARG HB3 H 1 1.7475 0.007 . 2 . . . . . . . . . 5220 1 864 . 1 1 76 76 ARG HD2 H 1 3.1736 0.006 . 1 . . . . . . . . . 5220 1 865 . 1 1 76 76 ARG HD3 H 1 3.1736 0.006 . 1 . . . . . . . . . 5220 1 866 . 1 1 76 76 ARG HG2 H 1 1.5544 0.005 . 1 . . . . . . . . . 5220 1 867 . 1 1 76 76 ARG HG3 H 1 1.5544 0.005 . 1 . . . . . . . . . 5220 1 868 . 1 1 76 76 ARG H H 1 7.892 0.005 . 1 . . . . . . . . . 5220 1 869 . 1 1 76 76 ARG HE H 1 7.236 0.005 . 1 . . . . . . . . . 5220 1 870 . 1 1 76 76 ARG CA C 13 55.653 0.058 . 1 . . . . . . . . . 5220 1 871 . 1 1 76 76 ARG CB C 13 31.0903 0.149 . 1 . . . . . . . . . 5220 1 872 . 1 1 76 76 ARG CD C 13 43.4252 0.05 . 1 . . . . . . . . . 5220 1 873 . 1 1 76 76 ARG CG C 13 27.0328 0.059 . 1 . . . . . . . . . 5220 1 874 . 1 1 76 76 ARG N N 15 119.442 0.05 . 1 . . . . . . . . . 5220 1 875 . 1 1 76 76 ARG NE N 15 85.293 0.05 . 1 . . . . . . . . . 5220 1 876 . 1 1 77 77 LEU HA H 1 4.6958 0.005 . 1 . . . . . . . . . 5220 1 877 . 1 1 77 77 LEU HB2 H 1 1.3468 0.005 . 2 . . . . . . . . . 5220 1 878 . 1 1 77 77 LEU HB3 H 1 1.2858 0.005 . 2 . . . . . . . . . 5220 1 879 . 1 1 77 77 LEU HD11 H 1 0.5304 0.005 . 2 . . . . . . . . . 5220 1 880 . 1 1 77 77 LEU HD12 H 1 0.5304 0.005 . 2 . . . . . . . . . 5220 1 881 . 1 1 77 77 LEU HD13 H 1 0.5304 0.005 . 2 . . . . . . . . . 5220 1 882 . 1 1 77 77 LEU HD21 H 1 0.3181 0.006 . 2 . . . . . . . . . 5220 1 883 . 1 1 77 77 LEU HD22 H 1 0.3181 0.006 . 2 . . . . . . . . . 5220 1 884 . 1 1 77 77 LEU HD23 H 1 0.3181 0.006 . 2 . . . . . . . . . 5220 1 885 . 1 1 77 77 LEU HG H 1 1.2996 0.005 . 1 . . . . . . . . . 5220 1 886 . 1 1 77 77 LEU H H 1 8.154 0.005 . 1 . . . . . . . . . 5220 1 887 . 1 1 77 77 LEU CA C 13 54.1472 0.136 . 1 . . . . . . . . . 5220 1 888 . 1 1 77 77 LEU CB C 13 43.364 0.129 . 1 . . . . . . . . . 5220 1 889 . 1 1 77 77 LEU CD1 C 13 25.2662 0.05 . 1 . . . . . . . . . 5220 1 890 . 1 1 77 77 LEU CD2 C 13 24.0347 0.05 . 1 . . . . . . . . . 5220 1 891 . 1 1 77 77 LEU CG C 13 27.1195 0.05 . 1 . . . . . . . . . 5220 1 892 . 1 1 77 77 LEU N N 15 125.133 0.05 . 1 . . . . . . . . . 5220 1 893 . 1 1 78 78 GLY HA2 H 1 4.1985 0.005 . 2 . . . . . . . . . 5220 1 894 . 1 1 78 78 GLY HA3 H 1 3.7035 0.005 . 2 . . . . . . . . . 5220 1 895 . 1 1 78 78 GLY H H 1 8.798 0.005 . 1 . . . . . . . . . 5220 1 896 . 1 1 78 78 GLY CA C 13 44.9045 0.055 . 1 . . . . . . . . . 5220 1 897 . 1 1 78 78 GLY N N 15 109.636 0.05 . 1 . . . . . . . . . 5220 1 898 . 1 1 79 79 TYR HA H 1 5.807 0.005 . 1 . . . . . . . . . 5220 1 899 . 1 1 79 79 TYR HB2 H 1 2.6902 0.005 . 2 . . . . . . . . . 5220 1 900 . 1 1 79 79 TYR HB3 H 1 1.997 0.005 . 2 . . . . . . . . . 5220 1 901 . 1 1 79 79 TYR HD1 H 1 6.94 0.005 . 1 . . . . . . . . . 5220 1 902 . 1 1 79 79 TYR HD2 H 1 6.94 0.005 . 1 . . . . . . . . . 5220 1 903 . 1 1 79 79 TYR HE1 H 1 6.667 0.005 . 1 . . . . . . . . . 5220 1 904 . 1 1 79 79 TYR HE2 H 1 6.667 0.005 . 1 . . . . . . . . . 5220 1 905 . 1 1 79 79 TYR H H 1 8.502 0.005 . 1 . . . . . . . . . 5220 1 906 . 1 1 79 79 TYR CA C 13 58.344 0.064 . 1 . . . . . . . . . 5220 1 907 . 1 1 79 79 TYR CB C 13 41.2813 0.079 . 1 . . . . . . . . . 5220 1 908 . 1 1 79 79 TYR CD1 C 13 132.675 0.05 . 1 . . . . . . . . . 5220 1 909 . 1 1 79 79 TYR CD2 C 13 132.675 0.05 . 1 . . . . . . . . . 5220 1 910 . 1 1 79 79 TYR CE1 C 13 117.961 0.05 . 1 . . . . . . . . . 5220 1 911 . 1 1 79 79 TYR CE2 C 13 117.961 0.05 . 1 . . . . . . . . . 5220 1 912 . 1 1 79 79 TYR N N 15 117.508 0.05 . 1 . . . . . . . . . 5220 1 913 . 1 1 80 80 PHE HA H 1 5.2538 0.01 . 1 . . . . . . . . . 5220 1 914 . 1 1 80 80 PHE HB2 H 1 3.4733 0.005 . 1 . . . . . . . . . 5220 1 915 . 1 1 80 80 PHE HB3 H 1 2.5213 0.005 . 1 . . . . . . . . . 5220 1 916 . 1 1 80 80 PHE HD1 H 1 6.924 0.005 . 1 . . . . . . . . . 5220 1 917 . 1 1 80 80 PHE HD2 H 1 6.924 0.005 . 1 . . . . . . . . . 5220 1 918 . 1 1 80 80 PHE HE1 H 1 6.968 0.005 . 1 . . . . . . . . . 5220 1 919 . 1 1 80 80 PHE HE2 H 1 6.968 0.005 . 1 . . . . . . . . . 5220 1 920 . 1 1 80 80 PHE HZ H 1 7.144 0.005 . 1 . . . . . . . . . 5220 1 921 . 1 1 80 80 PHE H H 1 8.865 0.006 . 1 . . . . . . . . . 5220 1 922 . 1 1 80 80 PHE CA C 13 55.36 0.05 . 1 . . . . . . . . . 5220 1 923 . 1 1 80 80 PHE CB C 13 37.606 0.052 . 1 . . . . . . . . . 5220 1 924 . 1 1 80 80 PHE CD1 C 13 134.014 0.05 . 1 . . . . . . . . . 5220 1 925 . 1 1 80 80 PHE CD2 C 13 134.014 0.05 . 1 . . . . . . . . . 5220 1 926 . 1 1 80 80 PHE CE1 C 13 129.79 0.05 . 1 . . . . . . . . . 5220 1 927 . 1 1 80 80 PHE CE2 C 13 129.79 0.05 . 1 . . . . . . . . . 5220 1 928 . 1 1 80 80 PHE CZ C 13 128.329 0.05 . 1 . . . . . . . . . 5220 1 929 . 1 1 80 80 PHE N N 15 114.314 0.058 . 1 . . . . . . . . . 5220 1 930 . 1 1 81 81 PRO HA H 1 4.6442 0.005 . 1 . . . . . . . . . 5220 1 931 . 1 1 81 81 PRO HB2 H 1 2.064 0.005 . 2 . . . . . . . . . 5220 1 932 . 1 1 81 81 PRO HB3 H 1 1.8388 0.005 . 2 . . . . . . . . . 5220 1 933 . 1 1 81 81 PRO HD2 H 1 3.41 0.005 . 2 . . . . . . . . . 5220 1 934 . 1 1 81 81 PRO HD3 H 1 2.6956 0.005 . 2 . . . . . . . . . 5220 1 935 . 1 1 81 81 PRO HG2 H 1 1.951 0.005 . 2 . . . . . . . . . 5220 1 936 . 1 1 81 81 PRO HG3 H 1 1.8919 0.005 . 2 . . . . . . . . . 5220 1 937 . 1 1 81 81 PRO CA C 13 62.1037 0.05 . 1 . . . . . . . . . 5220 1 938 . 1 1 81 81 PRO CB C 13 31.0068 0.05 . 1 . . . . . . . . . 5220 1 939 . 1 1 81 81 PRO CD C 13 49.838 0.05 . 1 . . . . . . . . . 5220 1 940 . 1 1 81 81 PRO CG C 13 28.4938 0.05 . 1 . . . . . . . . . 5220 1 941 . 1 1 82 82 SER HA H 1 2.88 0.005 . 1 . . . . . . . . . 5220 1 942 . 1 1 82 82 SER HB2 H 1 1.3953 0.005 . 2 . . . . . . . . . 5220 1 943 . 1 1 82 82 SER HB3 H 1 1.79 0.016 . 2 . . . . . . . . . 5220 1 944 . 1 1 82 82 SER H H 1 8.66 0.005 . 1 . . . . . . . . . 5220 1 945 . 1 1 82 82 SER CA C 13 60.709 0.079 . 1 . . . . . . . . . 5220 1 946 . 1 1 82 82 SER CB C 13 59.965 0.138 . 1 . . . . . . . . . 5220 1 947 . 1 1 82 82 SER N N 15 122.616 0.05 . 1 . . . . . . . . . 5220 1 948 . 1 1 83 83 SER HA H 1 4.0345 0.005 . 1 . . . . . . . . . 5220 1 949 . 1 1 83 83 SER HB2 H 1 3.7117 0.005 . 2 . . . . . . . . . 5220 1 950 . 1 1 83 83 SER HB3 H 1 3.8847 0.005 . 2 . . . . . . . . . 5220 1 951 . 1 1 83 83 SER H H 1 7.669 0.005 . 1 . . . . . . . . . 5220 1 952 . 1 1 83 83 SER CA C 13 59.707 0.084 . 1 . . . . . . . . . 5220 1 953 . 1 1 83 83 SER CB C 13 62.8013 0.078 . 1 . . . . . . . . . 5220 1 954 . 1 1 83 83 SER N N 15 113.242 0.05 . 1 . . . . . . . . . 5220 1 955 . 1 1 84 84 ILE HA H 1 4.3373 0.009 . 1 . . . . . . . . . 5220 1 956 . 1 1 84 84 ILE HB H 1 2.136 0.01 . 1 . . . . . . . . . 5220 1 957 . 1 1 84 84 ILE HD11 H 1 0.6701 0.007 . 1 . . . . . . . . . 5220 1 958 . 1 1 84 84 ILE HD12 H 1 0.6701 0.007 . 1 . . . . . . . . . 5220 1 959 . 1 1 84 84 ILE HD13 H 1 0.6701 0.007 . 1 . . . . . . . . . 5220 1 960 . 1 1 84 84 ILE HG12 H 1 1.6301 0.005 . 2 . . . . . . . . . 5220 1 961 . 1 1 84 84 ILE HG13 H 1 1.1961 0.01 . 2 . . . . . . . . . 5220 1 962 . 1 1 84 84 ILE HG21 H 1 0.7948 0.005 . 1 . . . . . . . . . 5220 1 963 . 1 1 84 84 ILE HG22 H 1 0.7948 0.005 . 1 . . . . . . . . . 5220 1 964 . 1 1 84 84 ILE HG23 H 1 0.7948 0.005 . 1 . . . . . . . . . 5220 1 965 . 1 1 84 84 ILE H H 1 7.262 0.005 . 1 . . . . . . . . . 5220 1 966 . 1 1 84 84 ILE CA C 13 61.266 0.083 . 1 . . . . . . . . . 5220 1 967 . 1 1 84 84 ILE CB C 13 38.093 0.075 . 1 . . . . . . . . . 5220 1 968 . 1 1 84 84 ILE CD1 C 13 14.57 0.05 . 1 . . . . . . . . . 5220 1 969 . 1 1 84 84 ILE CG1 C 13 26.7327 0.05 . 1 . . . . . . . . . 5220 1 970 . 1 1 84 84 ILE CG2 C 13 18.0612 0.05 . 1 . . . . . . . . . 5220 1 971 . 1 1 84 84 ILE N N 15 114.509 0.05 . 1 . . . . . . . . . 5220 1 972 . 1 1 85 85 VAL HA H 1 5.3405 0.007 . 1 . . . . . . . . . 5220 1 973 . 1 1 85 85 VAL HB H 1 1.8162 0.008 . 1 . . . . . . . . . 5220 1 974 . 1 1 85 85 VAL HG11 H 1 0.5048 0.005 . 1 . . . . . . . . . 5220 1 975 . 1 1 85 85 VAL HG12 H 1 0.5048 0.005 . 1 . . . . . . . . . 5220 1 976 . 1 1 85 85 VAL HG13 H 1 0.5048 0.005 . 1 . . . . . . . . . 5220 1 977 . 1 1 85 85 VAL HG21 H 1 0.8495 0.005 . 1 . . . . . . . . . 5220 1 978 . 1 1 85 85 VAL HG22 H 1 0.8495 0.005 . 1 . . . . . . . . . 5220 1 979 . 1 1 85 85 VAL HG23 H 1 0.8495 0.005 . 1 . . . . . . . . . 5220 1 980 . 1 1 85 85 VAL H H 1 7.516 0.005 . 1 . . . . . . . . . 5220 1 981 . 1 1 85 85 VAL CA C 13 57.999 0.05 . 1 . . . . . . . . . 5220 1 982 . 1 1 85 85 VAL CB C 13 35.702 0.086 . 1 . . . . . . . . . 5220 1 983 . 1 1 85 85 VAL CG1 C 13 20.955 0.05 . 1 . . . . . . . . . 5220 1 984 . 1 1 85 85 VAL CG2 C 13 19.268 0.06 . 1 . . . . . . . . . 5220 1 985 . 1 1 85 85 VAL N N 15 110.703 0.05 . 1 . . . . . . . . . 5220 1 986 . 1 1 86 86 ARG HA H 1 4.7503 0.005 . 1 . . . . . . . . . 5220 1 987 . 1 1 86 86 ARG HB2 H 1 1.8284 0.012 . 2 . . . . . . . . . 5220 1 988 . 1 1 86 86 ARG HB3 H 1 1.6337 0.005 . 2 . . . . . . . . . 5220 1 989 . 1 1 86 86 ARG HD2 H 1 3.2685 0.005 . 2 . . . . . . . . . 5220 1 990 . 1 1 86 86 ARG HD3 H 1 3.171 0.005 . 2 . . . . . . . . . 5220 1 991 . 1 1 86 86 ARG HG2 H 1 1.6756 0.006 . 2 . . . . . . . . . 5220 1 992 . 1 1 86 86 ARG HG3 H 1 1.3968 0.006 . 2 . . . . . . . . . 5220 1 993 . 1 1 86 86 ARG H H 1 8.598 0.005 . 1 . . . . . . . . . 5220 1 994 . 1 1 86 86 ARG HE H 1 7.876 0.005 . 1 . . . . . . . . . 5220 1 995 . 1 1 86 86 ARG CA C 13 54.0408 0.05 . 1 . . . . . . . . . 5220 1 996 . 1 1 86 86 ARG CB C 13 33.1736 0.21 . 1 . . . . . . . . . 5220 1 997 . 1 1 86 86 ARG CD C 13 43.3607 0.108 . 1 . . . . . . . . . 5220 1 998 . 1 1 86 86 ARG CG C 13 27.1381 0.05 . 1 . . . . . . . . . 5220 1 999 . 1 1 86 86 ARG N N 15 119.92 0.05 . 1 . . . . . . . . . 5220 1 1000 . 1 1 86 86 ARG NE N 15 85.046 0.05 . 1 . . . . . . . . . 5220 1 1001 . 1 1 87 87 GLU HA H 1 4.2294 0.006 . 1 . . . . . . . . . 5220 1 1002 . 1 1 87 87 GLU HB2 H 1 2.1385 0.007 . 2 . . . . . . . . . 5220 1 1003 . 1 1 87 87 GLU HB3 H 1 2.072 0.006 . 2 . . . . . . . . . 5220 1 1004 . 1 1 87 87 GLU HG2 H 1 2.4982 0.005 . 2 . . . . . . . . . 5220 1 1005 . 1 1 87 87 GLU HG3 H 1 2.171 0.012 . 2 . . . . . . . . . 5220 1 1006 . 1 1 87 87 GLU H H 1 9.362 0.005 . 1 . . . . . . . . . 5220 1 1007 . 1 1 87 87 GLU CA C 13 58.032 0.05 . 1 . . . . . . . . . 5220 1 1008 . 1 1 87 87 GLU CB C 13 30.99 0.05 . 1 . . . . . . . . . 5220 1 1009 . 1 1 87 87 GLU CG C 13 37.9635 0.067 . 1 . . . . . . . . . 5220 1 1010 . 1 1 87 87 GLU N N 15 127.392 0.05 . 1 . . . . . . . . . 5220 1 1011 . 1 1 88 88 ASP HA H 1 4.9502 0.005 . 1 . . . . . . . . . 5220 1 1012 . 1 1 88 88 ASP HB2 H 1 2.6812 0.014 . 2 . . . . . . . . . 5220 1 1013 . 1 1 88 88 ASP HB3 H 1 2.589 0.006 . 2 . . . . . . . . . 5220 1 1014 . 1 1 88 88 ASP H H 1 9.044 0.005 . 1 . . . . . . . . . 5220 1 1015 . 1 1 88 88 ASP CA C 13 54.341 0.073 . 1 . . . . . . . . . 5220 1 1016 . 1 1 88 88 ASP CB C 13 42.2025 0.096 . 1 . . . . . . . . . 5220 1 1017 . 1 1 88 88 ASP N N 15 126.214 0.05 . 1 . . . . . . . . . 5220 1 1018 . 1 1 89 89 GLN HA H 1 4.5357 0.005 . 1 . . . . . . . . . 5220 1 1019 . 1 1 89 89 GLN HB2 H 1 1.9227 0.008 . 1 . . . . . . . . . 5220 1 1020 . 1 1 89 89 GLN HB3 H 1 1.9227 0.008 . 1 . . . . . . . . . 5220 1 1021 . 1 1 89 89 GLN HG2 H 1 2.2555 0.005 . 2 . . . . . . . . . 5220 1 1022 . 1 1 89 89 GLN HG3 H 1 2.1705 0.005 . 2 . . . . . . . . . 5220 1 1023 . 1 1 89 89 GLN H H 1 7.658 0.005 . 1 . . . . . . . . . 5220 1 1024 . 1 1 89 89 GLN HE21 H 1 7.412 0.005 . 2 . . . . . . . . . 5220 1 1025 . 1 1 89 89 GLN HE22 H 1 6.751 0.005 . 2 . . . . . . . . . 5220 1 1026 . 1 1 89 89 GLN CA C 13 55.614 0.078 . 1 . . . . . . . . . 5220 1 1027 . 1 1 89 89 GLN CB C 13 31.789 0.147 . 1 . . . . . . . . . 5220 1 1028 . 1 1 89 89 GLN CG C 13 33.3885 0.16 . 1 . . . . . . . . . 5220 1 1029 . 1 1 89 89 GLN N N 15 117.594 0.05 . 1 . . . . . . . . . 5220 1 1030 . 1 1 89 89 GLN NE2 N 15 111.1945 0.05 . 1 . . . . . . . . . 5220 1 1031 . 1 1 90 90 THR HA H 1 4.0365 0.005 . 1 . . . . . . . . . 5220 1 1032 . 1 1 90 90 THR HB H 1 4.013 0.005 . 1 . . . . . . . . . 5220 1 1033 . 1 1 90 90 THR HG21 H 1 1.034 0.005 . 1 . . . . . . . . . 5220 1 1034 . 1 1 90 90 THR HG22 H 1 1.034 0.005 . 1 . . . . . . . . . 5220 1 1035 . 1 1 90 90 THR HG23 H 1 1.034 0.005 . 1 . . . . . . . . . 5220 1 1036 . 1 1 90 90 THR H H 1 9.006 0.005 . 1 . . . . . . . . . 5220 1 1037 . 1 1 90 90 THR CA C 13 63.397 0.082 . 1 . . . . . . . . . 5220 1 1038 . 1 1 90 90 THR CB C 13 68.863 0.051 . 1 . . . . . . . . . 5220 1 1039 . 1 1 90 90 THR CG2 C 13 21.34 0.05 . 1 . . . . . . . . . 5220 1 1040 . 1 1 90 90 THR N N 15 122.901 0.05 . 1 . . . . . . . . . 5220 1 1041 . 1 1 91 91 LEU HA H 1 4.3756 0.008 . 1 . . . . . . . . . 5220 1 1042 . 1 1 91 91 LEU HB2 H 1 1.5147 0.005 . 2 . . . . . . . . . 5220 1 1043 . 1 1 91 91 LEU HB3 H 1 1.456 0.005 . 2 . . . . . . . . . 5220 1 1044 . 1 1 91 91 LEU HD11 H 1 0.7891 0.007 . 2 . . . . . . . . . 5220 1 1045 . 1 1 91 91 LEU HD12 H 1 0.7891 0.007 . 2 . . . . . . . . . 5220 1 1046 . 1 1 91 91 LEU HD13 H 1 0.7891 0.007 . 2 . . . . . . . . . 5220 1 1047 . 1 1 91 91 LEU HD21 H 1 0.7705 0.005 . 2 . . . . . . . . . 5220 1 1048 . 1 1 91 91 LEU HD22 H 1 0.7705 0.005 . 2 . . . . . . . . . 5220 1 1049 . 1 1 91 91 LEU HD23 H 1 0.7705 0.005 . 2 . . . . . . . . . 5220 1 1050 . 1 1 91 91 LEU HG H 1 1.4503 0.005 . 1 . . . . . . . . . 5220 1 1051 . 1 1 91 91 LEU H H 1 9.059 0.005 . 1 . . . . . . . . . 5220 1 1052 . 1 1 91 91 LEU CA C 13 56.069 0.066 . 1 . . . . . . . . . 5220 1 1053 . 1 1 91 91 LEU CB C 13 41.942 0.066 . 1 . . . . . . . . . 5220 1 1054 . 1 1 91 91 LEU CD1 C 13 22.695 0.05 . 1 . . . . . . . . . 5220 1 1055 . 1 1 91 91 LEU CD2 C 13 25.396 0.05 . 1 . . . . . . . . . 5220 1 1056 . 1 1 91 91 LEU CG C 13 27.5237 0.05 . 1 . . . . . . . . . 5220 1 1057 . 1 1 91 91 LEU N N 15 129.614 0.05 . 1 . . . . . . . . . 5220 1 1058 . 1 1 92 92 LYS HA H 1 4.6236 0.012 . 1 . . . . . . . . . 5220 1 1059 . 1 1 92 92 LYS HB2 H 1 1.8118 0.005 . 2 . . . . . . . . . 5220 1 1060 . 1 1 92 92 LYS HB3 H 1 1.5872 0.005 . 2 . . . . . . . . . 5220 1 1061 . 1 1 92 92 LYS HD2 H 1 1.5876 0.005 . 2 . . . . . . . . . 5220 1 1062 . 1 1 92 92 LYS HD3 H 1 1.4798 0.013 . 2 . . . . . . . . . 5220 1 1063 . 1 1 92 92 LYS HE2 H 1 2.854 0.005 . 1 . . . . . . . . . 5220 1 1064 . 1 1 92 92 LYS HE3 H 1 2.854 0.005 . 1 . . . . . . . . . 5220 1 1065 . 1 1 92 92 LYS HG2 H 1 1.3495 0.01 . 1 . . . . . . . . . 5220 1 1066 . 1 1 92 92 LYS HG3 H 1 1.3495 0.01 . 1 . . . . . . . . . 5220 1 1067 . 1 1 92 92 LYS H H 1 8.174 0.005 . 1 . . . . . . . . . 5220 1 1068 . 1 1 92 92 LYS CA C 13 53.6368 0.077 . 1 . . . . . . . . . 5220 1 1069 . 1 1 92 92 LYS CB C 13 35.6795 0.065 . 1 . . . . . . . . . 5220 1 1070 . 1 1 92 92 LYS CD C 13 29.0439 0.05 . 1 . . . . . . . . . 5220 1 1071 . 1 1 92 92 LYS CE C 13 42.0783 0.05 . 1 . . . . . . . . . 5220 1 1072 . 1 1 92 92 LYS CG C 13 25.0518 0.05 . 1 . . . . . . . . . 5220 1 1073 . 1 1 92 92 LYS N N 15 121.511 0.05 . 1 . . . . . . . . . 5220 1 1074 . 1 1 93 93 PRO HA H 1 4.1683 0.006 . 1 . . . . . . . . . 5220 1 1075 . 1 1 93 93 PRO HB2 H 1 2.2414 0.013 . 2 . . . . . . . . . 5220 1 1076 . 1 1 93 93 PRO HB3 H 1 1.7217 0.007 . 2 . . . . . . . . . 5220 1 1077 . 1 1 93 93 PRO HD2 H 1 3.6983 0.007 . 2 . . . . . . . . . 5220 1 1078 . 1 1 93 93 PRO HD3 H 1 3.584 0.017 . 2 . . . . . . . . . 5220 1 1079 . 1 1 93 93 PRO HG2 H 1 2.0363 0.008 . 2 . . . . . . . . . 5220 1 1080 . 1 1 93 93 PRO HG3 H 1 1.9409 0.012 . 2 . . . . . . . . . 5220 1 1081 . 1 1 93 93 PRO CA C 13 63.076 0.063 . 1 . . . . . . . . . 5220 1 1082 . 1 1 93 93 PRO CB C 13 32.2768 0.083 . 1 . . . . . . . . . 5220 1 1083 . 1 1 93 93 PRO CD C 13 50.2392 0.05 . 1 . . . . . . . . . 5220 1 1084 . 1 1 93 93 PRO CG C 13 27.6303 0.05 . 1 . . . . . . . . . 5220 1 1085 . 1 1 94 94 GLY HA2 H 1 3.797 0.005 . 2 . . . . . . . . . 5220 1 1086 . 1 1 94 94 GLY HA3 H 1 3.0605 0.005 . 2 . . . . . . . . . 5220 1 1087 . 1 1 94 94 GLY H H 1 8.497 0.005 . 1 . . . . . . . . . 5220 1 1088 . 1 1 94 94 GLY CA C 13 46.685 0.13 . 1 . . . . . . . . . 5220 1 1089 . 1 1 94 94 GLY N N 15 109.9 0.05 . 1 . . . . . . . . . 5220 1 1090 . 1 1 95 95 LYS HA H 1 4.5367 0.005 . 1 . . . . . . . . . 5220 1 1091 . 1 1 95 95 LYS HB2 H 1 1.8403 0.016 . 2 . . . . . . . . . 5220 1 1092 . 1 1 95 95 LYS HB3 H 1 1.7139 0.006 . 2 . . . . . . . . . 5220 1 1093 . 1 1 95 95 LYS HD2 H 1 1.637 0.007 . 1 . . . . . . . . . 5220 1 1094 . 1 1 95 95 LYS HD3 H 1 1.637 0.007 . 1 . . . . . . . . . 5220 1 1095 . 1 1 95 95 LYS HE2 H 1 2.9418 0.006 . 1 . . . . . . . . . 5220 1 1096 . 1 1 95 95 LYS HE3 H 1 2.9418 0.006 . 1 . . . . . . . . . 5220 1 1097 . 1 1 95 95 LYS HG2 H 1 1.2642 0.005 . 1 . . . . . . . . . 5220 1 1098 . 1 1 95 95 LYS HG3 H 1 1.2642 0.005 . 1 . . . . . . . . . 5220 1 1099 . 1 1 95 95 LYS H H 1 7.504 0.005 . 1 . . . . . . . . . 5220 1 1100 . 1 1 95 95 LYS CA C 13 55.613 0.05 . 1 . . . . . . . . . 5220 1 1101 . 1 1 95 95 LYS CB C 13 34.8242 0.129 . 1 . . . . . . . . . 5220 1 1102 . 1 1 95 95 LYS CD C 13 29.097 0.05 . 1 . . . . . . . . . 5220 1 1103 . 1 1 95 95 LYS CE C 13 41.9862 0.054 . 1 . . . . . . . . . 5220 1 1104 . 1 1 95 95 LYS CG C 13 24.4226 0.056 . 1 . . . . . . . . . 5220 1 1105 . 1 1 95 95 LYS N N 15 120.536 0.05 . 1 . . . . . . . . . 5220 1 1106 . 1 1 96 96 VAL HA H 1 4.0222 0.009 . 1 . . . . . . . . . 5220 1 1107 . 1 1 96 96 VAL HB H 1 1.6142 0.005 . 1 . . . . . . . . . 5220 1 1108 . 1 1 96 96 VAL HG11 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1109 . 1 1 96 96 VAL HG12 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1110 . 1 1 96 96 VAL HG13 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1111 . 1 1 96 96 VAL HG21 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1112 . 1 1 96 96 VAL HG22 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1113 . 1 1 96 96 VAL HG23 H 1 0.7073 0.005 . 1 . . . . . . . . . 5220 1 1114 . 1 1 96 96 VAL H H 1 8.544 0.005 . 1 . . . . . . . . . 5220 1 1115 . 1 1 96 96 VAL CA C 13 62.816 0.074 . 1 . . . . . . . . . 5220 1 1116 . 1 1 96 96 VAL CB C 13 32.063 0.066 . 1 . . . . . . . . . 5220 1 1117 . 1 1 96 96 VAL CG1 C 13 21.657 0.05 . 1 . . . . . . . . . 5220 1 1118 . 1 1 96 96 VAL CG2 C 13 21.657 0.05 . 1 . . . . . . . . . 5220 1 1119 . 1 1 96 96 VAL N N 15 122.925 0.05 . 1 . . . . . . . . . 5220 1 1120 . 1 1 97 97 ASP HA H 1 5.0725 0.009 . 1 . . . . . . . . . 5220 1 1121 . 1 1 97 97 ASP HB2 H 1 2.794 0.008 . 1 . . . . . . . . . 5220 1 1122 . 1 1 97 97 ASP HB3 H 1 2.3685 0.006 . 1 . . . . . . . . . 5220 1 1123 . 1 1 97 97 ASP H H 1 8.368 0.005 . 1 . . . . . . . . . 5220 1 1124 . 1 1 97 97 ASP CA C 13 53.506 0.05 . 1 . . . . . . . . . 5220 1 1125 . 1 1 97 97 ASP CB C 13 42.198 0.101 . 1 . . . . . . . . . 5220 1 1126 . 1 1 97 97 ASP N N 15 128.939 0.05 . 1 . . . . . . . . . 5220 1 1127 . 1 1 98 98 VAL HA H 1 4.4313 0.005 . 1 . . . . . . . . . 5220 1 1128 . 1 1 98 98 VAL HB H 1 1.9093 0.005 . 1 . . . . . . . . . 5220 1 1129 . 1 1 98 98 VAL HG11 H 1 1.0605 0.005 . 2 . . . . . . . . . 5220 1 1130 . 1 1 98 98 VAL HG12 H 1 1.0605 0.005 . 2 . . . . . . . . . 5220 1 1131 . 1 1 98 98 VAL HG13 H 1 1.0605 0.005 . 2 . . . . . . . . . 5220 1 1132 . 1 1 98 98 VAL HG21 H 1 0.9062 0.007 . 2 . . . . . . . . . 5220 1 1133 . 1 1 98 98 VAL HG22 H 1 0.9062 0.007 . 2 . . . . . . . . . 5220 1 1134 . 1 1 98 98 VAL HG23 H 1 0.9062 0.007 . 2 . . . . . . . . . 5220 1 1135 . 1 1 98 98 VAL H H 1 9.293 0.005 . 1 . . . . . . . . . 5220 1 1136 . 1 1 98 98 VAL CA C 13 60.504 0.05 . 1 . . . . . . . . . 5220 1 1137 . 1 1 98 98 VAL CB C 13 35.987 0.129 . 1 . . . . . . . . . 5220 1 1138 . 1 1 98 98 VAL CG1 C 13 22.039 0.05 . 1 . . . . . . . . . 5220 1 1139 . 1 1 98 98 VAL CG2 C 13 21.181 0.05 . 1 . . . . . . . . . 5220 1 1140 . 1 1 98 98 VAL N N 15 125.857 0.05 . 1 . . . . . . . . . 5220 1 1141 . 1 1 99 99 LYS HA H 1 4.5972 0.005 . 1 . . . . . . . . . 5220 1 1142 . 1 1 99 99 LYS HB2 H 1 1.9477 0.013 . 2 . . . . . . . . . 5220 1 1143 . 1 1 99 99 LYS HB3 H 1 1.8361 0.006 . 2 . . . . . . . . . 5220 1 1144 . 1 1 99 99 LYS HD2 H 1 1.7726 0.005 . 1 . . . . . . . . . 5220 1 1145 . 1 1 99 99 LYS HD3 H 1 1.7726 0.005 . 1 . . . . . . . . . 5220 1 1146 . 1 1 99 99 LYS HE2 H 1 3.0711 0.008 . 1 . . . . . . . . . 5220 1 1147 . 1 1 99 99 LYS HE3 H 1 3.0711 0.008 . 1 . . . . . . . . . 5220 1 1148 . 1 1 99 99 LYS HG2 H 1 1.6128 0.005 . 1 . . . . . . . . . 5220 1 1149 . 1 1 99 99 LYS HG3 H 1 1.6128 0.005 . 1 . . . . . . . . . 5220 1 1150 . 1 1 99 99 LYS H H 1 8.515 0.005 . 1 . . . . . . . . . 5220 1 1151 . 1 1 99 99 LYS CA C 13 57.192 0.05 . 1 . . . . . . . . . 5220 1 1152 . 1 1 99 99 LYS CB C 13 33.1286 0.084 . 1 . . . . . . . . . 5220 1 1153 . 1 1 99 99 LYS CD C 13 29.459 0.05 . 1 . . . . . . . . . 5220 1 1154 . 1 1 99 99 LYS CE C 13 42.096 0.05 . 1 . . . . . . . . . 5220 1 1155 . 1 1 99 99 LYS CG C 13 25.2952 0.05 . 1 . . . . . . . . . 5220 1 1156 . 1 1 99 99 LYS N N 15 124.171 0.05 . 1 . . . . . . . . . 5220 1 1157 . 1 1 100 100 THR HA H 1 4.499 0.011 . 1 . . . . . . . . . 5220 1 1158 . 1 1 100 100 THR HB H 1 4.617 0.005 . 1 . . . . . . . . . 5220 1 1159 . 1 1 100 100 THR HG21 H 1 0.958 0.009 . 1 . . . . . . . . . 5220 1 1160 . 1 1 100 100 THR HG22 H 1 0.958 0.009 . 1 . . . . . . . . . 5220 1 1161 . 1 1 100 100 THR HG23 H 1 0.958 0.009 . 1 . . . . . . . . . 5220 1 1162 . 1 1 100 100 THR H H 1 7.861 0.005 . 1 . . . . . . . . . 5220 1 1163 . 1 1 100 100 THR CA C 13 60.26 0.05 . 1 . . . . . . . . . 5220 1 1164 . 1 1 100 100 THR CB C 13 70.631 0.05 . 1 . . . . . . . . . 5220 1 1165 . 1 1 100 100 THR CG2 C 13 21.926 0.05 . 1 . . . . . . . . . 5220 1 1166 . 1 1 100 100 THR N N 15 112.603 0.05 . 1 . . . . . . . . . 5220 1 1167 . 1 1 101 101 ASP HA H 1 4.953 0.006 . 1 . . . . . . . . . 5220 1 1168 . 1 1 101 101 ASP HB2 H 1 2.9905 0.005 . 2 . . . . . . . . . 5220 1 1169 . 1 1 101 101 ASP HB3 H 1 2.6305 0.01 . 2 . . . . . . . . . 5220 1 1170 . 1 1 101 101 ASP H H 1 9.124 0.005 . 1 . . . . . . . . . 5220 1 1171 . 1 1 101 101 ASP CA C 13 52.0395 0.068 . 1 . . . . . . . . . 5220 1 1172 . 1 1 101 101 ASP CB C 13 43.211 0.146 . 1 . . . . . . . . . 5220 1 1173 . 1 1 101 101 ASP N N 15 121.535 0.05 . 1 . . . . . . . . . 5220 1 1174 . 1 1 102 102 LYS HA H 1 4.0067 0.014 . 1 . . . . . . . . . 5220 1 1175 . 1 1 102 102 LYS HB2 H 1 1.6015 0.019 . 2 . . . . . . . . . 5220 1 1176 . 1 1 102 102 LYS HB3 H 1 1.3617 0.013 . 2 . . . . . . . . . 5220 1 1177 . 1 1 102 102 LYS HD2 H 1 1.2472 0.005 . 1 . . . . . . . . . 5220 1 1178 . 1 1 102 102 LYS HD3 H 1 1.2472 0.005 . 1 . . . . . . . . . 5220 1 1179 . 1 1 102 102 LYS HE2 H 1 2.3422 0.005 . 1 . . . . . . . . . 5220 1 1180 . 1 1 102 102 LYS HE3 H 1 2.3422 0.005 . 1 . . . . . . . . . 5220 1 1181 . 1 1 102 102 LYS HG2 H 1 0.6932 0.015 . 2 . . . . . . . . . 5220 1 1182 . 1 1 102 102 LYS HG3 H 1 0.3579 0.007 . 2 . . . . . . . . . 5220 1 1183 . 1 1 102 102 LYS H H 1 8.493 0.005 . 1 . . . . . . . . . 5220 1 1184 . 1 1 102 102 LYS CA C 13 58.899 0.05 . 1 . . . . . . . . . 5220 1 1185 . 1 1 102 102 LYS CB C 13 31.8853 0.18 . 1 . . . . . . . . . 5220 1 1186 . 1 1 102 102 LYS CD C 13 29.4437 0.082 . 1 . . . . . . . . . 5220 1 1187 . 1 1 102 102 LYS CE C 13 41.5558 0.05 . 1 . . . . . . . . . 5220 1 1188 . 1 1 102 102 LYS CG C 13 23.258 0.05 . 1 . . . . . . . . . 5220 1 1189 . 1 1 102 102 LYS N N 15 118.091 0.05 . 1 . . . . . . . . . 5220 1 1190 . 1 1 103 103 TRP HA H 1 4.3587 0.005 . 1 . . . . . . . . . 5220 1 1191 . 1 1 103 103 TRP HB2 H 1 3.0875 0.005 . 2 . . . . . . . . . 5220 1 1192 . 1 1 103 103 TRP HB3 H 1 3.2755 0.005 . 2 . . . . . . . . . 5220 1 1193 . 1 1 103 103 TRP HD1 H 1 7.11 0.005 . 1 . . . . . . . . . 5220 1 1194 . 1 1 103 103 TRP HE3 H 1 7.066 0.005 . 1 . . . . . . . . . 5220 1 1195 . 1 1 103 103 TRP HH2 H 1 6.99 0.005 . 1 . . . . . . . . . 5220 1 1196 . 1 1 103 103 TRP HZ2 H 1 7.351 0.005 . 1 . . . . . . . . . 5220 1 1197 . 1 1 103 103 TRP HZ3 H 1 6.293 0.005 . 1 . . . . . . . . . 5220 1 1198 . 1 1 103 103 TRP H H 1 7.443 0.005 . 1 . . . . . . . . . 5220 1 1199 . 1 1 103 103 TRP HE1 H 1 10.012 0.005 . 1 . . . . . . . . . 5220 1 1200 . 1 1 103 103 TRP CA C 13 57.513 0.05 . 1 . . . . . . . . . 5220 1 1201 . 1 1 103 103 TRP CB C 13 28.4425 0.129 . 1 . . . . . . . . . 5220 1 1202 . 1 1 103 103 TRP CD1 C 13 127.536 0.05 . 1 . . . . . . . . . 5220 1 1203 . 1 1 103 103 TRP CE3 C 13 120.301 0.05 . 1 . . . . . . . . . 5220 1 1204 . 1 1 103 103 TRP CH2 C 13 124.352 0.05 . 1 . . . . . . . . . 5220 1 1205 . 1 1 103 103 TRP CZ2 C 13 114.461 0.05 . 1 . . . . . . . . . 5220 1 1206 . 1 1 103 103 TRP CZ3 C 13 121.856 0.05 . 1 . . . . . . . . . 5220 1 1207 . 1 1 103 103 TRP N N 15 118.517 0.05 . 1 . . . . . . . . . 5220 1 1208 . 1 1 103 103 TRP NE1 N 15 128.654 0.05 . 1 . . . . . . . . . 5220 1 1209 . 1 1 104 104 ASP HA H 1 4.3 0.006 . 1 . . . . . . . . . 5220 1 1210 . 1 1 104 104 ASP HB2 H 1 1.6005 0.005 . 1 . . . . . . . . . 5220 1 1211 . 1 1 104 104 ASP HB3 H 1 2.443 0.005 . 1 . . . . . . . . . 5220 1 1212 . 1 1 104 104 ASP H H 1 7.656 0.005 . 1 . . . . . . . . . 5220 1 1213 . 1 1 104 104 ASP CA C 13 56.8945 0.05 . 1 . . . . . . . . . 5220 1 1214 . 1 1 104 104 ASP CB C 13 41.4342 0.076 . 1 . . . . . . . . . 5220 1 1215 . 1 1 104 104 ASP N N 15 118.118 0.05 . 1 . . . . . . . . . 5220 1 1216 . 1 1 105 105 PHE HA H 1 4.96 0.005 . 1 . . . . . . . . . 5220 1 1217 . 1 1 105 105 PHE HB2 H 1 2.922 0.005 . 2 . . . . . . . . . 5220 1 1218 . 1 1 105 105 PHE HB3 H 1 2.722 0.005 . 2 . . . . . . . . . 5220 1 1219 . 1 1 105 105 PHE HD1 H 1 7.072 0.005 . 1 . . . . . . . . . 5220 1 1220 . 1 1 105 105 PHE HD2 H 1 7.072 0.005 . 1 . . . . . . . . . 5220 1 1221 . 1 1 105 105 PHE HE1 H 1 6.91 0.05 . 1 . . . . . . . . . 5220 1 1222 . 1 1 105 105 PHE HE2 H 1 6.91 0.05 . 1 . . . . . . . . . 5220 1 1223 . 1 1 105 105 PHE H H 1 7.506 0.008 . 1 . . . . . . . . . 5220 1 1224 . 1 1 105 105 PHE CA C 13 55.715 0.05 . 1 . . . . . . . . . 5220 1 1225 . 1 1 105 105 PHE CB C 13 39.935 0.155 . 1 . . . . . . . . . 5220 1 1226 . 1 1 105 105 PHE CD1 C 13 133.776 0.05 . 1 . . . . . . . . . 5220 1 1227 . 1 1 105 105 PHE CD2 C 13 133.776 0.05 . 1 . . . . . . . . . 5220 1 1228 . 1 1 105 105 PHE CE1 C 13 127.888 0.5 . 1 . . . . . . . . . 5220 1 1229 . 1 1 105 105 PHE CE2 C 13 127.888 0.5 . 1 . . . . . . . . . 5220 1 1230 . 1 1 105 105 PHE N N 15 116.261 0.05 . 1 . . . . . . . . . 5220 1 1231 . 1 1 106 106 TYR HA H 1 4.504 0.005 . 1 . . . . . . . . . 5220 1 1232 . 1 1 106 106 TYR HB2 H 1 3.0755 0.01 . 1 . . . . . . . . . 5220 1 1233 . 1 1 106 106 TYR HB3 H 1 2.9955 0.012 . 1 . . . . . . . . . 5220 1 1234 . 1 1 106 106 TYR HD1 H 1 6.793 0.005 . 1 . . . . . . . . . 5220 1 1235 . 1 1 106 106 TYR HD2 H 1 6.793 0.005 . 1 . . . . . . . . . 5220 1 1236 . 1 1 106 106 TYR HE1 H 1 6.687 0.005 . 1 . . . . . . . . . 5220 1 1237 . 1 1 106 106 TYR HE2 H 1 6.687 0.005 . 1 . . . . . . . . . 5220 1 1238 . 1 1 106 106 TYR H H 1 7.58 0.005 . 1 . . . . . . . . . 5220 1 1239 . 1 1 106 106 TYR CA C 13 57.58 0.05 . 1 . . . . . . . . . 5220 1 1240 . 1 1 106 106 TYR CB C 13 40.8095 0.059 . 1 . . . . . . . . . 5220 1 1241 . 1 1 106 106 TYR CD1 C 13 132.929 0.05 . 1 . . . . . . . . . 5220 1 1242 . 1 1 106 106 TYR CD2 C 13 132.929 0.05 . 1 . . . . . . . . . 5220 1 1243 . 1 1 106 106 TYR CE1 C 13 118.051 0.05 . 1 . . . . . . . . . 5220 1 1244 . 1 1 106 106 TYR CE2 C 13 118.051 0.05 . 1 . . . . . . . . . 5220 1 1245 . 1 1 106 106 TYR N N 15 121.632 0.05 . 1 . . . . . . . . . 5220 1 1246 . 1 1 107 107 CYS HA H 1 4.802 0.005 . 1 . . . . . . . . . 5220 1 1247 . 1 1 107 107 CYS HB2 H 1 3.4747 0.01 . 2 . . . . . . . . . 5220 1 1248 . 1 1 107 107 CYS HB3 H 1 3.3167 0.011 . 2 . . . . . . . . . 5220 1 1249 . 1 1 107 107 CYS H H 1 8.234 0.005 . 1 . . . . . . . . . 5220 1 1250 . 1 1 107 107 CYS CA C 13 54.8775 0.05 . 1 . . . . . . . . . 5220 1 1251 . 1 1 107 107 CYS CB C 13 42.605 0.129 . 1 . . . . . . . . . 5220 1 1252 . 1 1 107 107 CYS N N 15 124.626 0.05 . 1 . . . . . . . . . 5220 1 1253 . 1 1 108 108 GLN HA H 1 4.2525 0.006 . 1 . . . . . . . . . 5220 1 1254 . 1 1 108 108 GLN HB2 H 1 2.221 0.006 . 2 . . . . . . . . . 5220 1 1255 . 1 1 108 108 GLN HB3 H 1 2.0048 0.007 . 2 . . . . . . . . . 5220 1 1256 . 1 1 108 108 GLN HG2 H 1 2.4343 0.005 . 1 . . . . . . . . . 5220 1 1257 . 1 1 108 108 GLN HG3 H 1 2.4343 0.005 . 1 . . . . . . . . . 5220 1 1258 . 1 1 108 108 GLN H H 1 8.478 0.005 . 1 . . . . . . . . . 5220 1 1259 . 1 1 108 108 GLN HE21 H 1 7.662 0.005 . 2 . . . . . . . . . 5220 1 1260 . 1 1 108 108 GLN HE22 H 1 6.772 0.005 . 2 . . . . . . . . . 5220 1 1261 . 1 1 108 108 GLN CA C 13 57.697 0.05 . 1 . . . . . . . . . 5220 1 1262 . 1 1 108 108 GLN CB C 13 30.2092 0.1 . 1 . . . . . . . . . 5220 1 1263 . 1 1 108 108 GLN CG C 13 34.38 0.109 . 1 . . . . . . . . . 5220 1 1264 . 1 1 108 108 GLN N N 15 128.036 0.05 . 1 . . . . . . . . . 5220 1 1265 . 1 1 108 108 GLN NE2 N 15 112.059 0.05 . 1 . . . . . . . . . 5220 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 575 5220 1 1 576 5220 1 1 577 5220 1 1 578 5220 1 stop_ save_