data_4701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4701 _Entry.Title ; Tumor suppressor INK4: refinement of p16/INK4A structure and determination of p15/INK4B structure by comparative modeling and NMR data ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-27 _Entry.Accession_date 2000-03-27 _Entry.Last_release_date 2000-05-09 _Entry.Original_release_date 2000-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chunhua Yuan . . . 4701 2 Thomas Selby . L. . 4701 3 In-Ja Byeon . L. . 4701 4 Ming-Daw Tsai . . . 4701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 745 4701 '13C chemical shifts' 260 4701 '15N chemical shifts' 120 4701 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 . . 2000-05-09 2000-03-27 original author . 4701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 2525 . 4701 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4701 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Tumor suppressor INK4: refinement of p16/INK4A structure and determination of p15/INK4B structure by comparative modeling and NMR data ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chunhua Yuan . . . 4701 1 2 Thomas Selby . L. . 4701 1 3 Junan Li . . . 4701 1 4 In-Ja Byeon . L. . 4701 1 5 Ming-Daw Tsai . . . 4701 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID p15INK4B 4701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p15 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p15 _Assembly.Entry_ID 4701 _Assembly.ID 1 _Assembly.Name 'mouse p15(INK4B) tumor suppressor' _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 free' _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 4701 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 p15 1 $p15 . . . native . . . . . 4701 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 . PDB 1D9S . 'A Chain A, Tumor Suppressor P15(Ink4b) Structure By Comparative Modeling And Nmr Data' . . . . 4701 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'mouse p15(INK4B) tumor suppressor' system 4701 1 p15 abbreviation 4701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p15 _Entity.Sf_category entity _Entity.Sf_framecode p15 _Entity.Entry_ID 4701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p15 _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 ; GSPGIHMLGGSSDAGLATAA ARGQVETVRQLLEAGADPNA LNRFGRRPIQVMMMGSAQVA ELLLLHGAEPNCADPATLTR PVHDAAREGFLDTLVVLHRA GARLDVCDAWGRLPVDLAEE QGHRDIARYLHAATGD ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first six residues (GSPGIH) are GST-linker.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1D9S . "Tumor Suppressor P15(Ink4b) Structure By Comparative Modeling And Nmr Data" . . . . . 100.00 136 100.00 100.00 1.60e-90 . . . . 4701 1 2 no DBJ BAE25719 . "unnamed protein product [Mus musculus]" . . . . . 95.59 130 99.23 99.23 5.58e-85 . . . . 4701 1 3 no GB AAB35360 . "Ink4 [Rattus sp.]" . . . . . 95.59 130 96.92 99.23 1.38e-83 . . . . 4701 1 4 no GB AAB39833 . "p15INK4B [Mus musculus]" . . . . . 95.59 130 100.00 100.00 8.72e-86 . . . . 4701 1 5 no GB AAB94534 . "cyclin-dependent kinase inhibitor p15INK4b [Mus musculus]" . . . . . 63.24 86 97.67 100.00 5.39e-52 . . . . 4701 1 6 no GB AAC14569 . "cyclin dependent kinase inhibitor 2B [Mus musculus]" . . . . . 95.59 130 100.00 100.00 8.72e-86 . . . . 4701 1 7 no GB AAD00232 . "cyclin-dependent kinase inhibitor protein [Mus musculus]" . . . . . 63.24 86 100.00 100.00 4.88e-53 . . . . 4701 1 8 no PIR I78845 . "p15INK4b - mouse" . . . . . 95.59 130 100.00 100.00 8.72e-86 . . . . 4701 1 9 no REF NP_031696 . "cyclin-dependent kinase 4 inhibitor B [Mus musculus]" . . . . . 95.59 130 100.00 100.00 8.72e-86 . . . . 4701 1 10 no REF NP_570825 . "cyclin-dependent kinase 4 inhibitor B [Rattus norvegicus]" . . . . . 95.59 130 96.92 99.23 1.38e-83 . . . . 4701 1 11 no REF XP_006974062 . "PREDICTED: cyclin-dependent kinase 4 inhibitor B [Peromyscus maniculatus bairdii]" . . . . . 95.59 130 96.92 98.46 1.59e-83 . . . . 4701 1 12 no SP P55271 . "RecName: Full=Cyclin-dependent kinase 4 inhibitor B; AltName: Full=p14-INK4b; AltName: Full=p15-INK4b" . . . . . 95.59 130 100.00 100.00 8.72e-86 . . . . 4701 1 13 no SP P55272 . "RecName: Full=Cyclin-dependent kinase 4 inhibitor B; AltName: Full=p14-INK4b; AltName: Full=p15-INK4b" . . . . . 95.59 130 96.92 99.23 1.38e-83 . . . . 4701 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p15 common 4701 1 p15 abbreviation 4701 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 . GLY . 4701 1 2 . SER . 4701 1 3 . PRO . 4701 1 4 . GLY . 4701 1 5 . ILE . 4701 1 6 . HIS . 4701 1 7 . MET . 4701 1 8 . LEU . 4701 1 9 . GLY . 4701 1 10 . GLY . 4701 1 11 . SER . 4701 1 12 . SER . 4701 1 13 . ASP . 4701 1 14 . ALA . 4701 1 15 . GLY . 4701 1 16 . LEU . 4701 1 17 . ALA . 4701 1 18 . THR . 4701 1 19 . ALA . 4701 1 20 . ALA . 4701 1 21 . ALA . 4701 1 22 . ARG . 4701 1 23 . GLY . 4701 1 24 . GLN . 4701 1 25 . VAL . 4701 1 26 . GLU . 4701 1 27 . THR . 4701 1 28 . VAL . 4701 1 29 . ARG . 4701 1 30 . GLN . 4701 1 31 . LEU . 4701 1 32 . LEU . 4701 1 33 . GLU . 4701 1 34 . ALA . 4701 1 35 . GLY . 4701 1 36 . ALA . 4701 1 37 . ASP . 4701 1 38 . PRO . 4701 1 39 . ASN . 4701 1 40 . ALA . 4701 1 41 . LEU . 4701 1 42 . ASN . 4701 1 43 . ARG . 4701 1 44 . PHE . 4701 1 45 . GLY . 4701 1 46 . ARG . 4701 1 47 . ARG . 4701 1 48 . PRO . 4701 1 49 . ILE . 4701 1 50 . GLN . 4701 1 51 . VAL . 4701 1 52 . MET . 4701 1 53 . MET . 4701 1 54 . MET . 4701 1 55 . GLY . 4701 1 56 . SER . 4701 1 57 . ALA . 4701 1 58 . GLN . 4701 1 59 . VAL . 4701 1 60 . ALA . 4701 1 61 . GLU . 4701 1 62 . LEU . 4701 1 63 . LEU . 4701 1 64 . LEU . 4701 1 65 . LEU . 4701 1 66 . HIS . 4701 1 67 . GLY . 4701 1 68 . ALA . 4701 1 69 . GLU . 4701 1 70 . PRO . 4701 1 71 . ASN . 4701 1 72 . CYS . 4701 1 73 . ALA . 4701 1 74 . ASP . 4701 1 75 . PRO . 4701 1 76 . ALA . 4701 1 77 . THR . 4701 1 78 . LEU . 4701 1 79 . THR . 4701 1 80 . ARG . 4701 1 81 . PRO . 4701 1 82 . VAL . 4701 1 83 . HIS . 4701 1 84 . ASP . 4701 1 85 . ALA . 4701 1 86 . ALA . 4701 1 87 . ARG . 4701 1 88 . GLU . 4701 1 89 . GLY . 4701 1 90 . PHE . 4701 1 91 . LEU . 4701 1 92 . ASP . 4701 1 93 . THR . 4701 1 94 . LEU . 4701 1 95 . VAL . 4701 1 96 . VAL . 4701 1 97 . LEU . 4701 1 98 . HIS . 4701 1 99 . ARG . 4701 1 100 . ALA . 4701 1 101 . GLY . 4701 1 102 . ALA . 4701 1 103 . ARG . 4701 1 104 . LEU . 4701 1 105 . ASP . 4701 1 106 . VAL . 4701 1 107 . CYS . 4701 1 108 . ASP . 4701 1 109 . ALA . 4701 1 110 . TRP . 4701 1 111 . GLY . 4701 1 112 . ARG . 4701 1 113 . LEU . 4701 1 114 . PRO . 4701 1 115 . VAL . 4701 1 116 . ASP . 4701 1 117 . LEU . 4701 1 118 . ALA . 4701 1 119 . GLU . 4701 1 120 . GLU . 4701 1 121 . GLN . 4701 1 122 . GLY . 4701 1 123 . HIS . 4701 1 124 . ARG . 4701 1 125 . ASP . 4701 1 126 . ILE . 4701 1 127 . ALA . 4701 1 128 . ARG . 4701 1 129 . TYR . 4701 1 130 . LEU . 4701 1 131 . HIS . 4701 1 132 . ALA . 4701 1 133 . ALA . 4701 1 134 . THR . 4701 1 135 . GLY . 4701 1 136 . ASP . 4701 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 . GLY 1 1 4701 1 . SER 2 2 4701 1 . PRO 3 3 4701 1 . GLY 4 4 4701 1 . ILE 5 5 4701 1 . HIS 6 6 4701 1 . MET 7 7 4701 1 . LEU 8 8 4701 1 . GLY 9 9 4701 1 . GLY 10 10 4701 1 . SER 11 11 4701 1 . SER 12 12 4701 1 . ASP 13 13 4701 1 . ALA 14 14 4701 1 . GLY 15 15 4701 1 . LEU 16 16 4701 1 . ALA 17 17 4701 1 . THR 18 18 4701 1 . ALA 19 19 4701 1 . ALA 20 20 4701 1 . ALA 21 21 4701 1 . ARG 22 22 4701 1 . GLY 23 23 4701 1 . GLN 24 24 4701 1 . VAL 25 25 4701 1 . GLU 26 26 4701 1 . THR 27 27 4701 1 . VAL 28 28 4701 1 . ARG 29 29 4701 1 . GLN 30 30 4701 1 . LEU 31 31 4701 1 . LEU 32 32 4701 1 . GLU 33 33 4701 1 . ALA 34 34 4701 1 . GLY 35 35 4701 1 . ALA 36 36 4701 1 . ASP 37 37 4701 1 . PRO 38 38 4701 1 . ASN 39 39 4701 1 . ALA 40 40 4701 1 . LEU 41 41 4701 1 . ASN 42 42 4701 1 . ARG 43 43 4701 1 . PHE 44 44 4701 1 . GLY 45 45 4701 1 . ARG 46 46 4701 1 . ARG 47 47 4701 1 . PRO 48 48 4701 1 . ILE 49 49 4701 1 . GLN 50 50 4701 1 . VAL 51 51 4701 1 . MET 52 52 4701 1 . MET 53 53 4701 1 . MET 54 54 4701 1 . GLY 55 55 4701 1 . SER 56 56 4701 1 . ALA 57 57 4701 1 . GLN 58 58 4701 1 . VAL 59 59 4701 1 . ALA 60 60 4701 1 . GLU 61 61 4701 1 . LEU 62 62 4701 1 . LEU 63 63 4701 1 . LEU 64 64 4701 1 . LEU 65 65 4701 1 . HIS 66 66 4701 1 . GLY 67 67 4701 1 . ALA 68 68 4701 1 . GLU 69 69 4701 1 . PRO 70 70 4701 1 . ASN 71 71 4701 1 . CYS 72 72 4701 1 . ALA 73 73 4701 1 . ASP 74 74 4701 1 . PRO 75 75 4701 1 . ALA 76 76 4701 1 . THR 77 77 4701 1 . LEU 78 78 4701 1 . THR 79 79 4701 1 . ARG 80 80 4701 1 . PRO 81 81 4701 1 . VAL 82 82 4701 1 . HIS 83 83 4701 1 . ASP 84 84 4701 1 . ALA 85 85 4701 1 . ALA 86 86 4701 1 . ARG 87 87 4701 1 . GLU 88 88 4701 1 . GLY 89 89 4701 1 . PHE 90 90 4701 1 . LEU 91 91 4701 1 . ASP 92 92 4701 1 . THR 93 93 4701 1 . LEU 94 94 4701 1 . VAL 95 95 4701 1 . VAL 96 96 4701 1 . LEU 97 97 4701 1 . HIS 98 98 4701 1 . ARG 99 99 4701 1 . ALA 100 100 4701 1 . GLY 101 101 4701 1 . ALA 102 102 4701 1 . ARG 103 103 4701 1 . LEU 104 104 4701 1 . ASP 105 105 4701 1 . VAL 106 106 4701 1 . CYS 107 107 4701 1 . ASP 108 108 4701 1 . ALA 109 109 4701 1 . TRP 110 110 4701 1 . GLY 111 111 4701 1 . ARG 112 112 4701 1 . LEU 113 113 4701 1 . PRO 114 114 4701 1 . VAL 115 115 4701 1 . ASP 116 116 4701 1 . LEU 117 117 4701 1 . ALA 118 118 4701 1 . GLU 119 119 4701 1 . GLU 120 120 4701 1 . GLN 121 121 4701 1 . GLY 122 122 4701 1 . HIS 123 123 4701 1 . ARG 124 124 4701 1 . ASP 125 125 4701 1 . ILE 126 126 4701 1 . ALA 127 127 4701 1 . ARG 128 128 4701 1 . TYR 129 129 4701 1 . LEU 130 130 4701 1 . HIS 131 131 4701 1 . ALA 132 132 4701 1 . ALA 133 133 4701 1 . THR 134 134 4701 1 . GLY 135 135 4701 1 . ASP 136 136 4701 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 4701 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p15 . 10090 . . 'Mus musculus' 'Mus musculus' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4701 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 4701 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p15 . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli . . . . . . . . . . . . . . . . . . . . ; p15 was expressed as a GST-fusion protein. The GST portion was cleaved off by thrombin. ; . . 4701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4701 _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 p15 [U-15N] . . 1 $p15 . . . 0.2 0.4 mM . . . . 4701 1 2 HEPES . . . . . . . 4 . . mM . . . . 4701 1 3 DTT . . . . . . . 1 . . mM . . . . 4701 1 4 EDTA . . . . . . . 5. . . uM . . . . 4701 1 5 D2O . . . . . . . 5 . . % . . . . 4701 1 6 H2O . . . . . . . 95 . . % . . . . 4701 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4701 _Sample.ID 2 _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 p15 '[U-15N; U-13C]' . . 1 $p15 . . . 0.2 0.4 mM . . . . 4701 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4701 _Sample.ID 3 _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 p15 '[U-15N; U-13C]' . . 1 $p15 . . . 0.2 0.4 mM . . . . 4701 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4701 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.3 n/a 4701 1 temperature 293 1 K 4701 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4701 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data collection and data procssing' 4701 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4701 _NMR_spectrometer.ID 2 _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 4701 _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_1 Bruker DRX . 800 . . . 4701 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 4701 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 4701 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4701 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4701 1 3 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4701 1 4 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4701 1 5 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4701 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4701 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4701 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4701 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4701 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4701 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 4701 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4701 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4701 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4701 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4701 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 $sample_1 . 4701 1 . . 2 $sample_2 . 4701 1 . . 3 $sample_3 . 4701 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 MET H H 1 8.25 0.05 . 1 . . . . . . . . 4701 1 2 . 1 1 7 7 MET HA H 1 4.43 0.05 . 1 . . . . . . . . 4701 1 3 . 1 1 7 7 MET HB2 H 1 2.01 0.05 . 2 . . . . . . . . 4701 1 4 . 1 1 7 7 MET HB3 H 1 1.90 0.05 . 2 . . . . . . . . 4701 1 5 . 1 1 7 7 MET HG2 H 1 2.45 0.05 . 2 . . . . . . . . 4701 1 6 . 1 1 7 7 MET HG3 H 1 2.35 0.05 . 2 . . . . . . . . 4701 1 7 . 1 1 7 7 MET CA C 13 55.2 0.2 . 1 . . . . . . . . 4701 1 8 . 1 1 7 7 MET CB C 13 32.6 0.2 . 1 . . . . . . . . 4701 1 9 . 1 1 7 7 MET N N 15 122.7 0.2 . 1 . . . . . . . . 4701 1 10 . 1 1 8 8 LEU H H 1 8.33 0.05 . 1 . . . . . . . . 4701 1 11 . 1 1 8 8 LEU HA H 1 4.31 0.05 . 1 . . . . . . . . 4701 1 12 . 1 1 8 8 LEU HB2 H 1 1.62 0.05 . 2 . . . . . . . . 4701 1 13 . 1 1 8 8 LEU HB3 H 1 1.58 0.05 . 2 . . . . . . . . 4701 1 14 . 1 1 8 8 LEU HG H 1 1.58 0.05 . 1 . . . . . . . . 4701 1 15 . 1 1 8 8 LEU HD11 H 1 0.87 0.05 . 5 . . . . . . . . 4701 1 16 . 1 1 8 8 LEU HD12 H 1 0.87 0.05 . 5 . . . . . . . . 4701 1 17 . 1 1 8 8 LEU HD13 H 1 0.87 0.05 . 5 . . . . . . . . 4701 1 18 . 1 1 8 8 LEU HD21 H 1 0.83 0.05 . 5 . . . . . . . . 4701 1 19 . 1 1 8 8 LEU HD22 H 1 0.83 0.05 . 5 . . . . . . . . 4701 1 20 . 1 1 8 8 LEU HD23 H 1 0.83 0.05 . 5 . . . . . . . . 4701 1 21 . 1 1 8 8 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 4701 1 22 . 1 1 8 8 LEU CB C 13 44.2 0.2 . 1 . . . . . . . . 4701 1 23 . 1 1 8 8 LEU N N 15 124.2 0.2 . 1 . . . . . . . . 4701 1 24 . 1 1 9 9 GLY H H 1 8.51 0.05 . 1 . . . . . . . . 4701 1 25 . 1 1 9 9 GLY HA2 H 1 4.05 0.05 . 2 . . . . . . . . 4701 1 26 . 1 1 9 9 GLY HA3 H 1 3.75 0.05 . 2 . . . . . . . . 4701 1 27 . 1 1 9 9 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4701 1 28 . 1 1 9 9 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 4701 1 29 . 1 1 10 10 GLY H H 1 8.35 0.05 . 1 . . . . . . . . 4701 1 30 . 1 1 10 10 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4701 1 31 . 1 1 10 10 GLY N N 15 109.7 0.2 . 1 . . . . . . . . 4701 1 32 . 1 1 12 12 SER H H 1 8.56 0.05 . 1 . . . . . . . . 4701 1 33 . 1 1 12 12 SER HA H 1 4.46 0.05 . 1 . . . . . . . . 4701 1 34 . 1 1 12 12 SER HB2 H 1 3.90 0.05 . 2 . . . . . . . . 4701 1 35 . 1 1 12 12 SER HB3 H 1 3.84 0.05 . 2 . . . . . . . . 4701 1 36 . 1 1 12 12 SER CA C 13 59.0 0.2 . 1 . . . . . . . . 4701 1 37 . 1 1 12 12 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4701 1 38 . 1 1 12 12 SER N N 15 118.8 0.2 . 1 . . . . . . . . 4701 1 39 . 1 1 13 13 ASP H H 1 8.26 0.05 . 1 . . . . . . . . 4701 1 40 . 1 1 13 13 ASP HA H 1 4.48 0.05 . 1 . . . . . . . . 4701 1 41 . 1 1 13 13 ASP HB2 H 1 2.62 0.05 . 1 . . . . . . . . 4701 1 42 . 1 1 13 13 ASP HB3 H 1 2.62 0.05 . 1 . . . . . . . . 4701 1 43 . 1 1 13 13 ASP CA C 13 55.2 0.2 . 1 . . . . . . . . 4701 1 44 . 1 1 13 13 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4701 1 45 . 1 1 13 13 ASP N N 15 123.3 0.2 . 1 . . . . . . . . 4701 1 46 . 1 1 14 14 ALA H H 1 8.45 0.05 . 1 . . . . . . . . 4701 1 47 . 1 1 14 14 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 48 . 1 1 14 14 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 49 . 1 1 14 14 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 50 . 1 1 14 14 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4701 1 51 . 1 1 14 14 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 4701 1 52 . 1 1 14 14 ALA N N 15 126.3 0.2 . 1 . . . . . . . . 4701 1 53 . 1 1 15 15 GLY H H 1 8.32 0.05 . 1 . . . . . . . . 4701 1 54 . 1 1 15 15 GLY HA2 H 1 4.03 0.05 . 2 . . . . . . . . 4701 1 55 . 1 1 15 15 GLY HA3 H 1 3.82 0.05 . 2 . . . . . . . . 4701 1 56 . 1 1 15 15 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 4701 1 57 . 1 1 15 15 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4701 1 58 . 1 1 16 16 LEU H H 1 8.63 0.05 . 1 . . . . . . . . 4701 1 59 . 1 1 16 16 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 4701 1 60 . 1 1 16 16 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 4701 1 61 . 1 1 17 17 ALA H H 1 8.62 0.05 . 1 . . . . . . . . 4701 1 62 . 1 1 17 17 ALA HA H 1 3.65 0.05 . 1 . . . . . . . . 4701 1 63 . 1 1 17 17 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 4701 1 64 . 1 1 17 17 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 4701 1 65 . 1 1 17 17 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 4701 1 66 . 1 1 17 17 ALA CA C 13 56.2 0.2 . 1 . . . . . . . . 4701 1 67 . 1 1 17 17 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4701 1 68 . 1 1 17 17 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 4701 1 69 . 1 1 18 18 THR H H 1 8.05 0.05 . 1 . . . . . . . . 4701 1 70 . 1 1 18 18 THR HA H 1 3.80 0.05 . 1 . . . . . . . . 4701 1 71 . 1 1 18 18 THR HB H 1 3.98 0.05 . 1 . . . . . . . . 4701 1 72 . 1 1 18 18 THR HG21 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 73 . 1 1 18 18 THR HG22 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 74 . 1 1 18 18 THR HG23 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 75 . 1 1 18 18 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 4701 1 76 . 1 1 18 18 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 4701 1 77 . 1 1 18 18 THR N N 15 115.5 0.2 . 1 . . . . . . . . 4701 1 78 . 1 1 19 19 ALA H H 1 7.81 0.05 . 1 . . . . . . . . 4701 1 79 . 1 1 19 19 ALA HA H 1 4.10 0.05 . 1 . . . . . . . . 4701 1 80 . 1 1 19 19 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 81 . 1 1 19 19 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 82 . 1 1 19 19 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 83 . 1 1 19 19 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4701 1 84 . 1 1 19 19 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4701 1 85 . 1 1 19 19 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4701 1 86 . 1 1 20 20 ALA H H 1 8.60 0.05 . 1 . . . . . . . . 4701 1 87 . 1 1 20 20 ALA HA H 1 3.84 0.05 . 1 . . . . . . . . 4701 1 88 . 1 1 20 20 ALA HB1 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 89 . 1 1 20 20 ALA HB2 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 90 . 1 1 20 20 ALA HB3 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 91 . 1 1 20 20 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4701 1 92 . 1 1 20 20 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4701 1 93 . 1 1 20 20 ALA N N 15 120.6 0.2 . 1 . . . . . . . . 4701 1 94 . 1 1 21 21 ALA H H 1 8.58 0.05 . 1 . . . . . . . . 4701 1 95 . 1 1 21 21 ALA HA H 1 4.40 0.05 . 1 . . . . . . . . 4701 1 96 . 1 1 21 21 ALA HB1 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 97 . 1 1 21 21 ALA HB2 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 98 . 1 1 21 21 ALA HB3 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 99 . 1 1 21 21 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4701 1 100 . 1 1 21 21 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4701 1 101 . 1 1 21 21 ALA N N 15 125.5 0.2 . 1 . . . . . . . . 4701 1 102 . 1 1 22 22 ARG H H 1 7.62 0.05 . 1 . . . . . . . . 4701 1 103 . 1 1 22 22 ARG HA H 1 4.40 0.05 . 1 . . . . . . . . 4701 1 104 . 1 1 22 22 ARG HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4701 1 105 . 1 1 22 22 ARG HB3 H 1 1.90 0.05 . 2 . . . . . . . . 4701 1 106 . 1 1 22 22 ARG HG2 H 1 1.65 0.05 . 1 . . . . . . . . 4701 1 107 . 1 1 22 22 ARG HG3 H 1 1.65 0.05 . 1 . . . . . . . . 4701 1 108 . 1 1 22 22 ARG HD2 H 1 3.04 0.05 . 1 . . . . . . . . 4701 1 109 . 1 1 22 22 ARG HD3 H 1 3.04 0.05 . 1 . . . . . . . . 4701 1 110 . 1 1 22 22 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 4701 1 111 . 1 1 22 22 ARG CB C 13 31.3 0.2 . 1 . . . . . . . . 4701 1 112 . 1 1 22 22 ARG N N 15 114.5 0.2 . 1 . . . . . . . . 4701 1 113 . 1 1 23 23 GLY H H 1 7.99 0.05 . 1 . . . . . . . . 4701 1 114 . 1 1 23 23 GLY HA2 H 1 4.30 0.05 . 2 . . . . . . . . 4701 1 115 . 1 1 23 23 GLY HA3 H 1 3.58 0.05 . 2 . . . . . . . . 4701 1 116 . 1 1 23 23 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 4701 1 117 . 1 1 23 23 GLY N N 15 110.6 0.2 . 1 . . . . . . . . 4701 1 118 . 1 1 24 24 GLN H H 1 8.06 0.05 . 1 . . . . . . . . 4701 1 119 . 1 1 24 24 GLN HA H 1 4.39 0.05 . 1 . . . . . . . . 4701 1 120 . 1 1 24 24 GLN HB2 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 121 . 1 1 24 24 GLN HB3 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 122 . 1 1 24 24 GLN HG2 H 1 2.30 0.05 . 2 . . . . . . . . 4701 1 123 . 1 1 24 24 GLN HG3 H 1 2.10 0.05 . 2 . . . . . . . . 4701 1 124 . 1 1 24 24 GLN CA C 13 54.4 0.2 . 1 . . . . . . . . 4701 1 125 . 1 1 24 24 GLN CB C 13 27.9 0.2 . 1 . . . . . . . . 4701 1 126 . 1 1 24 24 GLN N N 15 119.6 0.2 . 1 . . . . . . . . 4701 1 127 . 1 1 25 25 VAL H H 1 7.88 0.05 . 1 . . . . . . . . 4701 1 128 . 1 1 25 25 VAL HA H 1 3.01 0.05 . 1 . . . . . . . . 4701 1 129 . 1 1 25 25 VAL HB H 1 1.92 0.05 . 1 . . . . . . . . 4701 1 130 . 1 1 25 25 VAL HG11 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 131 . 1 1 25 25 VAL HG12 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 132 . 1 1 25 25 VAL HG13 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 133 . 1 1 25 25 VAL HG21 H 1 0.95 0.05 . 1 . . . . . . . . 4701 1 134 . 1 1 25 25 VAL HG22 H 1 0.95 0.05 . 1 . . . . . . . . 4701 1 135 . 1 1 25 25 VAL HG23 H 1 0.95 0.05 . 1 . . . . . . . . 4701 1 136 . 1 1 25 25 VAL CA C 13 67.8 0.2 . 1 . . . . . . . . 4701 1 137 . 1 1 25 25 VAL CB C 13 32.8 0.2 . 1 . . . . . . . . 4701 1 138 . 1 1 25 25 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 4701 1 139 . 1 1 25 25 VAL N N 15 126.3 0.2 . 1 . . . . . . . . 4701 1 140 . 1 1 26 26 GLU H H 1 8.65 0.05 . 1 . . . . . . . . 4701 1 141 . 1 1 26 26 GLU HA H 1 4.04 0.05 . 1 . . . . . . . . 4701 1 142 . 1 1 26 26 GLU HB2 H 1 1.97 0.05 . 1 . . . . . . . . 4701 1 143 . 1 1 26 26 GLU HB3 H 1 1.97 0.05 . 1 . . . . . . . . 4701 1 144 . 1 1 26 26 GLU HG2 H 1 2.30 0.05 . 1 . . . . . . . . 4701 1 145 . 1 1 26 26 GLU HG3 H 1 2.30 0.05 . 1 . . . . . . . . 4701 1 146 . 1 1 26 26 GLU CA C 13 59.0 0.2 . 1 . . . . . . . . 4701 1 147 . 1 1 26 26 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 4701 1 148 . 1 1 26 26 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4701 1 149 . 1 1 26 26 GLU N N 15 117.4 0.2 . 1 . . . . . . . . 4701 1 150 . 1 1 27 27 THR H H 1 7.30 0.05 . 1 . . . . . . . . 4701 1 151 . 1 1 27 27 THR HA H 1 3.90 0.05 . 1 . . . . . . . . 4701 1 152 . 1 1 27 27 THR HB H 1 4.00 0.05 . 1 . . . . . . . . 4701 1 153 . 1 1 27 27 THR HG21 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 154 . 1 1 27 27 THR HG22 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 155 . 1 1 27 27 THR HG23 H 1 1.16 0.05 . 1 . . . . . . . . 4701 1 156 . 1 1 27 27 THR CA C 13 66.3 0.2 . 1 . . . . . . . . 4701 1 157 . 1 1 27 27 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 4701 1 158 . 1 1 27 27 THR N N 15 118.2 0.2 . 1 . . . . . . . . 4701 1 159 . 1 1 28 28 VAL H H 1 8.20 0.05 . 1 . . . . . . . . 4701 1 160 . 1 1 28 28 VAL HA H 1 3.21 0.05 . 1 . . . . . . . . 4701 1 161 . 1 1 28 28 VAL HB H 1 2.22 0.05 . 1 . . . . . . . . 4701 1 162 . 1 1 28 28 VAL HG11 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 163 . 1 1 28 28 VAL HG12 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 164 . 1 1 28 28 VAL HG13 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 165 . 1 1 28 28 VAL HG21 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 166 . 1 1 28 28 VAL HG22 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 167 . 1 1 28 28 VAL HG23 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 168 . 1 1 28 28 VAL CA C 13 67.7 0.2 . 1 . . . . . . . . 4701 1 169 . 1 1 28 28 VAL CB C 13 30.9 0.2 . 1 . . . . . . . . 4701 1 170 . 1 1 28 28 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 4701 1 171 . 1 1 29 29 ARG H H 1 8.40 0.05 . 1 . . . . . . . . 4701 1 172 . 1 1 29 29 ARG HA H 1 3.56 0.05 . 1 . . . . . . . . 4701 1 173 . 1 1 29 29 ARG HB2 H 1 1.90 0.05 . 1 . . . . . . . . 4701 1 174 . 1 1 29 29 ARG HB3 H 1 1.90 0.05 . 1 . . . . . . . . 4701 1 175 . 1 1 29 29 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4701 1 176 . 1 1 29 29 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4701 1 177 . 1 1 29 29 ARG CA C 13 61.0 0.2 . 1 . . . . . . . . 4701 1 178 . 1 1 29 29 ARG N N 15 119.0 0.2 . 1 . . . . . . . . 4701 1 179 . 1 1 30 30 GLN H H 1 8.08 0.05 . 1 . . . . . . . . 4701 1 180 . 1 1 30 30 GLN HA H 1 3.92 0.05 . 1 . . . . . . . . 4701 1 181 . 1 1 30 30 GLN HB2 H 1 2.12 0.05 . 2 . . . . . . . . 4701 1 182 . 1 1 30 30 GLN HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4701 1 183 . 1 1 30 30 GLN HG2 H 1 2.58 0.05 . 2 . . . . . . . . 4701 1 184 . 1 1 30 30 GLN HG3 H 1 2.32 0.05 . 2 . . . . . . . . 4701 1 185 . 1 1 30 30 GLN HE21 H 1 7.47 0.05 . 2 . . . . . . . . 4701 1 186 . 1 1 30 30 GLN HE22 H 1 6.74 0.05 . 2 . . . . . . . . 4701 1 187 . 1 1 30 30 GLN CA C 13 59.0 0.2 . 1 . . . . . . . . 4701 1 188 . 1 1 30 30 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 4701 1 189 . 1 1 30 30 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 4701 1 190 . 1 1 30 30 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 4701 1 191 . 1 1 30 30 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 4701 1 192 . 1 1 31 31 LEU H H 1 8.47 0.05 . 1 . . . . . . . . 4701 1 193 . 1 1 31 31 LEU HA H 1 3.95 0.05 . 1 . . . . . . . . 4701 1 194 . 1 1 31 31 LEU HB2 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 195 . 1 1 31 31 LEU HB3 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 196 . 1 1 31 31 LEU HD11 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 197 . 1 1 31 31 LEU HD12 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 198 . 1 1 31 31 LEU HD13 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 199 . 1 1 31 31 LEU HD21 H 1 0.60 0.05 . 4 . . . . . . . . 4701 1 200 . 1 1 31 31 LEU HD22 H 1 0.60 0.05 . 4 . . . . . . . . 4701 1 201 . 1 1 31 31 LEU HD23 H 1 0.60 0.05 . 4 . . . . . . . . 4701 1 202 . 1 1 31 31 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4701 1 203 . 1 1 31 31 LEU CD1 C 13 28.3 0.2 . 4 . . . . . . . . 4701 1 204 . 1 1 31 31 LEU CD2 C 13 26.3 0.2 . 4 . . . . . . . . 4701 1 205 . 1 1 31 31 LEU N N 15 120.2 0.2 . 1 . . . . . . . . 4701 1 206 . 1 1 32 32 LEU H H 1 8.28 0.05 . 1 . . . . . . . . 4701 1 207 . 1 1 32 32 LEU HA H 1 3.89 0.05 . 1 . . . . . . . . 4701 1 208 . 1 1 32 32 LEU HB2 H 1 1.39 0.05 . 2 . . . . . . . . 4701 1 209 . 1 1 32 32 LEU HB3 H 1 0.10 0.05 . 2 . . . . . . . . 4701 1 210 . 1 1 32 32 LEU HD11 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 211 . 1 1 32 32 LEU HD12 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 212 . 1 1 32 32 LEU HD13 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 213 . 1 1 32 32 LEU HD21 H 1 0.56 0.05 . 4 . . . . . . . . 4701 1 214 . 1 1 32 32 LEU HD22 H 1 0.56 0.05 . 4 . . . . . . . . 4701 1 215 . 1 1 32 32 LEU HD23 H 1 0.56 0.05 . 4 . . . . . . . . 4701 1 216 . 1 1 32 32 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4701 1 217 . 1 1 32 32 LEU CD1 C 13 23.6 0.5 . 4 . . . . . . . . 4701 1 218 . 1 1 32 32 LEU CD2 C 13 28.3 0.5 . 4 . . . . . . . . 4701 1 219 . 1 1 32 32 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 4701 1 220 . 1 1 33 33 GLU H H 1 8.62 0.05 . 1 . . . . . . . . 4701 1 221 . 1 1 33 33 GLU HA H 1 4.02 0.05 . 1 . . . . . . . . 4701 1 222 . 1 1 33 33 GLU HB2 H 1 2.08 0.05 . 1 . . . . . . . . 4701 1 223 . 1 1 33 33 GLU HB3 H 1 2.08 0.05 . 1 . . . . . . . . 4701 1 224 . 1 1 33 33 GLU HG2 H 1 2.58 0.05 . 2 . . . . . . . . 4701 1 225 . 1 1 33 33 GLU HG3 H 1 2.31 0.05 . 2 . . . . . . . . 4701 1 226 . 1 1 33 33 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4701 1 227 . 1 1 33 33 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 4701 1 228 . 1 1 33 33 GLU CG C 13 37.8 0.2 . 1 . . . . . . . . 4701 1 229 . 1 1 33 33 GLU N N 15 121.8 0.2 . 1 . . . . . . . . 4701 1 230 . 1 1 34 34 ALA H H 1 7.45 0.05 . 1 . . . . . . . . 4701 1 231 . 1 1 34 34 ALA HA H 1 4.45 0.05 . 1 . . . . . . . . 4701 1 232 . 1 1 34 34 ALA HB1 H 1 1.51 0.05 . 1 . . . . . . . . 4701 1 233 . 1 1 34 34 ALA HB2 H 1 1.51 0.05 . 1 . . . . . . . . 4701 1 234 . 1 1 34 34 ALA HB3 H 1 1.51 0.05 . 1 . . . . . . . . 4701 1 235 . 1 1 34 34 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 4701 1 236 . 1 1 34 34 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 4701 1 237 . 1 1 34 34 ALA N N 15 120.2 0.2 . 1 . . . . . . . . 4701 1 238 . 1 1 35 35 GLY H H 1 7.60 0.05 . 1 . . . . . . . . 4701 1 239 . 1 1 35 35 GLY HA2 H 1 4.41 0.05 . 2 . . . . . . . . 4701 1 240 . 1 1 35 35 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 4701 1 241 . 1 1 35 35 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 4701 1 242 . 1 1 35 35 GLY N N 15 106.1 0.2 . 1 . . . . . . . . 4701 1 243 . 1 1 36 36 ALA H H 1 8.05 0.05 . 1 . . . . . . . . 4701 1 244 . 1 1 36 36 ALA HA H 1 4.10 0.05 . 1 . . . . . . . . 4701 1 245 . 1 1 36 36 ALA HB1 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 246 . 1 1 36 36 ALA HB2 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 247 . 1 1 36 36 ALA HB3 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 248 . 1 1 36 36 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 4701 1 249 . 1 1 36 36 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 4701 1 250 . 1 1 36 36 ALA N N 15 124.0 0.2 . 1 . . . . . . . . 4701 1 251 . 1 1 37 37 ASP H H 1 8.34 0.05 . 1 . . . . . . . . 4701 1 252 . 1 1 37 37 ASP HA H 1 4.80 0.05 . 9 . . . . . . . . 4701 1 253 . 1 1 37 37 ASP HB2 H 1 2.80 0.05 . 1 . . . . . . . . 4701 1 254 . 1 1 37 37 ASP HB3 H 1 2.80 0.05 . 1 . . . . . . . . 4701 1 255 . 1 1 37 37 ASP CB C 13 42.1 0.2 . 1 . . . . . . . . 4701 1 256 . 1 1 37 37 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 4701 1 257 . 1 1 38 38 PRO HA H 1 4.15 0.05 . 1 . . . . . . . . 4701 1 258 . 1 1 38 38 PRO HB2 H 1 1.95 0.05 . 2 . . . . . . . . 4701 1 259 . 1 1 38 38 PRO HB3 H 1 1.73 0.05 . 2 . . . . . . . . 4701 1 260 . 1 1 38 38 PRO HG2 H 1 1.70 0.05 . 9 . . . . . . . . 4701 1 261 . 1 1 38 38 PRO HG3 H 1 1.70 0.05 . 9 . . . . . . . . 4701 1 262 . 1 1 38 38 PRO HD2 H 1 4.05 0.05 . 9 . . . . . . . . 4701 1 263 . 1 1 38 38 PRO HD3 H 1 4.05 0.05 . 9 . . . . . . . . 4701 1 264 . 1 1 38 38 PRO CA C 13 63.8 0.2 . 1 . . . . . . . . 4701 1 265 . 1 1 38 38 PRO CB C 13 32.8 0.2 . 1 . . . . . . . . 4701 1 266 . 1 1 39 39 ASN H H 1 8.62 0.05 . 1 . . . . . . . . 4701 1 267 . 1 1 39 39 ASN HA H 1 4.05 0.05 . 1 . . . . . . . . 4701 1 268 . 1 1 39 39 ASN HB2 H 1 2.98 0.05 . 1 . . . . . . . . 4701 1 269 . 1 1 39 39 ASN HB3 H 1 2.98 0.05 . 1 . . . . . . . . 4701 1 270 . 1 1 39 39 ASN CA C 13 53.4 0.2 . 1 . . . . . . . . 4701 1 271 . 1 1 39 39 ASN CB C 13 40.8 0.2 . 1 . . . . . . . . 4701 1 272 . 1 1 39 39 ASN N N 15 116.4 0.2 . 1 . . . . . . . . 4701 1 273 . 1 1 40 40 ALA H H 1 6.74 0.05 . 1 . . . . . . . . 4701 1 274 . 1 1 40 40 ALA HA H 1 4.38 0.05 . 1 . . . . . . . . 4701 1 275 . 1 1 40 40 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 276 . 1 1 40 40 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 277 . 1 1 40 40 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 278 . 1 1 40 40 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 4701 1 279 . 1 1 40 40 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4701 1 280 . 1 1 40 40 ALA N N 15 124.0 0.2 . 1 . . . . . . . . 4701 1 281 . 1 1 41 41 LEU H H 1 8.31 0.05 . 1 . . . . . . . . 4701 1 282 . 1 1 41 41 LEU HA H 1 4.12 0.05 . 1 . . . . . . . . 4701 1 283 . 1 1 41 41 LEU HB2 H 1 1.68 0.05 . 2 . . . . . . . . 4701 1 284 . 1 1 41 41 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 4701 1 285 . 1 1 41 41 LEU HG H 1 1.64 0.05 . 1 . . . . . . . . 4701 1 286 . 1 1 41 41 LEU HD11 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 287 . 1 1 41 41 LEU HD12 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 288 . 1 1 41 41 LEU HD13 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 289 . 1 1 41 41 LEU HD21 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 290 . 1 1 41 41 LEU HD22 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 291 . 1 1 41 41 LEU HD23 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 292 . 1 1 41 41 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 4701 1 293 . 1 1 41 41 LEU CB C 13 43.8 0.2 . 1 . . . . . . . . 4701 1 294 . 1 1 41 41 LEU CD2 C 13 24.6 0.2 . 4 . . . . . . . . 4701 1 295 . 1 1 41 41 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 4701 1 296 . 1 1 42 42 ASN H H 1 8.68 0.05 . 1 . . . . . . . . 4701 1 297 . 1 1 42 42 ASN HA H 1 4.80 0.05 . 1 . . . . . . . . 4701 1 298 . 1 1 42 42 ASN HB2 H 1 3.65 0.05 . 2 . . . . . . . . 4701 1 299 . 1 1 42 42 ASN HB3 H 1 2.91 0.05 . 2 . . . . . . . . 4701 1 300 . 1 1 42 42 ASN CA C 13 50.9 0.2 . 1 . . . . . . . . 4701 1 301 . 1 1 42 42 ASN CB C 13 38.3 0.2 . 1 . . . . . . . . 4701 1 302 . 1 1 42 42 ASN N N 15 121.7 0.2 . 1 . . . . . . . . 4701 1 303 . 1 1 43 43 ARG HA H 1 3.98 0.05 . 1 . . . . . . . . 4701 1 304 . 1 1 43 43 ARG HB2 H 1 1.55 0.05 . 2 . . . . . . . . 4701 1 305 . 1 1 43 43 ARG HB3 H 1 1.35 0.05 . 2 . . . . . . . . 4701 1 306 . 1 1 43 43 ARG HG2 H 1 1.10 0.05 . 2 . . . . . . . . 4701 1 307 . 1 1 43 43 ARG HG3 H 1 0.68 0.05 . 2 . . . . . . . . 4701 1 308 . 1 1 43 43 ARG HD2 H 1 2.90 0.05 . 1 . . . . . . . . 4701 1 309 . 1 1 43 43 ARG HD3 H 1 2.90 0.05 . 1 . . . . . . . . 4701 1 310 . 1 1 43 43 ARG CA C 13 58.2 0.2 . 1 . . . . . . . . 4701 1 311 . 1 1 43 43 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 4701 1 312 . 1 1 43 43 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4701 1 313 . 1 1 43 43 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4701 1 314 . 1 1 44 44 PHE H H 1 7.44 0.05 . 1 . . . . . . . . 4701 1 315 . 1 1 44 44 PHE HA H 1 4.71 0.05 . 1 . . . . . . . . 4701 1 316 . 1 1 44 44 PHE HB2 H 1 3.50 0.05 . 2 . . . . . . . . 4701 1 317 . 1 1 44 44 PHE HB3 H 1 2.67 0.05 . 2 . . . . . . . . 4701 1 318 . 1 1 44 44 PHE HD1 H 1 7.20 0.05 . 1 . . . . . . . . 4701 1 319 . 1 1 44 44 PHE HD2 H 1 7.20 0.05 . 1 . . . . . . . . 4701 1 320 . 1 1 44 44 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 4701 1 321 . 1 1 44 44 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 4701 1 322 . 1 1 44 44 PHE N N 15 118.2 0.2 . 1 . . . . . . . . 4701 1 323 . 1 1 45 45 GLY H H 1 8.09 0.05 . 1 . . . . . . . . 4701 1 324 . 1 1 45 45 GLY HA2 H 1 4.21 0.05 . 2 . . . . . . . . 4701 1 325 . 1 1 45 45 GLY HA3 H 1 3.74 0.05 . 2 . . . . . . . . 4701 1 326 . 1 1 45 45 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 4701 1 327 . 1 1 45 45 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4701 1 328 . 1 1 46 46 ARG H H 1 7.92 0.05 . 1 . . . . . . . . 4701 1 329 . 1 1 46 46 ARG HA H 1 4.70 0.05 . 1 . . . . . . . . 4701 1 330 . 1 1 46 46 ARG HB2 H 1 1.53 0.05 . 1 . . . . . . . . 4701 1 331 . 1 1 46 46 ARG HB3 H 1 1.53 0.05 . 1 . . . . . . . . 4701 1 332 . 1 1 46 46 ARG HD2 H 1 2.98 0.05 . 1 . . . . . . . . 4701 1 333 . 1 1 46 46 ARG HD3 H 1 2.98 0.05 . 1 . . . . . . . . 4701 1 334 . 1 1 46 46 ARG CA C 13 54.5 0.2 . 1 . . . . . . . . 4701 1 335 . 1 1 46 46 ARG N N 15 118.9 0.2 . 1 . . . . . . . . 4701 1 336 . 1 1 47 47 ARG H H 1 9.00 0.05 . 1 . . . . . . . . 4701 1 337 . 1 1 47 47 ARG N N 15 124.0 0.2 . 1 . . . . . . . . 4701 1 338 . 1 1 48 48 PRO HA H 1 4.01 0.05 . 1 . . . . . . . . 4701 1 339 . 1 1 48 48 PRO CA C 13 67.3 0.2 . 1 . . . . . . . . 4701 1 340 . 1 1 49 49 ILE H H 1 9.10 0.05 . 1 . . . . . . . . 4701 1 341 . 1 1 49 49 ILE HA H 1 4.04 0.05 . 1 . . . . . . . . 4701 1 342 . 1 1 49 49 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 343 . 1 1 49 49 ILE HG12 H 1 1.75 0.05 . 2 . . . . . . . . 4701 1 344 . 1 1 49 49 ILE HG13 H 1 1.07 0.05 . 2 . . . . . . . . 4701 1 345 . 1 1 49 49 ILE HG21 H 1 0.83 0.05 . 1 . . . . . . . . 4701 1 346 . 1 1 49 49 ILE HG22 H 1 0.83 0.05 . 1 . . . . . . . . 4701 1 347 . 1 1 49 49 ILE HG23 H 1 0.83 0.05 . 1 . . . . . . . . 4701 1 348 . 1 1 49 49 ILE HD11 H 1 0.79 0.05 . 1 . . . . . . . . 4701 1 349 . 1 1 49 49 ILE HD12 H 1 0.79 0.05 . 1 . . . . . . . . 4701 1 350 . 1 1 49 49 ILE HD13 H 1 0.79 0.05 . 1 . . . . . . . . 4701 1 351 . 1 1 49 49 ILE CA C 13 61.0 0.2 . 1 . . . . . . . . 4701 1 352 . 1 1 49 49 ILE CG1 C 13 29.6 0.2 . 1 . . . . . . . . 4701 1 353 . 1 1 49 49 ILE CG2 C 13 20.2 0.2 . 1 . . . . . . . . 4701 1 354 . 1 1 49 49 ILE CD1 C 13 16.2 0.2 . 1 . . . . . . . . 4701 1 355 . 1 1 49 49 ILE N N 15 115.2 0.2 . 1 . . . . . . . . 4701 1 356 . 1 1 50 50 GLN H H 1 7.62 0.05 . 1 . . . . . . . . 4701 1 357 . 1 1 50 50 GLN HA H 1 4.26 0.05 . 1 . . . . . . . . 4701 1 358 . 1 1 50 50 GLN CA C 13 57.4 0.2 . 1 . . . . . . . . 4701 1 359 . 1 1 50 50 GLN N N 15 114.3 0.2 . 1 . . . . . . . . 4701 1 360 . 1 1 51 51 VAL H H 1 7.18 0.05 . 1 . . . . . . . . 4701 1 361 . 1 1 51 51 VAL HA H 1 4.40 0.05 . 1 . . . . . . . . 4701 1 362 . 1 1 51 51 VAL HB H 1 2.39 0.05 . 1 . . . . . . . . 4701 1 363 . 1 1 51 51 VAL HG11 H 1 0.84 0.05 . 1 . . . . . . . . 4701 1 364 . 1 1 51 51 VAL HG12 H 1 0.84 0.05 . 1 . . . . . . . . 4701 1 365 . 1 1 51 51 VAL HG13 H 1 0.84 0.05 . 1 . . . . . . . . 4701 1 366 . 1 1 51 51 VAL HG21 H 1 0.75 0.05 . 1 . . . . . . . . 4701 1 367 . 1 1 51 51 VAL HG22 H 1 0.75 0.05 . 1 . . . . . . . . 4701 1 368 . 1 1 51 51 VAL HG23 H 1 0.75 0.05 . 1 . . . . . . . . 4701 1 369 . 1 1 51 51 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 4701 1 370 . 1 1 51 51 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 4701 1 371 . 1 1 51 51 VAL CG1 C 13 19.7 0.2 . 1 . . . . . . . . 4701 1 372 . 1 1 51 51 VAL CG2 C 13 22.5 0.2 . 1 . . . . . . . . 4701 1 373 . 1 1 51 51 VAL N N 15 109.9 0.2 . 1 . . . . . . . . 4701 1 374 . 1 1 52 52 MET H H 1 7.15 0.05 . 1 . . . . . . . . 4701 1 375 . 1 1 52 52 MET HA H 1 3.45 0.05 . 1 . . . . . . . . 4701 1 376 . 1 1 52 52 MET HG2 H 1 2.58 0.05 . 1 . . . . . . . . 4701 1 377 . 1 1 52 52 MET HG3 H 1 2.58 0.05 . 1 . . . . . . . . 4701 1 378 . 1 1 52 52 MET HE1 H 1 2.08 0.05 . 1 . . . . . . . . 4701 1 379 . 1 1 52 52 MET HE2 H 1 2.08 0.05 . 1 . . . . . . . . 4701 1 380 . 1 1 52 52 MET HE3 H 1 2.08 0.05 . 1 . . . . . . . . 4701 1 381 . 1 1 52 52 MET CA C 13 55.2 0.2 . 1 . . . . . . . . 4701 1 382 . 1 1 52 52 MET CE C 13 19.2 0.2 . 1 . . . . . . . . 4701 1 383 . 1 1 52 52 MET N N 15 118.3 0.2 . 1 . . . . . . . . 4701 1 384 . 1 1 53 53 MET H H 1 7.51 0.05 . 1 . . . . . . . . 4701 1 385 . 1 1 53 53 MET HA H 1 4.42 0.05 . 1 . . . . . . . . 4701 1 386 . 1 1 53 53 MET HB2 H 1 2.03 0.05 . 2 . . . . . . . . 4701 1 387 . 1 1 53 53 MET HB3 H 1 1.92 0.05 . 2 . . . . . . . . 4701 1 388 . 1 1 53 53 MET HG2 H 1 2.46 0.05 . 2 . . . . . . . . 4701 1 389 . 1 1 53 53 MET HG3 H 1 2.39 0.05 . 2 . . . . . . . . 4701 1 390 . 1 1 53 53 MET HE1 H 1 2.07 0.05 . 1 . . . . . . . . 4701 1 391 . 1 1 53 53 MET HE2 H 1 2.07 0.05 . 1 . . . . . . . . 4701 1 392 . 1 1 53 53 MET HE3 H 1 2.07 0.05 . 1 . . . . . . . . 4701 1 393 . 1 1 53 53 MET CB C 13 33.4 0.2 . 1 . . . . . . . . 4701 1 394 . 1 1 53 53 MET N N 15 123.5 0.2 . 1 . . . . . . . . 4701 1 395 . 1 1 54 54 MET H H 1 9.01 0.05 . 1 . . . . . . . . 4701 1 396 . 1 1 54 54 MET HA H 1 4.16 0.05 . 1 . . . . . . . . 4701 1 397 . 1 1 54 54 MET HB2 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 398 . 1 1 54 54 MET HB3 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 399 . 1 1 54 54 MET HG2 H 1 2.58 0.05 . 1 . . . . . . . . 4701 1 400 . 1 1 54 54 MET HG3 H 1 2.58 0.05 . 1 . . . . . . . . 4701 1 401 . 1 1 54 54 MET HE1 H 1 2.18 0.05 . 1 . . . . . . . . 4701 1 402 . 1 1 54 54 MET HE2 H 1 2.18 0.05 . 1 . . . . . . . . 4701 1 403 . 1 1 54 54 MET HE3 H 1 2.18 0.05 . 1 . . . . . . . . 4701 1 404 . 1 1 54 54 MET CA C 13 56.6 0.2 . 1 . . . . . . . . 4701 1 405 . 1 1 54 54 MET CB C 13 31.7 0.2 . 1 . . . . . . . . 4701 1 406 . 1 1 54 54 MET CE C 13 18.6 0.2 . 1 . . . . . . . . 4701 1 407 . 1 1 54 54 MET N N 15 131.0 0.2 . 1 . . . . . . . . 4701 1 408 . 1 1 55 55 GLY H H 1 7.68 0.05 . 1 . . . . . . . . 4701 1 409 . 1 1 55 55 GLY HA2 H 1 2.70 0.05 . 2 . . . . . . . . 4701 1 410 . 1 1 55 55 GLY HA3 H 1 2.57 0.05 . 2 . . . . . . . . 4701 1 411 . 1 1 55 55 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 4701 1 412 . 1 1 55 55 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 4701 1 413 . 1 1 56 56 SER H H 1 7.57 0.05 . 1 . . . . . . . . 4701 1 414 . 1 1 56 56 SER HA H 1 4.65 0.05 . 1 . . . . . . . . 4701 1 415 . 1 1 56 56 SER HB2 H 1 4.00 0.05 . 2 . . . . . . . . 4701 1 416 . 1 1 56 56 SER HB3 H 1 3.59 0.05 . 2 . . . . . . . . 4701 1 417 . 1 1 56 56 SER CA C 13 55.3 0.2 . 1 . . . . . . . . 4701 1 418 . 1 1 56 56 SER CB C 13 61.7 0.2 . 1 . . . . . . . . 4701 1 419 . 1 1 56 56 SER N N 15 116.9 0.2 . 1 . . . . . . . . 4701 1 420 . 1 1 57 57 ALA H H 1 8.22 0.05 . 1 . . . . . . . . 4701 1 421 . 1 1 57 57 ALA HA H 1 3.99 0.05 . 1 . . . . . . . . 4701 1 422 . 1 1 57 57 ALA HB1 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 423 . 1 1 57 57 ALA HB2 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 424 . 1 1 57 57 ALA HB3 H 1 1.23 0.05 . 1 . . . . . . . . 4701 1 425 . 1 1 57 57 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4701 1 426 . 1 1 57 57 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 4701 1 427 . 1 1 57 57 ALA N N 15 130.1 0.2 . 1 . . . . . . . . 4701 1 428 . 1 1 58 58 GLN H H 1 8.41 0.05 . 1 . . . . . . . . 4701 1 429 . 1 1 58 58 GLN HA H 1 4.11 0.05 . 1 . . . . . . . . 4701 1 430 . 1 1 58 58 GLN HB2 H 1 1.95 0.05 . 1 . . . . . . . . 4701 1 431 . 1 1 58 58 GLN HB3 H 1 1.95 0.05 . 1 . . . . . . . . 4701 1 432 . 1 1 58 58 GLN HG2 H 1 2.46 0.05 . 2 . . . . . . . . 4701 1 433 . 1 1 58 58 GLN HG3 H 1 2.40 0.05 . 2 . . . . . . . . 4701 1 434 . 1 1 58 58 GLN HE21 H 1 7.66 0.05 . 4 . . . . . . . . 4701 1 435 . 1 1 58 58 GLN HE22 H 1 6.96 0.05 . 4 . . . . . . . . 4701 1 436 . 1 1 58 58 GLN CA C 13 59.4 0.2 . 1 . . . . . . . . 4701 1 437 . 1 1 58 58 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 4701 1 438 . 1 1 58 58 GLN CG C 13 35.3 0.2 . 1 . . . . . . . . 4701 1 439 . 1 1 58 58 GLN N N 15 115.4 0.2 . 1 . . . . . . . . 4701 1 440 . 1 1 58 58 GLN NE2 N 15 113.3 0.2 . 1 . . . . . . . . 4701 1 441 . 1 1 59 59 VAL H H 1 7.59 0.05 . 1 . . . . . . . . 4701 1 442 . 1 1 59 59 VAL HA H 1 3.50 0.05 . 1 . . . . . . . . 4701 1 443 . 1 1 59 59 VAL HB H 1 2.40 0.05 . 1 . . . . . . . . 4701 1 444 . 1 1 59 59 VAL HG11 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 445 . 1 1 59 59 VAL HG12 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 446 . 1 1 59 59 VAL HG13 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 447 . 1 1 59 59 VAL HG21 H 1 0.96 0.05 . 1 . . . . . . . . 4701 1 448 . 1 1 59 59 VAL HG22 H 1 0.96 0.05 . 1 . . . . . . . . 4701 1 449 . 1 1 59 59 VAL HG23 H 1 0.96 0.05 . 1 . . . . . . . . 4701 1 450 . 1 1 59 59 VAL CA C 13 67.9 0.2 . 1 . . . . . . . . 4701 1 451 . 1 1 59 59 VAL CB C 13 31.2 0.2 . 1 . . . . . . . . 4701 1 452 . 1 1 59 59 VAL CG1 C 13 23.6 0.2 . 1 . . . . . . . . 4701 1 453 . 1 1 59 59 VAL CG2 C 13 25.2 0.2 . 1 . . . . . . . . 4701 1 454 . 1 1 59 59 VAL N N 15 120.1 0.2 . 1 . . . . . . . . 4701 1 455 . 1 1 60 60 ALA H H 1 7.26 0.05 . 1 . . . . . . . . 4701 1 456 . 1 1 60 60 ALA HA H 1 3.78 0.05 . 1 . . . . . . . . 4701 1 457 . 1 1 60 60 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 458 . 1 1 60 60 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 459 . 1 1 60 60 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 460 . 1 1 60 60 ALA CA C 13 56.3 0.2 . 1 . . . . . . . . 4701 1 461 . 1 1 60 60 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4701 1 462 . 1 1 60 60 ALA N N 15 122.0 0.2 . 1 . . . . . . . . 4701 1 463 . 1 1 61 61 GLU H H 1 8.58 0.05 . 1 . . . . . . . . 4701 1 464 . 1 1 61 61 GLU HA H 1 3.73 0.05 . 1 . . . . . . . . 4701 1 465 . 1 1 61 61 GLU HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4701 1 466 . 1 1 61 61 GLU HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4701 1 467 . 1 1 61 61 GLU HG2 H 1 2.33 0.05 . 2 . . . . . . . . 4701 1 468 . 1 1 61 61 GLU HG3 H 1 2.12 0.05 . 2 . . . . . . . . 4701 1 469 . 1 1 61 61 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 4701 1 470 . 1 1 61 61 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 4701 1 471 . 1 1 61 61 GLU CG C 13 37.2 0.2 . 1 . . . . . . . . 4701 1 472 . 1 1 61 61 GLU N N 15 116.9 0.2 . 1 . . . . . . . . 4701 1 473 . 1 1 62 62 LEU H H 1 7.80 0.05 . 1 . . . . . . . . 4701 1 474 . 1 1 62 62 LEU HA H 1 4.05 0.05 . 1 . . . . . . . . 4701 1 475 . 1 1 62 62 LEU HB2 H 1 1.91 0.05 . 1 . . . . . . . . 4701 1 476 . 1 1 62 62 LEU HB3 H 1 1.91 0.05 . 1 . . . . . . . . 4701 1 477 . 1 1 62 62 LEU HD11 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 478 . 1 1 62 62 LEU HD12 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 479 . 1 1 62 62 LEU HD13 H 1 0.90 0.05 . 4 . . . . . . . . 4701 1 480 . 1 1 62 62 LEU HD21 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 481 . 1 1 62 62 LEU HD22 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 482 . 1 1 62 62 LEU HD23 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 483 . 1 1 62 62 LEU CA C 13 58.4 0.2 . 1 . . . . . . . . 4701 1 484 . 1 1 62 62 LEU CD1 C 13 24.6 0.2 . 4 . . . . . . . . 4701 1 485 . 1 1 62 62 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 486 . 1 1 63 63 LEU H H 1 8.08 0.05 . 1 . . . . . . . . 4701 1 487 . 1 1 63 63 LEU HA H 1 3.81 0.05 . 1 . . . . . . . . 4701 1 488 . 1 1 63 63 LEU HD11 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 489 . 1 1 63 63 LEU HD12 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 490 . 1 1 63 63 LEU HD13 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 491 . 1 1 63 63 LEU HD21 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 492 . 1 1 63 63 LEU HD22 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 493 . 1 1 63 63 LEU HD23 H 1 0.78 0.05 . 1 . . . . . . . . 4701 1 494 . 1 1 63 63 LEU CA C 13 59.0 0.2 . 1 . . . . . . . . 4701 1 495 . 1 1 63 63 LEU N N 15 118.0 0.2 . 1 . . . . . . . . 4701 1 496 . 1 1 64 64 LEU H H 1 8.41 0.05 . 1 . . . . . . . . 4701 1 497 . 1 1 64 64 LEU HA H 1 4.02 0.05 . 1 . . . . . . . . 4701 1 498 . 1 1 64 64 LEU HB2 H 1 1.80 0.05 . 2 . . . . . . . . 4701 1 499 . 1 1 64 64 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 4701 1 500 . 1 1 64 64 LEU HD11 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 501 . 1 1 64 64 LEU HD12 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 502 . 1 1 64 64 LEU HD13 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 503 . 1 1 64 64 LEU HD21 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 504 . 1 1 64 64 LEU HD22 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 505 . 1 1 64 64 LEU HD23 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 506 . 1 1 64 64 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4701 1 507 . 1 1 64 64 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 508 . 1 1 65 65 LEU H H 1 8.72 0.05 . 1 . . . . . . . . 4701 1 509 . 1 1 65 65 LEU HA H 1 4.09 0.05 . 1 . . . . . . . . 4701 1 510 . 1 1 65 65 LEU HB2 H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 511 . 1 1 65 65 LEU HB3 H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 512 . 1 1 65 65 LEU HG H 1 1.36 0.05 . 1 . . . . . . . . 4701 1 513 . 1 1 65 65 LEU HD11 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 514 . 1 1 65 65 LEU HD12 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 515 . 1 1 65 65 LEU HD13 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 516 . 1 1 65 65 LEU HD21 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 517 . 1 1 65 65 LEU HD22 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 518 . 1 1 65 65 LEU HD23 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 519 . 1 1 65 65 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4701 1 520 . 1 1 65 65 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 4701 1 521 . 1 1 65 65 LEU N N 15 124.8 0.2 . 1 . . . . . . . . 4701 1 522 . 1 1 66 66 HIS H H 1 7.39 0.05 . 1 . . . . . . . . 4701 1 523 . 1 1 66 66 HIS HA H 1 4.45 0.05 . 1 . . . . . . . . 4701 1 524 . 1 1 66 66 HIS HB2 H 1 3.59 0.05 . 2 . . . . . . . . 4701 1 525 . 1 1 66 66 HIS HB3 H 1 2.85 0.05 . 2 . . . . . . . . 4701 1 526 . 1 1 66 66 HIS HE1 H 1 7.85 0.05 . 1 . . . . . . . . 4701 1 527 . 1 1 66 66 HIS CA C 13 57.5 0.2 . 1 . . . . . . . . 4701 1 528 . 1 1 66 66 HIS N N 15 114.9 0.2 . 1 . . . . . . . . 4701 1 529 . 1 1 67 67 GLY H H 1 7.69 0.05 . 1 . . . . . . . . 4701 1 530 . 1 1 67 67 GLY HA2 H 1 4.44 0.05 . 2 . . . . . . . . 4701 1 531 . 1 1 67 67 GLY HA3 H 1 3.80 0.05 . 2 . . . . . . . . 4701 1 532 . 1 1 67 67 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4701 1 533 . 1 1 67 67 GLY N N 15 106.0 0.2 . 1 . . . . . . . . 4701 1 534 . 1 1 68 68 ALA H H 1 8.64 0.05 . 1 . . . . . . . . 4701 1 535 . 1 1 68 68 ALA HA H 1 4.08 0.05 . 1 . . . . . . . . 4701 1 536 . 1 1 68 68 ALA HB1 H 1 1.06 0.05 . 1 . . . . . . . . 4701 1 537 . 1 1 68 68 ALA HB2 H 1 1.06 0.05 . 1 . . . . . . . . 4701 1 538 . 1 1 68 68 ALA HB3 H 1 1.06 0.05 . 1 . . . . . . . . 4701 1 539 . 1 1 68 68 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 4701 1 540 . 1 1 68 68 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 4701 1 541 . 1 1 68 68 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 4701 1 542 . 1 1 69 69 GLU H H 1 8.77 0.05 . 1 . . . . . . . . 4701 1 543 . 1 1 69 69 GLU HA H 1 4.83 0.05 . 1 . . . . . . . . 4701 1 544 . 1 1 69 69 GLU N N 15 126.5 0.2 . 1 . . . . . . . . 4701 1 545 . 1 1 70 70 PRO HA H 1 4.46 0.05 . 1 . . . . . . . . 4701 1 546 . 1 1 70 70 PRO HB2 H 1 2.29 0.05 . 2 . . . . . . . . 4701 1 547 . 1 1 70 70 PRO HB3 H 1 1.92 0.05 . 2 . . . . . . . . 4701 1 548 . 1 1 70 70 PRO HG2 H 1 2.01 0.05 . 1 . . . . . . . . 4701 1 549 . 1 1 70 70 PRO HG3 H 1 2.01 0.05 . 1 . . . . . . . . 4701 1 550 . 1 1 70 70 PRO HD2 H 1 3.82 0.05 . 2 . . . . . . . . 4701 1 551 . 1 1 70 70 PRO HD3 H 1 3.72 0.05 . 2 . . . . . . . . 4701 1 552 . 1 1 70 70 PRO CA C 13 63.8 0.2 . 1 . . . . . . . . 4701 1 553 . 1 1 70 70 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 4701 1 554 . 1 1 70 70 PRO CG C 13 27.9 0.2 . 1 . . . . . . . . 4701 1 555 . 1 1 70 70 PRO CD C 13 51.0 0.2 . 1 . . . . . . . . 4701 1 556 . 1 1 71 71 ASN H H 1 9.39 0.05 . 1 . . . . . . . . 4701 1 557 . 1 1 71 71 ASN HA H 1 4.86 0.05 . 1 . . . . . . . . 4701 1 558 . 1 1 71 71 ASN HB2 H 1 2.98 0.05 . 2 . . . . . . . . 4701 1 559 . 1 1 71 71 ASN HB3 H 1 2.80 0.05 . 2 . . . . . . . . 4701 1 560 . 1 1 71 71 ASN CA C 13 54.0 0.2 . 1 . . . . . . . . 4701 1 561 . 1 1 71 71 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 4701 1 562 . 1 1 71 71 ASN N N 15 120.9 0.2 . 1 . . . . . . . . 4701 1 563 . 1 1 72 72 CYS H H 1 7.25 0.05 . 1 . . . . . . . . 4701 1 564 . 1 1 72 72 CYS HA H 1 4.53 0.05 . 1 . . . . . . . . 4701 1 565 . 1 1 72 72 CYS HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4701 1 566 . 1 1 72 72 CYS HB3 H 1 2.71 0.05 . 2 . . . . . . . . 4701 1 567 . 1 1 72 72 CYS CA C 13 55.4 0.2 . 1 . . . . . . . . 4701 1 568 . 1 1 72 72 CYS CB C 13 29.0 0.2 . 1 . . . . . . . . 4701 1 569 . 1 1 72 72 CYS N N 15 117.9 0.2 . 1 . . . . . . . . 4701 1 570 . 1 1 73 73 ALA H H 1 8.19 0.05 . 1 . . . . . . . . 4701 1 571 . 1 1 73 73 ALA HA H 1 4.78 0.05 . 1 . . . . . . . . 4701 1 572 . 1 1 73 73 ALA HB1 H 1 1.03 0.05 . 1 . . . . . . . . 4701 1 573 . 1 1 73 73 ALA HB2 H 1 1.03 0.05 . 1 . . . . . . . . 4701 1 574 . 1 1 73 73 ALA HB3 H 1 1.03 0.05 . 1 . . . . . . . . 4701 1 575 . 1 1 73 73 ALA CA C 13 49.7 0.2 . 1 . . . . . . . . 4701 1 576 . 1 1 73 73 ALA CB C 13 22.1 0.2 . 1 . . . . . . . . 4701 1 577 . 1 1 73 73 ALA N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 578 . 1 1 74 74 ASP H H 1 8.11 0.05 . 1 . . . . . . . . 4701 1 579 . 1 1 74 74 ASP HA H 1 4.80 0.05 . 1 . . . . . . . . 4701 1 580 . 1 1 74 74 ASP HB2 H 1 2.92 0.05 . 2 . . . . . . . . 4701 1 581 . 1 1 74 74 ASP HB3 H 1 2.69 0.05 . 2 . . . . . . . . 4701 1 582 . 1 1 74 74 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 4701 1 583 . 1 1 74 74 ASP N N 15 125.0 0.2 . 1 . . . . . . . . 4701 1 584 . 1 1 75 75 PRO HA H 1 4.26 0.05 . 1 . . . . . . . . 4701 1 585 . 1 1 75 75 PRO HB2 H 1 2.25 0.05 . 2 . . . . . . . . 4701 1 586 . 1 1 75 75 PRO HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4701 1 587 . 1 1 75 75 PRO HG2 H 1 1.83 0.05 . 1 . . . . . . . . 4701 1 588 . 1 1 75 75 PRO HG3 H 1 1.83 0.05 . 1 . . . . . . . . 4701 1 589 . 1 1 75 75 PRO CA C 13 64.8 0.2 . 1 . . . . . . . . 4701 1 590 . 1 1 75 75 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4701 1 591 . 1 1 76 76 ALA H H 1 8.25 0.05 . 1 . . . . . . . . 4701 1 592 . 1 1 76 76 ALA HA H 1 4.40 0.05 . 1 . . . . . . . . 4701 1 593 . 1 1 76 76 ALA HB1 H 1 1.46 0.05 . 1 . . . . . . . . 4701 1 594 . 1 1 76 76 ALA HB2 H 1 1.46 0.05 . 1 . . . . . . . . 4701 1 595 . 1 1 76 76 ALA HB3 H 1 1.46 0.05 . 1 . . . . . . . . 4701 1 596 . 1 1 76 76 ALA CA C 13 54.2 0.2 . 1 . . . . . . . . 4701 1 597 . 1 1 76 76 ALA CB C 13 20.2 0.2 . 1 . . . . . . . . 4701 1 598 . 1 1 76 76 ALA N N 15 119.8 0.2 . 1 . . . . . . . . 4701 1 599 . 1 1 77 77 THR HA H 1 3.97 0.05 . 1 . . . . . . . . 4701 1 600 . 1 1 77 77 THR HB H 1 4.58 0.05 . 1 . . . . . . . . 4701 1 601 . 1 1 77 77 THR HG21 H 1 1.30 0.05 . 1 . . . . . . . . 4701 1 602 . 1 1 77 77 THR HG22 H 1 1.30 0.05 . 1 . . . . . . . . 4701 1 603 . 1 1 77 77 THR HG23 H 1 1.30 0.05 . 1 . . . . . . . . 4701 1 604 . 1 1 77 77 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4701 1 605 . 1 1 77 77 THR CB C 13 71.1 0.2 . 1 . . . . . . . . 4701 1 606 . 1 1 77 77 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 4701 1 607 . 1 1 78 78 LEU HA H 1 4.00 0.05 . 1 . . . . . . . . 4701 1 608 . 1 1 78 78 LEU HB2 H 1 1.74 0.05 . 1 . . . . . . . . 4701 1 609 . 1 1 78 78 LEU HB3 H 1 1.74 0.05 . 1 . . . . . . . . 4701 1 610 . 1 1 78 78 LEU HG H 1 1.37 0.05 . 1 . . . . . . . . 4701 1 611 . 1 1 78 78 LEU HD11 H 1 0.76 0.05 . 4 . . . . . . . . 4701 1 612 . 1 1 78 78 LEU HD12 H 1 0.76 0.05 . 4 . . . . . . . . 4701 1 613 . 1 1 78 78 LEU HD13 H 1 0.76 0.05 . 4 . . . . . . . . 4701 1 614 . 1 1 78 78 LEU HD21 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 615 . 1 1 78 78 LEU HD22 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 616 . 1 1 78 78 LEU HD23 H 1 0.70 0.05 . 4 . . . . . . . . 4701 1 617 . 1 1 78 78 LEU CA C 13 56.4 0.2 . 1 . . . . . . . . 4701 1 618 . 1 1 78 78 LEU CB C 13 40.0 0.2 . 1 . . . . . . . . 4701 1 619 . 1 1 78 78 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 4701 1 620 . 1 1 78 78 LEU CD1 C 13 23.0 0.2 . 4 . . . . . . . . 4701 1 621 . 1 1 78 78 LEU CD2 C 13 25.7 0.2 . 4 . . . . . . . . 4701 1 622 . 1 1 79 79 THR H H 1 7.78 0.05 . 1 . . . . . . . . 4701 1 623 . 1 1 79 79 THR HA H 1 3.82 0.05 . 1 . . . . . . . . 4701 1 624 . 1 1 79 79 THR HB H 1 3.99 0.05 . 1 . . . . . . . . 4701 1 625 . 1 1 79 79 THR HG21 H 1 1.34 0.05 . 1 . . . . . . . . 4701 1 626 . 1 1 79 79 THR HG22 H 1 1.34 0.05 . 1 . . . . . . . . 4701 1 627 . 1 1 79 79 THR HG23 H 1 1.34 0.05 . 1 . . . . . . . . 4701 1 628 . 1 1 79 79 THR CA C 13 64.7 0.2 . 1 . . . . . . . . 4701 1 629 . 1 1 79 79 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4701 1 630 . 1 1 79 79 THR CG2 C 13 23.0 0.2 . 1 . . . . . . . . 4701 1 631 . 1 1 79 79 THR N N 15 118.2 0.2 . 1 . . . . . . . . 4701 1 632 . 1 1 80 80 ARG H H 1 11.38 0.05 . 1 . . . . . . . . 4701 1 633 . 1 1 80 80 ARG HA H 1 5.50 0.05 . 1 . . . . . . . . 4701 1 634 . 1 1 80 80 ARG HD2 H 1 3.20 0.05 . 1 . . . . . . . . 4701 1 635 . 1 1 80 80 ARG HD3 H 1 3.20 0.05 . 1 . . . . . . . . 4701 1 636 . 1 1 80 80 ARG CA C 13 55.2 0.2 . 1 . . . . . . . . 4701 1 637 . 1 1 80 80 ARG N N 15 136.0 0.2 . 1 . . . . . . . . 4701 1 638 . 1 1 81 81 PRO HA H 1 4.66 0.05 . 1 . . . . . . . . 4701 1 639 . 1 1 81 81 PRO HB2 H 1 2.18 0.05 . 2 . . . . . . . . 4701 1 640 . 1 1 81 81 PRO HB3 H 1 1.87 0.05 . 2 . . . . . . . . 4701 1 641 . 1 1 81 81 PRO HG2 H 1 1.73 0.05 . 1 . . . . . . . . 4701 1 642 . 1 1 81 81 PRO HG3 H 1 1.73 0.05 . 1 . . . . . . . . 4701 1 643 . 1 1 81 81 PRO HD2 H 1 4.20 0.05 . 1 . . . . . . . . 4701 1 644 . 1 1 81 81 PRO HD3 H 1 4.20 0.05 . 1 . . . . . . . . 4701 1 645 . 1 1 81 81 PRO CA C 13 66.6 0.2 . 1 . . . . . . . . 4701 1 646 . 1 1 82 82 VAL H H 1 8.11 0.05 . 1 . . . . . . . . 4701 1 647 . 1 1 82 82 VAL HA H 1 3.71 0.05 . 1 . . . . . . . . 4701 1 648 . 1 1 82 82 VAL HB H 1 1.85 0.05 . 1 . . . . . . . . 4701 1 649 . 1 1 82 82 VAL HG11 H 1 0.94 0.05 . 5 . . . . . . . . 4701 1 650 . 1 1 82 82 VAL HG12 H 1 0.94 0.05 . 5 . . . . . . . . 4701 1 651 . 1 1 82 82 VAL HG13 H 1 0.94 0.05 . 5 . . . . . . . . 4701 1 652 . 1 1 82 82 VAL HG21 H 1 0.84 0.05 . 5 . . . . . . . . 4701 1 653 . 1 1 82 82 VAL HG22 H 1 0.84 0.05 . 5 . . . . . . . . 4701 1 654 . 1 1 82 82 VAL HG23 H 1 0.84 0.05 . 5 . . . . . . . . 4701 1 655 . 1 1 82 82 VAL CA C 13 65.5 0.2 . 1 . . . . . . . . 4701 1 656 . 1 1 83 83 HIS H H 1 7.80 0.05 . 1 . . . . . . . . 4701 1 657 . 1 1 83 83 HIS HA H 1 3.95 0.05 . 1 . . . . . . . . 4701 1 658 . 1 1 83 83 HIS HB2 H 1 3.23 0.05 . 1 . . . . . . . . 4701 1 659 . 1 1 83 83 HIS HB3 H 1 3.23 0.05 . 1 . . . . . . . . 4701 1 660 . 1 1 83 83 HIS HD2 H 1 6.57 0.05 . 1 . . . . . . . . 4701 1 661 . 1 1 83 83 HIS HE1 H 1 7.57 0.05 . 1 . . . . . . . . 4701 1 662 . 1 1 83 83 HIS CA C 13 64.0 0.2 . 1 . . . . . . . . 4701 1 663 . 1 1 83 83 HIS CB C 13 32.0 0.2 . 1 . . . . . . . . 4701 1 664 . 1 1 83 83 HIS N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 665 . 1 1 84 84 ASP H H 1 7.19 0.05 . 1 . . . . . . . . 4701 1 666 . 1 1 84 84 ASP HA H 1 4.60 0.05 . 1 . . . . . . . . 4701 1 667 . 1 1 84 84 ASP HB2 H 1 2.80 0.05 . 1 . . . . . . . . 4701 1 668 . 1 1 84 84 ASP HB3 H 1 2.80 0.05 . 1 . . . . . . . . 4701 1 669 . 1 1 84 84 ASP CA C 13 58.1 0.2 . 1 . . . . . . . . 4701 1 670 . 1 1 84 84 ASP CB C 13 41.6 0.2 . 1 . . . . . . . . 4701 1 671 . 1 1 84 84 ASP N N 15 118.4 0.2 . 1 . . . . . . . . 4701 1 672 . 1 1 85 85 ALA H H 1 8.75 0.05 . 1 . . . . . . . . 4701 1 673 . 1 1 85 85 ALA HA H 1 3.96 0.05 . 1 . . . . . . . . 4701 1 674 . 1 1 85 85 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 675 . 1 1 85 85 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 676 . 1 1 85 85 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4701 1 677 . 1 1 85 85 ALA CA C 13 56.4 0.2 . 1 . . . . . . . . 4701 1 678 . 1 1 85 85 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4701 1 679 . 1 1 85 85 ALA N N 15 121.9 0.2 . 1 . . . . . . . . 4701 1 680 . 1 1 86 86 ALA H H 1 7.64 0.05 . 1 . . . . . . . . 4701 1 681 . 1 1 86 86 ALA HA H 1 3.96 0.05 . 1 . . . . . . . . 4701 1 682 . 1 1 86 86 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 4701 1 683 . 1 1 86 86 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 4701 1 684 . 1 1 86 86 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 4701 1 685 . 1 1 86 86 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 4701 1 686 . 1 1 86 86 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 4701 1 687 . 1 1 86 86 ALA N N 15 118.2 0.2 . 1 . . . . . . . . 4701 1 688 . 1 1 87 87 ARG H H 1 8.51 0.05 . 1 . . . . . . . . 4701 1 689 . 1 1 87 87 ARG HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4701 1 690 . 1 1 87 87 ARG HB3 H 1 2.03 0.05 . 2 . . . . . . . . 4701 1 691 . 1 1 87 87 ARG CA C 13 59.4 0.2 . 1 . . . . . . . . 4701 1 692 . 1 1 87 87 ARG N N 15 117.2 0.2 . 1 . . . . . . . . 4701 1 693 . 1 1 88 88 GLU H H 1 8.26 0.05 . 1 . . . . . . . . 4701 1 694 . 1 1 88 88 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 4701 1 695 . 1 1 88 88 GLU HB2 H 1 2.53 0.05 . 2 . . . . . . . . 4701 1 696 . 1 1 88 88 GLU HB3 H 1 2.32 0.05 . 2 . . . . . . . . 4701 1 697 . 1 1 88 88 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 4701 1 698 . 1 1 88 88 GLU N N 15 114.3 0.2 . 1 . . . . . . . . 4701 1 699 . 1 1 89 89 GLY H H 1 7.00 0.05 . 1 . . . . . . . . 4701 1 700 . 1 1 89 89 GLY HA2 H 1 2.69 0.05 . 2 . . . . . . . . 4701 1 701 . 1 1 89 89 GLY HA3 H 1 2.55 0.05 . 2 . . . . . . . . 4701 1 702 . 1 1 89 89 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 4701 1 703 . 1 1 89 89 GLY N N 15 105.6 0.2 . 1 . . . . . . . . 4701 1 704 . 1 1 90 90 PHE H H 1 7.64 0.05 . 1 . . . . . . . . 4701 1 705 . 1 1 90 90 PHE HA H 1 4.95 0.05 . 1 . . . . . . . . 4701 1 706 . 1 1 90 90 PHE HB2 H 1 3.35 0.05 . 2 . . . . . . . . 4701 1 707 . 1 1 90 90 PHE HB3 H 1 2.52 0.05 . 2 . . . . . . . . 4701 1 708 . 1 1 90 90 PHE HD1 H 1 7.02 0.05 . 1 . . . . . . . . 4701 1 709 . 1 1 90 90 PHE HD2 H 1 7.02 0.05 . 1 . . . . . . . . 4701 1 710 . 1 1 90 90 PHE HE1 H 1 7.40 0.05 . 1 . . . . . . . . 4701 1 711 . 1 1 90 90 PHE HE2 H 1 7.40 0.05 . 1 . . . . . . . . 4701 1 712 . 1 1 90 90 PHE HZ H 1 7.30 0.05 . 1 . . . . . . . . 4701 1 713 . 1 1 90 90 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 4701 1 714 . 1 1 90 90 PHE N N 15 122.2 0.2 . 1 . . . . . . . . 4701 1 715 . 1 1 91 91 LEU H H 1 8.35 0.05 . 1 . . . . . . . . 4701 1 716 . 1 1 91 91 LEU HA H 1 3.68 0.05 . 1 . . . . . . . . 4701 1 717 . 1 1 91 91 LEU HB2 H 1 1.73 0.05 . 2 . . . . . . . . 4701 1 718 . 1 1 91 91 LEU HB3 H 1 1.33 0.05 . 2 . . . . . . . . 4701 1 719 . 1 1 91 91 LEU HG H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 720 . 1 1 91 91 LEU HD11 H 1 0.78 0.05 . 4 . . . . . . . . 4701 1 721 . 1 1 91 91 LEU HD12 H 1 0.78 0.05 . 4 . . . . . . . . 4701 1 722 . 1 1 91 91 LEU HD13 H 1 0.78 0.05 . 4 . . . . . . . . 4701 1 723 . 1 1 91 91 LEU HD21 H 1 0.48 0.05 . 4 . . . . . . . . 4701 1 724 . 1 1 91 91 LEU HD22 H 1 0.48 0.05 . 4 . . . . . . . . 4701 1 725 . 1 1 91 91 LEU HD23 H 1 0.48 0.05 . 4 . . . . . . . . 4701 1 726 . 1 1 91 91 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4701 1 727 . 1 1 91 91 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4701 1 728 . 1 1 91 91 LEU CD1 C 13 26.3 0.2 . 4 . . . . . . . . 4701 1 729 . 1 1 91 91 LEU CD2 C 13 23.0 0.2 . 4 . . . . . . . . 4701 1 730 . 1 1 91 91 LEU N N 15 128.2 0.2 . 1 . . . . . . . . 4701 1 731 . 1 1 92 92 ASP H H 1 8.78 0.05 . 1 . . . . . . . . 4701 1 732 . 1 1 92 92 ASP HA H 1 4.15 0.05 . 1 . . . . . . . . 4701 1 733 . 1 1 92 92 ASP HB2 H 1 2.76 0.05 . 2 . . . . . . . . 4701 1 734 . 1 1 92 92 ASP HB3 H 1 2.55 0.05 . 2 . . . . . . . . 4701 1 735 . 1 1 92 92 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 4701 1 736 . 1 1 92 92 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4701 1 737 . 1 1 92 92 ASP N N 15 117.2 0.2 . 1 . . . . . . . . 4701 1 738 . 1 1 93 93 THR H H 1 7.48 0.05 . 1 . . . . . . . . 4701 1 739 . 1 1 93 93 THR HA H 1 3.61 0.05 . 1 . . . . . . . . 4701 1 740 . 1 1 93 93 THR HB H 1 4.03 0.05 . 1 . . . . . . . . 4701 1 741 . 1 1 93 93 THR HG21 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 742 . 1 1 93 93 THR HG22 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 743 . 1 1 93 93 THR HG23 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 744 . 1 1 93 93 THR CA C 13 65.9 0.2 . 1 . . . . . . . . 4701 1 745 . 1 1 93 93 THR CG2 C 13 23.6 0.2 . 1 . . . . . . . . 4701 1 746 . 1 1 93 93 THR N N 15 118.3 0.2 . 1 . . . . . . . . 4701 1 747 . 1 1 94 94 LEU H H 1 7.75 0.05 . 1 . . . . . . . . 4701 1 748 . 1 1 94 94 LEU HD11 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 749 . 1 1 94 94 LEU HD12 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 750 . 1 1 94 94 LEU HD13 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 751 . 1 1 94 94 LEU CA C 13 58.8 0.2 . 1 . . . . . . . . 4701 1 752 . 1 1 94 94 LEU CD1 C 13 27.4 0.2 . 4 . . . . . . . . 4701 1 753 . 1 1 94 94 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 4701 1 754 . 1 1 95 95 VAL H H 1 8.59 0.05 . 1 . . . . . . . . 4701 1 755 . 1 1 95 95 VAL HA H 1 3.57 0.05 . 1 . . . . . . . . 4701 1 756 . 1 1 95 95 VAL HB H 1 1.96 0.05 . 1 . . . . . . . . 4701 1 757 . 1 1 95 95 VAL HG11 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 758 . 1 1 95 95 VAL HG12 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 759 . 1 1 95 95 VAL HG13 H 1 0.89 0.05 . 1 . . . . . . . . 4701 1 760 . 1 1 95 95 VAL HG21 H 1 0.54 0.05 . 1 . . . . . . . . 4701 1 761 . 1 1 95 95 VAL HG22 H 1 0.54 0.05 . 1 . . . . . . . . 4701 1 762 . 1 1 95 95 VAL HG23 H 1 0.54 0.05 . 1 . . . . . . . . 4701 1 763 . 1 1 95 95 VAL CA C 13 67.1 0.2 . 1 . . . . . . . . 4701 1 764 . 1 1 95 95 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4701 1 765 . 1 1 95 95 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 4701 1 766 . 1 1 95 95 VAL CG2 C 13 23.0 0.2 . 1 . . . . . . . . 4701 1 767 . 1 1 95 95 VAL N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 768 . 1 1 96 96 VAL H H 1 7.58 0.05 . 1 . . . . . . . . 4701 1 769 . 1 1 96 96 VAL HA H 1 3.65 0.05 . 1 . . . . . . . . 4701 1 770 . 1 1 96 96 VAL HB H 1 2.20 0.05 . 1 . . . . . . . . 4701 1 771 . 1 1 96 96 VAL HG11 H 1 0.90 0.05 . 1 . . . . . . . . 4701 1 772 . 1 1 96 96 VAL HG12 H 1 0.90 0.05 . 1 . . . . . . . . 4701 1 773 . 1 1 96 96 VAL HG13 H 1 0.90 0.05 . 1 . . . . . . . . 4701 1 774 . 1 1 96 96 VAL HG21 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 775 . 1 1 96 96 VAL HG22 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 776 . 1 1 96 96 VAL HG23 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 777 . 1 1 96 96 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 4701 1 778 . 1 1 96 96 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4701 1 779 . 1 1 96 96 VAL CG1 C 13 22.5 0.2 . 1 . . . . . . . . 4701 1 780 . 1 1 96 96 VAL CG2 C 13 23.0 0.2 . 1 . . . . . . . . 4701 1 781 . 1 1 96 96 VAL N N 15 119.3 0.2 . 1 . . . . . . . . 4701 1 782 . 1 1 97 97 LEU H H 1 8.05 0.05 . 1 . . . . . . . . 4701 1 783 . 1 1 97 97 LEU HA H 1 3.81 0.05 . 1 . . . . . . . . 4701 1 784 . 1 1 97 97 LEU HD11 H 1 0.64 0.05 . 4 . . . . . . . . 4701 1 785 . 1 1 97 97 LEU HD12 H 1 0.64 0.05 . 4 . . . . . . . . 4701 1 786 . 1 1 97 97 LEU HD13 H 1 0.64 0.05 . 4 . . . . . . . . 4701 1 787 . 1 1 97 97 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 4701 1 788 . 1 1 97 97 LEU CD1 C 13 26.8 0.2 . 4 . . . . . . . . 4701 1 789 . 1 1 97 97 LEU N N 15 120.6 0.2 . 1 . . . . . . . . 4701 1 790 . 1 1 98 98 HIS H H 1 9.04 0.05 . 1 . . . . . . . . 4701 1 791 . 1 1 98 98 HIS HA H 1 4.60 0.05 . 1 . . . . . . . . 4701 1 792 . 1 1 98 98 HIS HB2 H 1 3.58 0.05 . 2 . . . . . . . . 4701 1 793 . 1 1 98 98 HIS HB3 H 1 3.10 0.05 . 2 . . . . . . . . 4701 1 794 . 1 1 98 98 HIS HD2 H 1 7.38 0.05 . 1 . . . . . . . . 4701 1 795 . 1 1 98 98 HIS HE1 H 1 7.74 0.05 . 1 . . . . . . . . 4701 1 796 . 1 1 98 98 HIS CA C 13 58.4 0.2 . 1 . . . . . . . . 4701 1 797 . 1 1 98 98 HIS CB C 13 32.8 0.2 . 1 . . . . . . . . 4701 1 798 . 1 1 98 98 HIS N N 15 121.2 0.2 . 1 . . . . . . . . 4701 1 799 . 1 1 99 99 ARG H H 1 9.17 0.05 . 1 . . . . . . . . 4701 1 800 . 1 1 99 99 ARG HA H 1 3.80 0.05 . 1 . . . . . . . . 4701 1 801 . 1 1 99 99 ARG HB2 H 1 1.88 0.05 . 1 . . . . . . . . 4701 1 802 . 1 1 99 99 ARG HB3 H 1 1.88 0.05 . 1 . . . . . . . . 4701 1 803 . 1 1 99 99 ARG HG2 H 1 1.60 0.05 . 1 . . . . . . . . 4701 1 804 . 1 1 99 99 ARG HG3 H 1 1.60 0.05 . 1 . . . . . . . . 4701 1 805 . 1 1 99 99 ARG HD2 H 1 3.10 0.05 . 1 . . . . . . . . 4701 1 806 . 1 1 99 99 ARG HD3 H 1 3.10 0.05 . 1 . . . . . . . . 4701 1 807 . 1 1 99 99 ARG CA C 13 59.2 0.2 . 1 . . . . . . . . 4701 1 808 . 1 1 99 99 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 4701 1 809 . 1 1 99 99 ARG CD C 13 44.0 0.2 . 1 . . . . . . . . 4701 1 810 . 1 1 99 99 ARG N N 15 121.4 0.2 . 1 . . . . . . . . 4701 1 811 . 1 1 100 100 ALA H H 1 7.35 0.05 . 1 . . . . . . . . 4701 1 812 . 1 1 100 100 ALA HA H 1 4.45 0.05 . 1 . . . . . . . . 4701 1 813 . 1 1 100 100 ALA HB1 H 1 1.62 0.05 . 1 . . . . . . . . 4701 1 814 . 1 1 100 100 ALA HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4701 1 815 . 1 1 100 100 ALA HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4701 1 816 . 1 1 100 100 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 4701 1 817 . 1 1 100 100 ALA CB C 13 21.1 0.2 . 1 . . . . . . . . 4701 1 818 . 1 1 100 100 ALA N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 819 . 1 1 101 101 GLY H H 1 7.95 0.05 . 1 . . . . . . . . 4701 1 820 . 1 1 101 101 GLY HA2 H 1 4.42 0.05 . 2 . . . . . . . . 4701 1 821 . 1 1 101 101 GLY HA3 H 1 3.70 0.05 . 2 . . . . . . . . 4701 1 822 . 1 1 101 101 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4701 1 823 . 1 1 101 101 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 4701 1 824 . 1 1 102 102 ALA H H 1 8.41 0.05 . 1 . . . . . . . . 4701 1 825 . 1 1 102 102 ALA HA H 1 4.23 0.05 . 1 . . . . . . . . 4701 1 826 . 1 1 102 102 ALA HB1 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 827 . 1 1 102 102 ALA HB2 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 828 . 1 1 102 102 ALA HB3 H 1 1.11 0.05 . 1 . . . . . . . . 4701 1 829 . 1 1 102 102 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4701 1 830 . 1 1 102 102 ALA CB C 13 20.2 0.2 . 1 . . . . . . . . 4701 1 831 . 1 1 102 102 ALA N N 15 124.9 0.2 . 1 . . . . . . . . 4701 1 832 . 1 1 103 103 ARG H H 1 6.95 0.05 . 9 . . . . . . . . 4701 1 833 . 1 1 103 103 ARG HA H 1 4.28 0.05 . 1 . . . . . . . . 4701 1 834 . 1 1 103 103 ARG HB2 H 1 2.12 0.05 . 2 . . . . . . . . 4701 1 835 . 1 1 103 103 ARG HB3 H 1 1.82 0.05 . 2 . . . . . . . . 4701 1 836 . 1 1 103 103 ARG HG2 H 1 1.65 0.05 . 1 . . . . . . . . 4701 1 837 . 1 1 103 103 ARG HG3 H 1 1.65 0.05 . 1 . . . . . . . . 4701 1 838 . 1 1 103 103 ARG HD2 H 1 3.29 0.05 . 2 . . . . . . . . 4701 1 839 . 1 1 103 103 ARG HD3 H 1 3.07 0.05 . 2 . . . . . . . . 4701 1 840 . 1 1 103 103 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 4701 1 841 . 1 1 103 103 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 4701 1 842 . 1 1 103 103 ARG N N 15 118.9 0.2 . 9 . . . . . . . . 4701 1 843 . 1 1 104 104 LEU H H 1 9.10 0.05 . 1 . . . . . . . . 4701 1 844 . 1 1 104 104 LEU HA H 1 4.32 0.05 . 1 . . . . . . . . 4701 1 845 . 1 1 104 104 LEU HB2 H 1 1.48 0.05 . 2 . . . . . . . . 4701 1 846 . 1 1 104 104 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 4701 1 847 . 1 1 104 104 LEU HD11 H 1 0.50 0.05 . 4 . . . . . . . . 4701 1 848 . 1 1 104 104 LEU HD12 H 1 0.50 0.05 . 4 . . . . . . . . 4701 1 849 . 1 1 104 104 LEU HD13 H 1 0.50 0.05 . 4 . . . . . . . . 4701 1 850 . 1 1 104 104 LEU HD21 H 1 0.11 0.05 . 4 . . . . . . . . 4701 1 851 . 1 1 104 104 LEU HD22 H 1 0.11 0.05 . 4 . . . . . . . . 4701 1 852 . 1 1 104 104 LEU HD23 H 1 0.11 0.05 . 4 . . . . . . . . 4701 1 853 . 1 1 104 104 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 4701 1 854 . 1 1 104 104 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 4701 1 855 . 1 1 104 104 LEU CD1 C 13 22.3 0.2 . 4 . . . . . . . . 4701 1 856 . 1 1 104 104 LEU CD2 C 13 25.1 0.2 . 4 . . . . . . . . 4701 1 857 . 1 1 104 104 LEU N N 15 120.9 0.2 . 1 . . . . . . . . 4701 1 858 . 1 1 105 105 ASP H H 1 8.94 0.05 . 1 . . . . . . . . 4701 1 859 . 1 1 105 105 ASP HA H 1 4.63 0.05 . 1 . . . . . . . . 4701 1 860 . 1 1 105 105 ASP HB2 H 1 2.93 0.05 . 2 . . . . . . . . 4701 1 861 . 1 1 105 105 ASP HB3 H 1 2.40 0.05 . 2 . . . . . . . . 4701 1 862 . 1 1 105 105 ASP CA C 13 52.5 0.2 . 1 . . . . . . . . 4701 1 863 . 1 1 105 105 ASP CB C 13 39.5 0.2 . 1 . . . . . . . . 4701 1 864 . 1 1 105 105 ASP N N 15 119.6 0.2 . 1 . . . . . . . . 4701 1 865 . 1 1 106 106 VAL H H 1 7.05 0.05 . 1 . . . . . . . . 4701 1 866 . 1 1 106 106 VAL HA H 1 4.42 0.05 . 1 . . . . . . . . 4701 1 867 . 1 1 106 106 VAL HB H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 868 . 1 1 106 106 VAL HG11 H 1 0.88 0.05 . 1 . . . . . . . . 4701 1 869 . 1 1 106 106 VAL HG12 H 1 0.88 0.05 . 1 . . . . . . . . 4701 1 870 . 1 1 106 106 VAL HG13 H 1 0.88 0.05 . 1 . . . . . . . . 4701 1 871 . 1 1 106 106 VAL HG21 H 1 0.70 0.05 . 1 . . . . . . . . 4701 1 872 . 1 1 106 106 VAL HG22 H 1 0.70 0.05 . 1 . . . . . . . . 4701 1 873 . 1 1 106 106 VAL HG23 H 1 0.70 0.05 . 1 . . . . . . . . 4701 1 874 . 1 1 106 106 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 4701 1 875 . 1 1 106 106 VAL CB C 13 33.8 0.2 . 1 . . . . . . . . 4701 1 876 . 1 1 106 106 VAL CG2 C 13 18.9 0.2 . 1 . . . . . . . . 4701 1 877 . 1 1 106 106 VAL N N 15 114.1 0.2 . 1 . . . . . . . . 4701 1 878 . 1 1 107 107 CYS H H 1 8.60 0.05 . 1 . . . . . . . . 4701 1 879 . 1 1 107 107 CYS HA H 1 4.95 0.05 . 1 . . . . . . . . 4701 1 880 . 1 1 107 107 CYS HB2 H 1 2.80 0.05 . 2 . . . . . . . . 4701 1 881 . 1 1 107 107 CYS HB3 H 1 2.70 0.05 . 2 . . . . . . . . 4701 1 882 . 1 1 107 107 CYS CA C 13 58.4 0.2 . 1 . . . . . . . . 4701 1 883 . 1 1 107 107 CYS CB C 13 30.4 0.2 . 1 . . . . . . . . 4701 1 884 . 1 1 107 107 CYS N N 15 122.9 0.2 . 1 . . . . . . . . 4701 1 885 . 1 1 108 108 ASP H H 1 8.24 0.05 . 9 . . . . . . . . 4701 1 886 . 1 1 108 108 ASP HA H 1 4.56 0.05 . 9 . . . . . . . . 4701 1 887 . 1 1 108 108 ASP HB2 H 1 3.17 0.05 . 9 . . . . . . . . 4701 1 888 . 1 1 108 108 ASP HB3 H 1 3.17 0.05 . 9 . . . . . . . . 4701 1 889 . 1 1 108 108 ASP N N 15 122.7 0.2 . 9 . . . . . . . . 4701 1 890 . 1 1 109 109 ALA HA H 1 3.77 0.05 . 1 . . . . . . . . 4701 1 891 . 1 1 109 109 ALA HB1 H 1 0.49 0.05 . 1 . . . . . . . . 4701 1 892 . 1 1 109 109 ALA HB2 H 1 0.49 0.05 . 1 . . . . . . . . 4701 1 893 . 1 1 109 109 ALA HB3 H 1 0.49 0.05 . 1 . . . . . . . . 4701 1 894 . 1 1 109 109 ALA CA C 13 54.5 0.2 . 1 . . . . . . . . 4701 1 895 . 1 1 109 109 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4701 1 896 . 1 1 110 110 TRP H H 1 8.22 0.05 . 1 . . . . . . . . 4701 1 897 . 1 1 110 110 TRP HA H 1 4.62 0.05 . 1 . . . . . . . . 4701 1 898 . 1 1 110 110 TRP HB2 H 1 3.54 0.05 . 1 . . . . . . . . 4701 1 899 . 1 1 110 110 TRP HB3 H 1 3.54 0.05 . 1 . . . . . . . . 4701 1 900 . 1 1 110 110 TRP HE3 H 1 7.20 0.05 . 4 . . . . . . . . 4701 1 901 . 1 1 110 110 TRP HZ3 H 1 7.00 0.05 . 4 . . . . . . . . 4701 1 902 . 1 1 110 110 TRP HH2 H 1 7.42 0.05 . 4 . . . . . . . . 4701 1 903 . 1 1 110 110 TRP CA C 13 58.5 0.2 . 1 . . . . . . . . 4701 1 904 . 1 1 110 110 TRP CB C 13 29.0 0.2 . 1 . . . . . . . . 4701 1 905 . 1 1 110 110 TRP N N 15 118.9 0.2 . 1 . . . . . . . . 4701 1 906 . 1 1 111 111 GLY H H 1 8.55 0.05 . 1 . . . . . . . . 4701 1 907 . 1 1 111 111 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 4701 1 908 . 1 1 111 111 GLY N N 15 124.2 0.2 . 1 . . . . . . . . 4701 1 909 . 1 1 112 112 ARG H H 1 8.55 0.05 . 1 . . . . . . . . 4701 1 910 . 1 1 112 112 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 4701 1 911 . 1 1 112 112 ARG N N 15 124.2 0.2 . 1 . . . . . . . . 4701 1 912 . 1 1 113 113 LEU H H 1 9.90 0.05 . 1 . . . . . . . . 4701 1 913 . 1 1 113 113 LEU HA H 1 5.07 0.05 . 1 . . . . . . . . 4701 1 914 . 1 1 113 113 LEU HB2 H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 915 . 1 1 113 113 LEU HB3 H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 916 . 1 1 113 113 LEU HG H 1 1.80 0.05 . 1 . . . . . . . . 4701 1 917 . 1 1 113 113 LEU HD11 H 1 0.93 0.05 . 4 . . . . . . . . 4701 1 918 . 1 1 113 113 LEU HD12 H 1 0.93 0.05 . 4 . . . . . . . . 4701 1 919 . 1 1 113 113 LEU HD13 H 1 0.93 0.05 . 4 . . . . . . . . 4701 1 920 . 1 1 113 113 LEU HD21 H 1 0.82 0.05 . 4 . . . . . . . . 4701 1 921 . 1 1 113 113 LEU HD22 H 1 0.82 0.05 . 4 . . . . . . . . 4701 1 922 . 1 1 113 113 LEU HD23 H 1 0.82 0.05 . 4 . . . . . . . . 4701 1 923 . 1 1 113 113 LEU CA C 13 53.6 0.2 . 1 . . . . . . . . 4701 1 924 . 1 1 113 113 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 4701 1 925 . 1 1 113 113 LEU CD1 C 13 26.3 0.2 . 4 . . . . . . . . 4701 1 926 . 1 1 113 113 LEU CD2 C 13 24.1 0.2 . 4 . . . . . . . . 4701 1 927 . 1 1 113 113 LEU N N 15 127.0 0.2 . 1 . . . . . . . . 4701 1 928 . 1 1 114 114 PRO HA H 1 4.10 0.05 . 1 . . . . . . . . 4701 1 929 . 1 1 114 114 PRO HB2 H 1 1.88 0.05 . 9 . . . . . . . . 4701 1 930 . 1 1 114 114 PRO HB3 H 1 1.88 0.05 . 9 . . . . . . . . 4701 1 931 . 1 1 114 114 PRO HD2 H 1 3.90 0.05 . 1 . . . . . . . . 4701 1 932 . 1 1 114 114 PRO HD3 H 1 3.90 0.05 . 1 . . . . . . . . 4701 1 933 . 1 1 114 114 PRO CA C 13 67.2 0.2 . 1 . . . . . . . . 4701 1 934 . 1 1 115 115 VAL H H 1 8.18 0.05 . 1 . . . . . . . . 4701 1 935 . 1 1 115 115 VAL HA H 1 3.62 0.05 . 1 . . . . . . . . 4701 1 936 . 1 1 115 115 VAL HB H 1 1.85 0.05 . 1 . . . . . . . . 4701 1 937 . 1 1 115 115 VAL HG11 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 938 . 1 1 115 115 VAL HG12 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 939 . 1 1 115 115 VAL HG13 H 1 0.80 0.05 . 1 . . . . . . . . 4701 1 940 . 1 1 115 115 VAL HG21 H 1 0.48 0.05 . 1 . . . . . . . . 4701 1 941 . 1 1 115 115 VAL HG22 H 1 0.48 0.05 . 1 . . . . . . . . 4701 1 942 . 1 1 115 115 VAL HG23 H 1 0.48 0.05 . 1 . . . . . . . . 4701 1 943 . 1 1 115 115 VAL CA C 13 65.3 0.2 . 1 . . . . . . . . 4701 1 944 . 1 1 115 115 VAL CB C 13 30.6 0.2 . 1 . . . . . . . . 4701 1 945 . 1 1 115 115 VAL CG2 C 13 23.0 0.2 . 1 . . . . . . . . 4701 1 946 . 1 1 115 115 VAL N N 15 115.0 0.2 . 1 . . . . . . . . 4701 1 947 . 1 1 116 116 ASP H H 1 7.03 0.05 . 1 . . . . . . . . 4701 1 948 . 1 1 116 116 ASP HA H 1 4.50 0.05 . 1 . . . . . . . . 4701 1 949 . 1 1 116 116 ASP HB2 H 1 2.94 0.05 . 2 . . . . . . . . 4701 1 950 . 1 1 116 116 ASP HB3 H 1 2.78 0.05 . 2 . . . . . . . . 4701 1 951 . 1 1 116 116 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 4701 1 952 . 1 1 116 116 ASP N N 15 122.7 0.2 . 1 . . . . . . . . 4701 1 953 . 1 1 117 117 LEU H H 1 7.34 0.05 . 1 . . . . . . . . 4701 1 954 . 1 1 117 117 LEU HA H 1 4.12 0.05 . 1 . . . . . . . . 4701 1 955 . 1 1 117 117 LEU HB2 H 1 1.81 0.05 . 1 . . . . . . . . 4701 1 956 . 1 1 117 117 LEU HB3 H 1 1.81 0.05 . 1 . . . . . . . . 4701 1 957 . 1 1 117 117 LEU HD11 H 1 1.16 0.05 . 4 . . . . . . . . 4701 1 958 . 1 1 117 117 LEU HD12 H 1 1.16 0.05 . 4 . . . . . . . . 4701 1 959 . 1 1 117 117 LEU HD13 H 1 1.16 0.05 . 4 . . . . . . . . 4701 1 960 . 1 1 117 117 LEU HD21 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 961 . 1 1 117 117 LEU HD22 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 962 . 1 1 117 117 LEU HD23 H 1 0.80 0.05 . 4 . . . . . . . . 4701 1 963 . 1 1 117 117 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 4701 1 964 . 1 1 117 117 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4701 1 965 . 1 1 117 117 LEU CD1 C 13 27.9 0.2 . 4 . . . . . . . . 4701 1 966 . 1 1 117 117 LEU CD2 C 13 22.5 0.2 . 4 . . . . . . . . 4701 1 967 . 1 1 117 117 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 968 . 1 1 118 118 ALA H H 1 7.93 0.05 . 1 . . . . . . . . 4701 1 969 . 1 1 118 118 ALA HA H 1 4.12 0.05 . 1 . . . . . . . . 4701 1 970 . 1 1 118 118 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 4701 1 971 . 1 1 118 118 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 4701 1 972 . 1 1 118 118 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 4701 1 973 . 1 1 118 118 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 4701 1 974 . 1 1 118 118 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4701 1 975 . 1 1 118 118 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4701 1 976 . 1 1 119 119 GLU H H 1 8.39 0.05 . 1 . . . . . . . . 4701 1 977 . 1 1 119 119 GLU HA H 1 3.95 0.05 . 1 . . . . . . . . 4701 1 978 . 1 1 119 119 GLU HB2 H 1 2.20 0.05 . 2 . . . . . . . . 4701 1 979 . 1 1 119 119 GLU HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4701 1 980 . 1 1 119 119 GLU HG2 H 1 2.60 0.05 . 2 . . . . . . . . 4701 1 981 . 1 1 119 119 GLU HG3 H 1 2.20 0.05 . 2 . . . . . . . . 4701 1 982 . 1 1 119 119 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 4701 1 983 . 1 1 119 119 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 4701 1 984 . 1 1 119 119 GLU CG C 13 38.3 0.2 . 1 . . . . . . . . 4701 1 985 . 1 1 119 119 GLU N N 15 117.5 0.2 . 1 . . . . . . . . 4701 1 986 . 1 1 120 120 GLU H H 1 8.18 0.05 . 1 . . . . . . . . 4701 1 987 . 1 1 120 120 GLU HA H 1 3.96 0.05 . 1 . . . . . . . . 4701 1 988 . 1 1 120 120 GLU HB2 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 989 . 1 1 120 120 GLU HB3 H 1 2.12 0.05 . 1 . . . . . . . . 4701 1 990 . 1 1 120 120 GLU HG2 H 1 2.30 0.05 . 2 . . . . . . . . 4701 1 991 . 1 1 120 120 GLU HG3 H 1 2.12 0.05 . 2 . . . . . . . . 4701 1 992 . 1 1 120 120 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4701 1 993 . 1 1 120 120 GLU CG C 13 36.7 0.2 . 1 . . . . . . . . 4701 1 994 . 1 1 120 120 GLU N N 15 122.1 0.2 . 1 . . . . . . . . 4701 1 995 . 1 1 121 121 GLN H H 1 7.40 0.05 . 1 . . . . . . . . 4701 1 996 . 1 1 121 121 GLN HA H 1 3.96 0.05 . 1 . . . . . . . . 4701 1 997 . 1 1 121 121 GLN CA C 13 54.8 0.2 . 1 . . . . . . . . 4701 1 998 . 1 1 121 121 GLN N N 15 113.6 0.2 . 1 . . . . . . . . 4701 1 999 . 1 1 122 122 GLY H H 1 7.44 0.05 . 1 . . . . . . . . 4701 1 1000 . 1 1 122 122 GLY HA2 H 1 3.96 0.05 . 2 . . . . . . . . 4701 1 1001 . 1 1 122 122 GLY HA3 H 1 3.72 0.05 . 2 . . . . . . . . 4701 1 1002 . 1 1 122 122 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 4701 1 1003 . 1 1 122 122 GLY N N 15 107.2 0.2 . 1 . . . . . . . . 4701 1 1004 . 1 1 123 123 HIS H H 1 8.10 0.05 . 1 . . . . . . . . 4701 1 1005 . 1 1 123 123 HIS HA H 1 5.18 0.05 . 1 . . . . . . . . 4701 1 1006 . 1 1 123 123 HIS HB2 H 1 3.14 0.05 . 2 . . . . . . . . 4701 1 1007 . 1 1 123 123 HIS HB3 H 1 3.07 0.05 . 2 . . . . . . . . 4701 1 1008 . 1 1 123 123 HIS HD2 H 1 7.46 0.05 . 1 . . . . . . . . 4701 1 1009 . 1 1 123 123 HIS CA C 13 53.5 0.2 . 1 . . . . . . . . 4701 1 1010 . 1 1 123 123 HIS CB C 13 29.6 0.2 . 1 . . . . . . . . 4701 1 1011 . 1 1 123 123 HIS N N 15 120.8 0.2 . 1 . . . . . . . . 4701 1 1012 . 1 1 124 124 ARG H H 1 8.18 0.05 . 1 . . . . . . . . 4701 1 1013 . 1 1 124 124 ARG HA H 1 3.95 0.05 . 1 . . . . . . . . 4701 1 1014 . 1 1 124 124 ARG CA C 13 59.7 0.2 . 1 . . . . . . . . 4701 1 1015 . 1 1 124 124 ARG N N 15 126.2 0.2 . 1 . . . . . . . . 4701 1 1016 . 1 1 125 125 ASP H H 1 8.93 0.05 . 1 . . . . . . . . 4701 1 1017 . 1 1 125 125 ASP HA H 1 4.45 0.05 . 1 . . . . . . . . 4701 1 1018 . 1 1 125 125 ASP HB2 H 1 2.72 0.05 . 1 . . . . . . . . 4701 1 1019 . 1 1 125 125 ASP HB3 H 1 2.72 0.05 . 1 . . . . . . . . 4701 1 1020 . 1 1 125 125 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4701 1 1021 . 1 1 125 125 ASP CB C 13 39.4 0.2 . 1 . . . . . . . . 4701 1 1022 . 1 1 125 125 ASP N N 15 120.4 0.2 . 1 . . . . . . . . 4701 1 1023 . 1 1 126 126 ILE H H 1 7.82 0.05 . 1 . . . . . . . . 4701 1 1024 . 1 1 126 126 ILE HA H 1 3.70 0.05 . 1 . . . . . . . . 4701 1 1025 . 1 1 126 126 ILE HB H 1 1.95 0.05 . 1 . . . . . . . . 4701 1 1026 . 1 1 126 126 ILE HG12 H 1 1.48 0.05 . 1 . . . . . . . . 4701 1 1027 . 1 1 126 126 ILE HG13 H 1 1.48 0.05 . 1 . . . . . . . . 4701 1 1028 . 1 1 126 126 ILE HG21 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 1029 . 1 1 126 126 ILE HG22 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 1030 . 1 1 126 126 ILE HG23 H 1 0.81 0.05 . 1 . . . . . . . . 4701 1 1031 . 1 1 126 126 ILE HD11 H 1 0.64 0.05 . 1 . . . . . . . . 4701 1 1032 . 1 1 126 126 ILE HD12 H 1 0.64 0.05 . 1 . . . . . . . . 4701 1 1033 . 1 1 126 126 ILE HD13 H 1 0.64 0.05 . 1 . . . . . . . . 4701 1 1034 . 1 1 126 126 ILE CA C 13 64.7 0.2 . 1 . . . . . . . . 4701 1 1035 . 1 1 126 126 ILE CB C 13 37.5 0.2 . 1 . . . . . . . . 4701 1 1036 . 1 1 126 126 ILE CD1 C 13 13.4 0.2 . 1 . . . . . . . . 4701 1 1037 . 1 1 126 126 ILE N N 15 122.8 0.2 . 1 . . . . . . . . 4701 1 1038 . 1 1 127 127 ALA H H 1 8.35 0.05 . 1 . . . . . . . . 4701 1 1039 . 1 1 127 127 ALA HA H 1 3.90 0.05 . 1 . . . . . . . . 4701 1 1040 . 1 1 127 127 ALA HB1 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 1041 . 1 1 127 127 ALA HB2 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 1042 . 1 1 127 127 ALA HB3 H 1 1.47 0.05 . 1 . . . . . . . . 4701 1 1043 . 1 1 127 127 ALA CA C 13 56.2 0.2 . 1 . . . . . . . . 4701 1 1044 . 1 1 127 127 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4701 1 1045 . 1 1 127 127 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 4701 1 1046 . 1 1 128 128 ARG H H 1 8.21 0.05 . 1 . . . . . . . . 4701 1 1047 . 1 1 128 128 ARG HA H 1 4.09 0.05 . 1 . . . . . . . . 4701 1 1048 . 1 1 128 128 ARG HB2 H 1 1.98 0.05 . 1 . . . . . . . . 4701 1 1049 . 1 1 128 128 ARG HB3 H 1 1.98 0.05 . 1 . . . . . . . . 4701 1 1050 . 1 1 128 128 ARG HG2 H 1 1.85 0.05 . 2 . . . . . . . . 4701 1 1051 . 1 1 128 128 ARG HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4701 1 1052 . 1 1 128 128 ARG HD2 H 1 3.24 0.05 . 1 . . . . . . . . 4701 1 1053 . 1 1 128 128 ARG HD3 H 1 3.24 0.05 . 1 . . . . . . . . 4701 1 1054 . 1 1 128 128 ARG CA C 13 59.0 0.2 . 1 . . . . . . . . 4701 1 1055 . 1 1 128 128 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 4701 1 1056 . 1 1 128 128 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 4701 1 1057 . 1 1 128 128 ARG N N 15 117.8 0.2 . 1 . . . . . . . . 4701 1 1058 . 1 1 129 129 TYR H H 1 7.71 0.05 . 1 . . . . . . . . 4701 1 1059 . 1 1 129 129 TYR HA H 1 4.03 0.05 . 1 . . . . . . . . 4701 1 1060 . 1 1 129 129 TYR HB2 H 1 3.20 0.05 . 2 . . . . . . . . 4701 1 1061 . 1 1 129 129 TYR HB3 H 1 3.08 0.05 . 2 . . . . . . . . 4701 1 1062 . 1 1 129 129 TYR HD1 H 1 6.82 0.05 . 1 . . . . . . . . 4701 1 1063 . 1 1 129 129 TYR HD2 H 1 6.82 0.05 . 1 . . . . . . . . 4701 1 1064 . 1 1 129 129 TYR HE1 H 1 6.58 0.05 . 1 . . . . . . . . 4701 1 1065 . 1 1 129 129 TYR HE2 H 1 6.58 0.05 . 1 . . . . . . . . 4701 1 1066 . 1 1 129 129 TYR CA C 13 62.1 0.2 . 1 . . . . . . . . 4701 1 1067 . 1 1 129 129 TYR CB C 13 38.3 0.2 . 1 . . . . . . . . 4701 1 1068 . 1 1 129 129 TYR N N 15 121.5 0.2 . 1 . . . . . . . . 4701 1 1069 . 1 1 130 130 LEU H H 1 8.56 0.05 . 1 . . . . . . . . 4701 1 1070 . 1 1 130 130 LEU HA H 1 3.78 0.05 . 1 . . . . . . . . 4701 1 1071 . 1 1 130 130 LEU HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4701 1 1072 . 1 1 130 130 LEU HB3 H 1 1.82 0.05 . 2 . . . . . . . . 4701 1 1073 . 1 1 130 130 LEU HD11 H 1 0.94 0.05 . 4 . . . . . . . . 4701 1 1074 . 1 1 130 130 LEU HD12 H 1 0.94 0.05 . 4 . . . . . . . . 4701 1 1075 . 1 1 130 130 LEU HD13 H 1 0.94 0.05 . 4 . . . . . . . . 4701 1 1076 . 1 1 130 130 LEU HD21 H 1 0.62 0.05 . 1 . . . . . . . . 4701 1 1077 . 1 1 130 130 LEU HD22 H 1 0.62 0.05 . 1 . . . . . . . . 4701 1 1078 . 1 1 130 130 LEU HD23 H 1 0.62 0.05 . 1 . . . . . . . . 4701 1 1079 . 1 1 130 130 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 4701 1 1080 . 1 1 130 130 LEU N N 15 120.0 0.2 . 1 . . . . . . . . 4701 1 1081 . 1 1 131 131 HIS H H 1 8.73 0.05 . 1 . . . . . . . . 4701 1 1082 . 1 1 131 131 HIS HA H 1 4.45 0.05 . 1 . . . . . . . . 4701 1 1083 . 1 1 131 131 HIS HB2 H 1 3.14 0.05 . 1 . . . . . . . . 4701 1 1084 . 1 1 131 131 HIS HB3 H 1 3.14 0.05 . 1 . . . . . . . . 4701 1 1085 . 1 1 131 131 HIS CA C 13 59.4 0.2 . 1 . . . . . . . . 4701 1 1086 . 1 1 131 131 HIS CB C 13 29.5 0.2 . 9 . . . . . . . . 4701 1 1087 . 1 1 131 131 HIS N N 15 118.7 0.2 . 1 . . . . . . . . 4701 1 1088 . 1 1 132 132 ALA H H 1 7.72 0.05 . 1 . . . . . . . . 4701 1 1089 . 1 1 132 132 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 4701 1 1090 . 1 1 132 132 ALA HB1 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 1091 . 1 1 132 132 ALA HB2 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 1092 . 1 1 132 132 ALA HB3 H 1 1.40 0.05 . 1 . . . . . . . . 4701 1 1093 . 1 1 132 132 ALA CA C 13 54.0 0.2 . 1 . . . . . . . . 4701 1 1094 . 1 1 132 132 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4701 1 1095 . 1 1 132 132 ALA N N 15 121.8 0.2 . 1 . . . . . . . . 4701 1 1096 . 1 1 133 133 ALA H H 1 7.77 0.05 . 1 . . . . . . . . 4701 1 1097 . 1 1 133 133 ALA HA H 1 4.12 0.05 . 1 . . . . . . . . 4701 1 1098 . 1 1 133 133 ALA HB1 H 1 1.08 0.05 . 1 . . . . . . . . 4701 1 1099 . 1 1 133 133 ALA HB2 H 1 1.08 0.05 . 1 . . . . . . . . 4701 1 1100 . 1 1 133 133 ALA HB3 H 1 1.08 0.05 . 1 . . . . . . . . 4701 1 1101 . 1 1 133 133 ALA CA C 13 53.8 0.2 . 1 . . . . . . . . 4701 1 1102 . 1 1 133 133 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 4701 1 1103 . 1 1 133 133 ALA N N 15 121.2 0.2 . 1 . . . . . . . . 4701 1 1104 . 1 1 134 134 THR H H 1 7.72 0.05 . 1 . . . . . . . . 4701 1 1105 . 1 1 134 134 THR HA H 1 4.36 0.05 . 1 . . . . . . . . 4701 1 1106 . 1 1 134 134 THR HB H 1 4.38 0.05 . 1 . . . . . . . . 4701 1 1107 . 1 1 134 134 THR HG21 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 1108 . 1 1 134 134 THR HG22 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 1109 . 1 1 134 134 THR HG23 H 1 1.10 0.05 . 1 . . . . . . . . 4701 1 1110 . 1 1 134 134 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 4701 1 1111 . 1 1 134 134 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 4701 1 1112 . 1 1 134 134 THR CG2 C 13 21.9 0.2 . 1 . . . . . . . . 4701 1 1113 . 1 1 134 134 THR N N 15 109.2 0.2 . 1 . . . . . . . . 4701 1 1114 . 1 1 135 135 GLY H H 1 7.92 0.05 . 1 . . . . . . . . 4701 1 1115 . 1 1 135 135 GLY HA2 H 1 4.05 0.05 . 2 . . . . . . . . 4701 1 1116 . 1 1 135 135 GLY HA3 H 1 3.91 0.05 . 2 . . . . . . . . 4701 1 1117 . 1 1 135 135 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 4701 1 1118 . 1 1 135 135 GLY N N 15 112.0 0.2 . 1 . . . . . . . . 4701 1 1119 . 1 1 136 136 ASP H H 1 7.99 0.05 . 1 . . . . . . . . 4701 1 1120 . 1 1 136 136 ASP HA H 1 4.42 0.05 . 1 . . . . . . . . 4701 1 1121 . 1 1 136 136 ASP HB2 H 1 2.65 0.05 . 2 . . . . . . . . 4701 1 1122 . 1 1 136 136 ASP HB3 H 1 2.55 0.05 . 2 . . . . . . . . 4701 1 1123 . 1 1 136 136 ASP CA C 13 55.5 0.2 . 1 . . . . . . . . 4701 1 1124 . 1 1 136 136 ASP CB C 13 42.1 0.2 . 1 . . . . . . . . 4701 1 1125 . 1 1 136 136 ASP N N 15 126.9 0.2 . 1 . . . . . . . . 4701 1 stop_ save_