data_15644 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15644 _Entry.Title ; 1H, 15N and 13C chemical shift assignments for Rds3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-31 _Entry.Accession_date 2008-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nikolaus Loening . . . 15644 2 Anne-Marie 'van Roon' . . . 15644 3 Ji-Chun Yang . . . 15644 4 Kiyoshi Nagai . . . 15644 5 David Neuhaus . . . 15644 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15644 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'topological knot' . 15644 'zinc finger' . 15644 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15644 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 15644 '15N chemical shifts' 109 15644 '1H chemical shifts' 756 15644 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-01-31 update BMRB 'edit assembly name' 15644 1 . . 2008-07-28 2008-01-31 original author 'original release' 15644 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K0A 'BMRB Entry Tracking System' 15644 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15644 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18621724 _Citation.Full_citation . _Citation.Title 'Solution structure of the U2 snRNP protein Rds3p reveals a knotted zinc-finger motif' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 28 _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 9621 _Citation.Page_last 9626 _Citation.Year 2008 _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 Anne-Marie 'van Roon' . M. . 15644 1 2 Nikolaus Loening . M. . 15644 1 3 Eiji Obayashi . . . 15644 1 4 Ji-Chun Yang . . . 15644 1 5 Andrew Newman . J. . 15644 1 6 Helena Hernandez . . . 15644 1 7 Kiyoshi Nagai . . . 15644 1 8 David Neuhaus . . . 15644 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15644 _Assembly.ID 1 _Assembly.Name Rds3 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rds3 1 $Rds3p A . yes native no no . . . 15644 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 15644 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 15644 1 4 'ZINC ION_3' 2 $ZN D . no native no no . . . 15644 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 13 13 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 2 coordination single . 1 . 1 CYS 88 88 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 3 coordination single . 1 . 1 CYS 48 48 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 4 coordination single . 1 . 1 CYS 51 51 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 5 coordination single . 1 . 1 CYS 25 25 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 6 coordination single . 1 . 1 CYS 28 28 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 7 coordination single . 1 . 1 CYS 60 60 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 8 coordination single . 1 . 1 CYS 63 63 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 9 coordination single . 1 . 1 CYS 32 32 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 10 coordination single . 1 . 1 CYS 35 35 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 11 coordination single . 1 . 1 CYS 75 75 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 12 coordination single . 1 . 1 CYS 78 78 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 15644 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rds3p _Entity.Sf_category entity _Entity.Sf_framecode Rds3p _Entity.Entry_ID 15644 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rds3p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSSRHQFDLIMCLKQPGVQ TGLLCEKCDGKCPICDSYVR PKRKVRVCENCSFGKQAKNC IICNLNVGVNDAFYCWECCR LGKDKDGCPRILNLGSNRLD RHFEKKKKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1, G 0, G 1, S 2,S 107, V ; _Entity.Polymer_author_seq_details 'residues -1 to 1 (GGS) result from cleavage of an N-terminal GST fusion protein' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12353.605 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K0A . "1h, 15n And 13c Chemical Shift Assignments For Rds3 Protein" . . . . . 100.00 109 100.00 100.00 2.34e-71 . . . . 15644 1 2 no DBJ GAA27055 . "K7_Rds3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 3 no EMBL CAY87048 . "Rds3p [Saccharomyces cerevisiae EC1118]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 4 no GB AAB68140 . "Ypr094wp [Saccharomyces cerevisiae]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 5 no GB AAT93199 . "YPR094W [Saccharomyces cerevisiae]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 6 no GB AHY78252 . "Rds3p [Saccharomyces cerevisiae YJM993]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 7 no GB AJP42220 . "Rds3p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 8 no GB AJV91308 . "Rds3p [Saccharomyces cerevisiae YJM1460]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 9 no REF NP_015419 . "U2 snRNP complex subunit RDS3 [Saccharomyces cerevisiae S288c]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 10 no SP Q06835 . "RecName: Full=Pre-mRNA-splicing factor RDS3; AltName: Full=Regulator of drug sensitivity 3" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 11 no TPG DAA11509 . "TPA: U2 snRNP complex subunit RDS3 [Saccharomyces cerevisiae S288c]" . . . . . 97.25 107 100.00 100.00 3.78e-69 . . . . 15644 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 15644 1 2 0 GLY . 15644 1 3 1 SER . 15644 1 4 2 SER . 15644 1 5 3 ARG . 15644 1 6 4 HIS . 15644 1 7 5 GLN . 15644 1 8 6 PHE . 15644 1 9 7 ASP . 15644 1 10 8 LEU . 15644 1 11 9 ILE . 15644 1 12 10 MET . 15644 1 13 11 CYS . 15644 1 14 12 LEU . 15644 1 15 13 LYS . 15644 1 16 14 GLN . 15644 1 17 15 PRO . 15644 1 18 16 GLY . 15644 1 19 17 VAL . 15644 1 20 18 GLN . 15644 1 21 19 THR . 15644 1 22 20 GLY . 15644 1 23 21 LEU . 15644 1 24 22 LEU . 15644 1 25 23 CYS . 15644 1 26 24 GLU . 15644 1 27 25 LYS . 15644 1 28 26 CYS . 15644 1 29 27 ASP . 15644 1 30 28 GLY . 15644 1 31 29 LYS . 15644 1 32 30 CYS . 15644 1 33 31 PRO . 15644 1 34 32 ILE . 15644 1 35 33 CYS . 15644 1 36 34 ASP . 15644 1 37 35 SER . 15644 1 38 36 TYR . 15644 1 39 37 VAL . 15644 1 40 38 ARG . 15644 1 41 39 PRO . 15644 1 42 40 LYS . 15644 1 43 41 ARG . 15644 1 44 42 LYS . 15644 1 45 43 VAL . 15644 1 46 44 ARG . 15644 1 47 45 VAL . 15644 1 48 46 CYS . 15644 1 49 47 GLU . 15644 1 50 48 ASN . 15644 1 51 49 CYS . 15644 1 52 50 SER . 15644 1 53 51 PHE . 15644 1 54 52 GLY . 15644 1 55 53 LYS . 15644 1 56 54 GLN . 15644 1 57 55 ALA . 15644 1 58 56 LYS . 15644 1 59 57 ASN . 15644 1 60 58 CYS . 15644 1 61 59 ILE . 15644 1 62 60 ILE . 15644 1 63 61 CYS . 15644 1 64 62 ASN . 15644 1 65 63 LEU . 15644 1 66 64 ASN . 15644 1 67 65 VAL . 15644 1 68 66 GLY . 15644 1 69 67 VAL . 15644 1 70 68 ASN . 15644 1 71 69 ASP . 15644 1 72 70 ALA . 15644 1 73 71 PHE . 15644 1 74 72 TYR . 15644 1 75 73 CYS . 15644 1 76 74 TRP . 15644 1 77 75 GLU . 15644 1 78 76 CYS . 15644 1 79 77 CYS . 15644 1 80 78 ARG . 15644 1 81 79 LEU . 15644 1 82 80 GLY . 15644 1 83 81 LYS . 15644 1 84 82 ASP . 15644 1 85 83 LYS . 15644 1 86 84 ASP . 15644 1 87 85 GLY . 15644 1 88 86 CYS . 15644 1 89 87 PRO . 15644 1 90 88 ARG . 15644 1 91 89 ILE . 15644 1 92 90 LEU . 15644 1 93 91 ASN . 15644 1 94 92 LEU . 15644 1 95 93 GLY . 15644 1 96 94 SER . 15644 1 97 95 ASN . 15644 1 98 96 ARG . 15644 1 99 97 LEU . 15644 1 100 98 ASP . 15644 1 101 99 ARG . 15644 1 102 100 HIS . 15644 1 103 101 PHE . 15644 1 104 102 GLU . 15644 1 105 103 LYS . 15644 1 106 104 LYS . 15644 1 107 105 LYS . 15644 1 108 106 LYS . 15644 1 109 107 VAL . 15644 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 15644 1 . GLY 2 2 15644 1 . SER 3 3 15644 1 . SER 4 4 15644 1 . ARG 5 5 15644 1 . HIS 6 6 15644 1 . GLN 7 7 15644 1 . PHE 8 8 15644 1 . ASP 9 9 15644 1 . LEU 10 10 15644 1 . ILE 11 11 15644 1 . MET 12 12 15644 1 . CYS 13 13 15644 1 . LEU 14 14 15644 1 . LYS 15 15 15644 1 . GLN 16 16 15644 1 . PRO 17 17 15644 1 . GLY 18 18 15644 1 . VAL 19 19 15644 1 . GLN 20 20 15644 1 . THR 21 21 15644 1 . GLY 22 22 15644 1 . LEU 23 23 15644 1 . LEU 24 24 15644 1 . CYS 25 25 15644 1 . GLU 26 26 15644 1 . LYS 27 27 15644 1 . CYS 28 28 15644 1 . ASP 29 29 15644 1 . GLY 30 30 15644 1 . LYS 31 31 15644 1 . CYS 32 32 15644 1 . PRO 33 33 15644 1 . ILE 34 34 15644 1 . CYS 35 35 15644 1 . ASP 36 36 15644 1 . SER 37 37 15644 1 . TYR 38 38 15644 1 . VAL 39 39 15644 1 . ARG 40 40 15644 1 . PRO 41 41 15644 1 . LYS 42 42 15644 1 . ARG 43 43 15644 1 . LYS 44 44 15644 1 . VAL 45 45 15644 1 . ARG 46 46 15644 1 . VAL 47 47 15644 1 . CYS 48 48 15644 1 . GLU 49 49 15644 1 . ASN 50 50 15644 1 . CYS 51 51 15644 1 . SER 52 52 15644 1 . PHE 53 53 15644 1 . GLY 54 54 15644 1 . LYS 55 55 15644 1 . GLN 56 56 15644 1 . ALA 57 57 15644 1 . LYS 58 58 15644 1 . ASN 59 59 15644 1 . CYS 60 60 15644 1 . ILE 61 61 15644 1 . ILE 62 62 15644 1 . CYS 63 63 15644 1 . ASN 64 64 15644 1 . LEU 65 65 15644 1 . ASN 66 66 15644 1 . VAL 67 67 15644 1 . GLY 68 68 15644 1 . VAL 69 69 15644 1 . ASN 70 70 15644 1 . ASP 71 71 15644 1 . ALA 72 72 15644 1 . PHE 73 73 15644 1 . TYR 74 74 15644 1 . CYS 75 75 15644 1 . TRP 76 76 15644 1 . GLU 77 77 15644 1 . CYS 78 78 15644 1 . CYS 79 79 15644 1 . ARG 80 80 15644 1 . LEU 81 81 15644 1 . GLY 82 82 15644 1 . LYS 83 83 15644 1 . ASP 84 84 15644 1 . LYS 85 85 15644 1 . ASP 86 86 15644 1 . GLY 87 87 15644 1 . CYS 88 88 15644 1 . PRO 89 89 15644 1 . ARG 90 90 15644 1 . ILE 91 91 15644 1 . LEU 92 92 15644 1 . ASN 93 93 15644 1 . LEU 94 94 15644 1 . GLY 95 95 15644 1 . SER 96 96 15644 1 . ASN 97 97 15644 1 . ARG 98 98 15644 1 . LEU 99 99 15644 1 . ASP 100 100 15644 1 . ARG 101 101 15644 1 . HIS 102 102 15644 1 . PHE 103 103 15644 1 . GLU 104 104 15644 1 . LYS 105 105 15644 1 . LYS 106 106 15644 1 . LYS 107 107 15644 1 . LYS 108 108 15644 1 . VAL 109 109 15644 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15644 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15644 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15644 _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 $Rds3p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Rds3 . . . . 15644 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 15644 _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 $Rds3p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pRK172 . . . 'Protein was expressed as an N-terminal Glutathione-S-transferase fusion protein' . . 15644 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15644 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15644 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15644 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15644 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15644 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15644 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15644 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15644 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rds3p '[U-98% 15N]' 1 $assembly . . . . 350 . . uM . . . . 15644 1 2 'Tris buffer' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 15644 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15644 1 4 DTT '[U-99% 2H]' . . . . . . 1 . . mM . . . . 15644 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15644 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rds3p '[U-98% 13C; U-98% 15N]' 1 $assembly . . . . 700 . . uM . . . . 15644 2 2 'Tris buffer' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 15644 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15644 2 4 DTT '[U-99% 2H]' . . . . . . 1 . . mM . . . . 15644 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15644 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 15644 1 pH 7.0 . pH 15644 1 pressure 1 . atm 15644 1 temperature 300 . K 15644 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15644 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15644 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15644 1 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 15644 _Software.ID 2 _Software.Name CCPN_analysis _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15644 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15644 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15644 _Software.ID 3 _Software.Name ARIA _Software.Version 1.1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15644 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15644 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15644 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15644 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15644 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance_800 _NMR_spectrometer.Entry_ID 15644 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_DMX600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DMX600 _NMR_spectrometer.Entry_ID 15644 _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_DRX500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DRX500 _NMR_spectrometer.Entry_ID 15644 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15644 _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 'Avance 800' Bruker Avance . 800 . . . 15644 1 2 DMX600 Bruker DMX . 600 . . . 15644 1 3 DRX500 Bruker DRX . 500 . . . 15644 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 15644 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 2 '2D 15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 3 '2D 15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 4 '2D 15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 6 '2D 1H-13C HSQC full width' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 10 '2D 1H-1H NOESY filtered (15N coupled 1H removed from F2)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Avance_800 . . . . . . . . . . . . . . . . 15644 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 13 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 14 '3D HNHAHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 16 '3D H[C]CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 17 '3D [H]CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $DRX500 . . . . . . . . . . . . . . . . 15644 1 18 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $DMX600 . . . . . . . . . . . . . . . . 15644 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $DMX600 . . . . . . . . . . . . . . . . 15644 1 20 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $DMX600 . . . . . . . . . . . . . . . . 15644 1 21 '3D HACAHB-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $DMX600 . . . . . . . . . . . . . . . . 15644 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15644 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15644 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15644 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15644 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15644 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 15644 1 6 '2D 1H-13C HSQC full width' . . . 15644 1 7 '2D 1H-13C HSQC aromatic' . . . 15644 1 8 '2D 1H-13C HSQC aliphatic' . . . 15644 1 10 '2D 1H-1H NOESY filtered (15N coupled 1H removed from F2)' . . . 15644 1 11 '3D HNCACB' . . . 15644 1 12 '3D CBCA(CO)NH' . . . 15644 1 13 '3D HNCO' . . . 15644 1 14 '3D HNHAHB' . . . 15644 1 15 '3D HBHA(CO)NH' . . . 15644 1 16 '3D H[C]CH-TOCSY' . . . 15644 1 17 '3D [H]CCH-TOCSY' . . . 15644 1 18 '3D HNHB' . . . 15644 1 19 '3D 1H-15N NOESY' . . . 15644 1 20 '3D 1H-13C NOESY' . . . 15644 1 21 '3D HACAHB-COSY' . . . 15644 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.819 0.002 . 1 . . . . -1 GLY HA2 . 15644 1 2 . 1 1 1 1 GLY HA3 H 1 3.819 0.002 . 1 . . . . -1 GLY HA3 . 15644 1 3 . 1 1 1 1 GLY CA C 13 44.495 0.026 . 1 . . . . -1 GLY CA . 15644 1 4 . 1 1 2 2 GLY HA2 H 1 4.070 0.002 . 1 . . . . 0 GLY HA2 . 15644 1 5 . 1 1 2 2 GLY HA3 H 1 4.070 0.002 . 1 . . . . 0 GLY HA3 . 15644 1 6 . 1 1 2 2 GLY CA C 13 45.724 0.005 . 1 . . . . 0 GLY CA . 15644 1 7 . 1 1 3 3 SER HA H 1 4.474 0.002 . 1 . . . . 1 SER HA . 15644 1 8 . 1 1 3 3 SER HB2 H 1 3.867 0.001 . 2 . . . . 1 SER HB2 . 15644 1 9 . 1 1 3 3 SER HB3 H 1 3.905 0.002 . 2 . . . . 1 SER HB3 . 15644 1 10 . 1 1 3 3 SER CA C 13 59.017 0.023 . 1 . . . . 1 SER CA . 15644 1 11 . 1 1 3 3 SER CB C 13 64.192 0.017 . 1 . . . . 1 SER CB . 15644 1 12 . 1 1 4 4 SER HA H 1 4.540 0.008 . 1 . . . . 2 SER HA . 15644 1 13 . 1 1 4 4 SER HB2 H 1 3.866 0.004 . 2 . . . . 2 SER HB2 . 15644 1 14 . 1 1 4 4 SER HB3 H 1 3.923 0.009 . 2 . . . . 2 SER HB3 . 15644 1 15 . 1 1 4 4 SER CA C 13 58.720 0.112 . 1 . . . . 2 SER CA . 15644 1 16 . 1 1 4 4 SER CB C 13 64.364 0.060 . 1 . . . . 2 SER CB . 15644 1 17 . 1 1 5 5 ARG H H 1 8.345 0.004 . 1 . . . . 3 ARG H . 15644 1 18 . 1 1 5 5 ARG HA H 1 4.267 0.001 . 1 . . . . 3 ARG HA . 15644 1 19 . 1 1 5 5 ARG HB2 H 1 1.767 0.002 . 2 . . . . 3 ARG HB2 . 15644 1 20 . 1 1 5 5 ARG HB3 H 1 1.867 0.001 . 2 . . . . 3 ARG HB3 . 15644 1 21 . 1 1 5 5 ARG HD2 H 1 3.165 0.001 . 1 . . . . 3 ARG HD2 . 15644 1 22 . 1 1 5 5 ARG HD3 H 1 3.165 0.001 . 1 . . . . 3 ARG HD3 . 15644 1 23 . 1 1 5 5 ARG HG2 H 1 1.593 0.001 . 1 . . . . 3 ARG HG2 . 15644 1 24 . 1 1 5 5 ARG HG3 H 1 1.593 0.001 . 1 . . . . 3 ARG HG3 . 15644 1 25 . 1 1 5 5 ARG CA C 13 56.800 0.011 . 1 . . . . 3 ARG CA . 15644 1 26 . 1 1 5 5 ARG CB C 13 31.085 0.017 . 1 . . . . 3 ARG CB . 15644 1 27 . 1 1 5 5 ARG CD C 13 43.744 0.026 . 1 . . . . 3 ARG CD . 15644 1 28 . 1 1 5 5 ARG CG C 13 27.447 0.010 . 1 . . . . 3 ARG CG . 15644 1 29 . 1 1 5 5 ARG N N 15 122.270 0.015 . 1 . . . . 3 ARG N . 15644 1 30 . 1 1 6 6 HIS HA H 1 4.564 0.001 . 1 . . . . 4 HIS HA . 15644 1 31 . 1 1 6 6 HIS HB2 H 1 2.978 0.003 . 2 . . . . 4 HIS HB2 . 15644 1 32 . 1 1 6 6 HIS HB3 H 1 3.029 0.008 . 2 . . . . 4 HIS HB3 . 15644 1 33 . 1 1 6 6 HIS HD2 H 1 6.880 0.005 . 1 . . . . 4 HIS HD2 . 15644 1 34 . 1 1 6 6 HIS HE1 H 1 7.797 0.012 . 1 . . . . 4 HIS HE1 . 15644 1 35 . 1 1 6 6 HIS CA C 13 56.792 0.058 . 1 . . . . 4 HIS CA . 15644 1 36 . 1 1 6 6 HIS CB C 13 31.379 0.053 . 1 . . . . 4 HIS CB . 15644 1 37 . 1 1 6 6 HIS CD2 C 13 120.225 0.040 . 1 . . . . 4 HIS CD2 . 15644 1 38 . 1 1 6 6 HIS CE1 C 13 138.779 0.115 . 1 . . . . 4 HIS CE1 . 15644 1 39 . 1 1 7 7 GLN HA H 1 4.212 0.001 . 1 . . . . 5 GLN HA . 15644 1 40 . 1 1 7 7 GLN HB2 H 1 1.862 0.001 . 2 . . . . 5 GLN HB2 . 15644 1 41 . 1 1 7 7 GLN HB3 H 1 1.915 0.001 . 2 . . . . 5 GLN HB3 . 15644 1 42 . 1 1 7 7 GLN HE21 H 1 6.827 0.006 . 1 . . . . 5 GLN HE21 . 15644 1 43 . 1 1 7 7 GLN HE22 H 1 7.494 0.008 . 1 . . . . 5 GLN HE22 . 15644 1 44 . 1 1 7 7 GLN HG2 H 1 2.110 0.005 . 1 . . . . 5 GLN HG2 . 15644 1 45 . 1 1 7 7 GLN HG3 H 1 2.110 0.005 . 1 . . . . 5 GLN HG3 . 15644 1 46 . 1 1 7 7 GLN C C 13 173.244 0.000 . 1 . . . . 5 GLN C . 15644 1 47 . 1 1 7 7 GLN CA C 13 56.750 0.034 . 1 . . . . 5 GLN CA . 15644 1 48 . 1 1 7 7 GLN CB C 13 29.665 0.039 . 1 . . . . 5 GLN CB . 15644 1 49 . 1 1 7 7 GLN CD C 13 178.000 0.000 . 1 . . . . 5 GLN CD . 15644 1 50 . 1 1 7 7 GLN CG C 13 34.027 0.029 . 1 . . . . 5 GLN CG . 15644 1 51 . 1 1 7 7 GLN NE2 N 15 112.171 0.033 . 1 . . . . 5 GLN NE2 . 15644 1 52 . 1 1 8 8 PHE H H 1 8.195 0.012 . 1 . . . . 6 PHE H . 15644 1 53 . 1 1 8 8 PHE HA H 1 4.691 0.005 . 1 . . . . 6 PHE HA . 15644 1 54 . 1 1 8 8 PHE HB2 H 1 2.981 0.008 . 2 . . . . 6 PHE HB2 . 15644 1 55 . 1 1 8 8 PHE HB3 H 1 3.233 0.008 . 2 . . . . 6 PHE HB3 . 15644 1 56 . 1 1 8 8 PHE HD1 H 1 7.238 0.004 . 1 . . . . 6 PHE HD1 . 15644 1 57 . 1 1 8 8 PHE HD2 H 1 7.238 0.004 . 1 . . . . 6 PHE HD2 . 15644 1 58 . 1 1 8 8 PHE HE1 H 1 7.335 0.007 . 1 . . . . 6 PHE HE1 . 15644 1 59 . 1 1 8 8 PHE HE2 H 1 7.335 0.007 . 1 . . . . 6 PHE HE2 . 15644 1 60 . 1 1 8 8 PHE C C 13 172.791 0.000 . 1 . . . . 6 PHE C . 15644 1 61 . 1 1 8 8 PHE CA C 13 57.744 0.037 . 1 . . . . 6 PHE CA . 15644 1 62 . 1 1 8 8 PHE CB C 13 40.047 0.057 . 1 . . . . 6 PHE CB . 15644 1 63 . 1 1 8 8 PHE CD1 C 13 132.168 0.003 . 1 . . . . 6 PHE CD1 . 15644 1 64 . 1 1 8 8 PHE CD2 C 13 132.168 0.003 . 1 . . . . 6 PHE CD2 . 15644 1 65 . 1 1 8 8 PHE CE1 C 13 132.198 0.108 . 1 . . . . 6 PHE CE1 . 15644 1 66 . 1 1 8 8 PHE CE2 C 13 132.198 0.108 . 1 . . . . 6 PHE CE2 . 15644 1 67 . 1 1 8 8 PHE N N 15 119.374 0.054 . 1 . . . . 6 PHE N . 15644 1 68 . 1 1 9 9 ASP H H 1 8.303 0.004 . 1 . . . . 7 ASP H . 15644 1 69 . 1 1 9 9 ASP HA H 1 4.596 0.002 . 1 . . . . 7 ASP HA . 15644 1 70 . 1 1 9 9 ASP HB2 H 1 2.604 0.005 . 2 . . . . 7 ASP HB2 . 15644 1 71 . 1 1 9 9 ASP HB3 H 1 2.640 0.002 . 2 . . . . 7 ASP HB3 . 15644 1 72 . 1 1 9 9 ASP C C 13 173.081 0.000 . 1 . . . . 7 ASP C . 15644 1 73 . 1 1 9 9 ASP CA C 13 54.814 0.021 . 1 . . . . 7 ASP CA . 15644 1 74 . 1 1 9 9 ASP CB C 13 41.432 0.047 . 1 . . . . 7 ASP CB . 15644 1 75 . 1 1 9 9 ASP N N 15 120.228 0.038 . 1 . . . . 7 ASP N . 15644 1 76 . 1 1 10 10 LEU H H 1 7.953 0.006 . 1 . . . . 8 LEU H . 15644 1 77 . 1 1 10 10 LEU HA H 1 4.565 0.004 . 1 . . . . 8 LEU HA . 15644 1 78 . 1 1 10 10 LEU HB2 H 1 1.454 0.002 . 2 . . . . 8 LEU HB2 . 15644 1 79 . 1 1 10 10 LEU HB3 H 1 1.699 0.004 . 2 . . . . 8 LEU HB3 . 15644 1 80 . 1 1 10 10 LEU HD11 H 1 0.834 0.004 . 2 . . . . 8 LEU HD11 . 15644 1 81 . 1 1 10 10 LEU HD12 H 1 0.834 0.004 . 2 . . . . 8 LEU HD12 . 15644 1 82 . 1 1 10 10 LEU HD13 H 1 0.834 0.004 . 2 . . . . 8 LEU HD13 . 15644 1 83 . 1 1 10 10 LEU HD21 H 1 0.913 0.005 . 2 . . . . 8 LEU HD21 . 15644 1 84 . 1 1 10 10 LEU HD22 H 1 0.913 0.005 . 2 . . . . 8 LEU HD22 . 15644 1 85 . 1 1 10 10 LEU HD23 H 1 0.913 0.005 . 2 . . . . 8 LEU HD23 . 15644 1 86 . 1 1 10 10 LEU HG H 1 1.642 0.003 . 1 . . . . 8 LEU HG . 15644 1 87 . 1 1 10 10 LEU C C 13 174.291 0.000 . 1 . . . . 8 LEU C . 15644 1 88 . 1 1 10 10 LEU CA C 13 55.217 0.043 . 1 . . . . 8 LEU CA . 15644 1 89 . 1 1 10 10 LEU CB C 13 43.076 0.028 . 1 . . . . 8 LEU CB . 15644 1 90 . 1 1 10 10 LEU CD1 C 13 24.068 0.039 . 2 . . . . 8 LEU CD1 . 15644 1 91 . 1 1 10 10 LEU CD2 C 13 25.614 0.035 . 2 . . . . 8 LEU CD2 . 15644 1 92 . 1 1 10 10 LEU CG C 13 27.229 0.067 . 1 . . . . 8 LEU CG . 15644 1 93 . 1 1 10 10 LEU N N 15 121.389 0.042 . 1 . . . . 8 LEU N . 15644 1 94 . 1 1 11 11 ILE H H 1 8.553 0.008 . 1 . . . . 9 ILE H . 15644 1 95 . 1 1 11 11 ILE HA H 1 4.309 0.006 . 1 . . . . 9 ILE HA . 15644 1 96 . 1 1 11 11 ILE HB H 1 1.761 0.004 . 1 . . . . 9 ILE HB . 15644 1 97 . 1 1 11 11 ILE HD11 H 1 0.824 0.005 . 1 . . . . 9 ILE HD11 . 15644 1 98 . 1 1 11 11 ILE HD12 H 1 0.824 0.005 . 1 . . . . 9 ILE HD12 . 15644 1 99 . 1 1 11 11 ILE HD13 H 1 0.824 0.005 . 1 . . . . 9 ILE HD13 . 15644 1 100 . 1 1 11 11 ILE HG12 H 1 1.112 0.002 . 2 . . . . 9 ILE HG12 . 15644 1 101 . 1 1 11 11 ILE HG13 H 1 1.471 0.004 . 2 . . . . 9 ILE HG13 . 15644 1 102 . 1 1 11 11 ILE HG21 H 1 0.870 0.005 . 1 . . . . 9 ILE HG21 . 15644 1 103 . 1 1 11 11 ILE HG22 H 1 0.870 0.005 . 1 . . . . 9 ILE HG22 . 15644 1 104 . 1 1 11 11 ILE HG23 H 1 0.870 0.005 . 1 . . . . 9 ILE HG23 . 15644 1 105 . 1 1 11 11 ILE C C 13 172.143 0.000 . 1 . . . . 9 ILE C . 15644 1 106 . 1 1 11 11 ILE CA C 13 60.731 0.052 . 1 . . . . 9 ILE CA . 15644 1 107 . 1 1 11 11 ILE CB C 13 39.990 0.066 . 1 . . . . 9 ILE CB . 15644 1 108 . 1 1 11 11 ILE CD1 C 13 13.338 0.056 . 1 . . . . 9 ILE CD1 . 15644 1 109 . 1 1 11 11 ILE CG1 C 13 27.421 0.037 . 1 . . . . 9 ILE CG1 . 15644 1 110 . 1 1 11 11 ILE CG2 C 13 18.152 0.047 . 1 . . . . 9 ILE CG2 . 15644 1 111 . 1 1 11 11 ILE N N 15 122.868 0.062 . 1 . . . . 9 ILE N . 15644 1 112 . 1 1 12 12 MET H H 1 8.351 0.009 . 1 . . . . 10 MET H . 15644 1 113 . 1 1 12 12 MET HA H 1 4.926 0.004 . 1 . . . . 10 MET HA . 15644 1 114 . 1 1 12 12 MET HB2 H 1 1.957 0.013 . 1 . . . . 10 MET HB2 . 15644 1 115 . 1 1 12 12 MET HB3 H 1 1.807 0.012 . 1 . . . . 10 MET HB3 . 15644 1 116 . 1 1 12 12 MET HE1 H 1 2.129 0.005 . 1 . . . . 10 MET HE1 . 15644 1 117 . 1 1 12 12 MET HE2 H 1 2.129 0.005 . 1 . . . . 10 MET HE2 . 15644 1 118 . 1 1 12 12 MET HE3 H 1 2.129 0.005 . 1 . . . . 10 MET HE3 . 15644 1 119 . 1 1 12 12 MET HG2 H 1 2.438 0.006 . 2 . . . . 10 MET HG2 . 15644 1 120 . 1 1 12 12 MET HG3 H 1 2.548 0.021 . 2 . . . . 10 MET HG3 . 15644 1 121 . 1 1 12 12 MET C C 13 172.794 0.000 . 1 . . . . 10 MET C . 15644 1 122 . 1 1 12 12 MET CA C 13 55.343 0.043 . 1 . . . . 10 MET CA . 15644 1 123 . 1 1 12 12 MET CB C 13 35.708 0.088 . 1 . . . . 10 MET CB . 15644 1 124 . 1 1 12 12 MET CE C 13 17.807 0.025 . 1 . . . . 10 MET CE . 15644 1 125 . 1 1 12 12 MET CG C 13 33.638 0.047 . 1 . . . . 10 MET CG . 15644 1 126 . 1 1 12 12 MET N N 15 125.410 0.045 . 1 . . . . 10 MET N . 15644 1 127 . 1 1 13 13 CYS H H 1 8.767 0.008 . 1 . . . . 11 CYS H . 15644 1 128 . 1 1 13 13 CYS HA H 1 3.845 0.005 . 1 . . . . 11 CYS HA . 15644 1 129 . 1 1 13 13 CYS HB2 H 1 2.736 0.008 . 1 . . . . 11 CYS HB2 . 15644 1 130 . 1 1 13 13 CYS HB3 H 1 2.865 0.009 . 1 . . . . 11 CYS HB3 . 15644 1 131 . 1 1 13 13 CYS C C 13 174.118 0.000 . 1 . . . . 11 CYS C . 15644 1 132 . 1 1 13 13 CYS CA C 13 64.038 0.053 . 1 . . . . 11 CYS CA . 15644 1 133 . 1 1 13 13 CYS CB C 13 30.644 0.052 . 1 . . . . 11 CYS CB . 15644 1 134 . 1 1 13 13 CYS N N 15 125.735 0.057 . 1 . . . . 11 CYS N . 15644 1 135 . 1 1 14 14 LEU H H 1 9.516 0.003 . 1 . . . . 12 LEU H . 15644 1 136 . 1 1 14 14 LEU HA H 1 3.743 0.005 . 1 . . . . 12 LEU HA . 15644 1 137 . 1 1 14 14 LEU HB2 H 1 1.751 0.010 . 2 . . . . 12 LEU HB2 . 15644 1 138 . 1 1 14 14 LEU HB3 H 1 2.050 0.005 . 2 . . . . 12 LEU HB3 . 15644 1 139 . 1 1 14 14 LEU HD11 H 1 0.618 0.004 . 2 . . . . 12 LEU HD11 . 15644 1 140 . 1 1 14 14 LEU HD12 H 1 0.618 0.004 . 2 . . . . 12 LEU HD12 . 15644 1 141 . 1 1 14 14 LEU HD13 H 1 0.618 0.004 . 2 . . . . 12 LEU HD13 . 15644 1 142 . 1 1 14 14 LEU HD21 H 1 0.882 0.009 . 2 . . . . 12 LEU HD21 . 15644 1 143 . 1 1 14 14 LEU HD22 H 1 0.882 0.009 . 2 . . . . 12 LEU HD22 . 15644 1 144 . 1 1 14 14 LEU HD23 H 1 0.882 0.009 . 2 . . . . 12 LEU HD23 . 15644 1 145 . 1 1 14 14 LEU HG H 1 1.299 0.008 . 1 . . . . 12 LEU HG . 15644 1 146 . 1 1 14 14 LEU C C 13 174.104 0.000 . 1 . . . . 12 LEU C . 15644 1 147 . 1 1 14 14 LEU CA C 13 56.735 0.040 . 1 . . . . 12 LEU CA . 15644 1 148 . 1 1 14 14 LEU CB C 13 38.594 0.089 . 1 . . . . 12 LEU CB . 15644 1 149 . 1 1 14 14 LEU CD1 C 13 22.141 0.060 . 2 . . . . 12 LEU CD1 . 15644 1 150 . 1 1 14 14 LEU CD2 C 13 26.196 0.030 . 2 . . . . 12 LEU CD2 . 15644 1 151 . 1 1 14 14 LEU CG C 13 26.705 0.036 . 1 . . . . 12 LEU CG . 15644 1 152 . 1 1 14 14 LEU N N 15 108.037 0.035 . 1 . . . . 12 LEU N . 15644 1 153 . 1 1 15 15 LYS H H 1 8.550 0.003 . 1 . . . . 13 LYS H . 15644 1 154 . 1 1 15 15 LYS HA H 1 4.377 0.004 . 1 . . . . 13 LYS HA . 15644 1 155 . 1 1 15 15 LYS HB2 H 1 2.319 0.003 . 1 . . . . 13 LYS HB2 . 15644 1 156 . 1 1 15 15 LYS HB3 H 1 1.848 0.004 . 1 . . . . 13 LYS HB3 . 15644 1 157 . 1 1 15 15 LYS HD2 H 1 1.795 0.004 . 2 . . . . 13 LYS HD2 . 15644 1 158 . 1 1 15 15 LYS HD3 H 1 1.940 0.004 . 2 . . . . 13 LYS HD3 . 15644 1 159 . 1 1 15 15 LYS HE2 H 1 3.069 0.004 . 2 . . . . 13 LYS HE2 . 15644 1 160 . 1 1 15 15 LYS HE3 H 1 3.176 0.003 . 2 . . . . 13 LYS HE3 . 15644 1 161 . 1 1 15 15 LYS HG2 H 1 1.557 0.002 . 2 . . . . 13 LYS HG2 . 15644 1 162 . 1 1 15 15 LYS HG3 H 1 1.871 0.005 . 2 . . . . 13 LYS HG3 . 15644 1 163 . 1 1 15 15 LYS C C 13 174.026 0.000 . 1 . . . . 13 LYS C . 15644 1 164 . 1 1 15 15 LYS CA C 13 57.824 0.025 . 1 . . . . 13 LYS CA . 15644 1 165 . 1 1 15 15 LYS CB C 13 33.196 0.032 . 1 . . . . 13 LYS CB . 15644 1 166 . 1 1 15 15 LYS CD C 13 29.628 0.064 . 1 . . . . 13 LYS CD . 15644 1 167 . 1 1 15 15 LYS CE C 13 42.879 0.060 . 1 . . . . 13 LYS CE . 15644 1 168 . 1 1 15 15 LYS CG C 13 27.324 0.061 . 1 . . . . 13 LYS CG . 15644 1 169 . 1 1 15 15 LYS N N 15 121.981 0.053 . 1 . . . . 13 LYS N . 15644 1 170 . 1 1 16 16 GLN H H 1 8.389 0.006 . 1 . . . . 14 GLN H . 15644 1 171 . 1 1 16 16 GLN HA H 1 4.367 0.003 . 1 . . . . 14 GLN HA . 15644 1 172 . 1 1 16 16 GLN HB2 H 1 1.973 0.004 . 2 . . . . 14 GLN HB2 . 15644 1 173 . 1 1 16 16 GLN HB3 H 1 2.134 0.003 . 2 . . . . 14 GLN HB3 . 15644 1 174 . 1 1 16 16 GLN HE21 H 1 6.940 0.015 . 1 . . . . 14 GLN HE21 . 15644 1 175 . 1 1 16 16 GLN HE22 H 1 7.677 0.006 . 1 . . . . 14 GLN HE22 . 15644 1 176 . 1 1 16 16 GLN HG2 H 1 2.456 0.009 . 1 . . . . 14 GLN HG2 . 15644 1 177 . 1 1 16 16 GLN HG3 H 1 2.456 0.009 . 1 . . . . 14 GLN HG3 . 15644 1 178 . 1 1 16 16 GLN CA C 13 54.744 0.036 . 1 . . . . 14 GLN CA . 15644 1 179 . 1 1 16 16 GLN CB C 13 29.469 0.042 . 1 . . . . 14 GLN CB . 15644 1 180 . 1 1 16 16 GLN CD C 13 178.282 0.000 . 1 . . . . 14 GLN CD . 15644 1 181 . 1 1 16 16 GLN CG C 13 33.660 0.114 . 1 . . . . 14 GLN CG . 15644 1 182 . 1 1 16 16 GLN N N 15 120.607 0.069 . 1 . . . . 14 GLN N . 15644 1 183 . 1 1 16 16 GLN NE2 N 15 112.895 0.038 . 1 . . . . 14 GLN NE2 . 15644 1 184 . 1 1 17 17 PRO HA H 1 3.694 0.005 . 1 . . . . 15 PRO HA . 15644 1 185 . 1 1 17 17 PRO HB2 H 1 1.856 0.004 . 2 . . . . 15 PRO HB2 . 15644 1 186 . 1 1 17 17 PRO HB3 H 1 1.978 0.006 . 2 . . . . 15 PRO HB3 . 15644 1 187 . 1 1 17 17 PRO HD2 H 1 3.580 0.009 . 2 . . . . 15 PRO HD2 . 15644 1 188 . 1 1 17 17 PRO HD3 H 1 4.078 0.005 . 2 . . . . 15 PRO HD3 . 15644 1 189 . 1 1 17 17 PRO HG2 H 1 1.625 0.002 . 2 . . . . 15 PRO HG2 . 15644 1 190 . 1 1 17 17 PRO HG3 H 1 2.146 0.003 . 2 . . . . 15 PRO HG3 . 15644 1 191 . 1 1 17 17 PRO C C 13 174.130 0.000 . 1 . . . . 15 PRO C . 15644 1 192 . 1 1 17 17 PRO CA C 13 63.977 0.051 . 1 . . . . 15 PRO CA . 15644 1 193 . 1 1 17 17 PRO CB C 13 33.400 0.038 . 1 . . . . 15 PRO CB . 15644 1 194 . 1 1 17 17 PRO CD C 13 52.087 0.033 . 1 . . . . 15 PRO CD . 15644 1 195 . 1 1 17 17 PRO CG C 13 28.268 0.044 . 1 . . . . 15 PRO CG . 15644 1 196 . 1 1 18 18 GLY H H 1 8.263 0.007 . 1 . . . . 16 GLY H . 15644 1 197 . 1 1 18 18 GLY HA2 H 1 3.818 0.006 . 2 . . . . 16 GLY HA2 . 15644 1 198 . 1 1 18 18 GLY HA3 H 1 4.567 0.004 . 2 . . . . 16 GLY HA3 . 15644 1 199 . 1 1 18 18 GLY C C 13 171.611 0.000 . 1 . . . . 16 GLY C . 15644 1 200 . 1 1 18 18 GLY CA C 13 44.645 0.078 . 1 . . . . 16 GLY CA . 15644 1 201 . 1 1 18 18 GLY N N 15 113.422 0.047 . 1 . . . . 16 GLY N . 15644 1 202 . 1 1 19 19 VAL H H 1 8.229 0.008 . 1 . . . . 17 VAL H . 15644 1 203 . 1 1 19 19 VAL HA H 1 4.265 0.004 . 1 . . . . 17 VAL HA . 15644 1 204 . 1 1 19 19 VAL HB H 1 2.260 0.006 . 1 . . . . 17 VAL HB . 15644 1 205 . 1 1 19 19 VAL HG11 H 1 0.939 0.006 . 2 . . . . 17 VAL HG11 . 15644 1 206 . 1 1 19 19 VAL HG12 H 1 0.939 0.006 . 2 . . . . 17 VAL HG12 . 15644 1 207 . 1 1 19 19 VAL HG13 H 1 0.939 0.006 . 2 . . . . 17 VAL HG13 . 15644 1 208 . 1 1 19 19 VAL HG21 H 1 0.946 0.005 . 2 . . . . 17 VAL HG21 . 15644 1 209 . 1 1 19 19 VAL HG22 H 1 0.946 0.005 . 2 . . . . 17 VAL HG22 . 15644 1 210 . 1 1 19 19 VAL HG23 H 1 0.946 0.005 . 2 . . . . 17 VAL HG23 . 15644 1 211 . 1 1 19 19 VAL C C 13 175.020 0.000 . 1 . . . . 17 VAL C . 15644 1 212 . 1 1 19 19 VAL CA C 13 62.839 0.025 . 1 . . . . 17 VAL CA . 15644 1 213 . 1 1 19 19 VAL CB C 13 33.159 0.098 . 1 . . . . 17 VAL CB . 15644 1 214 . 1 1 19 19 VAL CG1 C 13 19.815 0.070 . 2 . . . . 17 VAL CG1 . 15644 1 215 . 1 1 19 19 VAL CG2 C 13 21.643 0.033 . 2 . . . . 17 VAL CG2 . 15644 1 216 . 1 1 19 19 VAL N N 15 116.014 0.051 . 1 . . . . 17 VAL N . 15644 1 217 . 1 1 20 20 GLN H H 1 8.635 0.009 . 1 . . . . 18 GLN H . 15644 1 218 . 1 1 20 20 GLN HA H 1 4.379 0.007 . 1 . . . . 18 GLN HA . 15644 1 219 . 1 1 20 20 GLN HB2 H 1 1.985 0.008 . 2 . . . . 18 GLN HB2 . 15644 1 220 . 1 1 20 20 GLN HB3 H 1 2.080 0.009 . 2 . . . . 18 GLN HB3 . 15644 1 221 . 1 1 20 20 GLN HE21 H 1 6.845 0.005 . 1 . . . . 18 GLN HE21 . 15644 1 222 . 1 1 20 20 GLN HE22 H 1 7.723 0.005 . 1 . . . . 18 GLN HE22 . 15644 1 223 . 1 1 20 20 GLN HG2 H 1 2.359 0.004 . 2 . . . . 18 GLN HG2 . 15644 1 224 . 1 1 20 20 GLN HG3 H 1 2.428 0.007 . 2 . . . . 18 GLN HG3 . 15644 1 225 . 1 1 20 20 GLN C C 13 173.148 0.000 . 1 . . . . 18 GLN C . 15644 1 226 . 1 1 20 20 GLN CA C 13 56.420 0.067 . 1 . . . . 18 GLN CA . 15644 1 227 . 1 1 20 20 GLN CB C 13 29.250 0.037 . 1 . . . . 18 GLN CB . 15644 1 228 . 1 1 20 20 GLN CD C 13 177.750 0.000 . 1 . . . . 18 GLN CD . 15644 1 229 . 1 1 20 20 GLN CG C 13 34.261 0.054 . 1 . . . . 18 GLN CG . 15644 1 230 . 1 1 20 20 GLN N N 15 122.628 0.050 . 1 . . . . 18 GLN N . 15644 1 231 . 1 1 20 20 GLN NE2 N 15 112.714 0.036 . 1 . . . . 18 GLN NE2 . 15644 1 232 . 1 1 21 21 THR H H 1 8.131 0.006 . 1 . . . . 19 THR H . 15644 1 233 . 1 1 21 21 THR HA H 1 4.997 0.005 . 1 . . . . 19 THR HA . 15644 1 234 . 1 1 21 21 THR HB H 1 4.185 0.004 . 1 . . . . 19 THR HB . 15644 1 235 . 1 1 21 21 THR HG21 H 1 1.170 0.005 . 1 . . . . 19 THR HG21 . 15644 1 236 . 1 1 21 21 THR HG22 H 1 1.170 0.005 . 1 . . . . 19 THR HG22 . 15644 1 237 . 1 1 21 21 THR HG23 H 1 1.170 0.005 . 1 . . . . 19 THR HG23 . 15644 1 238 . 1 1 21 21 THR C C 13 173.855 0.000 . 1 . . . . 19 THR C . 15644 1 239 . 1 1 21 21 THR CA C 13 61.375 0.107 . 1 . . . . 19 THR CA . 15644 1 240 . 1 1 21 21 THR CB C 13 70.256 0.026 . 1 . . . . 19 THR CB . 15644 1 241 . 1 1 21 21 THR CG2 C 13 23.140 0.050 . 1 . . . . 19 THR CG2 . 15644 1 242 . 1 1 21 21 THR N N 15 114.602 0.052 . 1 . . . . 19 THR N . 15644 1 243 . 1 1 22 22 GLY H H 1 7.993 0.006 . 1 . . . . 20 GLY H . 15644 1 244 . 1 1 22 22 GLY HA2 H 1 2.925 0.004 . 2 . . . . 20 GLY HA2 . 15644 1 245 . 1 1 22 22 GLY HA3 H 1 4.246 0.009 . 2 . . . . 20 GLY HA3 . 15644 1 246 . 1 1 22 22 GLY C C 13 168.535 0.000 . 1 . . . . 20 GLY C . 15644 1 247 . 1 1 22 22 GLY CA C 13 45.701 0.048 . 1 . . . . 20 GLY CA . 15644 1 248 . 1 1 22 22 GLY N N 15 107.620 0.051 . 1 . . . . 20 GLY N . 15644 1 249 . 1 1 23 23 LEU H H 1 8.499 0.004 . 1 . . . . 21 LEU H . 15644 1 250 . 1 1 23 23 LEU HA H 1 5.243 0.003 . 1 . . . . 21 LEU HA . 15644 1 251 . 1 1 23 23 LEU HB2 H 1 1.576 0.009 . 1 . . . . 21 LEU HB2 . 15644 1 252 . 1 1 23 23 LEU HB3 H 1 1.081 0.009 . 1 . . . . 21 LEU HB3 . 15644 1 253 . 1 1 23 23 LEU HD11 H 1 0.593 0.006 . 2 . . . . 21 LEU HD11 . 15644 1 254 . 1 1 23 23 LEU HD12 H 1 0.593 0.006 . 2 . . . . 21 LEU HD12 . 15644 1 255 . 1 1 23 23 LEU HD13 H 1 0.593 0.006 . 2 . . . . 21 LEU HD13 . 15644 1 256 . 1 1 23 23 LEU HD21 H 1 0.725 0.004 . 2 . . . . 21 LEU HD21 . 15644 1 257 . 1 1 23 23 LEU HD22 H 1 0.725 0.004 . 2 . . . . 21 LEU HD22 . 15644 1 258 . 1 1 23 23 LEU HD23 H 1 0.725 0.004 . 2 . . . . 21 LEU HD23 . 15644 1 259 . 1 1 23 23 LEU HG H 1 1.512 0.005 . 1 . . . . 21 LEU HG . 15644 1 260 . 1 1 23 23 LEU C C 13 173.640 0.000 . 1 . . . . 21 LEU C . 15644 1 261 . 1 1 23 23 LEU CA C 13 54.049 0.064 . 1 . . . . 21 LEU CA . 15644 1 262 . 1 1 23 23 LEU CB C 13 46.732 0.060 . 1 . . . . 21 LEU CB . 15644 1 263 . 1 1 23 23 LEU CD1 C 13 23.527 0.061 . 2 . . . . 21 LEU CD1 . 15644 1 264 . 1 1 23 23 LEU CD2 C 13 26.351 0.075 . 2 . . . . 21 LEU CD2 . 15644 1 265 . 1 1 23 23 LEU CG C 13 27.353 0.033 . 1 . . . . 21 LEU CG . 15644 1 266 . 1 1 23 23 LEU N N 15 122.320 0.054 . 1 . . . . 21 LEU N . 15644 1 267 . 1 1 24 24 LEU H H 1 9.291 0.004 . 1 . . . . 22 LEU H . 15644 1 268 . 1 1 24 24 LEU HA H 1 6.027 0.005 . 1 . . . . 22 LEU HA . 15644 1 269 . 1 1 24 24 LEU HB2 H 1 1.755 0.005 . 1 . . . . 22 LEU HB2 . 15644 1 270 . 1 1 24 24 LEU HB3 H 1 1.510 0.005 . 1 . . . . 22 LEU HB3 . 15644 1 271 . 1 1 24 24 LEU HD11 H 1 1.036 0.004 . 2 . . . . 22 LEU HD11 . 15644 1 272 . 1 1 24 24 LEU HD12 H 1 1.036 0.004 . 2 . . . . 22 LEU HD12 . 15644 1 273 . 1 1 24 24 LEU HD13 H 1 1.036 0.004 . 2 . . . . 22 LEU HD13 . 15644 1 274 . 1 1 24 24 LEU HD21 H 1 1.355 0.004 . 2 . . . . 22 LEU HD21 . 15644 1 275 . 1 1 24 24 LEU HD22 H 1 1.355 0.004 . 2 . . . . 22 LEU HD22 . 15644 1 276 . 1 1 24 24 LEU HD23 H 1 1.355 0.004 . 2 . . . . 22 LEU HD23 . 15644 1 277 . 1 1 24 24 LEU HG H 1 1.582 0.004 . 1 . . . . 22 LEU HG . 15644 1 278 . 1 1 24 24 LEU C C 13 177.023 0.000 . 1 . . . . 22 LEU C . 15644 1 279 . 1 1 24 24 LEU CA C 13 53.045 0.028 . 1 . . . . 22 LEU CA . 15644 1 280 . 1 1 24 24 LEU CB C 13 45.775 0.058 . 1 . . . . 22 LEU CB . 15644 1 281 . 1 1 24 24 LEU CD1 C 13 26.109 0.070 . 2 . . . . 22 LEU CD1 . 15644 1 282 . 1 1 24 24 LEU CD2 C 13 27.676 0.023 . 2 . . . . 22 LEU CD2 . 15644 1 283 . 1 1 24 24 LEU CG C 13 27.957 0.013 . 1 . . . . 22 LEU CG . 15644 1 284 . 1 1 24 24 LEU N N 15 116.227 0.051 . 1 . . . . 22 LEU N . 15644 1 285 . 1 1 25 25 CYS H H 1 9.602 0.005 . 1 . . . . 23 CYS H . 15644 1 286 . 1 1 25 25 CYS HA H 1 5.163 0.007 . 1 . . . . 23 CYS HA . 15644 1 287 . 1 1 25 25 CYS HB2 H 1 3.480 0.011 . 1 . . . . 23 CYS HB2 . 15644 1 288 . 1 1 25 25 CYS HB3 H 1 2.612 0.008 . 1 . . . . 23 CYS HB3 . 15644 1 289 . 1 1 25 25 CYS C C 13 172.349 0.000 . 1 . . . . 23 CYS C . 15644 1 290 . 1 1 25 25 CYS CA C 13 58.501 0.045 . 1 . . . . 23 CYS CA . 15644 1 291 . 1 1 25 25 CYS CB C 13 34.169 0.099 . 1 . . . . 23 CYS CB . 15644 1 292 . 1 1 25 25 CYS N N 15 122.821 0.051 . 1 . . . . 23 CYS N . 15644 1 293 . 1 1 26 26 GLU H H 1 9.010 0.005 . 1 . . . . 24 GLU H . 15644 1 294 . 1 1 26 26 GLU HA H 1 4.123 0.004 . 1 . . . . 24 GLU HA . 15644 1 295 . 1 1 26 26 GLU HB2 H 1 2.099 0.003 . 1 . . . . 24 GLU HB2 . 15644 1 296 . 1 1 26 26 GLU HB3 H 1 2.099 0.003 . 1 . . . . 24 GLU HB3 . 15644 1 297 . 1 1 26 26 GLU HG2 H 1 2.353 0.012 . 2 . . . . 24 GLU HG2 . 15644 1 298 . 1 1 26 26 GLU HG3 H 1 2.374 0.006 . 2 . . . . 24 GLU HG3 . 15644 1 299 . 1 1 26 26 GLU C C 13 175.791 0.000 . 1 . . . . 24 GLU C . 15644 1 300 . 1 1 26 26 GLU CA C 13 59.707 0.074 . 1 . . . . 24 GLU CA . 15644 1 301 . 1 1 26 26 GLU CB C 13 30.203 0.066 . 1 . . . . 24 GLU CB . 15644 1 302 . 1 1 26 26 GLU CG C 13 36.777 0.063 . 1 . . . . 24 GLU CG . 15644 1 303 . 1 1 26 26 GLU N N 15 115.925 0.063 . 1 . . . . 24 GLU N . 15644 1 304 . 1 1 27 27 LYS H H 1 8.397 0.006 . 1 . . . . 25 LYS H . 15644 1 305 . 1 1 27 27 LYS HA H 1 4.293 0.006 . 1 . . . . 25 LYS HA . 15644 1 306 . 1 1 27 27 LYS HB2 H 1 2.084 0.019 . 1 . . . . 25 LYS HB2 . 15644 1 307 . 1 1 27 27 LYS HB3 H 1 2.000 0.006 . 1 . . . . 25 LYS HB3 . 15644 1 308 . 1 1 27 27 LYS HD2 H 1 1.696 0.002 . 1 . . . . 25 LYS HD2 . 15644 1 309 . 1 1 27 27 LYS HD3 H 1 1.696 0.002 . 1 . . . . 25 LYS HD3 . 15644 1 310 . 1 1 27 27 LYS HE2 H 1 3.012 0.003 . 1 . . . . 25 LYS HE2 . 15644 1 311 . 1 1 27 27 LYS HE3 H 1 3.012 0.003 . 1 . . . . 25 LYS HE3 . 15644 1 312 . 1 1 27 27 LYS HG2 H 1 1.489 0.002 . 2 . . . . 25 LYS HG2 . 15644 1 313 . 1 1 27 27 LYS HG3 H 1 1.595 0.004 . 2 . . . . 25 LYS HG3 . 15644 1 314 . 1 1 27 27 LYS C C 13 177.210 0.000 . 1 . . . . 25 LYS C . 15644 1 315 . 1 1 27 27 LYS CA C 13 59.016 0.026 . 1 . . . . 25 LYS CA . 15644 1 316 . 1 1 27 27 LYS CB C 13 33.003 0.058 . 1 . . . . 25 LYS CB . 15644 1 317 . 1 1 27 27 LYS CD C 13 29.295 0.050 . 1 . . . . 25 LYS CD . 15644 1 318 . 1 1 27 27 LYS CE C 13 42.631 0.032 . 1 . . . . 25 LYS CE . 15644 1 319 . 1 1 27 27 LYS CG C 13 25.570 0.051 . 1 . . . . 25 LYS CG . 15644 1 320 . 1 1 27 27 LYS N N 15 119.763 0.078 . 1 . . . . 25 LYS N . 15644 1 321 . 1 1 28 28 CYS H H 1 8.296 0.004 . 1 . . . . 26 CYS H . 15644 1 322 . 1 1 28 28 CYS HA H 1 4.066 0.009 . 1 . . . . 26 CYS HA . 15644 1 323 . 1 1 28 28 CYS HB2 H 1 2.836 0.010 . 1 . . . . 26 CYS HB2 . 15644 1 324 . 1 1 28 28 CYS HB3 H 1 3.277 0.009 . 1 . . . . 26 CYS HB3 . 15644 1 325 . 1 1 28 28 CYS C C 13 170.858 0.000 . 1 . . . . 26 CYS C . 15644 1 326 . 1 1 28 28 CYS CA C 13 61.376 0.046 . 1 . . . . 26 CYS CA . 15644 1 327 . 1 1 28 28 CYS CB C 13 32.406 0.077 . 1 . . . . 26 CYS CB . 15644 1 328 . 1 1 28 28 CYS N N 15 124.293 0.052 . 1 . . . . 26 CYS N . 15644 1 329 . 1 1 29 29 ASP H H 1 7.182 0.004 . 1 . . . . 27 ASP H . 15644 1 330 . 1 1 29 29 ASP HA H 1 4.251 0.006 . 1 . . . . 27 ASP HA . 15644 1 331 . 1 1 29 29 ASP HB2 H 1 2.498 0.004 . 2 . . . . 27 ASP HB2 . 15644 1 332 . 1 1 29 29 ASP HB3 H 1 2.941 0.005 . 2 . . . . 27 ASP HB3 . 15644 1 333 . 1 1 29 29 ASP C C 13 174.879 0.000 . 1 . . . . 27 ASP C . 15644 1 334 . 1 1 29 29 ASP CA C 13 56.940 0.047 . 1 . . . . 27 ASP CA . 15644 1 335 . 1 1 29 29 ASP CB C 13 42.741 0.045 . 1 . . . . 27 ASP CB . 15644 1 336 . 1 1 29 29 ASP N N 15 116.346 0.058 . 1 . . . . 27 ASP N . 15644 1 337 . 1 1 30 30 GLY H H 1 7.917 0.004 . 1 . . . . 28 GLY H . 15644 1 338 . 1 1 30 30 GLY HA2 H 1 3.736 0.006 . 2 . . . . 28 GLY HA2 . 15644 1 339 . 1 1 30 30 GLY HA3 H 1 4.425 0.004 . 2 . . . . 28 GLY HA3 . 15644 1 340 . 1 1 30 30 GLY C C 13 170.984 0.000 . 1 . . . . 28 GLY C . 15644 1 341 . 1 1 30 30 GLY CA C 13 45.874 0.044 . 1 . . . . 28 GLY CA . 15644 1 342 . 1 1 30 30 GLY N N 15 114.024 0.051 . 1 . . . . 28 GLY N . 15644 1 343 . 1 1 31 31 LYS H H 1 7.529 0.004 . 1 . . . . 29 LYS H . 15644 1 344 . 1 1 31 31 LYS HA H 1 4.056 0.005 . 1 . . . . 29 LYS HA . 15644 1 345 . 1 1 31 31 LYS HB2 H 1 1.570 0.010 . 1 . . . . 29 LYS HB2 . 15644 1 346 . 1 1 31 31 LYS HB3 H 1 1.027 0.008 . 1 . . . . 29 LYS HB3 . 15644 1 347 . 1 1 31 31 LYS HD2 H 1 1.428 0.005 . 2 . . . . 29 LYS HD2 . 15644 1 348 . 1 1 31 31 LYS HD3 H 1 1.486 0.002 . 2 . . . . 29 LYS HD3 . 15644 1 349 . 1 1 31 31 LYS HE2 H 1 2.791 0.005 . 2 . . . . 29 LYS HE2 . 15644 1 350 . 1 1 31 31 LYS HE3 H 1 2.872 0.003 . 2 . . . . 29 LYS HE3 . 15644 1 351 . 1 1 31 31 LYS HG2 H 1 0.387 0.007 . 2 . . . . 29 LYS HG2 . 15644 1 352 . 1 1 31 31 LYS HG3 H 1 0.975 0.010 . 2 . . . . 29 LYS HG3 . 15644 1 353 . 1 1 31 31 LYS C C 13 173.790 0.000 . 1 . . . . 29 LYS C . 15644 1 354 . 1 1 31 31 LYS CA C 13 56.309 0.060 . 1 . . . . 29 LYS CA . 15644 1 355 . 1 1 31 31 LYS CB C 13 35.021 0.063 . 1 . . . . 29 LYS CB . 15644 1 356 . 1 1 31 31 LYS CD C 13 30.437 0.045 . 1 . . . . 29 LYS CD . 15644 1 357 . 1 1 31 31 LYS CE C 13 42.462 0.047 . 1 . . . . 29 LYS CE . 15644 1 358 . 1 1 31 31 LYS CG C 13 25.979 0.033 . 1 . . . . 29 LYS CG . 15644 1 359 . 1 1 31 31 LYS N N 15 118.780 0.045 . 1 . . . . 29 LYS N . 15644 1 360 . 1 1 32 32 CYS H H 1 8.015 0.005 . 1 . . . . 30 CYS H . 15644 1 361 . 1 1 32 32 CYS HA H 1 5.219 0.006 . 1 . . . . 30 CYS HA . 15644 1 362 . 1 1 32 32 CYS HB2 H 1 3.173 0.008 . 1 . . . . 30 CYS HB2 . 15644 1 363 . 1 1 32 32 CYS HB3 H 1 3.478 0.007 . 1 . . . . 30 CYS HB3 . 15644 1 364 . 1 1 32 32 CYS CA C 13 56.067 0.098 . 1 . . . . 30 CYS CA . 15644 1 365 . 1 1 32 32 CYS CB C 13 32.084 0.114 . 1 . . . . 30 CYS CB . 15644 1 366 . 1 1 32 32 CYS N N 15 125.245 0.044 . 1 . . . . 30 CYS N . 15644 1 367 . 1 1 33 33 PRO HA H 1 4.283 0.005 . 1 . . . . 31 PRO HA . 15644 1 368 . 1 1 33 33 PRO HB2 H 1 1.873 0.003 . 2 . . . . 31 PRO HB2 . 15644 1 369 . 1 1 33 33 PRO HB3 H 1 2.143 0.003 . 2 . . . . 31 PRO HB3 . 15644 1 370 . 1 1 33 33 PRO HD2 H 1 3.938 0.007 . 2 . . . . 31 PRO HD2 . 15644 1 371 . 1 1 33 33 PRO HD3 H 1 4.081 0.004 . 2 . . . . 31 PRO HD3 . 15644 1 372 . 1 1 33 33 PRO HG2 H 1 1.585 0.008 . 2 . . . . 31 PRO HG2 . 15644 1 373 . 1 1 33 33 PRO HG3 H 1 1.711 0.006 . 2 . . . . 31 PRO HG3 . 15644 1 374 . 1 1 33 33 PRO C C 13 173.729 0.000 . 1 . . . . 31 PRO C . 15644 1 375 . 1 1 33 33 PRO CA C 13 64.492 0.055 . 1 . . . . 31 PRO CA . 15644 1 376 . 1 1 33 33 PRO CB C 13 32.963 0.024 . 1 . . . . 31 PRO CB . 15644 1 377 . 1 1 33 33 PRO CD C 13 51.306 0.056 . 1 . . . . 31 PRO CD . 15644 1 378 . 1 1 33 33 PRO CG C 13 28.441 0.060 . 1 . . . . 31 PRO CG . 15644 1 379 . 1 1 34 34 ILE H H 1 8.621 0.004 . 1 . . . . 32 ILE H . 15644 1 380 . 1 1 34 34 ILE HA H 1 4.212 0.005 . 1 . . . . 32 ILE HA . 15644 1 381 . 1 1 34 34 ILE HB H 1 3.125 0.004 . 1 . . . . 32 ILE HB . 15644 1 382 . 1 1 34 34 ILE HD11 H 1 0.914 0.007 . 1 . . . . 32 ILE HD11 . 15644 1 383 . 1 1 34 34 ILE HD12 H 1 0.914 0.007 . 1 . . . . 32 ILE HD12 . 15644 1 384 . 1 1 34 34 ILE HD13 H 1 0.914 0.007 . 1 . . . . 32 ILE HD13 . 15644 1 385 . 1 1 34 34 ILE HG12 H 1 1.568 0.007 . 2 . . . . 32 ILE HG12 . 15644 1 386 . 1 1 34 34 ILE HG13 H 1 1.661 0.002 . 2 . . . . 32 ILE HG13 . 15644 1 387 . 1 1 34 34 ILE HG21 H 1 0.949 0.004 . 1 . . . . 32 ILE HG21 . 15644 1 388 . 1 1 34 34 ILE HG22 H 1 0.949 0.004 . 1 . . . . 32 ILE HG22 . 15644 1 389 . 1 1 34 34 ILE HG23 H 1 0.949 0.004 . 1 . . . . 32 ILE HG23 . 15644 1 390 . 1 1 34 34 ILE C C 13 175.384 0.000 . 1 . . . . 32 ILE C . 15644 1 391 . 1 1 34 34 ILE CA C 13 62.070 0.043 . 1 . . . . 32 ILE CA . 15644 1 392 . 1 1 34 34 ILE CB C 13 35.951 0.060 . 1 . . . . 32 ILE CB . 15644 1 393 . 1 1 34 34 ILE CD1 C 13 10.749 0.050 . 1 . . . . 32 ILE CD1 . 15644 1 394 . 1 1 34 34 ILE CG1 C 13 28.243 0.090 . 1 . . . . 32 ILE CG1 . 15644 1 395 . 1 1 34 34 ILE CG2 C 13 18.856 0.048 . 1 . . . . 32 ILE CG2 . 15644 1 396 . 1 1 34 34 ILE N N 15 118.061 0.042 . 1 . . . . 32 ILE N . 15644 1 397 . 1 1 35 35 CYS H H 1 7.656 0.004 . 1 . . . . 33 CYS H . 15644 1 398 . 1 1 35 35 CYS HA H 1 4.876 0.007 . 1 . . . . 33 CYS HA . 15644 1 399 . 1 1 35 35 CYS HB2 H 1 3.265 0.006 . 1 . . . . 33 CYS HB2 . 15644 1 400 . 1 1 35 35 CYS HB3 H 1 2.469 0.008 . 1 . . . . 33 CYS HB3 . 15644 1 401 . 1 1 35 35 CYS C C 13 174.248 0.000 . 1 . . . . 33 CYS C . 15644 1 402 . 1 1 35 35 CYS CA C 13 58.963 0.037 . 1 . . . . 33 CYS CA . 15644 1 403 . 1 1 35 35 CYS CB C 13 33.056 0.045 . 1 . . . . 33 CYS CB . 15644 1 404 . 1 1 35 35 CYS N N 15 116.744 0.054 . 1 . . . . 33 CYS N . 15644 1 405 . 1 1 36 36 ASP H H 1 8.475 0.009 . 1 . . . . 34 ASP H . 15644 1 406 . 1 1 36 36 ASP HA H 1 4.491 0.003 . 1 . . . . 34 ASP HA . 15644 1 407 . 1 1 36 36 ASP HB2 H 1 2.544 0.004 . 2 . . . . 34 ASP HB2 . 15644 1 408 . 1 1 36 36 ASP HB3 H 1 3.036 0.004 . 2 . . . . 34 ASP HB3 . 15644 1 409 . 1 1 36 36 ASP C C 13 172.188 0.000 . 1 . . . . 34 ASP C . 15644 1 410 . 1 1 36 36 ASP CA C 13 56.936 0.027 . 1 . . . . 34 ASP CA . 15644 1 411 . 1 1 36 36 ASP CB C 13 42.385 0.047 . 1 . . . . 34 ASP CB . 15644 1 412 . 1 1 36 36 ASP N N 15 123.308 0.031 . 1 . . . . 34 ASP N . 15644 1 413 . 1 1 37 37 SER H H 1 8.387 0.006 . 1 . . . . 35 SER H . 15644 1 414 . 1 1 37 37 SER HA H 1 4.613 0.004 . 1 . . . . 35 SER HA . 15644 1 415 . 1 1 37 37 SER HB2 H 1 4.308 0.011 . 1 . . . . 35 SER HB2 . 15644 1 416 . 1 1 37 37 SER HB3 H 1 4.059 0.008 . 1 . . . . 35 SER HB3 . 15644 1 417 . 1 1 37 37 SER C C 13 172.287 0.000 . 1 . . . . 35 SER C . 15644 1 418 . 1 1 37 37 SER CA C 13 58.804 0.052 . 1 . . . . 35 SER CA . 15644 1 419 . 1 1 37 37 SER CB C 13 66.301 0.082 . 1 . . . . 35 SER CB . 15644 1 420 . 1 1 37 37 SER N N 15 114.671 0.050 . 1 . . . . 35 SER N . 15644 1 421 . 1 1 38 38 TYR H H 1 8.739 0.013 . 1 . . . . 36 TYR H . 15644 1 422 . 1 1 38 38 TYR HA H 1 4.940 0.006 . 1 . . . . 36 TYR HA . 15644 1 423 . 1 1 38 38 TYR HB2 H 1 2.727 0.007 . 1 . . . . 36 TYR HB2 . 15644 1 424 . 1 1 38 38 TYR HB3 H 1 3.320 0.006 . 1 . . . . 36 TYR HB3 . 15644 1 425 . 1 1 38 38 TYR HD1 H 1 7.150 0.004 . 1 . . . . 36 TYR HD1 . 15644 1 426 . 1 1 38 38 TYR HD2 H 1 7.150 0.004 . 1 . . . . 36 TYR HD2 . 15644 1 427 . 1 1 38 38 TYR HE1 H 1 6.902 0.004 . 1 . . . . 36 TYR HE1 . 15644 1 428 . 1 1 38 38 TYR HE2 H 1 6.902 0.004 . 1 . . . . 36 TYR HE2 . 15644 1 429 . 1 1 38 38 TYR C C 13 173.981 0.000 . 1 . . . . 36 TYR C . 15644 1 430 . 1 1 38 38 TYR CA C 13 58.428 0.044 . 1 . . . . 36 TYR CA . 15644 1 431 . 1 1 38 38 TYR CB C 13 38.750 0.061 . 1 . . . . 36 TYR CB . 15644 1 432 . 1 1 38 38 TYR CD1 C 13 133.646 0.271 . 1 . . . . 36 TYR CD1 . 15644 1 433 . 1 1 38 38 TYR CD2 C 13 133.646 0.271 . 1 . . . . 36 TYR CD2 . 15644 1 434 . 1 1 38 38 TYR CE1 C 13 118.511 0.209 . 1 . . . . 36 TYR CE1 . 15644 1 435 . 1 1 38 38 TYR CE2 C 13 118.511 0.209 . 1 . . . . 36 TYR CE2 . 15644 1 436 . 1 1 38 38 TYR N N 15 120.954 0.034 . 1 . . . . 36 TYR N . 15644 1 437 . 1 1 39 39 VAL H H 1 8.071 0.010 . 1 . . . . 37 VAL H . 15644 1 438 . 1 1 39 39 VAL HA H 1 3.989 0.004 . 1 . . . . 37 VAL HA . 15644 1 439 . 1 1 39 39 VAL HB H 1 2.171 0.003 . 1 . . . . 37 VAL HB . 15644 1 440 . 1 1 39 39 VAL HG11 H 1 1.087 0.005 . 2 . . . . 37 VAL HG11 . 15644 1 441 . 1 1 39 39 VAL HG12 H 1 1.087 0.005 . 2 . . . . 37 VAL HG12 . 15644 1 442 . 1 1 39 39 VAL HG13 H 1 1.087 0.005 . 2 . . . . 37 VAL HG13 . 15644 1 443 . 1 1 39 39 VAL HG21 H 1 1.244 0.004 . 2 . . . . 37 VAL HG21 . 15644 1 444 . 1 1 39 39 VAL HG22 H 1 1.244 0.004 . 2 . . . . 37 VAL HG22 . 15644 1 445 . 1 1 39 39 VAL HG23 H 1 1.244 0.004 . 2 . . . . 37 VAL HG23 . 15644 1 446 . 1 1 39 39 VAL C C 13 173.011 0.000 . 1 . . . . 37 VAL C . 15644 1 447 . 1 1 39 39 VAL CA C 13 63.606 0.061 . 1 . . . . 37 VAL CA . 15644 1 448 . 1 1 39 39 VAL CB C 13 33.208 0.059 . 1 . . . . 37 VAL CB . 15644 1 449 . 1 1 39 39 VAL CG1 C 13 22.744 0.055 . 2 . . . . 37 VAL CG1 . 15644 1 450 . 1 1 39 39 VAL CG2 C 13 22.484 0.070 . 2 . . . . 37 VAL CG2 . 15644 1 451 . 1 1 39 39 VAL N N 15 122.297 0.037 . 1 . . . . 37 VAL N . 15644 1 452 . 1 1 40 40 ARG H H 1 8.500 0.011 . 1 . . . . 38 ARG H . 15644 1 453 . 1 1 40 40 ARG HA H 1 4.264 0.004 . 1 . . . . 38 ARG HA . 15644 1 454 . 1 1 40 40 ARG HB2 H 1 1.879 0.001 . 2 . . . . 38 ARG HB2 . 15644 1 455 . 1 1 40 40 ARG HB3 H 1 1.923 0.002 . 2 . . . . 38 ARG HB3 . 15644 1 456 . 1 1 40 40 ARG HD2 H 1 2.755 0.003 . 2 . . . . 38 ARG HD2 . 15644 1 457 . 1 1 40 40 ARG HD3 H 1 2.869 0.003 . 2 . . . . 38 ARG HD3 . 15644 1 458 . 1 1 40 40 ARG HG2 H 1 1.670 0.017 . 1 . . . . 38 ARG HG2 . 15644 1 459 . 1 1 40 40 ARG HG3 H 1 1.670 0.017 . 1 . . . . 38 ARG HG3 . 15644 1 460 . 1 1 40 40 ARG CA C 13 56.322 0.068 . 1 . . . . 38 ARG CA . 15644 1 461 . 1 1 40 40 ARG CB C 13 31.004 0.054 . 1 . . . . 38 ARG CB . 15644 1 462 . 1 1 40 40 ARG CD C 13 44.206 0.092 . 1 . . . . 38 ARG CD . 15644 1 463 . 1 1 40 40 ARG CG C 13 27.382 0.060 . 1 . . . . 38 ARG CG . 15644 1 464 . 1 1 40 40 ARG N N 15 124.359 0.064 . 1 . . . . 38 ARG N . 15644 1 465 . 1 1 41 41 PRO HA H 1 4.304 0.003 . 1 . . . . 39 PRO HA . 15644 1 466 . 1 1 41 41 PRO HB2 H 1 1.128 0.004 . 2 . . . . 39 PRO HB2 . 15644 1 467 . 1 1 41 41 PRO HB3 H 1 1.991 0.002 . 2 . . . . 39 PRO HB3 . 15644 1 468 . 1 1 41 41 PRO HD2 H 1 3.635 0.010 . 1 . . . . 39 PRO HD2 . 15644 1 469 . 1 1 41 41 PRO HD3 H 1 3.635 0.010 . 1 . . . . 39 PRO HD3 . 15644 1 470 . 1 1 41 41 PRO HG2 H 1 1.779 0.004 . 1 . . . . 39 PRO HG2 . 15644 1 471 . 1 1 41 41 PRO HG3 H 1 1.779 0.004 . 1 . . . . 39 PRO HG3 . 15644 1 472 . 1 1 41 41 PRO C C 13 175.223 0.000 . 1 . . . . 39 PRO C . 15644 1 473 . 1 1 41 41 PRO CA C 13 64.377 0.049 . 1 . . . . 39 PRO CA . 15644 1 474 . 1 1 41 41 PRO CB C 13 33.180 0.055 . 1 . . . . 39 PRO CB . 15644 1 475 . 1 1 41 41 PRO CD C 13 51.177 0.033 . 1 . . . . 39 PRO CD . 15644 1 476 . 1 1 41 41 PRO CG C 13 27.496 0.042 . 1 . . . . 39 PRO CG . 15644 1 477 . 1 1 42 42 LYS H H 1 9.005 0.003 . 1 . . . . 40 LYS H . 15644 1 478 . 1 1 42 42 LYS HA H 1 4.809 0.003 . 1 . . . . 40 LYS HA . 15644 1 479 . 1 1 42 42 LYS HB2 H 1 1.390 0.008 . 2 . . . . 40 LYS HB2 . 15644 1 480 . 1 1 42 42 LYS HB3 H 1 2.040 0.010 . 2 . . . . 40 LYS HB3 . 15644 1 481 . 1 1 42 42 LYS HD2 H 1 1.070 0.006 . 2 . . . . 40 LYS HD2 . 15644 1 482 . 1 1 42 42 LYS HD3 H 1 1.241 0.003 . 2 . . . . 40 LYS HD3 . 15644 1 483 . 1 1 42 42 LYS HE2 H 1 2.429 0.006 . 2 . . . . 40 LYS HE2 . 15644 1 484 . 1 1 42 42 LYS HE3 H 1 2.589 0.011 . 2 . . . . 40 LYS HE3 . 15644 1 485 . 1 1 42 42 LYS HG2 H 1 1.094 0.008 . 2 . . . . 40 LYS HG2 . 15644 1 486 . 1 1 42 42 LYS HG3 H 1 1.179 0.002 . 2 . . . . 40 LYS HG3 . 15644 1 487 . 1 1 42 42 LYS C C 13 172.690 0.000 . 1 . . . . 40 LYS C . 15644 1 488 . 1 1 42 42 LYS CA C 13 58.120 0.053 . 1 . . . . 40 LYS CA . 15644 1 489 . 1 1 42 42 LYS CB C 13 36.452 0.046 . 1 . . . . 40 LYS CB . 15644 1 490 . 1 1 42 42 LYS CD C 13 29.601 0.067 . 1 . . . . 40 LYS CD . 15644 1 491 . 1 1 42 42 LYS CE C 13 42.464 0.021 . 1 . . . . 40 LYS CE . 15644 1 492 . 1 1 42 42 LYS CG C 13 26.258 0.040 . 1 . . . . 40 LYS CG . 15644 1 493 . 1 1 42 42 LYS N N 15 121.050 0.049 . 1 . . . . 40 LYS N . 15644 1 494 . 1 1 43 43 ARG H H 1 7.648 0.004 . 1 . . . . 41 ARG H . 15644 1 495 . 1 1 43 43 ARG HA H 1 5.063 0.001 . 1 . . . . 41 ARG HA . 15644 1 496 . 1 1 43 43 ARG HB2 H 1 1.878 0.007 . 2 . . . . 41 ARG HB2 . 15644 1 497 . 1 1 43 43 ARG HB3 H 1 1.923 0.012 . 2 . . . . 41 ARG HB3 . 15644 1 498 . 1 1 43 43 ARG HD2 H 1 3.299 0.002 . 1 . . . . 41 ARG HD2 . 15644 1 499 . 1 1 43 43 ARG HD3 H 1 3.299 0.002 . 1 . . . . 41 ARG HD3 . 15644 1 500 . 1 1 43 43 ARG HG2 H 1 1.793 0.005 . 1 . . . . 41 ARG HG2 . 15644 1 501 . 1 1 43 43 ARG HG3 H 1 1.793 0.005 . 1 . . . . 41 ARG HG3 . 15644 1 502 . 1 1 43 43 ARG C C 13 172.087 0.000 . 1 . . . . 41 ARG C . 15644 1 503 . 1 1 43 43 ARG CA C 13 55.198 0.040 . 1 . . . . 41 ARG CA . 15644 1 504 . 1 1 43 43 ARG CB C 13 35.227 0.017 . 1 . . . . 41 ARG CB . 15644 1 505 . 1 1 43 43 ARG CD C 13 44.008 0.066 . 1 . . . . 41 ARG CD . 15644 1 506 . 1 1 43 43 ARG CG C 13 28.362 0.045 . 1 . . . . 41 ARG CG . 15644 1 507 . 1 1 43 43 ARG N N 15 117.739 0.056 . 1 . . . . 41 ARG N . 15644 1 508 . 1 1 44 44 LYS H H 1 9.012 0.006 . 1 . . . . 42 LYS H . 15644 1 509 . 1 1 44 44 LYS HA H 1 3.706 0.003 . 1 . . . . 42 LYS HA . 15644 1 510 . 1 1 44 44 LYS HB2 H 1 1.474 0.016 . 2 . . . . 42 LYS HB2 . 15644 1 511 . 1 1 44 44 LYS HB3 H 1 1.512 0.004 . 2 . . . . 42 LYS HB3 . 15644 1 512 . 1 1 44 44 LYS HD2 H 1 1.518 0.005 . 1 . . . . 42 LYS HD2 . 15644 1 513 . 1 1 44 44 LYS HD3 H 1 1.518 0.005 . 1 . . . . 42 LYS HD3 . 15644 1 514 . 1 1 44 44 LYS HE2 H 1 2.866 0.005 . 2 . . . . 42 LYS HE2 . 15644 1 515 . 1 1 44 44 LYS HE3 H 1 3.000 0.007 . 2 . . . . 42 LYS HE3 . 15644 1 516 . 1 1 44 44 LYS HG2 H 1 0.782 0.008 . 2 . . . . 42 LYS HG2 . 15644 1 517 . 1 1 44 44 LYS HG3 H 1 1.139 0.005 . 2 . . . . 42 LYS HG3 . 15644 1 518 . 1 1 44 44 LYS C C 13 173.869 0.000 . 1 . . . . 42 LYS C . 15644 1 519 . 1 1 44 44 LYS CA C 13 58.451 0.038 . 1 . . . . 42 LYS CA . 15644 1 520 . 1 1 44 44 LYS CB C 13 33.349 0.037 . 1 . . . . 42 LYS CB . 15644 1 521 . 1 1 44 44 LYS CD C 13 30.098 0.088 . 1 . . . . 42 LYS CD . 15644 1 522 . 1 1 44 44 LYS CE C 13 42.527 0.048 . 1 . . . . 42 LYS CE . 15644 1 523 . 1 1 44 44 LYS CG C 13 26.776 0.031 . 1 . . . . 42 LYS CG . 15644 1 524 . 1 1 44 44 LYS N N 15 126.308 0.048 . 1 . . . . 42 LYS N . 15644 1 525 . 1 1 45 45 VAL H H 1 8.137 0.005 . 1 . . . . 43 VAL H . 15644 1 526 . 1 1 45 45 VAL HA H 1 3.606 0.008 . 1 . . . . 43 VAL HA . 15644 1 527 . 1 1 45 45 VAL HB H 1 1.527 0.008 . 1 . . . . 43 VAL HB . 15644 1 528 . 1 1 45 45 VAL HG11 H 1 -0.119 0.004 . 2 . . . . 43 VAL HG11 . 15644 1 529 . 1 1 45 45 VAL HG12 H 1 -0.119 0.004 . 2 . . . . 43 VAL HG12 . 15644 1 530 . 1 1 45 45 VAL HG13 H 1 -0.119 0.004 . 2 . . . . 43 VAL HG13 . 15644 1 531 . 1 1 45 45 VAL HG21 H 1 0.452 0.004 . 2 . . . . 43 VAL HG21 . 15644 1 532 . 1 1 45 45 VAL HG22 H 1 0.452 0.004 . 2 . . . . 43 VAL HG22 . 15644 1 533 . 1 1 45 45 VAL HG23 H 1 0.452 0.004 . 2 . . . . 43 VAL HG23 . 15644 1 534 . 1 1 45 45 VAL C C 13 172.960 0.000 . 1 . . . . 43 VAL C . 15644 1 535 . 1 1 45 45 VAL CA C 13 62.695 0.024 . 1 . . . . 43 VAL CA . 15644 1 536 . 1 1 45 45 VAL CB C 13 32.900 0.057 . 1 . . . . 43 VAL CB . 15644 1 537 . 1 1 45 45 VAL CG1 C 13 20.914 0.054 . 2 . . . . 43 VAL CG1 . 15644 1 538 . 1 1 45 45 VAL CG2 C 13 22.291 0.029 . 2 . . . . 43 VAL CG2 . 15644 1 539 . 1 1 45 45 VAL N N 15 123.149 0.043 . 1 . . . . 43 VAL N . 15644 1 540 . 1 1 46 46 ARG H H 1 7.605 0.003 . 1 . . . . 44 ARG H . 15644 1 541 . 1 1 46 46 ARG HA H 1 5.143 0.003 . 1 . . . . 44 ARG HA . 15644 1 542 . 1 1 46 46 ARG HB2 H 1 1.573 0.004 . 1 . . . . 44 ARG HB2 . 15644 1 543 . 1 1 46 46 ARG HB3 H 1 1.939 0.009 . 1 . . . . 44 ARG HB3 . 15644 1 544 . 1 1 46 46 ARG HD2 H 1 3.085 0.001 . 2 . . . . 44 ARG HD2 . 15644 1 545 . 1 1 46 46 ARG HD3 H 1 3.135 0.000 . 2 . . . . 44 ARG HD3 . 15644 1 546 . 1 1 46 46 ARG HG2 H 1 1.451 0.015 . 2 . . . . 44 ARG HG2 . 15644 1 547 . 1 1 46 46 ARG HG3 H 1 1.553 0.007 . 2 . . . . 44 ARG HG3 . 15644 1 548 . 1 1 46 46 ARG C C 13 174.366 0.000 . 1 . . . . 44 ARG C . 15644 1 549 . 1 1 46 46 ARG CA C 13 54.741 0.029 . 1 . . . . 44 ARG CA . 15644 1 550 . 1 1 46 46 ARG CB C 13 32.485 0.037 . 1 . . . . 44 ARG CB . 15644 1 551 . 1 1 46 46 ARG CD C 13 43.508 0.033 . 1 . . . . 44 ARG CD . 15644 1 552 . 1 1 46 46 ARG CG C 13 28.425 0.053 . 1 . . . . 44 ARG CG . 15644 1 553 . 1 1 46 46 ARG N N 15 125.238 0.050 . 1 . . . . 44 ARG N . 15644 1 554 . 1 1 47 47 VAL H H 1 8.144 0.004 . 1 . . . . 45 VAL H . 15644 1 555 . 1 1 47 47 VAL HA H 1 5.261 0.006 . 1 . . . . 45 VAL HA . 15644 1 556 . 1 1 47 47 VAL HB H 1 2.418 0.006 . 1 . . . . 45 VAL HB . 15644 1 557 . 1 1 47 47 VAL HG11 H 1 0.637 0.005 . 2 . . . . 45 VAL HG11 . 15644 1 558 . 1 1 47 47 VAL HG12 H 1 0.637 0.005 . 2 . . . . 45 VAL HG12 . 15644 1 559 . 1 1 47 47 VAL HG13 H 1 0.637 0.005 . 2 . . . . 45 VAL HG13 . 15644 1 560 . 1 1 47 47 VAL HG21 H 1 0.794 0.005 . 2 . . . . 45 VAL HG21 . 15644 1 561 . 1 1 47 47 VAL HG22 H 1 0.794 0.005 . 2 . . . . 45 VAL HG22 . 15644 1 562 . 1 1 47 47 VAL HG23 H 1 0.794 0.005 . 2 . . . . 45 VAL HG23 . 15644 1 563 . 1 1 47 47 VAL C C 13 175.542 0.000 . 1 . . . . 45 VAL C . 15644 1 564 . 1 1 47 47 VAL CA C 13 58.589 0.038 . 1 . . . . 45 VAL CA . 15644 1 565 . 1 1 47 47 VAL CB C 13 34.768 0.024 . 1 . . . . 45 VAL CB . 15644 1 566 . 1 1 47 47 VAL CG1 C 13 17.520 0.050 . 2 . . . . 45 VAL CG1 . 15644 1 567 . 1 1 47 47 VAL CG2 C 13 21.204 0.056 . 2 . . . . 45 VAL CG2 . 15644 1 568 . 1 1 47 47 VAL N N 15 113.234 0.054 . 1 . . . . 45 VAL N . 15644 1 569 . 1 1 48 48 CYS H H 1 9.752 0.004 . 1 . . . . 46 CYS H . 15644 1 570 . 1 1 48 48 CYS HA H 1 4.947 0.015 . 1 . . . . 46 CYS HA . 15644 1 571 . 1 1 48 48 CYS HB2 H 1 3.218 0.005 . 1 . . . . 46 CYS HB2 . 15644 1 572 . 1 1 48 48 CYS HB3 H 1 2.421 0.006 . 1 . . . . 46 CYS HB3 . 15644 1 573 . 1 1 48 48 CYS C C 13 173.086 0.000 . 1 . . . . 46 CYS C . 15644 1 574 . 1 1 48 48 CYS CA C 13 59.219 0.057 . 1 . . . . 46 CYS CA . 15644 1 575 . 1 1 48 48 CYS CB C 13 32.588 0.073 . 1 . . . . 46 CYS CB . 15644 1 576 . 1 1 48 48 CYS N N 15 122.860 0.046 . 1 . . . . 46 CYS N . 15644 1 577 . 1 1 49 49 GLU H H 1 8.815 0.006 . 1 . . . . 47 GLU H . 15644 1 578 . 1 1 49 49 GLU HA H 1 4.068 0.007 . 1 . . . . 47 GLU HA . 15644 1 579 . 1 1 49 49 GLU HB2 H 1 2.071 0.002 . 1 . . . . 47 GLU HB2 . 15644 1 580 . 1 1 49 49 GLU HB3 H 1 2.071 0.002 . 1 . . . . 47 GLU HB3 . 15644 1 581 . 1 1 49 49 GLU HG2 H 1 2.340 0.006 . 1 . . . . 47 GLU HG2 . 15644 1 582 . 1 1 49 49 GLU HG3 H 1 2.340 0.006 . 1 . . . . 47 GLU HG3 . 15644 1 583 . 1 1 49 49 GLU C C 13 176.665 0.000 . 1 . . . . 47 GLU C . 15644 1 584 . 1 1 49 49 GLU CA C 13 59.666 0.047 . 1 . . . . 47 GLU CA . 15644 1 585 . 1 1 49 49 GLU CB C 13 30.195 0.031 . 1 . . . . 47 GLU CB . 15644 1 586 . 1 1 49 49 GLU CG C 13 37.134 0.031 . 1 . . . . 47 GLU CG . 15644 1 587 . 1 1 49 49 GLU N N 15 117.448 0.033 . 1 . . . . 47 GLU N . 15644 1 588 . 1 1 50 50 ASN H H 1 8.395 0.005 . 1 . . . . 48 ASN H . 15644 1 589 . 1 1 50 50 ASN HA H 1 4.471 0.004 . 1 . . . . 48 ASN HA . 15644 1 590 . 1 1 50 50 ASN HB2 H 1 3.009 0.008 . 1 . . . . 48 ASN HB2 . 15644 1 591 . 1 1 50 50 ASN HB3 H 1 2.869 0.006 . 1 . . . . 48 ASN HB3 . 15644 1 592 . 1 1 50 50 ASN HD21 H 1 7.092 0.004 . 1 . . . . 48 ASN HD21 . 15644 1 593 . 1 1 50 50 ASN HD22 H 1 7.837 0.020 . 1 . . . . 48 ASN HD22 . 15644 1 594 . 1 1 50 50 ASN C C 13 176.062 0.000 . 1 . . . . 48 ASN C . 15644 1 595 . 1 1 50 50 ASN CA C 13 57.388 0.021 . 1 . . . . 48 ASN CA . 15644 1 596 . 1 1 50 50 ASN CB C 13 39.395 0.040 . 1 . . . . 48 ASN CB . 15644 1 597 . 1 1 50 50 ASN CG C 13 174.407 0.000 . 1 . . . . 48 ASN CG . 15644 1 598 . 1 1 50 50 ASN N N 15 119.539 0.103 . 1 . . . . 48 ASN N . 15644 1 599 . 1 1 50 50 ASN ND2 N 15 113.619 0.061 . 1 . . . . 48 ASN ND2 . 15644 1 600 . 1 1 51 51 CYS H H 1 9.188 0.008 . 1 . . . . 49 CYS H . 15644 1 601 . 1 1 51 51 CYS HA H 1 3.945 0.003 . 1 . . . . 49 CYS HA . 15644 1 602 . 1 1 51 51 CYS HB2 H 1 3.010 0.011 . 1 . . . . 49 CYS HB2 . 15644 1 603 . 1 1 51 51 CYS HB3 H 1 2.747 0.012 . 1 . . . . 49 CYS HB3 . 15644 1 604 . 1 1 51 51 CYS C C 13 174.998 0.000 . 1 . . . . 49 CYS C . 15644 1 605 . 1 1 51 51 CYS CA C 13 64.798 0.041 . 1 . . . . 49 CYS CA . 15644 1 606 . 1 1 51 51 CYS CB C 13 30.404 0.063 . 1 . . . . 49 CYS CB . 15644 1 607 . 1 1 51 51 CYS N N 15 123.073 0.031 . 1 . . . . 49 CYS N . 15644 1 608 . 1 1 52 52 SER H H 1 7.858 0.007 . 1 . . . . 50 SER H . 15644 1 609 . 1 1 52 52 SER HA H 1 4.235 0.004 . 1 . . . . 50 SER HA . 15644 1 610 . 1 1 52 52 SER HB2 H 1 3.630 0.004 . 2 . . . . 50 SER HB2 . 15644 1 611 . 1 1 52 52 SER HB3 H 1 3.889 0.007 . 2 . . . . 50 SER HB3 . 15644 1 612 . 1 1 52 52 SER C C 13 170.940 0.000 . 1 . . . . 50 SER C . 15644 1 613 . 1 1 52 52 SER CA C 13 59.923 0.075 . 1 . . . . 50 SER CA . 15644 1 614 . 1 1 52 52 SER CB C 13 63.808 0.040 . 1 . . . . 50 SER CB . 15644 1 615 . 1 1 52 52 SER N N 15 113.493 0.044 . 1 . . . . 50 SER N . 15644 1 616 . 1 1 53 53 PHE H H 1 7.342 0.007 . 1 . . . . 51 PHE H . 15644 1 617 . 1 1 53 53 PHE HA H 1 4.774 0.005 . 1 . . . . 51 PHE HA . 15644 1 618 . 1 1 53 53 PHE HB2 H 1 3.210 0.007 . 1 . . . . 51 PHE HB2 . 15644 1 619 . 1 1 53 53 PHE HB3 H 1 3.114 0.006 . 1 . . . . 51 PHE HB3 . 15644 1 620 . 1 1 53 53 PHE HD1 H 1 7.329 0.004 . 1 . . . . 51 PHE HD1 . 15644 1 621 . 1 1 53 53 PHE HD2 H 1 7.329 0.004 . 1 . . . . 51 PHE HD2 . 15644 1 622 . 1 1 53 53 PHE HE1 H 1 7.234 0.003 . 1 . . . . 51 PHE HE1 . 15644 1 623 . 1 1 53 53 PHE HE2 H 1 7.234 0.003 . 1 . . . . 51 PHE HE2 . 15644 1 624 . 1 1 53 53 PHE C C 13 173.672 0.000 . 1 . . . . 51 PHE C . 15644 1 625 . 1 1 53 53 PHE CA C 13 57.716 0.022 . 1 . . . . 51 PHE CA . 15644 1 626 . 1 1 53 53 PHE CB C 13 41.175 0.044 . 1 . . . . 51 PHE CB . 15644 1 627 . 1 1 53 53 PHE CD1 C 13 132.118 0.073 . 1 . . . . 51 PHE CD1 . 15644 1 628 . 1 1 53 53 PHE CD2 C 13 132.118 0.073 . 1 . . . . 51 PHE CD2 . 15644 1 629 . 1 1 53 53 PHE CE1 C 13 131.952 0.038 . 1 . . . . 51 PHE CE1 . 15644 1 630 . 1 1 53 53 PHE CE2 C 13 131.952 0.038 . 1 . . . . 51 PHE CE2 . 15644 1 631 . 1 1 53 53 PHE N N 15 120.269 0.059 . 1 . . . . 51 PHE N . 15644 1 632 . 1 1 54 54 GLY H H 1 7.922 0.005 . 1 . . . . 52 GLY H . 15644 1 633 . 1 1 54 54 GLY HA2 H 1 3.871 0.005 . 2 . . . . 52 GLY HA2 . 15644 1 634 . 1 1 54 54 GLY HA3 H 1 4.133 0.002 . 2 . . . . 52 GLY HA3 . 15644 1 635 . 1 1 54 54 GLY CA C 13 45.105 0.044 . 1 . . . . 52 GLY CA . 15644 1 636 . 1 1 54 54 GLY N N 15 109.804 0.029 . 1 . . . . 52 GLY N . 15644 1 637 . 1 1 55 55 LYS HA H 1 4.036 0.002 . 1 . . . . 53 LYS HA . 15644 1 638 . 1 1 55 55 LYS HB2 H 1 1.852 0.002 . 1 . . . . 53 LYS HB2 . 15644 1 639 . 1 1 55 55 LYS HB3 H 1 1.852 0.002 . 1 . . . . 53 LYS HB3 . 15644 1 640 . 1 1 55 55 LYS HD2 H 1 1.697 0.001 . 1 . . . . 53 LYS HD2 . 15644 1 641 . 1 1 55 55 LYS HD3 H 1 1.697 0.001 . 1 . . . . 53 LYS HD3 . 15644 1 642 . 1 1 55 55 LYS HE2 H 1 3.018 0.002 . 1 . . . . 53 LYS HE2 . 15644 1 643 . 1 1 55 55 LYS HE3 H 1 3.018 0.002 . 1 . . . . 53 LYS HE3 . 15644 1 644 . 1 1 55 55 LYS HG2 H 1 1.498 0.001 . 1 . . . . 53 LYS HG2 . 15644 1 645 . 1 1 55 55 LYS HG3 H 1 1.498 0.001 . 1 . . . . 53 LYS HG3 . 15644 1 646 . 1 1 55 55 LYS C C 13 176.214 0.000 . 1 . . . . 53 LYS C . 15644 1 647 . 1 1 55 55 LYS CA C 13 59.191 0.024 . 1 . . . . 53 LYS CA . 15644 1 648 . 1 1 55 55 LYS CB C 13 32.842 0.027 . 1 . . . . 53 LYS CB . 15644 1 649 . 1 1 55 55 LYS CD C 13 29.599 0.037 . 1 . . . . 53 LYS CD . 15644 1 650 . 1 1 55 55 LYS CE C 13 42.490 0.014 . 1 . . . . 53 LYS CE . 15644 1 651 . 1 1 55 55 LYS CG C 13 25.306 0.050 . 1 . . . . 53 LYS CG . 15644 1 652 . 1 1 56 56 GLN H H 1 8.539 0.005 . 1 . . . . 54 GLN H . 15644 1 653 . 1 1 56 56 GLN HA H 1 4.339 0.006 . 1 . . . . 54 GLN HA . 15644 1 654 . 1 1 56 56 GLN HB2 H 1 2.056 0.006 . 2 . . . . 54 GLN HB2 . 15644 1 655 . 1 1 56 56 GLN HB3 H 1 2.229 0.008 . 2 . . . . 54 GLN HB3 . 15644 1 656 . 1 1 56 56 GLN HE21 H 1 6.906 0.004 . 1 . . . . 54 GLN HE21 . 15644 1 657 . 1 1 56 56 GLN HE22 H 1 7.515 0.006 . 1 . . . . 54 GLN HE22 . 15644 1 658 . 1 1 56 56 GLN HG2 H 1 2.366 0.006 . 1 . . . . 54 GLN HG2 . 15644 1 659 . 1 1 56 56 GLN HG3 H 1 2.366 0.006 . 1 . . . . 54 GLN HG3 . 15644 1 660 . 1 1 56 56 GLN C C 13 175.046 0.000 . 1 . . . . 54 GLN C . 15644 1 661 . 1 1 56 56 GLN CA C 13 56.666 0.058 . 1 . . . . 54 GLN CA . 15644 1 662 . 1 1 56 56 GLN CB C 13 28.448 0.026 . 1 . . . . 54 GLN CB . 15644 1 663 . 1 1 56 56 GLN CD C 13 178.100 0.000 . 1 . . . . 54 GLN CD . 15644 1 664 . 1 1 56 56 GLN CG C 13 34.227 0.034 . 1 . . . . 54 GLN CG . 15644 1 665 . 1 1 56 56 GLN N N 15 116.975 0.023 . 1 . . . . 54 GLN N . 15644 1 666 . 1 1 56 56 GLN NE2 N 15 111.831 0.041 . 1 . . . . 54 GLN NE2 . 15644 1 667 . 1 1 57 57 ALA H H 1 7.323 0.004 . 1 . . . . 55 ALA H . 15644 1 668 . 1 1 57 57 ALA HA H 1 4.060 0.005 . 1 . . . . 55 ALA HA . 15644 1 669 . 1 1 57 57 ALA HB1 H 1 1.337 0.006 . 1 . . . . 55 ALA HB1 . 15644 1 670 . 1 1 57 57 ALA HB2 H 1 1.337 0.006 . 1 . . . . 55 ALA HB2 . 15644 1 671 . 1 1 57 57 ALA HB3 H 1 1.337 0.006 . 1 . . . . 55 ALA HB3 . 15644 1 672 . 1 1 57 57 ALA C C 13 176.516 0.000 . 1 . . . . 55 ALA C . 15644 1 673 . 1 1 57 57 ALA CA C 13 55.222 0.045 . 1 . . . . 55 ALA CA . 15644 1 674 . 1 1 57 57 ALA CB C 13 19.863 0.030 . 1 . . . . 55 ALA CB . 15644 1 675 . 1 1 57 57 ALA N N 15 122.005 0.030 . 1 . . . . 55 ALA N . 15644 1 676 . 1 1 58 58 LYS H H 1 7.860 0.008 . 1 . . . . 56 LYS H . 15644 1 677 . 1 1 58 58 LYS HA H 1 4.274 0.011 . 1 . . . . 56 LYS HA . 15644 1 678 . 1 1 58 58 LYS HB2 H 1 1.768 0.002 . 2 . . . . 56 LYS HB2 . 15644 1 679 . 1 1 58 58 LYS HB3 H 1 2.011 0.003 . 2 . . . . 56 LYS HB3 . 15644 1 680 . 1 1 58 58 LYS HD2 H 1 1.615 0.001 . 1 . . . . 56 LYS HD2 . 15644 1 681 . 1 1 58 58 LYS HD3 H 1 1.615 0.001 . 1 . . . . 56 LYS HD3 . 15644 1 682 . 1 1 58 58 LYS HE2 H 1 2.957 0.003 . 1 . . . . 56 LYS HE2 . 15644 1 683 . 1 1 58 58 LYS HE3 H 1 2.957 0.003 . 1 . . . . 56 LYS HE3 . 15644 1 684 . 1 1 58 58 LYS HG2 H 1 1.419 0.006 . 1 . . . . 56 LYS HG2 . 15644 1 685 . 1 1 58 58 LYS HG3 H 1 1.419 0.006 . 1 . . . . 56 LYS HG3 . 15644 1 686 . 1 1 58 58 LYS C C 13 174.001 0.000 . 1 . . . . 56 LYS C . 15644 1 687 . 1 1 58 58 LYS CA C 13 55.811 0.039 . 1 . . . . 56 LYS CA . 15644 1 688 . 1 1 58 58 LYS CB C 13 32.673 0.055 . 1 . . . . 56 LYS CB . 15644 1 689 . 1 1 58 58 LYS CD C 13 29.188 0.076 . 1 . . . . 56 LYS CD . 15644 1 690 . 1 1 58 58 LYS CE C 13 42.604 0.039 . 1 . . . . 56 LYS CE . 15644 1 691 . 1 1 58 58 LYS CG C 13 25.249 0.046 . 1 . . . . 56 LYS CG . 15644 1 692 . 1 1 58 58 LYS N N 15 113.548 0.033 . 1 . . . . 56 LYS N . 15644 1 693 . 1 1 59 59 ASN H H 1 7.657 0.005 . 1 . . . . 57 ASN H . 15644 1 694 . 1 1 59 59 ASN HA H 1 4.770 0.005 . 1 . . . . 57 ASN HA . 15644 1 695 . 1 1 59 59 ASN HB2 H 1 2.488 0.005 . 2 . . . . 57 ASN HB2 . 15644 1 696 . 1 1 59 59 ASN HB3 H 1 2.858 0.009 . 2 . . . . 57 ASN HB3 . 15644 1 697 . 1 1 59 59 ASN HD21 H 1 6.631 0.005 . 1 . . . . 57 ASN HD21 . 15644 1 698 . 1 1 59 59 ASN HD22 H 1 7.202 0.004 . 1 . . . . 57 ASN HD22 . 15644 1 699 . 1 1 59 59 ASN C C 13 172.401 0.000 . 1 . . . . 57 ASN C . 15644 1 700 . 1 1 59 59 ASN CA C 13 52.980 0.033 . 1 . . . . 57 ASN CA . 15644 1 701 . 1 1 59 59 ASN CB C 13 39.551 0.049 . 1 . . . . 57 ASN CB . 15644 1 702 . 1 1 59 59 ASN CG C 13 173.095 0.000 . 1 . . . . 57 ASN CG . 15644 1 703 . 1 1 59 59 ASN N N 15 118.285 0.056 . 1 . . . . 57 ASN N . 15644 1 704 . 1 1 59 59 ASN ND2 N 15 108.777 0.099 . 1 . . . . 57 ASN ND2 . 15644 1 705 . 1 1 60 60 CYS H H 1 8.557 0.008 . 1 . . . . 58 CYS H . 15644 1 706 . 1 1 60 60 CYS HA H 1 4.223 0.005 . 1 . . . . 58 CYS HA . 15644 1 707 . 1 1 60 60 CYS HB2 H 1 2.657 0.009 . 1 . . . . 58 CYS HB2 . 15644 1 708 . 1 1 60 60 CYS HB3 H 1 3.353 0.008 . 1 . . . . 58 CYS HB3 . 15644 1 709 . 1 1 60 60 CYS C C 13 175.430 0.000 . 1 . . . . 58 CYS C . 15644 1 710 . 1 1 60 60 CYS CA C 13 59.527 0.052 . 1 . . . . 58 CYS CA . 15644 1 711 . 1 1 60 60 CYS CB C 13 32.679 0.066 . 1 . . . . 58 CYS CB . 15644 1 712 . 1 1 60 60 CYS N N 15 122.930 0.066 . 1 . . . . 58 CYS N . 15644 1 713 . 1 1 61 61 ILE H H 1 8.893 0.010 . 1 . . . . 59 ILE H . 15644 1 714 . 1 1 61 61 ILE HA H 1 4.339 0.005 . 1 . . . . 59 ILE HA . 15644 1 715 . 1 1 61 61 ILE HB H 1 1.949 0.006 . 1 . . . . 59 ILE HB . 15644 1 716 . 1 1 61 61 ILE HD11 H 1 0.582 0.006 . 1 . . . . 59 ILE HD11 . 15644 1 717 . 1 1 61 61 ILE HD12 H 1 0.582 0.006 . 1 . . . . 59 ILE HD12 . 15644 1 718 . 1 1 61 61 ILE HD13 H 1 0.582 0.006 . 1 . . . . 59 ILE HD13 . 15644 1 719 . 1 1 61 61 ILE HG12 H 1 1.226 0.011 . 2 . . . . 59 ILE HG12 . 15644 1 720 . 1 1 61 61 ILE HG13 H 1 1.322 0.004 . 2 . . . . 59 ILE HG13 . 15644 1 721 . 1 1 61 61 ILE HG21 H 1 1.071 0.009 . 1 . . . . 59 ILE HG21 . 15644 1 722 . 1 1 61 61 ILE HG22 H 1 1.071 0.009 . 1 . . . . 59 ILE HG22 . 15644 1 723 . 1 1 61 61 ILE HG23 H 1 1.071 0.009 . 1 . . . . 59 ILE HG23 . 15644 1 724 . 1 1 61 61 ILE C C 13 173.932 0.000 . 1 . . . . 59 ILE C . 15644 1 725 . 1 1 61 61 ILE CA C 13 63.885 0.039 . 1 . . . . 59 ILE CA . 15644 1 726 . 1 1 61 61 ILE CB C 13 39.382 0.052 . 1 . . . . 59 ILE CB . 15644 1 727 . 1 1 61 61 ILE CD1 C 13 16.077 0.068 . 1 . . . . 59 ILE CD1 . 15644 1 728 . 1 1 61 61 ILE CG1 C 13 27.403 0.073 . 1 . . . . 59 ILE CG1 . 15644 1 729 . 1 1 61 61 ILE CG2 C 13 18.384 0.044 . 1 . . . . 59 ILE CG2 . 15644 1 730 . 1 1 61 61 ILE N N 15 122.088 0.041 . 1 . . . . 59 ILE N . 15644 1 731 . 1 1 62 62 ILE H H 1 8.894 0.006 . 1 . . . . 60 ILE H . 15644 1 732 . 1 1 62 62 ILE HA H 1 4.258 0.010 . 1 . . . . 60 ILE HA . 15644 1 733 . 1 1 62 62 ILE HB H 1 2.127 0.009 . 1 . . . . 60 ILE HB . 15644 1 734 . 1 1 62 62 ILE HD11 H 1 0.779 0.007 . 1 . . . . 60 ILE HD11 . 15644 1 735 . 1 1 62 62 ILE HD12 H 1 0.779 0.007 . 1 . . . . 60 ILE HD12 . 15644 1 736 . 1 1 62 62 ILE HD13 H 1 0.779 0.007 . 1 . . . . 60 ILE HD13 . 15644 1 737 . 1 1 62 62 ILE HG12 H 1 1.557 0.005 . 2 . . . . 60 ILE HG12 . 15644 1 738 . 1 1 62 62 ILE HG13 H 1 1.582 0.006 . 2 . . . . 60 ILE HG13 . 15644 1 739 . 1 1 62 62 ILE HG21 H 1 0.890 0.004 . 1 . . . . 60 ILE HG21 . 15644 1 740 . 1 1 62 62 ILE HG22 H 1 0.890 0.004 . 1 . . . . 60 ILE HG22 . 15644 1 741 . 1 1 62 62 ILE HG23 H 1 0.890 0.004 . 1 . . . . 60 ILE HG23 . 15644 1 742 . 1 1 62 62 ILE C C 13 173.678 0.000 . 1 . . . . 60 ILE C . 15644 1 743 . 1 1 62 62 ILE CA C 13 65.333 0.061 . 1 . . . . 60 ILE CA . 15644 1 744 . 1 1 62 62 ILE CB C 13 38.622 0.066 . 1 . . . . 60 ILE CB . 15644 1 745 . 1 1 62 62 ILE CD1 C 13 15.196 0.069 . 1 . . . . 60 ILE CD1 . 15644 1 746 . 1 1 62 62 ILE CG1 C 13 28.922 0.074 . 1 . . . . 60 ILE CG1 . 15644 1 747 . 1 1 62 62 ILE CG2 C 13 17.872 0.055 . 1 . . . . 60 ILE CG2 . 15644 1 748 . 1 1 62 62 ILE N N 15 124.364 0.049 . 1 . . . . 60 ILE N . 15644 1 749 . 1 1 63 63 CYS H H 1 8.175 0.005 . 1 . . . . 61 CYS H . 15644 1 750 . 1 1 63 63 CYS HA H 1 4.764 0.003 . 1 . . . . 61 CYS HA . 15644 1 751 . 1 1 63 63 CYS HB2 H 1 3.202 0.006 . 1 . . . . 61 CYS HB2 . 15644 1 752 . 1 1 63 63 CYS HB3 H 1 2.729 0.010 . 1 . . . . 61 CYS HB3 . 15644 1 753 . 1 1 63 63 CYS C C 13 174.519 0.000 . 1 . . . . 61 CYS C . 15644 1 754 . 1 1 63 63 CYS CA C 13 59.707 0.033 . 1 . . . . 61 CYS CA . 15644 1 755 . 1 1 63 63 CYS CB C 13 32.715 0.046 . 1 . . . . 61 CYS CB . 15644 1 756 . 1 1 63 63 CYS N N 15 116.602 0.056 . 1 . . . . 61 CYS N . 15644 1 757 . 1 1 64 64 ASN H H 1 7.843 0.008 . 1 . . . . 62 ASN H . 15644 1 758 . 1 1 64 64 ASN HA H 1 4.674 0.003 . 1 . . . . 62 ASN HA . 15644 1 759 . 1 1 64 64 ASN HB2 H 1 3.000 0.004 . 1 . . . . 62 ASN HB2 . 15644 1 760 . 1 1 64 64 ASN HB3 H 1 3.000 0.004 . 1 . . . . 62 ASN HB3 . 15644 1 761 . 1 1 64 64 ASN HD21 H 1 6.761 0.004 . 1 . . . . 62 ASN HD21 . 15644 1 762 . 1 1 64 64 ASN HD22 H 1 7.380 0.009 . 1 . . . . 62 ASN HD22 . 15644 1 763 . 1 1 64 64 ASN C C 13 173.031 0.000 . 1 . . . . 62 ASN C . 15644 1 764 . 1 1 64 64 ASN CA C 13 56.592 0.042 . 1 . . . . 62 ASN CA . 15644 1 765 . 1 1 64 64 ASN CB C 13 39.282 0.056 . 1 . . . . 62 ASN CB . 15644 1 766 . 1 1 64 64 ASN CG C 13 175.220 0.000 . 1 . . . . 62 ASN CG . 15644 1 767 . 1 1 64 64 ASN N N 15 117.733 0.050 . 1 . . . . 62 ASN N . 15644 1 768 . 1 1 64 64 ASN ND2 N 15 112.339 0.051 . 1 . . . . 62 ASN ND2 . 15644 1 769 . 1 1 65 65 LEU H H 1 8.399 0.006 . 1 . . . . 63 LEU H . 15644 1 770 . 1 1 65 65 LEU HA H 1 4.469 0.004 . 1 . . . . 63 LEU HA . 15644 1 771 . 1 1 65 65 LEU HB2 H 1 1.610 0.005 . 2 . . . . 63 LEU HB2 . 15644 1 772 . 1 1 65 65 LEU HB3 H 1 1.749 0.007 . 2 . . . . 63 LEU HB3 . 15644 1 773 . 1 1 65 65 LEU HD11 H 1 0.883 0.006 . 2 . . . . 63 LEU HD11 . 15644 1 774 . 1 1 65 65 LEU HD12 H 1 0.883 0.006 . 2 . . . . 63 LEU HD12 . 15644 1 775 . 1 1 65 65 LEU HD13 H 1 0.883 0.006 . 2 . . . . 63 LEU HD13 . 15644 1 776 . 1 1 65 65 LEU HD21 H 1 0.916 0.012 . 2 . . . . 63 LEU HD21 . 15644 1 777 . 1 1 65 65 LEU HD22 H 1 0.916 0.012 . 2 . . . . 63 LEU HD22 . 15644 1 778 . 1 1 65 65 LEU HD23 H 1 0.916 0.012 . 2 . . . . 63 LEU HD23 . 15644 1 779 . 1 1 65 65 LEU HG H 1 1.733 0.003 . 1 . . . . 63 LEU HG . 15644 1 780 . 1 1 65 65 LEU C C 13 174.020 0.000 . 1 . . . . 63 LEU C . 15644 1 781 . 1 1 65 65 LEU CA C 13 56.873 0.031 . 1 . . . . 63 LEU CA . 15644 1 782 . 1 1 65 65 LEU CB C 13 45.483 0.050 . 1 . . . . 63 LEU CB . 15644 1 783 . 1 1 65 65 LEU CD1 C 13 23.780 0.057 . 2 . . . . 63 LEU CD1 . 15644 1 784 . 1 1 65 65 LEU CD2 C 13 25.363 0.071 . 2 . . . . 63 LEU CD2 . 15644 1 785 . 1 1 65 65 LEU CG C 13 26.948 0.063 . 1 . . . . 63 LEU CG . 15644 1 786 . 1 1 65 65 LEU N N 15 120.893 0.057 . 1 . . . . 63 LEU N . 15644 1 787 . 1 1 66 66 ASN H H 1 6.904 0.005 . 1 . . . . 64 ASN H . 15644 1 788 . 1 1 66 66 ASN HA H 1 5.046 0.003 . 1 . . . . 64 ASN HA . 15644 1 789 . 1 1 66 66 ASN HB2 H 1 2.796 0.008 . 2 . . . . 64 ASN HB2 . 15644 1 790 . 1 1 66 66 ASN HB3 H 1 2.866 0.006 . 2 . . . . 64 ASN HB3 . 15644 1 791 . 1 1 66 66 ASN HD21 H 1 7.098 0.005 . 1 . . . . 64 ASN HD21 . 15644 1 792 . 1 1 66 66 ASN HD22 H 1 7.949 0.004 . 1 . . . . 64 ASN HD22 . 15644 1 793 . 1 1 66 66 ASN C C 13 171.786 0.000 . 1 . . . . 64 ASN C . 15644 1 794 . 1 1 66 66 ASN CA C 13 51.666 0.076 . 1 . . . . 64 ASN CA . 15644 1 795 . 1 1 66 66 ASN CB C 13 42.488 0.046 . 1 . . . . 64 ASN CB . 15644 1 796 . 1 1 66 66 ASN CG C 13 173.730 0.000 . 1 . . . . 64 ASN CG . 15644 1 797 . 1 1 66 66 ASN N N 15 115.640 0.053 . 1 . . . . 64 ASN N . 15644 1 798 . 1 1 66 66 ASN ND2 N 15 116.669 0.049 . 1 . . . . 64 ASN ND2 . 15644 1 799 . 1 1 67 67 VAL H H 1 8.607 0.006 . 1 . . . . 65 VAL H . 15644 1 800 . 1 1 67 67 VAL HA H 1 4.002 0.003 . 1 . . . . 65 VAL HA . 15644 1 801 . 1 1 67 67 VAL HB H 1 1.995 0.005 . 1 . . . . 65 VAL HB . 15644 1 802 . 1 1 67 67 VAL HG11 H 1 0.965 0.005 . 2 . . . . 65 VAL HG11 . 15644 1 803 . 1 1 67 67 VAL HG12 H 1 0.965 0.005 . 2 . . . . 65 VAL HG12 . 15644 1 804 . 1 1 67 67 VAL HG13 H 1 0.965 0.005 . 2 . . . . 65 VAL HG13 . 15644 1 805 . 1 1 67 67 VAL HG21 H 1 1.044 0.003 . 2 . . . . 65 VAL HG21 . 15644 1 806 . 1 1 67 67 VAL HG22 H 1 1.044 0.003 . 2 . . . . 65 VAL HG22 . 15644 1 807 . 1 1 67 67 VAL HG23 H 1 1.044 0.003 . 2 . . . . 65 VAL HG23 . 15644 1 808 . 1 1 67 67 VAL C C 13 173.408 0.000 . 1 . . . . 65 VAL C . 15644 1 809 . 1 1 67 67 VAL CA C 13 63.752 0.040 . 1 . . . . 65 VAL CA . 15644 1 810 . 1 1 67 67 VAL CB C 13 32.666 0.084 . 1 . . . . 65 VAL CB . 15644 1 811 . 1 1 67 67 VAL CG1 C 13 21.285 0.051 . 2 . . . . 65 VAL CG1 . 15644 1 812 . 1 1 67 67 VAL CG2 C 13 22.349 0.046 . 2 . . . . 65 VAL CG2 . 15644 1 813 . 1 1 67 67 VAL N N 15 121.585 0.033 . 1 . . . . 65 VAL N . 15644 1 814 . 1 1 68 68 GLY H H 1 9.071 0.005 . 1 . . . . 66 GLY H . 15644 1 815 . 1 1 68 68 GLY HA2 H 1 3.199 0.005 . 2 . . . . 66 GLY HA2 . 15644 1 816 . 1 1 68 68 GLY HA3 H 1 3.464 0.005 . 2 . . . . 66 GLY HA3 . 15644 1 817 . 1 1 68 68 GLY C C 13 169.871 0.000 . 1 . . . . 66 GLY C . 15644 1 818 . 1 1 68 68 GLY CA C 13 45.850 0.019 . 1 . . . . 66 GLY CA . 15644 1 819 . 1 1 68 68 GLY N N 15 112.522 0.032 . 1 . . . . 66 GLY N . 15644 1 820 . 1 1 69 69 VAL H H 1 8.490 0.006 . 1 . . . . 67 VAL H . 15644 1 821 . 1 1 69 69 VAL HA H 1 4.388 0.004 . 1 . . . . 67 VAL HA . 15644 1 822 . 1 1 69 69 VAL HB H 1 2.171 0.006 . 1 . . . . 67 VAL HB . 15644 1 823 . 1 1 69 69 VAL HG11 H 1 0.907 0.010 . 2 . . . . 67 VAL HG11 . 15644 1 824 . 1 1 69 69 VAL HG12 H 1 0.907 0.010 . 2 . . . . 67 VAL HG12 . 15644 1 825 . 1 1 69 69 VAL HG13 H 1 0.907 0.010 . 2 . . . . 67 VAL HG13 . 15644 1 826 . 1 1 69 69 VAL HG21 H 1 0.915 0.005 . 2 . . . . 67 VAL HG21 . 15644 1 827 . 1 1 69 69 VAL HG22 H 1 0.915 0.005 . 2 . . . . 67 VAL HG22 . 15644 1 828 . 1 1 69 69 VAL HG23 H 1 0.915 0.005 . 2 . . . . 67 VAL HG23 . 15644 1 829 . 1 1 69 69 VAL C C 13 172.158 0.000 . 1 . . . . 67 VAL C . 15644 1 830 . 1 1 69 69 VAL CA C 13 63.166 0.016 . 1 . . . . 67 VAL CA . 15644 1 831 . 1 1 69 69 VAL CB C 13 35.172 0.043 . 1 . . . . 67 VAL CB . 15644 1 832 . 1 1 69 69 VAL CG1 C 13 19.705 0.108 . 2 . . . . 67 VAL CG1 . 15644 1 833 . 1 1 69 69 VAL CG2 C 13 21.751 0.045 . 2 . . . . 67 VAL CG2 . 15644 1 834 . 1 1 69 69 VAL N N 15 118.335 0.052 . 1 . . . . 67 VAL N . 15644 1 835 . 1 1 70 70 ASN H H 1 8.168 0.004 . 1 . . . . 68 ASN H . 15644 1 836 . 1 1 70 70 ASN HA H 1 5.178 0.009 . 1 . . . . 68 ASN HA . 15644 1 837 . 1 1 70 70 ASN HB2 H 1 2.677 0.005 . 1 . . . . 68 ASN HB2 . 15644 1 838 . 1 1 70 70 ASN HB3 H 1 2.957 0.005 . 1 . . . . 68 ASN HB3 . 15644 1 839 . 1 1 70 70 ASN HD21 H 1 7.003 0.005 . 1 . . . . 68 ASN HD21 . 15644 1 840 . 1 1 70 70 ASN HD22 H 1 7.747 0.008 . 1 . . . . 68 ASN HD22 . 15644 1 841 . 1 1 70 70 ASN C C 13 171.668 0.000 . 1 . . . . 68 ASN C . 15644 1 842 . 1 1 70 70 ASN CA C 13 52.139 0.039 . 1 . . . . 68 ASN CA . 15644 1 843 . 1 1 70 70 ASN CB C 13 42.259 0.052 . 1 . . . . 68 ASN CB . 15644 1 844 . 1 1 70 70 ASN CG C 13 174.270 0.000 . 1 . . . . 68 ASN CG . 15644 1 845 . 1 1 70 70 ASN N N 15 119.079 0.057 . 1 . . . . 68 ASN N . 15644 1 846 . 1 1 70 70 ASN ND2 N 15 114.352 0.041 . 1 . . . . 68 ASN ND2 . 15644 1 847 . 1 1 71 71 ASP H H 1 8.497 0.006 . 1 . . . . 69 ASP H . 15644 1 848 . 1 1 71 71 ASP HA H 1 4.522 0.005 . 1 . . . . 69 ASP HA . 15644 1 849 . 1 1 71 71 ASP HB2 H 1 2.441 0.005 . 1 . . . . 69 ASP HB2 . 15644 1 850 . 1 1 71 71 ASP HB3 H 1 2.157 0.003 . 1 . . . . 69 ASP HB3 . 15644 1 851 . 1 1 71 71 ASP C C 13 172.307 0.000 . 1 . . . . 69 ASP C . 15644 1 852 . 1 1 71 71 ASP CA C 13 56.356 0.040 . 1 . . . . 69 ASP CA . 15644 1 853 . 1 1 71 71 ASP CB C 13 42.113 0.047 . 1 . . . . 69 ASP CB . 15644 1 854 . 1 1 71 71 ASP N N 15 121.257 0.033 . 1 . . . . 69 ASP N . 15644 1 855 . 1 1 72 72 ALA H H 1 8.246 0.004 . 1 . . . . 70 ALA H . 15644 1 856 . 1 1 72 72 ALA HA H 1 4.517 0.007 . 1 . . . . 70 ALA HA . 15644 1 857 . 1 1 72 72 ALA HB1 H 1 1.016 0.007 . 1 . . . . 70 ALA HB1 . 15644 1 858 . 1 1 72 72 ALA HB2 H 1 1.016 0.007 . 1 . . . . 70 ALA HB2 . 15644 1 859 . 1 1 72 72 ALA HB3 H 1 1.016 0.007 . 1 . . . . 70 ALA HB3 . 15644 1 860 . 1 1 72 72 ALA C C 13 173.478 0.000 . 1 . . . . 70 ALA C . 15644 1 861 . 1 1 72 72 ALA CA C 13 51.014 0.087 . 1 . . . . 70 ALA CA . 15644 1 862 . 1 1 72 72 ALA CB C 13 20.607 0.058 . 1 . . . . 70 ALA CB . 15644 1 863 . 1 1 72 72 ALA N N 15 121.383 0.034 . 1 . . . . 70 ALA N . 15644 1 864 . 1 1 73 73 PHE H H 1 8.885 0.006 . 1 . . . . 71 PHE H . 15644 1 865 . 1 1 73 73 PHE HA H 1 5.000 0.009 . 1 . . . . 71 PHE HA . 15644 1 866 . 1 1 73 73 PHE HB2 H 1 2.856 0.010 . 1 . . . . 71 PHE HB2 . 15644 1 867 . 1 1 73 73 PHE HB3 H 1 2.613 0.007 . 1 . . . . 71 PHE HB3 . 15644 1 868 . 1 1 73 73 PHE HD1 H 1 6.930 0.008 . 1 . . . . 71 PHE HD1 . 15644 1 869 . 1 1 73 73 PHE HD2 H 1 6.930 0.008 . 1 . . . . 71 PHE HD2 . 15644 1 870 . 1 1 73 73 PHE HE1 H 1 7.279 0.004 . 1 . . . . 71 PHE HE1 . 15644 1 871 . 1 1 73 73 PHE HE2 H 1 7.279 0.004 . 1 . . . . 71 PHE HE2 . 15644 1 872 . 1 1 73 73 PHE HZ H 1 7.325 0.004 . 1 . . . . 71 PHE HZ . 15644 1 873 . 1 1 73 73 PHE C C 13 174.457 0.000 . 1 . . . . 71 PHE C . 15644 1 874 . 1 1 73 73 PHE CA C 13 57.309 0.051 . 1 . . . . 71 PHE CA . 15644 1 875 . 1 1 73 73 PHE CB C 13 43.165 0.048 . 1 . . . . 71 PHE CB . 15644 1 876 . 1 1 73 73 PHE CD1 C 13 132.074 0.085 . 1 . . . . 71 PHE CD1 . 15644 1 877 . 1 1 73 73 PHE CD2 C 13 132.074 0.085 . 1 . . . . 71 PHE CD2 . 15644 1 878 . 1 1 73 73 PHE CE1 C 13 132.084 0.029 . 1 . . . . 71 PHE CE1 . 15644 1 879 . 1 1 73 73 PHE CE2 C 13 132.084 0.029 . 1 . . . . 71 PHE CE2 . 15644 1 880 . 1 1 73 73 PHE N N 15 117.906 0.054 . 1 . . . . 71 PHE N . 15644 1 881 . 1 1 74 74 TYR H H 1 9.340 0.005 . 1 . . . . 72 TYR H . 15644 1 882 . 1 1 74 74 TYR HA H 1 5.374 0.004 . 1 . . . . 72 TYR HA . 15644 1 883 . 1 1 74 74 TYR HB2 H 1 2.598 0.005 . 1 . . . . 72 TYR HB2 . 15644 1 884 . 1 1 74 74 TYR HB3 H 1 3.002 0.005 . 1 . . . . 72 TYR HB3 . 15644 1 885 . 1 1 74 74 TYR HD1 H 1 6.974 0.005 . 1 . . . . 72 TYR HD1 . 15644 1 886 . 1 1 74 74 TYR HD2 H 1 6.974 0.005 . 1 . . . . 72 TYR HD2 . 15644 1 887 . 1 1 74 74 TYR HE1 H 1 6.888 0.004 . 1 . . . . 72 TYR HE1 . 15644 1 888 . 1 1 74 74 TYR HE2 H 1 6.888 0.004 . 1 . . . . 72 TYR HE2 . 15644 1 889 . 1 1 74 74 TYR C C 13 175.817 0.000 . 1 . . . . 72 TYR C . 15644 1 890 . 1 1 74 74 TYR CA C 13 57.910 0.045 . 1 . . . . 72 TYR CA . 15644 1 891 . 1 1 74 74 TYR CB C 13 42.249 0.122 . 1 . . . . 72 TYR CB . 15644 1 892 . 1 1 74 74 TYR CD1 C 13 133.409 0.166 . 1 . . . . 72 TYR CD1 . 15644 1 893 . 1 1 74 74 TYR CD2 C 13 133.409 0.166 . 1 . . . . 72 TYR CD2 . 15644 1 894 . 1 1 74 74 TYR CE1 C 13 119.112 0.065 . 1 . . . . 72 TYR CE1 . 15644 1 895 . 1 1 74 74 TYR CE2 C 13 119.112 0.065 . 1 . . . . 72 TYR CE2 . 15644 1 896 . 1 1 74 74 TYR N N 15 119.488 0.053 . 1 . . . . 72 TYR N . 15644 1 897 . 1 1 75 75 CYS H H 1 9.568 0.004 . 1 . . . . 73 CYS H . 15644 1 898 . 1 1 75 75 CYS HA H 1 5.086 0.004 . 1 . . . . 73 CYS HA . 15644 1 899 . 1 1 75 75 CYS HB2 H 1 3.390 0.010 . 1 . . . . 73 CYS HB2 . 15644 1 900 . 1 1 75 75 CYS HB3 H 1 3.133 0.009 . 1 . . . . 73 CYS HB3 . 15644 1 901 . 1 1 75 75 CYS C C 13 173.670 0.000 . 1 . . . . 73 CYS C . 15644 1 902 . 1 1 75 75 CYS CA C 13 59.096 0.046 . 1 . . . . 73 CYS CA . 15644 1 903 . 1 1 75 75 CYS CB C 13 33.221 0.041 . 1 . . . . 73 CYS CB . 15644 1 904 . 1 1 75 75 CYS N N 15 126.653 0.038 . 1 . . . . 73 CYS N . 15644 1 905 . 1 1 76 76 TRP H H 1 9.053 0.004 . 1 . . . . 74 TRP H . 15644 1 906 . 1 1 76 76 TRP HA H 1 3.798 0.006 . 1 . . . . 74 TRP HA . 15644 1 907 . 1 1 76 76 TRP HB2 H 1 3.456 0.005 . 1 . . . . 74 TRP HB2 . 15644 1 908 . 1 1 76 76 TRP HB3 H 1 3.358 0.007 . 1 . . . . 74 TRP HB3 . 15644 1 909 . 1 1 76 76 TRP HD1 H 1 7.273 0.005 . 1 . . . . 74 TRP HD1 . 15644 1 910 . 1 1 76 76 TRP HE1 H 1 10.195 0.008 . 1 . . . . 74 TRP HE1 . 15644 1 911 . 1 1 76 76 TRP HE3 H 1 7.507 0.005 . 1 . . . . 74 TRP HE3 . 15644 1 912 . 1 1 76 76 TRP HH2 H 1 7.275 0.005 . 1 . . . . 74 TRP HH2 . 15644 1 913 . 1 1 76 76 TRP HZ2 H 1 7.543 0.004 . 1 . . . . 74 TRP HZ2 . 15644 1 914 . 1 1 76 76 TRP HZ3 H 1 7.229 0.005 . 1 . . . . 74 TRP HZ3 . 15644 1 915 . 1 1 76 76 TRP C C 13 176.230 0.000 . 1 . . . . 74 TRP C . 15644 1 916 . 1 1 76 76 TRP CA C 13 62.675 0.037 . 1 . . . . 74 TRP CA . 15644 1 917 . 1 1 76 76 TRP CB C 13 30.440 0.107 . 1 . . . . 74 TRP CB . 15644 1 918 . 1 1 76 76 TRP CD1 C 13 127.815 0.119 . 1 . . . . 74 TRP CD1 . 15644 1 919 . 1 1 76 76 TRP CE2 C 13 136.489 0.000 . 1 . . . . 74 TRP CE2 . 15644 1 920 . 1 1 76 76 TRP CE3 C 13 120.898 0.073 . 1 . . . . 74 TRP CE3 . 15644 1 921 . 1 1 76 76 TRP CH2 C 13 125.224 0.062 . 1 . . . . 74 TRP CH2 . 15644 1 922 . 1 1 76 76 TRP CZ2 C 13 115.065 0.058 . 1 . . . . 74 TRP CZ2 . 15644 1 923 . 1 1 76 76 TRP CZ3 C 13 122.211 0.069 . 1 . . . . 74 TRP CZ3 . 15644 1 924 . 1 1 76 76 TRP N N 15 119.181 0.033 . 1 . . . . 74 TRP N . 15644 1 925 . 1 1 76 76 TRP NE1 N 15 129.804 0.022 . 1 . . . . 74 TRP NE1 . 15644 1 926 . 1 1 77 77 GLU H H 1 8.152 0.007 . 1 . . . . 75 GLU H . 15644 1 927 . 1 1 77 77 GLU HA H 1 4.420 0.004 . 1 . . . . 75 GLU HA . 15644 1 928 . 1 1 77 77 GLU HB2 H 1 2.256 0.004 . 2 . . . . 75 GLU HB2 . 15644 1 929 . 1 1 77 77 GLU HB3 H 1 2.282 0.003 . 2 . . . . 75 GLU HB3 . 15644 1 930 . 1 1 77 77 GLU HG2 H 1 2.386 0.006 . 2 . . . . 75 GLU HG2 . 15644 1 931 . 1 1 77 77 GLU HG3 H 1 2.419 0.003 . 2 . . . . 75 GLU HG3 . 15644 1 932 . 1 1 77 77 GLU C C 13 176.243 0.000 . 1 . . . . 75 GLU C . 15644 1 933 . 1 1 77 77 GLU CA C 13 59.507 0.039 . 1 . . . . 75 GLU CA . 15644 1 934 . 1 1 77 77 GLU CB C 13 30.152 0.065 . 1 . . . . 75 GLU CB . 15644 1 935 . 1 1 77 77 GLU CG C 13 35.821 0.049 . 1 . . . . 75 GLU CG . 15644 1 936 . 1 1 77 77 GLU N N 15 121.055 0.053 . 1 . . . . 75 GLU N . 15644 1 937 . 1 1 78 78 CYS H H 1 9.437 0.005 . 1 . . . . 76 CYS H . 15644 1 938 . 1 1 78 78 CYS HA H 1 3.876 0.003 . 1 . . . . 76 CYS HA . 15644 1 939 . 1 1 78 78 CYS HB2 H 1 3.176 0.010 . 1 . . . . 76 CYS HB2 . 15644 1 940 . 1 1 78 78 CYS HB3 H 1 2.677 0.006 . 1 . . . . 76 CYS HB3 . 15644 1 941 . 1 1 78 78 CYS C C 13 177.012 0.000 . 1 . . . . 76 CYS C . 15644 1 942 . 1 1 78 78 CYS CA C 13 67.641 0.034 . 1 . . . . 76 CYS CA . 15644 1 943 . 1 1 78 78 CYS CB C 13 28.355 0.033 . 1 . . . . 76 CYS CB . 15644 1 944 . 1 1 78 78 CYS N N 15 124.827 0.033 . 1 . . . . 76 CYS N . 15644 1 945 . 1 1 79 79 CYS H H 1 8.057 0.003 . 1 . . . . 77 CYS H . 15644 1 946 . 1 1 79 79 CYS HA H 1 4.260 0.002 . 1 . . . . 77 CYS HA . 15644 1 947 . 1 1 79 79 CYS HB2 H 1 2.650 0.015 . 1 . . . . 77 CYS HB2 . 15644 1 948 . 1 1 79 79 CYS HB3 H 1 2.650 0.015 . 1 . . . . 77 CYS HB3 . 15644 1 949 . 1 1 79 79 CYS C C 13 175.763 0.000 . 1 . . . . 77 CYS C . 15644 1 950 . 1 1 79 79 CYS CA C 13 63.155 0.046 . 1 . . . . 77 CYS CA . 15644 1 951 . 1 1 79 79 CYS CB C 13 27.365 0.023 . 1 . . . . 77 CYS CB . 15644 1 952 . 1 1 79 79 CYS N N 15 116.005 0.056 . 1 . . . . 77 CYS N . 15644 1 953 . 1 1 80 80 ARG H H 1 8.211 0.004 . 1 . . . . 78 ARG H . 15644 1 954 . 1 1 80 80 ARG HA H 1 3.828 0.008 . 1 . . . . 78 ARG HA . 15644 1 955 . 1 1 80 80 ARG HB2 H 1 1.618 0.003 . 1 . . . . 78 ARG HB2 . 15644 1 956 . 1 1 80 80 ARG HB3 H 1 2.082 0.010 . 1 . . . . 78 ARG HB3 . 15644 1 957 . 1 1 80 80 ARG HD2 H 1 3.025 0.003 . 2 . . . . 78 ARG HD2 . 15644 1 958 . 1 1 80 80 ARG HD3 H 1 3.375 0.007 . 2 . . . . 78 ARG HD3 . 15644 1 959 . 1 1 80 80 ARG HG2 H 1 1.442 0.013 . 2 . . . . 78 ARG HG2 . 15644 1 960 . 1 1 80 80 ARG HG3 H 1 1.566 0.003 . 2 . . . . 78 ARG HG3 . 15644 1 961 . 1 1 80 80 ARG C C 13 176.180 0.000 . 1 . . . . 78 ARG C . 15644 1 962 . 1 1 80 80 ARG CA C 13 59.884 0.074 . 1 . . . . 78 ARG CA . 15644 1 963 . 1 1 80 80 ARG CB C 13 30.410 0.049 . 1 . . . . 78 ARG CB . 15644 1 964 . 1 1 80 80 ARG CD C 13 43.700 0.091 . 1 . . . . 78 ARG CD . 15644 1 965 . 1 1 80 80 ARG CG C 13 27.780 0.088 . 1 . . . . 78 ARG CG . 15644 1 966 . 1 1 80 80 ARG N N 15 125.342 0.049 . 1 . . . . 78 ARG N . 15644 1 967 . 1 1 81 81 LEU H H 1 7.629 0.005 . 1 . . . . 79 LEU H . 15644 1 968 . 1 1 81 81 LEU HA H 1 4.256 0.001 . 1 . . . . 79 LEU HA . 15644 1 969 . 1 1 81 81 LEU HB2 H 1 1.750 0.002 . 1 . . . . 79 LEU HB2 . 15644 1 970 . 1 1 81 81 LEU HB3 H 1 1.684 0.005 . 1 . . . . 79 LEU HB3 . 15644 1 971 . 1 1 81 81 LEU HD11 H 1 0.871 0.002 . 2 . . . . 79 LEU HD11 . 15644 1 972 . 1 1 81 81 LEU HD12 H 1 0.871 0.002 . 2 . . . . 79 LEU HD12 . 15644 1 973 . 1 1 81 81 LEU HD13 H 1 0.871 0.002 . 2 . . . . 79 LEU HD13 . 15644 1 974 . 1 1 81 81 LEU HD21 H 1 0.920 0.001 . 2 . . . . 79 LEU HD21 . 15644 1 975 . 1 1 81 81 LEU HD22 H 1 0.920 0.001 . 2 . . . . 79 LEU HD22 . 15644 1 976 . 1 1 81 81 LEU HD23 H 1 0.920 0.001 . 2 . . . . 79 LEU HD23 . 15644 1 977 . 1 1 81 81 LEU HG H 1 1.731 0.001 . 1 . . . . 79 LEU HG . 15644 1 978 . 1 1 81 81 LEU C C 13 174.914 0.000 . 1 . . . . 79 LEU C . 15644 1 979 . 1 1 81 81 LEU CA C 13 55.191 0.027 . 1 . . . . 79 LEU CA . 15644 1 980 . 1 1 81 81 LEU CB C 13 43.811 0.055 . 1 . . . . 79 LEU CB . 15644 1 981 . 1 1 81 81 LEU CD1 C 13 22.504 0.017 . 2 . . . . 79 LEU CD1 . 15644 1 982 . 1 1 81 81 LEU CD2 C 13 26.153 0.027 . 2 . . . . 79 LEU CD2 . 15644 1 983 . 1 1 81 81 LEU CG C 13 27.165 0.036 . 1 . . . . 79 LEU CG . 15644 1 984 . 1 1 81 81 LEU N N 15 116.124 0.042 . 1 . . . . 79 LEU N . 15644 1 985 . 1 1 82 82 GLY H H 1 7.721 0.005 . 1 . . . . 80 GLY H . 15644 1 986 . 1 1 82 82 GLY HA2 H 1 3.974 0.002 . 2 . . . . 80 GLY HA2 . 15644 1 987 . 1 1 82 82 GLY HA3 H 1 4.087 0.002 . 2 . . . . 80 GLY HA3 . 15644 1 988 . 1 1 82 82 GLY C C 13 173.762 0.000 . 1 . . . . 80 GLY C . 15644 1 989 . 1 1 82 82 GLY CA C 13 46.407 0.029 . 1 . . . . 80 GLY CA . 15644 1 990 . 1 1 82 82 GLY N N 15 108.122 0.060 . 1 . . . . 80 GLY N . 15644 1 991 . 1 1 83 83 LYS H H 1 8.444 0.005 . 1 . . . . 81 LYS H . 15644 1 992 . 1 1 83 83 LYS HA H 1 4.183 0.003 . 1 . . . . 81 LYS HA . 15644 1 993 . 1 1 83 83 LYS HB2 H 1 1.535 0.010 . 1 . . . . 81 LYS HB2 . 15644 1 994 . 1 1 83 83 LYS HB3 H 1 2.142 0.009 . 1 . . . . 81 LYS HB3 . 15644 1 995 . 1 1 83 83 LYS HD2 H 1 1.791 0.001 . 1 . . . . 81 LYS HD2 . 15644 1 996 . 1 1 83 83 LYS HD3 H 1 1.791 0.001 . 1 . . . . 81 LYS HD3 . 15644 1 997 . 1 1 83 83 LYS HE2 H 1 2.974 0.002 . 1 . . . . 81 LYS HE2 . 15644 1 998 . 1 1 83 83 LYS HE3 H 1 2.974 0.002 . 1 . . . . 81 LYS HE3 . 15644 1 999 . 1 1 83 83 LYS HG2 H 1 1.504 0.003 . 1 . . . . 81 LYS HG2 . 15644 1 1000 . 1 1 83 83 LYS HG3 H 1 1.504 0.003 . 1 . . . . 81 LYS HG3 . 15644 1 1001 . 1 1 83 83 LYS C C 13 174.070 0.000 . 1 . . . . 81 LYS C . 15644 1 1002 . 1 1 83 83 LYS CA C 13 57.556 0.024 . 1 . . . . 81 LYS CA . 15644 1 1003 . 1 1 83 83 LYS CB C 13 32.773 0.031 . 1 . . . . 81 LYS CB . 15644 1 1004 . 1 1 83 83 LYS CD C 13 29.483 0.042 . 1 . . . . 81 LYS CD . 15644 1 1005 . 1 1 83 83 LYS CE C 13 42.568 0.047 . 1 . . . . 81 LYS CE . 15644 1 1006 . 1 1 83 83 LYS CG C 13 25.751 0.040 . 1 . . . . 81 LYS CG . 15644 1 1007 . 1 1 83 83 LYS N N 15 118.937 0.063 . 1 . . . . 81 LYS N . 15644 1 1008 . 1 1 84 84 ASP H H 1 9.254 0.004 . 1 . . . . 82 ASP H . 15644 1 1009 . 1 1 84 84 ASP HA H 1 3.228 0.002 . 1 . . . . 82 ASP HA . 15644 1 1010 . 1 1 84 84 ASP HB2 H 1 1.867 0.005 . 1 . . . . 82 ASP HB2 . 15644 1 1011 . 1 1 84 84 ASP HB3 H 1 1.604 0.006 . 1 . . . . 82 ASP HB3 . 15644 1 1012 . 1 1 84 84 ASP C C 13 173.633 0.000 . 1 . . . . 82 ASP C . 15644 1 1013 . 1 1 84 84 ASP CA C 13 54.777 0.041 . 1 . . . . 82 ASP CA . 15644 1 1014 . 1 1 84 84 ASP CB C 13 40.518 0.057 . 1 . . . . 82 ASP CB . 15644 1 1015 . 1 1 84 84 ASP N N 15 115.168 0.060 . 1 . . . . 82 ASP N . 15644 1 1016 . 1 1 85 85 LYS H H 1 7.201 0.006 . 1 . . . . 83 LYS H . 15644 1 1017 . 1 1 85 85 LYS HA H 1 4.274 0.005 . 1 . . . . 83 LYS HA . 15644 1 1018 . 1 1 85 85 LYS HB2 H 1 1.649 0.009 . 2 . . . . 83 LYS HB2 . 15644 1 1019 . 1 1 85 85 LYS HB3 H 1 1.985 0.003 . 2 . . . . 83 LYS HB3 . 15644 1 1020 . 1 1 85 85 LYS HD2 H 1 1.568 0.006 . 1 . . . . 83 LYS HD2 . 15644 1 1021 . 1 1 85 85 LYS HD3 H 1 1.568 0.006 . 1 . . . . 83 LYS HD3 . 15644 1 1022 . 1 1 85 85 LYS HE2 H 1 2.957 0.003 . 1 . . . . 83 LYS HE2 . 15644 1 1023 . 1 1 85 85 LYS HE3 H 1 2.957 0.003 . 1 . . . . 83 LYS HE3 . 15644 1 1024 . 1 1 85 85 LYS HG2 H 1 1.197 0.002 . 2 . . . . 83 LYS HG2 . 15644 1 1025 . 1 1 85 85 LYS HG3 H 1 1.279 0.018 . 2 . . . . 83 LYS HG3 . 15644 1 1026 . 1 1 85 85 LYS C C 13 174.811 0.000 . 1 . . . . 83 LYS C . 15644 1 1027 . 1 1 85 85 LYS CA C 13 56.026 0.057 . 1 . . . . 83 LYS CA . 15644 1 1028 . 1 1 85 85 LYS CB C 13 32.722 0.037 . 1 . . . . 83 LYS CB . 15644 1 1029 . 1 1 85 85 LYS CD C 13 29.072 0.040 . 1 . . . . 83 LYS CD . 15644 1 1030 . 1 1 85 85 LYS CE C 13 42.539 0.009 . 1 . . . . 83 LYS CE . 15644 1 1031 . 1 1 85 85 LYS CG C 13 24.916 0.049 . 1 . . . . 83 LYS CG . 15644 1 1032 . 1 1 85 85 LYS N N 15 117.713 0.050 . 1 . . . . 83 LYS N . 15644 1 1033 . 1 1 86 86 ASP H H 1 7.569 0.008 . 1 . . . . 84 ASP H . 15644 1 1034 . 1 1 86 86 ASP HA H 1 4.464 0.004 . 1 . . . . 84 ASP HA . 15644 1 1035 . 1 1 86 86 ASP HB2 H 1 2.672 0.008 . 1 . . . . 84 ASP HB2 . 15644 1 1036 . 1 1 86 86 ASP HB3 H 1 2.672 0.008 . 1 . . . . 84 ASP HB3 . 15644 1 1037 . 1 1 86 86 ASP C C 13 172.983 0.000 . 1 . . . . 84 ASP C . 15644 1 1038 . 1 1 86 86 ASP CA C 13 57.099 0.025 . 1 . . . . 84 ASP CA . 15644 1 1039 . 1 1 86 86 ASP CB C 13 41.158 0.029 . 1 . . . . 84 ASP CB . 15644 1 1040 . 1 1 86 86 ASP N N 15 120.034 0.028 . 1 . . . . 84 ASP N . 15644 1 1041 . 1 1 87 87 GLY H H 1 7.788 0.005 . 1 . . . . 85 GLY H . 15644 1 1042 . 1 1 87 87 GLY HA2 H 1 3.359 0.005 . 2 . . . . 85 GLY HA2 . 15644 1 1043 . 1 1 87 87 GLY HA3 H 1 4.316 0.006 . 2 . . . . 85 GLY HA3 . 15644 1 1044 . 1 1 87 87 GLY C C 13 169.001 0.000 . 1 . . . . 85 GLY C . 15644 1 1045 . 1 1 87 87 GLY CA C 13 43.742 0.021 . 1 . . . . 85 GLY CA . 15644 1 1046 . 1 1 87 87 GLY N N 15 104.241 0.029 . 1 . . . . 85 GLY N . 15644 1 1047 . 1 1 88 88 CYS H H 1 8.835 0.009 . 1 . . . . 86 CYS H . 15644 1 1048 . 1 1 88 88 CYS HA H 1 4.363 0.008 . 1 . . . . 86 CYS HA . 15644 1 1049 . 1 1 88 88 CYS HB2 H 1 2.734 0.009 . 1 . . . . 86 CYS HB2 . 15644 1 1050 . 1 1 88 88 CYS HB3 H 1 3.131 0.010 . 1 . . . . 86 CYS HB3 . 15644 1 1051 . 1 1 88 88 CYS CA C 13 58.170 0.016 . 1 . . . . 86 CYS CA . 15644 1 1052 . 1 1 88 88 CYS CB C 13 32.013 0.088 . 1 . . . . 86 CYS CB . 15644 1 1053 . 1 1 88 88 CYS N N 15 121.992 0.065 . 1 . . . . 86 CYS N . 15644 1 1054 . 1 1 89 89 PRO HA H 1 5.101 0.007 . 1 . . . . 87 PRO HA . 15644 1 1055 . 1 1 89 89 PRO HB2 H 1 2.153 0.009 . 2 . . . . 87 PRO HB2 . 15644 1 1056 . 1 1 89 89 PRO HB3 H 1 2.205 0.008 . 2 . . . . 87 PRO HB3 . 15644 1 1057 . 1 1 89 89 PRO HD2 H 1 3.714 0.008 . 2 . . . . 87 PRO HD2 . 15644 1 1058 . 1 1 89 89 PRO HD3 H 1 4.120 0.004 . 2 . . . . 87 PRO HD3 . 15644 1 1059 . 1 1 89 89 PRO HG2 H 1 1.406 0.012 . 2 . . . . 87 PRO HG2 . 15644 1 1060 . 1 1 89 89 PRO HG3 H 1 1.991 0.006 . 2 . . . . 87 PRO HG3 . 15644 1 1061 . 1 1 89 89 PRO C C 13 173.322 0.000 . 1 . . . . 87 PRO C . 15644 1 1062 . 1 1 89 89 PRO CA C 13 63.936 0.085 . 1 . . . . 87 PRO CA . 15644 1 1063 . 1 1 89 89 PRO CB C 13 30.783 0.058 . 1 . . . . 87 PRO CB . 15644 1 1064 . 1 1 89 89 PRO CD C 13 50.943 0.056 . 1 . . . . 87 PRO CD . 15644 1 1065 . 1 1 89 89 PRO CG C 13 27.741 0.068 . 1 . . . . 87 PRO CG . 15644 1 1066 . 1 1 90 90 ARG H H 1 7.802 0.008 . 1 . . . . 88 ARG H . 15644 1 1067 . 1 1 90 90 ARG HA H 1 4.043 0.004 . 1 . . . . 88 ARG HA . 15644 1 1068 . 1 1 90 90 ARG HB2 H 1 1.889 0.014 . 1 . . . . 88 ARG HB2 . 15644 1 1069 . 1 1 90 90 ARG HB3 H 1 1.889 0.012 . 1 . . . . 88 ARG HB3 . 15644 1 1070 . 1 1 90 90 ARG HD2 H 1 3.382 0.008 . 2 . . . . 88 ARG HD2 . 15644 1 1071 . 1 1 90 90 ARG HD3 H 1 3.520 0.009 . 2 . . . . 88 ARG HD3 . 15644 1 1072 . 1 1 90 90 ARG HE H 1 7.619 0.006 . 1 . . . . 88 ARG HE . 15644 1 1073 . 1 1 90 90 ARG HG2 H 1 1.466 0.005 . 2 . . . . 88 ARG HG2 . 15644 1 1074 . 1 1 90 90 ARG HG3 H 1 1.956 0.011 . 2 . . . . 88 ARG HG3 . 15644 1 1075 . 1 1 90 90 ARG C C 13 172.606 0.000 . 1 . . . . 88 ARG C . 15644 1 1076 . 1 1 90 90 ARG CA C 13 59.736 0.040 . 1 . . . . 88 ARG CA . 15644 1 1077 . 1 1 90 90 ARG CB C 13 30.660 0.072 . 1 . . . . 88 ARG CB . 15644 1 1078 . 1 1 90 90 ARG CD C 13 43.560 0.055 . 1 . . . . 88 ARG CD . 15644 1 1079 . 1 1 90 90 ARG CG C 13 29.482 0.051 . 1 . . . . 88 ARG CG . 15644 1 1080 . 1 1 90 90 ARG CZ C 13 156.845 0.000 . 1 . . . . 88 ARG CZ . 15644 1 1081 . 1 1 90 90 ARG N N 15 120.860 0.048 . 1 . . . . 88 ARG N . 15644 1 1082 . 1 1 90 90 ARG NE N 15 85.516 0.170 . 1 . . . . 88 ARG NE . 15644 1 1083 . 1 1 91 91 ILE H H 1 8.786 0.012 . 1 . . . . 89 ILE H . 15644 1 1084 . 1 1 91 91 ILE HA H 1 4.369 0.007 . 1 . . . . 89 ILE HA . 15644 1 1085 . 1 1 91 91 ILE HB H 1 1.941 0.004 . 1 . . . . 89 ILE HB . 15644 1 1086 . 1 1 91 91 ILE HD11 H 1 0.895 0.005 . 1 . . . . 89 ILE HD11 . 15644 1 1087 . 1 1 91 91 ILE HD12 H 1 0.895 0.005 . 1 . . . . 89 ILE HD12 . 15644 1 1088 . 1 1 91 91 ILE HD13 H 1 0.895 0.005 . 1 . . . . 89 ILE HD13 . 15644 1 1089 . 1 1 91 91 ILE HG12 H 1 1.392 0.005 . 2 . . . . 89 ILE HG12 . 15644 1 1090 . 1 1 91 91 ILE HG13 H 1 1.767 0.003 . 2 . . . . 89 ILE HG13 . 15644 1 1091 . 1 1 91 91 ILE HG21 H 1 0.919 0.006 . 1 . . . . 89 ILE HG21 . 15644 1 1092 . 1 1 91 91 ILE HG22 H 1 0.919 0.006 . 1 . . . . 89 ILE HG22 . 15644 1 1093 . 1 1 91 91 ILE HG23 H 1 0.919 0.006 . 1 . . . . 89 ILE HG23 . 15644 1 1094 . 1 1 91 91 ILE C C 13 174.798 0.000 . 1 . . . . 89 ILE C . 15644 1 1095 . 1 1 91 91 ILE CA C 13 60.477 0.046 . 1 . . . . 89 ILE CA . 15644 1 1096 . 1 1 91 91 ILE CB C 13 37.836 0.045 . 1 . . . . 89 ILE CB . 15644 1 1097 . 1 1 91 91 ILE CD1 C 13 12.680 0.030 . 1 . . . . 89 ILE CD1 . 15644 1 1098 . 1 1 91 91 ILE CG1 C 13 28.137 0.057 . 1 . . . . 89 ILE CG1 . 15644 1 1099 . 1 1 91 91 ILE CG2 C 13 19.481 0.074 . 1 . . . . 89 ILE CG2 . 15644 1 1100 . 1 1 91 91 ILE N N 15 123.947 0.030 . 1 . . . . 89 ILE N . 15644 1 1101 . 1 1 92 92 LEU H H 1 8.896 0.007 . 1 . . . . 90 LEU H . 15644 1 1102 . 1 1 92 92 LEU HA H 1 4.383 0.003 . 1 . . . . 90 LEU HA . 15644 1 1103 . 1 1 92 92 LEU HB2 H 1 1.416 0.006 . 2 . . . . 90 LEU HB2 . 15644 1 1104 . 1 1 92 92 LEU HB3 H 1 1.574 0.003 . 2 . . . . 90 LEU HB3 . 15644 1 1105 . 1 1 92 92 LEU HD11 H 1 0.742 0.005 . 2 . . . . 90 LEU HD11 . 15644 1 1106 . 1 1 92 92 LEU HD12 H 1 0.742 0.005 . 2 . . . . 90 LEU HD12 . 15644 1 1107 . 1 1 92 92 LEU HD13 H 1 0.742 0.005 . 2 . . . . 90 LEU HD13 . 15644 1 1108 . 1 1 92 92 LEU HD21 H 1 0.870 0.004 . 2 . . . . 90 LEU HD21 . 15644 1 1109 . 1 1 92 92 LEU HD22 H 1 0.870 0.004 . 2 . . . . 90 LEU HD22 . 15644 1 1110 . 1 1 92 92 LEU HD23 H 1 0.870 0.004 . 2 . . . . 90 LEU HD23 . 15644 1 1111 . 1 1 92 92 LEU HG H 1 1.481 0.004 . 1 . . . . 90 LEU HG . 15644 1 1112 . 1 1 92 92 LEU C C 13 174.663 0.000 . 1 . . . . 90 LEU C . 15644 1 1113 . 1 1 92 92 LEU CA C 13 55.177 0.024 . 1 . . . . 90 LEU CA . 15644 1 1114 . 1 1 92 92 LEU CB C 13 42.856 0.023 . 1 . . . . 90 LEU CB . 15644 1 1115 . 1 1 92 92 LEU CD1 C 13 22.882 0.050 . 2 . . . . 90 LEU CD1 . 15644 1 1116 . 1 1 92 92 LEU CD2 C 13 26.187 0.036 . 2 . . . . 90 LEU CD2 . 15644 1 1117 . 1 1 92 92 LEU CG C 13 27.407 0.037 . 1 . . . . 90 LEU CG . 15644 1 1118 . 1 1 92 92 LEU N N 15 126.675 0.056 . 1 . . . . 90 LEU N . 15644 1 1119 . 1 1 93 93 ASN H H 1 8.249 0.006 . 1 . . . . 91 ASN H . 15644 1 1120 . 1 1 93 93 ASN HA H 1 4.820 0.003 . 1 . . . . 91 ASN HA . 15644 1 1121 . 1 1 93 93 ASN HB2 H 1 2.701 0.003 . 2 . . . . 91 ASN HB2 . 15644 1 1122 . 1 1 93 93 ASN HB3 H 1 2.763 0.015 . 2 . . . . 91 ASN HB3 . 15644 1 1123 . 1 1 93 93 ASN HD21 H 1 6.969 0.004 . 1 . . . . 91 ASN HD21 . 15644 1 1124 . 1 1 93 93 ASN HD22 H 1 7.575 0.006 . 1 . . . . 91 ASN HD22 . 15644 1 1125 . 1 1 93 93 ASN C C 13 172.473 0.000 . 1 . . . . 91 ASN C . 15644 1 1126 . 1 1 93 93 ASN CA C 13 53.184 0.067 . 1 . . . . 91 ASN CA . 15644 1 1127 . 1 1 93 93 ASN CB C 13 39.255 0.055 . 1 . . . . 91 ASN CB . 15644 1 1128 . 1 1 93 93 ASN CG C 13 175.032 0.000 . 1 . . . . 91 ASN CG . 15644 1 1129 . 1 1 93 93 ASN N N 15 117.391 0.038 . 1 . . . . 91 ASN N . 15644 1 1130 . 1 1 93 93 ASN ND2 N 15 112.065 0.051 . 1 . . . . 91 ASN ND2 . 15644 1 1131 . 1 1 94 94 LEU H H 1 8.223 0.010 . 1 . . . . 92 LEU H . 15644 1 1132 . 1 1 94 94 LEU HA H 1 4.328 0.006 . 1 . . . . 92 LEU HA . 15644 1 1133 . 1 1 94 94 LEU HB2 H 1 1.587 0.001 . 2 . . . . 92 LEU HB2 . 15644 1 1134 . 1 1 94 94 LEU HB3 H 1 1.610 0.007 . 2 . . . . 92 LEU HB3 . 15644 1 1135 . 1 1 94 94 LEU HD11 H 1 0.842 0.003 . 2 . . . . 92 LEU HD11 . 15644 1 1136 . 1 1 94 94 LEU HD12 H 1 0.842 0.003 . 2 . . . . 92 LEU HD12 . 15644 1 1137 . 1 1 94 94 LEU HD13 H 1 0.842 0.003 . 2 . . . . 92 LEU HD13 . 15644 1 1138 . 1 1 94 94 LEU HD21 H 1 0.897 0.005 . 2 . . . . 92 LEU HD21 . 15644 1 1139 . 1 1 94 94 LEU HD22 H 1 0.897 0.005 . 2 . . . . 92 LEU HD22 . 15644 1 1140 . 1 1 94 94 LEU HD23 H 1 0.897 0.005 . 2 . . . . 92 LEU HD23 . 15644 1 1141 . 1 1 94 94 LEU HG H 1 1.595 0.001 . 1 . . . . 92 LEU HG . 15644 1 1142 . 1 1 94 94 LEU C C 13 175.384 0.000 . 1 . . . . 92 LEU C . 15644 1 1143 . 1 1 94 94 LEU CA C 13 55.849 0.045 . 1 . . . . 92 LEU CA . 15644 1 1144 . 1 1 94 94 LEU CB C 13 43.041 0.051 . 1 . . . . 92 LEU CB . 15644 1 1145 . 1 1 94 94 LEU CD1 C 13 24.065 0.027 . 2 . . . . 92 LEU CD1 . 15644 1 1146 . 1 1 94 94 LEU CD2 C 13 25.396 0.032 . 2 . . . . 92 LEU CD2 . 15644 1 1147 . 1 1 94 94 LEU CG C 13 27.408 0.044 . 1 . . . . 92 LEU CG . 15644 1 1148 . 1 1 94 94 LEU N N 15 122.526 0.092 . 1 . . . . 92 LEU N . 15644 1 1149 . 1 1 95 95 GLY H H 1 8.500 0.009 . 1 . . . . 93 GLY H . 15644 1 1150 . 1 1 95 95 GLY HA2 H 1 3.957 0.012 . 2 . . . . 93 GLY HA2 . 15644 1 1151 . 1 1 95 95 GLY HA3 H 1 3.964 0.004 . 2 . . . . 93 GLY HA3 . 15644 1 1152 . 1 1 95 95 GLY CA C 13 45.905 0.014 . 1 . . . . 93 GLY CA . 15644 1 1153 . 1 1 95 95 GLY N N 15 109.435 0.011 . 1 . . . . 93 GLY N . 15644 1 1154 . 1 1 96 96 SER HA H 1 4.415 0.002 . 1 . . . . 94 SER HA . 15644 1 1155 . 1 1 96 96 SER HB2 H 1 3.841 0.001 . 2 . . . . 94 SER HB2 . 15644 1 1156 . 1 1 96 96 SER HB3 H 1 3.900 0.001 . 2 . . . . 94 SER HB3 . 15644 1 1157 . 1 1 96 96 SER CA C 13 59.063 0.036 . 1 . . . . 94 SER CA . 15644 1 1158 . 1 1 96 96 SER CB C 13 64.246 0.007 . 1 . . . . 94 SER CB . 15644 1 1159 . 1 1 97 97 ASN HA H 1 4.709 0.002 . 1 . . . . 95 ASN HA . 15644 1 1160 . 1 1 97 97 ASN HB2 H 1 2.782 0.002 . 2 . . . . 95 ASN HB2 . 15644 1 1161 . 1 1 97 97 ASN HB3 H 1 2.824 0.004 . 2 . . . . 95 ASN HB3 . 15644 1 1162 . 1 1 97 97 ASN HD21 H 1 6.921 0.006 . 1 . . . . 95 ASN HD21 . 15644 1 1163 . 1 1 97 97 ASN HD22 H 1 7.612 0.004 . 1 . . . . 95 ASN HD22 . 15644 1 1164 . 1 1 97 97 ASN C C 13 172.928 0.000 . 1 . . . . 95 ASN C . 15644 1 1165 . 1 1 97 97 ASN CA C 13 53.854 0.032 . 1 . . . . 95 ASN CA . 15644 1 1166 . 1 1 97 97 ASN CB C 13 39.226 0.021 . 1 . . . . 95 ASN CB . 15644 1 1167 . 1 1 97 97 ASN CG C 13 174.740 0.000 . 1 . . . . 95 ASN CG . 15644 1 1168 . 1 1 97 97 ASN ND2 N 15 112.722 0.039 . 1 . . . . 95 ASN ND2 . 15644 1 1169 . 1 1 98 98 ARG H H 1 8.236 0.011 . 1 . . . . 96 ARG H . 15644 1 1170 . 1 1 98 98 ARG HA H 1 4.267 0.002 . 1 . . . . 96 ARG HA . 15644 1 1171 . 1 1 98 98 ARG HB2 H 1 1.741 0.003 . 1 . . . . 96 ARG HB2 . 15644 1 1172 . 1 1 98 98 ARG HB3 H 1 1.741 0.003 . 1 . . . . 96 ARG HB3 . 15644 1 1173 . 1 1 98 98 ARG HD2 H 1 3.154 0.001 . 1 . . . . 96 ARG HD2 . 15644 1 1174 . 1 1 98 98 ARG HD3 H 1 3.154 0.001 . 1 . . . . 96 ARG HD3 . 15644 1 1175 . 1 1 98 98 ARG HG2 H 1 1.592 0.001 . 1 . . . . 96 ARG HG2 . 15644 1 1176 . 1 1 98 98 ARG HG3 H 1 1.592 0.001 . 1 . . . . 96 ARG HG3 . 15644 1 1177 . 1 1 98 98 ARG C C 13 174.171 0.000 . 1 . . . . 96 ARG C . 15644 1 1178 . 1 1 98 98 ARG CA C 13 56.756 0.017 . 1 . . . . 96 ARG CA . 15644 1 1179 . 1 1 98 98 ARG CB C 13 31.066 0.036 . 1 . . . . 96 ARG CB . 15644 1 1180 . 1 1 98 98 ARG CD C 13 43.698 0.027 . 1 . . . . 96 ARG CD . 15644 1 1181 . 1 1 98 98 ARG CG C 13 27.447 0.072 . 1 . . . . 96 ARG CG . 15644 1 1182 . 1 1 98 98 ARG N N 15 120.589 0.071 . 1 . . . . 96 ARG N . 15644 1 1183 . 1 1 99 99 LEU H H 1 8.248 0.019 . 1 . . . . 97 LEU H . 15644 1 1184 . 1 1 99 99 LEU HA H 1 4.316 0.003 . 1 . . . . 97 LEU HA . 15644 1 1185 . 1 1 99 99 LEU HB2 H 1 1.586 0.004 . 2 . . . . 97 LEU HB2 . 15644 1 1186 . 1 1 99 99 LEU HB3 H 1 1.634 0.001 . 2 . . . . 97 LEU HB3 . 15644 1 1187 . 1 1 99 99 LEU HD11 H 1 0.840 0.001 . 2 . . . . 97 LEU HD11 . 15644 1 1188 . 1 1 99 99 LEU HD12 H 1 0.840 0.001 . 2 . . . . 97 LEU HD12 . 15644 1 1189 . 1 1 99 99 LEU HD13 H 1 0.840 0.001 . 2 . . . . 97 LEU HD13 . 15644 1 1190 . 1 1 99 99 LEU HD21 H 1 0.898 0.001 . 2 . . . . 97 LEU HD21 . 15644 1 1191 . 1 1 99 99 LEU HD22 H 1 0.898 0.001 . 2 . . . . 97 LEU HD22 . 15644 1 1192 . 1 1 99 99 LEU HD23 H 1 0.898 0.001 . 2 . . . . 97 LEU HD23 . 15644 1 1193 . 1 1 99 99 LEU HG H 1 1.600 0.000 . 1 . . . . 97 LEU HG . 15644 1 1194 . 1 1 99 99 LEU C C 13 174.688 0.000 . 1 . . . . 97 LEU C . 15644 1 1195 . 1 1 99 99 LEU CA C 13 55.701 0.025 . 1 . . . . 97 LEU CA . 15644 1 1196 . 1 1 99 99 LEU CB C 13 42.691 0.016 . 1 . . . . 97 LEU CB . 15644 1 1197 . 1 1 99 99 LEU CD1 C 13 23.853 0.017 . 2 . . . . 97 LEU CD1 . 15644 1 1198 . 1 1 99 99 LEU CD2 C 13 25.357 0.007 . 2 . . . . 97 LEU CD2 . 15644 1 1199 . 1 1 99 99 LEU CG C 13 27.418 0.025 . 1 . . . . 97 LEU CG . 15644 1 1200 . 1 1 99 99 LEU N N 15 122.378 0.062 . 1 . . . . 97 LEU N . 15644 1 1201 . 1 1 100 100 ASP H H 1 8.273 0.019 . 1 . . . . 98 ASP H . 15644 1 1202 . 1 1 100 100 ASP HA H 1 4.549 0.002 . 1 . . . . 98 ASP HA . 15644 1 1203 . 1 1 100 100 ASP HB2 H 1 2.640 0.001 . 2 . . . . 98 ASP HB2 . 15644 1 1204 . 1 1 100 100 ASP HB3 H 1 2.671 0.003 . 2 . . . . 98 ASP HB3 . 15644 1 1205 . 1 1 100 100 ASP C C 13 174.051 0.000 . 1 . . . . 98 ASP C . 15644 1 1206 . 1 1 100 100 ASP CA C 13 54.752 0.019 . 1 . . . . 98 ASP CA . 15644 1 1207 . 1 1 100 100 ASP CB C 13 41.435 0.076 . 1 . . . . 98 ASP CB . 15644 1 1208 . 1 1 100 100 ASP N N 15 120.373 0.055 . 1 . . . . 98 ASP N . 15644 1 1209 . 1 1 101 101 ARG H H 1 8.136 0.002 . 1 . . . . 99 ARG H . 15644 1 1210 . 1 1 101 101 ARG HA H 1 4.223 0.011 . 1 . . . . 99 ARG HA . 15644 1 1211 . 1 1 101 101 ARG HB2 H 1 1.657 0.010 . 2 . . . . 99 ARG HB2 . 15644 1 1212 . 1 1 101 101 ARG HB3 H 1 1.729 0.003 . 2 . . . . 99 ARG HB3 . 15644 1 1213 . 1 1 101 101 ARG HD2 H 1 3.142 0.001 . 1 . . . . 99 ARG HD2 . 15644 1 1214 . 1 1 101 101 ARG HD3 H 1 3.142 0.001 . 1 . . . . 99 ARG HD3 . 15644 1 1215 . 1 1 101 101 ARG HG2 H 1 1.485 0.001 . 1 . . . . 99 ARG HG2 . 15644 1 1216 . 1 1 101 101 ARG HG3 H 1 1.485 0.001 . 1 . . . . 99 ARG HG3 . 15644 1 1217 . 1 1 101 101 ARG CA C 13 56.826 0.027 . 1 . . . . 99 ARG CA . 15644 1 1218 . 1 1 101 101 ARG CB C 13 30.835 0.029 . 1 . . . . 99 ARG CB . 15644 1 1219 . 1 1 101 101 ARG CD C 13 43.762 0.022 . 1 . . . . 99 ARG CD . 15644 1 1220 . 1 1 101 101 ARG CG C 13 27.267 0.026 . 1 . . . . 99 ARG CG . 15644 1 1221 . 1 1 101 101 ARG N N 15 120.388 0.011 . 1 . . . . 99 ARG N . 15644 1 1222 . 1 1 102 102 HIS H H 1 8.259 0.004 . 1 . . . . 100 HIS H . 15644 1 1223 . 1 1 102 102 HIS HA H 1 4.541 0.007 . 1 . . . . 100 HIS HA . 15644 1 1224 . 1 1 102 102 HIS HB2 H 1 3.004 0.002 . 2 . . . . 100 HIS HB2 . 15644 1 1225 . 1 1 102 102 HIS HB3 H 1 3.035 0.011 . 2 . . . . 100 HIS HB3 . 15644 1 1226 . 1 1 102 102 HIS HD2 H 1 6.972 0.009 . 1 . . . . 100 HIS HD2 . 15644 1 1227 . 1 1 102 102 HIS HE1 H 1 7.837 0.008 . 1 . . . . 100 HIS HE1 . 15644 1 1228 . 1 1 102 102 HIS C C 13 173.029 0.000 . 1 . . . . 100 HIS C . 15644 1 1229 . 1 1 102 102 HIS CA C 13 57.117 0.029 . 1 . . . . 100 HIS CA . 15644 1 1230 . 1 1 102 102 HIS CB C 13 31.208 0.037 . 1 . . . . 100 HIS CB . 15644 1 1231 . 1 1 102 102 HIS CD2 C 13 120.242 0.051 . 1 . . . . 100 HIS CD2 . 15644 1 1232 . 1 1 102 102 HIS CE1 C 13 138.894 0.011 . 1 . . . . 100 HIS CE1 . 15644 1 1233 . 1 1 102 102 HIS N N 15 119.844 0.002 . 1 . . . . 100 HIS N . 15644 1 1234 . 1 1 103 103 PHE H H 1 7.979 0.005 . 1 . . . . 101 PHE H . 15644 1 1235 . 1 1 103 103 PHE HA H 1 4.547 0.005 . 1 . . . . 101 PHE HA . 15644 1 1236 . 1 1 103 103 PHE HB2 H 1 3.018 0.004 . 2 . . . . 101 PHE HB2 . 15644 1 1237 . 1 1 103 103 PHE HB3 H 1 3.122 0.004 . 2 . . . . 101 PHE HB3 . 15644 1 1238 . 1 1 103 103 PHE HD1 H 1 7.231 0.003 . 1 . . . . 101 PHE HD1 . 15644 1 1239 . 1 1 103 103 PHE HD2 H 1 7.231 0.003 . 1 . . . . 101 PHE HD2 . 15644 1 1240 . 1 1 103 103 PHE HE1 H 1 7.354 0.004 . 1 . . . . 101 PHE HE1 . 15644 1 1241 . 1 1 103 103 PHE HE2 H 1 7.354 0.004 . 1 . . . . 101 PHE HE2 . 15644 1 1242 . 1 1 103 103 PHE HZ H 1 7.307 0.001 . 1 . . . . 101 PHE HZ . 15644 1 1243 . 1 1 103 103 PHE C C 13 173.189 0.000 . 1 . . . . 101 PHE C . 15644 1 1244 . 1 1 103 103 PHE CA C 13 58.218 0.029 . 1 . . . . 101 PHE CA . 15644 1 1245 . 1 1 103 103 PHE CB C 13 39.967 0.036 . 1 . . . . 101 PHE CB . 15644 1 1246 . 1 1 103 103 PHE CD1 C 13 132.156 0.057 . 1 . . . . 101 PHE CD1 . 15644 1 1247 . 1 1 103 103 PHE CD2 C 13 132.156 0.057 . 1 . . . . 101 PHE CD2 . 15644 1 1248 . 1 1 103 103 PHE CE1 C 13 132.062 0.054 . 1 . . . . 101 PHE CE1 . 15644 1 1249 . 1 1 103 103 PHE CE2 C 13 132.062 0.054 . 1 . . . . 101 PHE CE2 . 15644 1 1250 . 1 1 103 103 PHE CZ C 13 129.990 0.037 . 1 . . . . 101 PHE CZ . 15644 1 1251 . 1 1 103 103 PHE N N 15 120.594 0.030 . 1 . . . . 101 PHE N . 15644 1 1252 . 1 1 104 104 GLU H H 1 8.236 0.009 . 1 . . . . 102 GLU H . 15644 1 1253 . 1 1 104 104 GLU HA H 1 4.208 0.001 . 1 . . . . 102 GLU HA . 15644 1 1254 . 1 1 104 104 GLU HB2 H 1 1.906 0.005 . 2 . . . . 102 GLU HB2 . 15644 1 1255 . 1 1 104 104 GLU HB3 H 1 1.984 0.005 . 2 . . . . 102 GLU HB3 . 15644 1 1256 . 1 1 104 104 GLU HG2 H 1 2.190 0.007 . 2 . . . . 102 GLU HG2 . 15644 1 1257 . 1 1 104 104 GLU HG3 H 1 2.211 0.002 . 2 . . . . 102 GLU HG3 . 15644 1 1258 . 1 1 104 104 GLU C C 13 173.713 0.000 . 1 . . . . 102 GLU C . 15644 1 1259 . 1 1 104 104 GLU CA C 13 56.906 0.018 . 1 . . . . 102 GLU CA . 15644 1 1260 . 1 1 104 104 GLU CB C 13 30.925 0.016 . 1 . . . . 102 GLU CB . 15644 1 1261 . 1 1 104 104 GLU CG C 13 36.727 0.039 . 1 . . . . 102 GLU CG . 15644 1 1262 . 1 1 104 104 GLU N N 15 122.270 0.087 . 1 . . . . 102 GLU N . 15644 1 1263 . 1 1 105 105 LYS H H 1 8.262 0.018 . 1 . . . . 103 LYS H . 15644 1 1264 . 1 1 105 105 LYS HA H 1 4.276 0.009 . 1 . . . . 103 LYS HA . 15644 1 1265 . 1 1 105 105 LYS HB2 H 1 1.752 0.001 . 2 . . . . 103 LYS HB2 . 15644 1 1266 . 1 1 105 105 LYS HB3 H 1 1.848 0.001 . 2 . . . . 103 LYS HB3 . 15644 1 1267 . 1 1 105 105 LYS HD2 H 1 1.692 0.001 . 1 . . . . 103 LYS HD2 . 15644 1 1268 . 1 1 105 105 LYS HD3 H 1 1.692 0.001 . 1 . . . . 103 LYS HD3 . 15644 1 1269 . 1 1 105 105 LYS HE2 H 1 3.003 0.003 . 1 . . . . 103 LYS HE2 . 15644 1 1270 . 1 1 105 105 LYS HE3 H 1 3.003 0.003 . 1 . . . . 103 LYS HE3 . 15644 1 1271 . 1 1 105 105 LYS HG2 H 1 1.439 0.001 . 1 . . . . 103 LYS HG2 . 15644 1 1272 . 1 1 105 105 LYS HG3 H 1 1.439 0.001 . 1 . . . . 103 LYS HG3 . 15644 1 1273 . 1 1 105 105 LYS C C 13 173.997 0.000 . 1 . . . . 103 LYS C . 15644 1 1274 . 1 1 105 105 LYS CA C 13 56.849 0.031 . 1 . . . . 103 LYS CA . 15644 1 1275 . 1 1 105 105 LYS CB C 13 33.434 0.059 . 1 . . . . 103 LYS CB . 15644 1 1276 . 1 1 105 105 LYS CD C 13 29.552 0.017 . 1 . . . . 103 LYS CD . 15644 1 1277 . 1 1 105 105 LYS CE C 13 42.581 0.035 . 1 . . . . 103 LYS CE . 15644 1 1278 . 1 1 105 105 LYS CG C 13 25.164 0.032 . 1 . . . . 103 LYS CG . 15644 1 1279 . 1 1 105 105 LYS N N 15 122.478 0.064 . 1 . . . . 103 LYS N . 15644 1 1280 . 1 1 106 106 LYS H H 1 8.255 0.016 . 1 . . . . 104 LYS H . 15644 1 1281 . 1 1 106 106 LYS HA H 1 4.287 0.011 . 1 . . . . 104 LYS HA . 15644 1 1282 . 1 1 106 106 LYS HB2 H 1 1.742 0.001 . 2 . . . . 104 LYS HB2 . 15644 1 1283 . 1 1 106 106 LYS HB3 H 1 1.809 0.000 . 2 . . . . 104 LYS HB3 . 15644 1 1284 . 1 1 106 106 LYS HD2 H 1 1.692 0.002 . 1 . . . . 104 LYS HD2 . 15644 1 1285 . 1 1 106 106 LYS HD3 H 1 1.692 0.002 . 1 . . . . 104 LYS HD3 . 15644 1 1286 . 1 1 106 106 LYS HE2 H 1 2.995 0.003 . 1 . . . . 104 LYS HE2 . 15644 1 1287 . 1 1 106 106 LYS HE3 H 1 2.995 0.003 . 1 . . . . 104 LYS HE3 . 15644 1 1288 . 1 1 106 106 LYS HG2 H 1 1.438 0.001 . 1 . . . . 104 LYS HG2 . 15644 1 1289 . 1 1 106 106 LYS HG3 H 1 1.438 0.001 . 1 . . . . 104 LYS HG3 . 15644 1 1290 . 1 1 106 106 LYS C C 13 174.083 0.000 . 1 . . . . 104 LYS C . 15644 1 1291 . 1 1 106 106 LYS CA C 13 56.696 0.026 . 1 . . . . 104 LYS CA . 15644 1 1292 . 1 1 106 106 LYS CB C 13 33.500 0.019 . 1 . . . . 104 LYS CB . 15644 1 1293 . 1 1 106 106 LYS CD C 13 29.539 0.026 . 1 . . . . 104 LYS CD . 15644 1 1294 . 1 1 106 106 LYS CE C 13 42.548 0.010 . 1 . . . . 104 LYS CE . 15644 1 1295 . 1 1 106 106 LYS CG C 13 25.148 0.037 . 1 . . . . 104 LYS CG . 15644 1 1296 . 1 1 106 106 LYS N N 15 122.223 0.098 . 1 . . . . 104 LYS N . 15644 1 1297 . 1 1 107 107 LYS H H 1 8.317 0.003 . 1 . . . . 105 LYS H . 15644 1 1298 . 1 1 107 107 LYS HA H 1 4.288 0.001 . 1 . . . . 105 LYS HA . 15644 1 1299 . 1 1 107 107 LYS HB2 H 1 1.760 0.008 . 2 . . . . 105 LYS HB2 . 15644 1 1300 . 1 1 107 107 LYS HB3 H 1 1.797 0.001 . 2 . . . . 105 LYS HB3 . 15644 1 1301 . 1 1 107 107 LYS HD2 H 1 1.692 0.002 . 1 . . . . 105 LYS HD2 . 15644 1 1302 . 1 1 107 107 LYS HD3 H 1 1.692 0.002 . 1 . . . . 105 LYS HD3 . 15644 1 1303 . 1 1 107 107 LYS HE2 H 1 2.999 0.002 . 1 . . . . 105 LYS HE2 . 15644 1 1304 . 1 1 107 107 LYS HE3 H 1 2.999 0.002 . 1 . . . . 105 LYS HE3 . 15644 1 1305 . 1 1 107 107 LYS HG2 H 1 1.438 0.001 . 1 . . . . 105 LYS HG2 . 15644 1 1306 . 1 1 107 107 LYS HG3 H 1 1.438 0.001 . 1 . . . . 105 LYS HG3 . 15644 1 1307 . 1 1 107 107 LYS C C 13 173.900 0.000 . 1 . . . . 105 LYS C . 15644 1 1308 . 1 1 107 107 LYS CA C 13 56.715 0.019 . 1 . . . . 105 LYS CA . 15644 1 1309 . 1 1 107 107 LYS CB C 13 33.600 0.053 . 1 . . . . 105 LYS CB . 15644 1 1310 . 1 1 107 107 LYS CD C 13 29.580 0.031 . 1 . . . . 105 LYS CD . 15644 1 1311 . 1 1 107 107 LYS CE C 13 42.569 0.041 . 1 . . . . 105 LYS CE . 15644 1 1312 . 1 1 107 107 LYS CG C 13 25.151 0.040 . 1 . . . . 105 LYS CG . 15644 1 1313 . 1 1 107 107 LYS N N 15 123.128 0.004 . 1 . . . . 105 LYS N . 15644 1 1314 . 1 1 108 108 LYS H H 1 8.398 0.003 . 1 . . . . 106 LYS H . 15644 1 1315 . 1 1 108 108 LYS HA H 1 4.350 0.001 . 1 . . . . 106 LYS HA . 15644 1 1316 . 1 1 108 108 LYS HB2 H 1 1.750 0.002 . 2 . . . . 106 LYS HB2 . 15644 1 1317 . 1 1 108 108 LYS HB3 H 1 1.848 0.011 . 2 . . . . 106 LYS HB3 . 15644 1 1318 . 1 1 108 108 LYS HD2 H 1 1.692 0.001 . 1 . . . . 106 LYS HD2 . 15644 1 1319 . 1 1 108 108 LYS HD3 H 1 1.692 0.001 . 1 . . . . 106 LYS HD3 . 15644 1 1320 . 1 1 108 108 LYS HE2 H 1 3.006 0.003 . 1 . . . . 106 LYS HE2 . 15644 1 1321 . 1 1 108 108 LYS HE3 H 1 3.006 0.003 . 1 . . . . 106 LYS HE3 . 15644 1 1322 . 1 1 108 108 LYS HG2 H 1 1.438 0.001 . 1 . . . . 106 LYS HG2 . 15644 1 1323 . 1 1 108 108 LYS HG3 H 1 1.438 0.001 . 1 . . . . 106 LYS HG3 . 15644 1 1324 . 1 1 108 108 LYS C C 13 173.242 0.000 . 1 . . . . 106 LYS C . 15644 1 1325 . 1 1 108 108 LYS CA C 13 56.950 0.027 . 1 . . . . 106 LYS CA . 15644 1 1326 . 1 1 108 108 LYS CB C 13 33.479 0.028 . 1 . . . . 106 LYS CB . 15644 1 1327 . 1 1 108 108 LYS CD C 13 29.559 0.022 . 1 . . . . 106 LYS CD . 15644 1 1328 . 1 1 108 108 LYS CE C 13 42.638 0.049 . 1 . . . . 106 LYS CE . 15644 1 1329 . 1 1 108 108 LYS CG C 13 25.114 0.043 . 1 . . . . 106 LYS CG . 15644 1 1330 . 1 1 108 108 LYS N N 15 124.156 0.006 . 1 . . . . 106 LYS N . 15644 1 1331 . 1 1 109 109 VAL H H 1 7.760 0.009 . 1 . . . . 107 VAL H . 15644 1 1332 . 1 1 109 109 VAL HA H 1 4.043 0.001 . 1 . . . . 107 VAL HA . 15644 1 1333 . 1 1 109 109 VAL HB H 1 2.082 0.001 . 1 . . . . 107 VAL HB . 15644 1 1334 . 1 1 109 109 VAL HG11 H 1 0.889 0.003 . 2 . . . . 107 VAL HG11 . 15644 1 1335 . 1 1 109 109 VAL HG12 H 1 0.889 0.003 . 2 . . . . 107 VAL HG12 . 15644 1 1336 . 1 1 109 109 VAL HG13 H 1 0.889 0.003 . 2 . . . . 107 VAL HG13 . 15644 1 1337 . 1 1 109 109 VAL HG21 H 1 0.908 0.002 . 2 . . . . 107 VAL HG21 . 15644 1 1338 . 1 1 109 109 VAL HG22 H 1 0.908 0.002 . 2 . . . . 107 VAL HG22 . 15644 1 1339 . 1 1 109 109 VAL HG23 H 1 0.908 0.002 . 2 . . . . 107 VAL HG23 . 15644 1 1340 . 1 1 109 109 VAL CA C 13 64.007 0.040 . 1 . . . . 107 VAL CA . 15644 1 1341 . 1 1 109 109 VAL CB C 13 33.661 0.045 . 1 . . . . 107 VAL CB . 15644 1 1342 . 1 1 109 109 VAL CG1 C 13 20.611 0.031 . 2 . . . . 107 VAL CG1 . 15644 1 1343 . 1 1 109 109 VAL CG2 C 13 22.061 0.011 . 2 . . . . 107 VAL CG2 . 15644 1 1344 . 1 1 109 109 VAL N N 15 125.895 0.014 . 1 . . . . 107 VAL N . 15644 1 stop_ save_