data_25085 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25085 _Entry.Title ; Solution structure of the rhodanese domain of YgaP from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-12 _Entry.Accession_date 2014-07-12 _Entry.Last_release_date 2014-09-19 _Entry.Original_release_date 2014-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Wei Wang . . . 25085 2 Peng Zhou . . . 25085 3 Changlin Tian . . . 25085 4 Fangming Wu . . . 25085 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25085 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'rhodanese domain' . 25085 YgaP . 25085 'E. coli' . 25085 'Integral Membrane Protein' . 25085 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25085 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 724 25085 '13C chemical shifts' 415 25085 '15N chemical shifts' 102 25085 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-09-19 2014-07-12 original author . 25085 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRM 'BMRB Entry Tracking System' 25085 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25085 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrc.2014.09.002 _Citation.PubMed_ID 25204500 _Citation.Full_citation . _Citation.Title 'Fast conformational exchange between the sulfur-free and persulfide-bound rhodanese domain of E. coli YgaP.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Wei Wang W. . . 25085 1 2 Peng Zhou P. . . 25085 1 3 Yao He Y. . . 25085 1 4 Lu Yu L. . . 25085 1 5 Ying Xiong Y. . . 25085 1 6 Changlin Tian C. . . 25085 1 7 Fangming Wu F. . . 25085 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25085 _Assembly.ID 1 _Assembly.Name 'rhodanese domain of YgaP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'rhodanese domain of YgaP' 1 $YgaP A . yes native no no . . . 25085 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YgaP _Entity.Sf_category entity _Entity.Sf_framecode YgaP _Entity.Entry_ID 25085 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YgaP _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 ; MHHHHHHMALTTISPHDAQE LIARGAKLIDIRDADEYLRE HIPEADLAPLSVLEQSGLPA KLRHEQIIFHCQAGKRTSNN ADKLAAIAAPAEIFLLEDGI DGWKRAGLPVAVNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11660.426 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17137 . YgaP . . . . . 93.86 107 100.00 100.00 1.73e-69 . . . . 25085 1 2 no BMRB 19943 . YgaP . . . . . 92.98 108 99.06 100.00 3.43e-68 . . . . 25085 1 3 no BMRB 19946 . YgaP . . . . . 92.98 108 99.06 100.00 3.43e-68 . . . . 25085 1 4 no PDB 2MOI . "3d Nmr Structure Of The Cytoplasmic Rhodanese Domain Of The Inner Membrane Protein Ygap From Escherichia Coli" . . . . . 92.98 108 99.06 100.00 3.43e-68 . . . . 25085 1 5 no PDB 2MOL . "3d Nmr Structure Of The Cytoplasmic Rhodanese Domain Of The Full- Length Inner Membrane Protein Ygap From Escherichia Coli" . . . . . 92.98 108 99.06 100.00 3.43e-68 . . . . 25085 1 6 no PDB 2MRM . "Solution Structure Of The Rhodanese Domain Of Ygap From E. Coli" . . . . . 100.00 114 100.00 100.00 2.49e-75 . . . . 25085 1 7 no DBJ BAB36952 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.86 172 97.20 99.07 2.81e-67 . . . . 25085 1 8 no DBJ BAE76780 . "predicted inner membrane protein with hydrolase activity [Escherichia coli str. K12 substr. W3110]" . . . . . 93.86 174 99.07 100.00 1.01e-68 . . . . 25085 1 9 no DBJ BAG78445 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.86 174 98.13 98.13 1.74e-67 . . . . 25085 1 10 no DBJ BAI26930 . "predicted inner membrane protein [Escherichia coli O26:H11 str. 11368]" . . . . . 93.86 174 98.13 98.13 1.54e-67 . . . . 25085 1 11 no DBJ BAI31960 . "predicted inner membrane protein [Escherichia coli O103:H2 str. 12009]" . . . . . 93.86 174 98.13 98.13 1.54e-67 . . . . 25085 1 12 no EMBL CAQ33005 . "predicted inner membrane protein with hydrolase activity [Escherichia coli BL21(DE3)]" . . . . . 93.86 174 100.00 100.00 3.30e-69 . . . . 25085 1 13 no EMBL CAQ87965 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia fergusonii ATCC 35469]" . . . . . 93.86 174 98.13 99.07 9.86e-68 . . . . 25085 1 14 no EMBL CAQ99590 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli IAI1]" . . . . . 93.86 174 98.13 98.13 1.81e-67 . . . . 25085 1 15 no EMBL CAR04179 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli S88]" . . . . . 93.86 174 98.13 99.07 7.67e-68 . . . . 25085 1 16 no EMBL CAR09287 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli ED1a]" . . . . . 93.86 174 97.20 98.13 5.56e-67 . . . . 25085 1 17 no GB AAC75715 . "DUF2892 family inner membrane rhodanese [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.86 174 99.07 100.00 1.01e-68 . . . . 25085 1 18 no GB AAG57776 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.86 172 97.20 99.07 2.81e-67 . . . . 25085 1 19 no GB AAN44189 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.86 174 98.13 98.13 1.72e-67 . . . . 25085 1 20 no GB AAN81669 . "Hypothetical protein ygaP [Escherichia coli CFT073]" . . . . . 93.86 174 97.20 98.13 5.56e-67 . . . . 25085 1 21 no GB AAP18017 . "hypothetical protein S2882 [Shigella flexneri 2a str. 2457T]" . . . . . 93.86 174 98.13 98.13 1.72e-67 . . . . 25085 1 22 no REF NP_311556 . "hypothetical protein ECs3529 [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.86 172 97.20 99.07 2.81e-67 . . . . 25085 1 23 no REF NP_417154 . "DUF2892 family inner membrane rhodanese [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.86 174 99.07 100.00 1.01e-68 . . . . 25085 1 24 no REF NP_708482 . "hypothetical protein SF2696 [Shigella flexneri 2a str. 301]" . . . . . 93.86 174 98.13 98.13 1.72e-67 . . . . 25085 1 25 no REF WP_001229433 . "membrane protein [Escherichia coli]" . . . . . 93.86 174 97.20 98.13 1.62e-66 . . . . 25085 1 26 no REF WP_001229437 . "membrane protein [Escherichia coli]" . . . . . 93.86 174 98.13 99.07 1.57e-67 . . . . 25085 1 27 no SP P55734 . "RecName: Full=Inner membrane protein YgaP" . . . . . 93.86 174 99.07 100.00 1.01e-68 . . . . 25085 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 -6 MET . 25085 1 2 -5 HIS . 25085 1 3 -4 HIS . 25085 1 4 -3 HIS . 25085 1 5 -2 HIS . 25085 1 6 -1 HIS . 25085 1 7 0 HIS . 25085 1 8 1 MET . 25085 1 9 2 ALA . 25085 1 10 3 LEU . 25085 1 11 4 THR . 25085 1 12 5 THR . 25085 1 13 6 ILE . 25085 1 14 7 SER . 25085 1 15 8 PRO . 25085 1 16 9 HIS . 25085 1 17 10 ASP . 25085 1 18 11 ALA . 25085 1 19 12 GLN . 25085 1 20 13 GLU . 25085 1 21 14 LEU . 25085 1 22 15 ILE . 25085 1 23 16 ALA . 25085 1 24 17 ARG . 25085 1 25 18 GLY . 25085 1 26 19 ALA . 25085 1 27 20 LYS . 25085 1 28 21 LEU . 25085 1 29 22 ILE . 25085 1 30 23 ASP . 25085 1 31 24 ILE . 25085 1 32 25 ARG . 25085 1 33 26 ASP . 25085 1 34 27 ALA . 25085 1 35 28 ASP . 25085 1 36 29 GLU . 25085 1 37 30 TYR . 25085 1 38 31 LEU . 25085 1 39 32 ARG . 25085 1 40 33 GLU . 25085 1 41 34 HIS . 25085 1 42 35 ILE . 25085 1 43 36 PRO . 25085 1 44 37 GLU . 25085 1 45 38 ALA . 25085 1 46 39 ASP . 25085 1 47 40 LEU . 25085 1 48 41 ALA . 25085 1 49 42 PRO . 25085 1 50 43 LEU . 25085 1 51 44 SER . 25085 1 52 45 VAL . 25085 1 53 46 LEU . 25085 1 54 47 GLU . 25085 1 55 48 GLN . 25085 1 56 49 SER . 25085 1 57 50 GLY . 25085 1 58 51 LEU . 25085 1 59 52 PRO . 25085 1 60 53 ALA . 25085 1 61 54 LYS . 25085 1 62 55 LEU . 25085 1 63 56 ARG . 25085 1 64 57 HIS . 25085 1 65 58 GLU . 25085 1 66 59 GLN . 25085 1 67 60 ILE . 25085 1 68 61 ILE . 25085 1 69 62 PHE . 25085 1 70 63 HIS . 25085 1 71 64 CYS . 25085 1 72 65 GLN . 25085 1 73 66 ALA . 25085 1 74 67 GLY . 25085 1 75 68 LYS . 25085 1 76 69 ARG . 25085 1 77 70 THR . 25085 1 78 71 SER . 25085 1 79 72 ASN . 25085 1 80 73 ASN . 25085 1 81 74 ALA . 25085 1 82 75 ASP . 25085 1 83 76 LYS . 25085 1 84 77 LEU . 25085 1 85 78 ALA . 25085 1 86 79 ALA . 25085 1 87 80 ILE . 25085 1 88 81 ALA . 25085 1 89 82 ALA . 25085 1 90 83 PRO . 25085 1 91 84 ALA . 25085 1 92 85 GLU . 25085 1 93 86 ILE . 25085 1 94 87 PHE . 25085 1 95 88 LEU . 25085 1 96 89 LEU . 25085 1 97 90 GLU . 25085 1 98 91 ASP . 25085 1 99 92 GLY . 25085 1 100 93 ILE . 25085 1 101 94 ASP . 25085 1 102 95 GLY . 25085 1 103 96 TRP . 25085 1 104 97 LYS . 25085 1 105 98 ARG . 25085 1 106 99 ALA . 25085 1 107 100 GLY . 25085 1 108 101 LEU . 25085 1 109 102 PRO . 25085 1 110 103 VAL . 25085 1 111 104 ALA . 25085 1 112 105 VAL . 25085 1 113 106 ASN . 25085 1 114 107 LYS . 25085 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25085 1 . HIS 2 2 25085 1 . HIS 3 3 25085 1 . HIS 4 4 25085 1 . HIS 5 5 25085 1 . HIS 6 6 25085 1 . HIS 7 7 25085 1 . MET 8 8 25085 1 . ALA 9 9 25085 1 . LEU 10 10 25085 1 . THR 11 11 25085 1 . THR 12 12 25085 1 . ILE 13 13 25085 1 . SER 14 14 25085 1 . PRO 15 15 25085 1 . HIS 16 16 25085 1 . ASP 17 17 25085 1 . ALA 18 18 25085 1 . GLN 19 19 25085 1 . GLU 20 20 25085 1 . LEU 21 21 25085 1 . ILE 22 22 25085 1 . ALA 23 23 25085 1 . ARG 24 24 25085 1 . GLY 25 25 25085 1 . ALA 26 26 25085 1 . LYS 27 27 25085 1 . LEU 28 28 25085 1 . ILE 29 29 25085 1 . ASP 30 30 25085 1 . ILE 31 31 25085 1 . ARG 32 32 25085 1 . ASP 33 33 25085 1 . ALA 34 34 25085 1 . ASP 35 35 25085 1 . GLU 36 36 25085 1 . TYR 37 37 25085 1 . LEU 38 38 25085 1 . ARG 39 39 25085 1 . GLU 40 40 25085 1 . HIS 41 41 25085 1 . ILE 42 42 25085 1 . PRO 43 43 25085 1 . GLU 44 44 25085 1 . ALA 45 45 25085 1 . ASP 46 46 25085 1 . LEU 47 47 25085 1 . ALA 48 48 25085 1 . PRO 49 49 25085 1 . LEU 50 50 25085 1 . SER 51 51 25085 1 . VAL 52 52 25085 1 . LEU 53 53 25085 1 . GLU 54 54 25085 1 . GLN 55 55 25085 1 . SER 56 56 25085 1 . GLY 57 57 25085 1 . LEU 58 58 25085 1 . PRO 59 59 25085 1 . ALA 60 60 25085 1 . LYS 61 61 25085 1 . LEU 62 62 25085 1 . ARG 63 63 25085 1 . HIS 64 64 25085 1 . GLU 65 65 25085 1 . GLN 66 66 25085 1 . ILE 67 67 25085 1 . ILE 68 68 25085 1 . PHE 69 69 25085 1 . HIS 70 70 25085 1 . CYS 71 71 25085 1 . GLN 72 72 25085 1 . ALA 73 73 25085 1 . GLY 74 74 25085 1 . LYS 75 75 25085 1 . ARG 76 76 25085 1 . THR 77 77 25085 1 . SER 78 78 25085 1 . ASN 79 79 25085 1 . ASN 80 80 25085 1 . ALA 81 81 25085 1 . ASP 82 82 25085 1 . LYS 83 83 25085 1 . LEU 84 84 25085 1 . ALA 85 85 25085 1 . ALA 86 86 25085 1 . ILE 87 87 25085 1 . ALA 88 88 25085 1 . ALA 89 89 25085 1 . PRO 90 90 25085 1 . ALA 91 91 25085 1 . GLU 92 92 25085 1 . ILE 93 93 25085 1 . PHE 94 94 25085 1 . LEU 95 95 25085 1 . LEU 96 96 25085 1 . GLU 97 97 25085 1 . ASP 98 98 25085 1 . GLY 99 99 25085 1 . ILE 100 100 25085 1 . ASP 101 101 25085 1 . GLY 102 102 25085 1 . TRP 103 103 25085 1 . LYS 104 104 25085 1 . ARG 105 105 25085 1 . ALA 106 106 25085 1 . GLY 107 107 25085 1 . LEU 108 108 25085 1 . PRO 109 109 25085 1 . VAL 110 110 25085 1 . ALA 111 111 25085 1 . VAL 112 112 25085 1 . ASN 113 113 25085 1 . LYS 114 114 25085 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25085 _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 $YgaP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25085 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 25085 _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 $YgaP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Gold(DE3) . . . . . . . . . . . . . . . p28 . . . . . . 25085 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25085 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YgaP '[U-100% 13C; U-100% 15N]' . . 1 $YgaP . . 0.5 . . mM . . . . 25085 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25085 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25085 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25085 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25085 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25085 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 YgaP '[U-100% 13C; U-100% 15N]' . . 1 $YgaP . . 0.5 . . mM . . . . 25085 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25085 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25085 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25085 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 25085 _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 temperature 298 . K 25085 1 pH 7.0 . pH 25085 1 pressure 1 . atm 25085 1 'ionic strength' 0.05 . M 25085 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25085 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25085 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25085 1 processing 25085 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25085 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25085 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25085 2 'chemical shift assignment' 25085 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25085 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25085 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25085 3 refinement 25085 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25085 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25085 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . 25085 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 25085 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25085 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 25085 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25085 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25085 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25085 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 25085 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25085 1 2 '3D CBCA(CO)NH' . . . 25085 1 3 '3D HNCACB' . . . 25085 1 4 '3D HNCO' . . . 25085 1 5 '3D HBHA(CO)NH' . . . 25085 1 6 '3D H(CCO)NH' . . . 25085 1 7 '3D C(CO)NH' . . . 25085 1 8 '3D 1H-15N NOESY' . . . 25085 1 9 '3D HCCH-TOCSY' . . . 25085 1 10 '3D HCCH-COSY' . . . 25085 1 11 '3D 1H-13C NOESY' . . . 25085 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 8 8 MET H H 1 8.410 0.024 . 1 . . . A 1 MET H . 25085 1 2 . 1 1 8 8 MET HA H 1 4.400 0.006 . 1 . . . A 1 MET HA . 25085 1 3 . 1 1 8 8 MET HB2 H 1 2.007 0.012 . 1 . . . A 1 MET HB2 . 25085 1 4 . 1 1 8 8 MET HB3 H 1 1.917 0.011 . 1 . . . A 1 MET HB3 . 25085 1 5 . 1 1 8 8 MET HG2 H 1 2.455 0.008 . 1 . . . A 1 MET HG2 . 25085 1 6 . 1 1 8 8 MET HG3 H 1 2.366 0.010 . 1 . . . A 1 MET HG3 . 25085 1 7 . 1 1 8 8 MET C C 13 175.415 0.050 . 1 . . . A 1 MET C . 25085 1 8 . 1 1 8 8 MET CA C 13 55.295 0.020 . 1 . . . A 1 MET CA . 25085 1 9 . 1 1 8 8 MET CB C 13 32.987 0.044 . 1 . . . A 1 MET CB . 25085 1 10 . 1 1 8 8 MET CG C 13 31.956 0.050 . 1 . . . A 1 MET CG . 25085 1 11 . 1 1 8 8 MET N N 15 122.075 0.040 . 1 . . . A 1 MET N . 25085 1 12 . 1 1 9 9 ALA H H 1 8.344 0.007 . 1 . . . A 2 ALA H . 25085 1 13 . 1 1 9 9 ALA HA H 1 4.287 0.002 . 1 . . . A 2 ALA HA . 25085 1 14 . 1 1 9 9 ALA HB1 H 1 1.330 0.004 . 1 . . . A 2 ALA HB1 . 25085 1 15 . 1 1 9 9 ALA HB2 H 1 1.330 0.004 . 1 . . . A 2 ALA HB2 . 25085 1 16 . 1 1 9 9 ALA HB3 H 1 1.330 0.004 . 1 . . . A 2 ALA HB3 . 25085 1 17 . 1 1 9 9 ALA C C 13 176.800 0.050 . 1 . . . A 2 ALA C . 25085 1 18 . 1 1 9 9 ALA CA C 13 52.429 0.036 . 1 . . . A 2 ALA CA . 25085 1 19 . 1 1 9 9 ALA CB C 13 19.407 0.037 . 1 . . . A 2 ALA CB . 25085 1 20 . 1 1 9 9 ALA N N 15 125.104 0.046 . 1 . . . A 2 ALA N . 25085 1 21 . 1 1 10 10 LEU H H 1 8.070 0.008 . 1 . . . A 3 LEU H . 25085 1 22 . 1 1 10 10 LEU HA H 1 4.452 0.008 . 1 . . . A 3 LEU HA . 25085 1 23 . 1 1 10 10 LEU HB2 H 1 1.556 0.010 . 1 . . . A 3 LEU HB2 . 25085 1 24 . 1 1 10 10 LEU HB3 H 1 1.450 0.007 . 1 . . . A 3 LEU HB3 . 25085 1 25 . 1 1 10 10 LEU HG H 1 1.575 0.011 . 1 . . . A 3 LEU HG . 25085 1 26 . 1 1 10 10 LEU HD11 H 1 0.790 0.007 . 1 . . . A 3 LEU HD11 . 25085 1 27 . 1 1 10 10 LEU HD12 H 1 0.790 0.007 . 1 . . . A 3 LEU HD12 . 25085 1 28 . 1 1 10 10 LEU HD13 H 1 0.790 0.007 . 1 . . . A 3 LEU HD13 . 25085 1 29 . 1 1 10 10 LEU HD21 H 1 0.807 0.007 . 1 . . . A 3 LEU HD21 . 25085 1 30 . 1 1 10 10 LEU HD22 H 1 0.807 0.007 . 1 . . . A 3 LEU HD22 . 25085 1 31 . 1 1 10 10 LEU HD23 H 1 0.807 0.007 . 1 . . . A 3 LEU HD23 . 25085 1 32 . 1 1 10 10 LEU C C 13 176.497 0.050 . 1 . . . A 3 LEU C . 25085 1 33 . 1 1 10 10 LEU CA C 13 54.698 0.041 . 1 . . . A 3 LEU CA . 25085 1 34 . 1 1 10 10 LEU CB C 13 43.203 0.080 . 1 . . . A 3 LEU CB . 25085 1 35 . 1 1 10 10 LEU CG C 13 27.179 0.050 . 1 . . . A 3 LEU CG . 25085 1 36 . 1 1 10 10 LEU CD1 C 13 25.809 0.050 . 1 . . . A 3 LEU CD1 . 25085 1 37 . 1 1 10 10 LEU CD2 C 13 24.780 0.050 . 1 . . . A 3 LEU CD2 . 25085 1 38 . 1 1 10 10 LEU N N 15 120.515 0.041 . 1 . . . A 3 LEU N . 25085 1 39 . 1 1 11 11 THR H H 1 7.954 0.005 . 1 . . . A 4 THR H . 25085 1 40 . 1 1 11 11 THR HA H 1 4.480 0.006 . 1 . . . A 4 THR HA . 25085 1 41 . 1 1 11 11 THR HB H 1 4.093 0.011 . 1 . . . A 4 THR HB . 25085 1 42 . 1 1 11 11 THR HG21 H 1 1.309 0.007 . 1 . . . A 4 THR HG21 . 25085 1 43 . 1 1 11 11 THR HG22 H 1 1.309 0.007 . 1 . . . A 4 THR HG22 . 25085 1 44 . 1 1 11 11 THR HG23 H 1 1.309 0.007 . 1 . . . A 4 THR HG23 . 25085 1 45 . 1 1 11 11 THR C C 13 173.872 0.050 . 1 . . . A 4 THR C . 25085 1 46 . 1 1 11 11 THR CA C 13 62.247 0.054 . 1 . . . A 4 THR CA . 25085 1 47 . 1 1 11 11 THR CB C 13 70.533 0.030 . 1 . . . A 4 THR CB . 25085 1 48 . 1 1 11 11 THR N N 15 117.803 0.022 . 1 . . . A 4 THR N . 25085 1 49 . 1 1 12 12 THR H H 1 8.640 0.007 . 1 . . . A 5 THR H . 25085 1 50 . 1 1 12 12 THR HA H 1 5.289 0.006 . 1 . . . A 5 THR HA . 25085 1 51 . 1 1 12 12 THR HB H 1 4.135 0.004 . 1 . . . A 5 THR HB . 25085 1 52 . 1 1 12 12 THR HG21 H 1 1.218 0.006 . 1 . . . A 5 THR HG21 . 25085 1 53 . 1 1 12 12 THR HG22 H 1 1.218 0.006 . 1 . . . A 5 THR HG22 . 25085 1 54 . 1 1 12 12 THR HG23 H 1 1.218 0.006 . 1 . . . A 5 THR HG23 . 25085 1 55 . 1 1 12 12 THR C C 13 174.162 0.050 . 1 . . . A 5 THR C . 25085 1 56 . 1 1 12 12 THR CA C 13 62.102 0.071 . 1 . . . A 5 THR CA . 25085 1 57 . 1 1 12 12 THR CB C 13 69.457 0.098 . 1 . . . A 5 THR CB . 25085 1 58 . 1 1 12 12 THR N N 15 121.501 0.021 . 1 . . . A 5 THR N . 25085 1 59 . 1 1 13 13 ILE H H 1 8.977 0.007 . 1 . . . A 6 ILE H . 25085 1 60 . 1 1 13 13 ILE HA H 1 4.988 0.005 . 1 . . . A 6 ILE HA . 25085 1 61 . 1 1 13 13 ILE HB H 1 1.820 0.008 . 1 . . . A 6 ILE HB . 25085 1 62 . 1 1 13 13 ILE HG12 H 1 1.599 0.006 . 1 . . . A 6 ILE HG12 . 25085 1 63 . 1 1 13 13 ILE HG13 H 1 1.170 0.007 . 1 . . . A 6 ILE HG13 . 25085 1 64 . 1 1 13 13 ILE HG21 H 1 0.873 0.007 . 1 . . . A 6 ILE HG21 . 25085 1 65 . 1 1 13 13 ILE HG22 H 1 0.873 0.007 . 1 . . . A 6 ILE HG22 . 25085 1 66 . 1 1 13 13 ILE HG23 H 1 0.873 0.007 . 1 . . . A 6 ILE HG23 . 25085 1 67 . 1 1 13 13 ILE HD11 H 1 0.351 0.003 . 1 . . . A 6 ILE HD11 . 25085 1 68 . 1 1 13 13 ILE HD12 H 1 0.351 0.003 . 1 . . . A 6 ILE HD12 . 25085 1 69 . 1 1 13 13 ILE HD13 H 1 0.351 0.003 . 1 . . . A 6 ILE HD13 . 25085 1 70 . 1 1 13 13 ILE C C 13 173.377 0.050 . 1 . . . A 6 ILE C . 25085 1 71 . 1 1 13 13 ILE CA C 13 58.611 0.051 . 1 . . . A 6 ILE CA . 25085 1 72 . 1 1 13 13 ILE CB C 13 42.821 0.088 . 1 . . . A 6 ILE CB . 25085 1 73 . 1 1 13 13 ILE CG1 C 13 27.407 0.050 . 1 . . . A 6 ILE CG1 . 25085 1 74 . 1 1 13 13 ILE CG2 C 13 17.848 0.050 . 1 . . . A 6 ILE CG2 . 25085 1 75 . 1 1 13 13 ILE CD1 C 13 14.664 0.050 . 1 . . . A 6 ILE CD1 . 25085 1 76 . 1 1 13 13 ILE N N 15 122.023 0.059 . 1 . . . A 6 ILE N . 25085 1 77 . 1 1 14 14 SER H H 1 9.242 0.006 . 1 . . . A 7 SER H . 25085 1 78 . 1 1 14 14 SER HA H 1 4.768 0.003 . 1 . . . A 7 SER HA . 25085 1 79 . 1 1 14 14 SER HB2 H 1 4.324 0.005 . 1 . . . A 7 SER HB2 . 25085 1 80 . 1 1 14 14 SER HB3 H 1 4.063 0.011 . 1 . . . A 7 SER HB3 . 25085 1 81 . 1 1 14 14 SER CA C 13 56.790 0.050 . 1 . . . A 7 SER CA . 25085 1 82 . 1 1 14 14 SER CB C 13 63.235 0.050 . 1 . . . A 7 SER CB . 25085 1 83 . 1 1 14 14 SER N N 15 122.659 0.026 . 1 . . . A 7 SER N . 25085 1 84 . 1 1 15 15 PRO HA H 1 4.207 0.005 . 1 . . . A 8 PRO HA . 25085 1 85 . 1 1 15 15 PRO HB2 H 1 2.095 0.008 . 1 . . . A 8 PRO HB2 . 25085 1 86 . 1 1 15 15 PRO HB3 H 1 1.499 0.009 . 1 . . . A 8 PRO HB3 . 25085 1 87 . 1 1 15 15 PRO HG2 H 1 2.032 0.009 . 1 . . . A 8 PRO HG2 . 25085 1 88 . 1 1 15 15 PRO HG3 H 1 1.918 0.012 . 1 . . . A 8 PRO HG3 . 25085 1 89 . 1 1 15 15 PRO HD2 H 1 3.926 0.005 . 1 . . . A 8 PRO HD2 . 25085 1 90 . 1 1 15 15 PRO HD3 H 1 3.969 0.004 . 1 . . . A 8 PRO HD3 . 25085 1 91 . 1 1 15 15 PRO C C 13 176.787 0.050 . 1 . . . A 8 PRO C . 25085 1 92 . 1 1 15 15 PRO CA C 13 66.443 0.048 . 1 . . . A 8 PRO CA . 25085 1 93 . 1 1 15 15 PRO CB C 13 32.724 0.057 . 1 . . . A 8 PRO CB . 25085 1 94 . 1 1 15 15 PRO CG C 13 27.235 0.050 . 1 . . . A 8 PRO CG . 25085 1 95 . 1 1 16 16 HIS H H 1 8.172 0.027 . 1 . . . A 9 HIS H . 25085 1 96 . 1 1 16 16 HIS HA H 1 3.990 0.010 . 1 . . . A 9 HIS HA . 25085 1 97 . 1 1 16 16 HIS HB2 H 1 3.044 0.002 . 1 . . . A 9 HIS HB2 . 25085 1 98 . 1 1 16 16 HIS HB3 H 1 2.886 0.002 . 1 . . . A 9 HIS HB3 . 25085 1 99 . 1 1 16 16 HIS C C 13 178.123 0.050 . 1 . . . A 9 HIS C . 25085 1 100 . 1 1 16 16 HIS CA C 13 60.827 0.088 . 1 . . . A 9 HIS CA . 25085 1 101 . 1 1 16 16 HIS CB C 13 29.552 0.124 . 1 . . . A 9 HIS CB . 25085 1 102 . 1 1 16 16 HIS N N 15 113.700 0.043 . 1 . . . A 9 HIS N . 25085 1 103 . 1 1 17 17 ASP H H 1 7.706 0.010 . 1 . . . A 10 ASP H . 25085 1 104 . 1 1 17 17 ASP HA H 1 4.369 0.019 . 1 . . . A 10 ASP HA . 25085 1 105 . 1 1 17 17 ASP HB2 H 1 2.854 0.008 . 1 . . . A 10 ASP HB2 . 25085 1 106 . 1 1 17 17 ASP HB3 H 1 2.486 0.003 . 1 . . . A 10 ASP HB3 . 25085 1 107 . 1 1 17 17 ASP C C 13 179.100 0.050 . 1 . . . A 10 ASP C . 25085 1 108 . 1 1 17 17 ASP CA C 13 57.071 0.021 . 1 . . . A 10 ASP CA . 25085 1 109 . 1 1 17 17 ASP CB C 13 39.529 0.079 . 1 . . . A 10 ASP CB . 25085 1 110 . 1 1 17 17 ASP N N 15 120.665 0.050 . 1 . . . A 10 ASP N . 25085 1 111 . 1 1 18 18 ALA H H 1 8.896 0.007 . 1 . . . A 11 ALA H . 25085 1 112 . 1 1 18 18 ALA HA H 1 3.782 0.004 . 1 . . . A 11 ALA HA . 25085 1 113 . 1 1 18 18 ALA HB1 H 1 1.513 0.006 . 1 . . . A 11 ALA HB1 . 25085 1 114 . 1 1 18 18 ALA HB2 H 1 1.513 0.006 . 1 . . . A 11 ALA HB2 . 25085 1 115 . 1 1 18 18 ALA HB3 H 1 1.513 0.006 . 1 . . . A 11 ALA HB3 . 25085 1 116 . 1 1 18 18 ALA C C 13 178.260 0.050 . 1 . . . A 11 ALA C . 25085 1 117 . 1 1 18 18 ALA CA C 13 55.142 0.045 . 1 . . . A 11 ALA CA . 25085 1 118 . 1 1 18 18 ALA CB C 13 18.293 0.041 . 1 . . . A 11 ALA CB . 25085 1 119 . 1 1 18 18 ALA N N 15 123.686 0.022 . 1 . . . A 11 ALA N . 25085 1 120 . 1 1 19 19 GLN H H 1 8.431 0.005 . 1 . . . A 12 GLN H . 25085 1 121 . 1 1 19 19 GLN HA H 1 4.000 0.007 . 1 . . . A 12 GLN HA . 25085 1 122 . 1 1 19 19 GLN HB2 H 1 2.117 0.016 . 1 . . . A 12 GLN HB2 . 25085 1 123 . 1 1 19 19 GLN HB3 H 1 2.032 0.005 . 1 . . . A 12 GLN HB3 . 25085 1 124 . 1 1 19 19 GLN HG2 H 1 2.357 0.004 . 1 . . . A 12 GLN HG2 . 25085 1 125 . 1 1 19 19 GLN HG3 H 1 2.230 0.006 . 1 . . . A 12 GLN HG3 . 25085 1 126 . 1 1 19 19 GLN C C 13 178.499 0.050 . 1 . . . A 12 GLN C . 25085 1 127 . 1 1 19 19 GLN CA C 13 60.102 0.038 . 1 . . . A 12 GLN CA . 25085 1 128 . 1 1 19 19 GLN CB C 13 28.743 0.027 . 1 . . . A 12 GLN CB . 25085 1 129 . 1 1 19 19 GLN CG C 13 34.517 0.031 . 1 . . . A 12 GLN CG . 25085 1 130 . 1 1 19 19 GLN N N 15 117.521 0.019 . 1 . . . A 12 GLN N . 25085 1 131 . 1 1 20 20 GLU H H 1 7.234 0.005 . 1 . . . A 13 GLU H . 25085 1 132 . 1 1 20 20 GLU HA H 1 4.059 0.015 . 1 . . . A 13 GLU HA . 25085 1 133 . 1 1 20 20 GLU HB2 H 1 2.036 0.010 . 1 . . . A 13 GLU HB2 . 25085 1 134 . 1 1 20 20 GLU HB3 H 1 2.036 0.010 . 1 . . . A 13 GLU HB3 . 25085 1 135 . 1 1 20 20 GLU HG2 H 1 2.279 0.030 . 1 . . . A 13 GLU HG2 . 25085 1 136 . 1 1 20 20 GLU HG3 H 1 2.178 0.022 . 1 . . . A 13 GLU HG3 . 25085 1 137 . 1 1 20 20 GLU C C 13 178.352 0.050 . 1 . . . A 13 GLU C . 25085 1 138 . 1 1 20 20 GLU CA C 13 59.079 0.027 . 1 . . . A 13 GLU CA . 25085 1 139 . 1 1 20 20 GLU CB C 13 29.213 0.030 . 1 . . . A 13 GLU CB . 25085 1 140 . 1 1 20 20 GLU CG C 13 36.010 0.035 . 1 . . . A 13 GLU CG . 25085 1 141 . 1 1 20 20 GLU N N 15 118.578 0.028 . 1 . . . A 13 GLU N . 25085 1 142 . 1 1 21 21 LEU H H 1 7.582 0.005 . 1 . . . A 14 LEU H . 25085 1 143 . 1 1 21 21 LEU HA H 1 3.891 0.004 . 1 . . . A 14 LEU HA . 25085 1 144 . 1 1 21 21 LEU HB2 H 1 1.531 0.010 . 1 . . . A 14 LEU HB2 . 25085 1 145 . 1 1 21 21 LEU HB3 H 1 1.138 0.009 . 1 . . . A 14 LEU HB3 . 25085 1 146 . 1 1 21 21 LEU HG H 1 1.409 0.023 . 1 . . . A 14 LEU HG . 25085 1 147 . 1 1 21 21 LEU HD11 H 1 0.373 0.007 . 1 . . . A 14 LEU HD11 . 25085 1 148 . 1 1 21 21 LEU HD12 H 1 0.373 0.007 . 1 . . . A 14 LEU HD12 . 25085 1 149 . 1 1 21 21 LEU HD13 H 1 0.373 0.007 . 1 . . . A 14 LEU HD13 . 25085 1 150 . 1 1 21 21 LEU HD21 H 1 0.159 0.007 . 1 . . . A 14 LEU HD21 . 25085 1 151 . 1 1 21 21 LEU HD22 H 1 0.159 0.007 . 1 . . . A 14 LEU HD22 . 25085 1 152 . 1 1 21 21 LEU HD23 H 1 0.159 0.007 . 1 . . . A 14 LEU HD23 . 25085 1 153 . 1 1 21 21 LEU C C 13 180.773 0.050 . 1 . . . A 14 LEU C . 25085 1 154 . 1 1 21 21 LEU CA C 13 57.958 0.034 . 1 . . . A 14 LEU CA . 25085 1 155 . 1 1 21 21 LEU CB C 13 41.715 0.018 . 1 . . . A 14 LEU CB . 25085 1 156 . 1 1 21 21 LEU CG C 13 27.029 0.050 . 1 . . . A 14 LEU CG . 25085 1 157 . 1 1 21 21 LEU CD1 C 13 23.123 0.050 . 1 . . . A 14 LEU CD1 . 25085 1 158 . 1 1 21 21 LEU CD2 C 13 24.554 0.050 . 1 . . . A 14 LEU CD2 . 25085 1 159 . 1 1 21 21 LEU N N 15 119.848 0.023 . 1 . . . A 14 LEU N . 25085 1 160 . 1 1 22 22 ILE H H 1 8.772 0.006 . 1 . . . A 15 ILE H . 25085 1 161 . 1 1 22 22 ILE HA H 1 3.924 0.005 . 1 . . . A 15 ILE HA . 25085 1 162 . 1 1 22 22 ILE HB H 1 1.803 0.008 . 1 . . . A 15 ILE HB . 25085 1 163 . 1 1 22 22 ILE HG12 H 1 1.586 0.010 . 1 . . . A 15 ILE HG12 . 25085 1 164 . 1 1 22 22 ILE HG13 H 1 0.753 0.003 . 1 . . . A 15 ILE HG13 . 25085 1 165 . 1 1 22 22 ILE HG21 H 1 0.894 0.005 . 1 . . . A 15 ILE HG21 . 25085 1 166 . 1 1 22 22 ILE HG22 H 1 0.894 0.005 . 1 . . . A 15 ILE HG22 . 25085 1 167 . 1 1 22 22 ILE HG23 H 1 0.894 0.005 . 1 . . . A 15 ILE HG23 . 25085 1 168 . 1 1 22 22 ILE HD11 H 1 0.755 0.006 . 1 . . . A 15 ILE HD11 . 25085 1 169 . 1 1 22 22 ILE HD12 H 1 0.755 0.006 . 1 . . . A 15 ILE HD12 . 25085 1 170 . 1 1 22 22 ILE HD13 H 1 0.755 0.006 . 1 . . . A 15 ILE HD13 . 25085 1 171 . 1 1 22 22 ILE C C 13 180.109 0.050 . 1 . . . A 15 ILE C . 25085 1 172 . 1 1 22 22 ILE CA C 13 64.663 0.019 . 1 . . . A 15 ILE CA . 25085 1 173 . 1 1 22 22 ILE CB C 13 38.900 0.054 . 1 . . . A 15 ILE CB . 25085 1 174 . 1 1 22 22 ILE CG1 C 13 28.877 0.050 . 1 . . . A 15 ILE CG1 . 25085 1 175 . 1 1 22 22 ILE CG2 C 13 16.858 0.050 . 1 . . . A 15 ILE CG2 . 25085 1 176 . 1 1 22 22 ILE CD1 C 13 15.682 0.050 . 1 . . . A 15 ILE CD1 . 25085 1 177 . 1 1 22 22 ILE N N 15 122.392 0.026 . 1 . . . A 15 ILE N . 25085 1 178 . 1 1 23 23 ALA H H 1 7.808 0.005 . 1 . . . A 16 ALA H . 25085 1 179 . 1 1 23 23 ALA HA H 1 4.183 0.007 . 1 . . . A 16 ALA HA . 25085 1 180 . 1 1 23 23 ALA HB1 H 1 1.527 0.007 . 1 . . . A 16 ALA HB1 . 25085 1 181 . 1 1 23 23 ALA HB2 H 1 1.527 0.007 . 1 . . . A 16 ALA HB2 . 25085 1 182 . 1 1 23 23 ALA HB3 H 1 1.527 0.007 . 1 . . . A 16 ALA HB3 . 25085 1 183 . 1 1 23 23 ALA C C 13 179.100 0.050 . 1 . . . A 16 ALA C . 25085 1 184 . 1 1 23 23 ALA CA C 13 54.806 0.029 . 1 . . . A 16 ALA CA . 25085 1 185 . 1 1 23 23 ALA CB C 13 17.646 0.026 . 1 . . . A 16 ALA CB . 25085 1 186 . 1 1 23 23 ALA N N 15 123.856 0.019 . 1 . . . A 16 ALA N . 25085 1 187 . 1 1 24 24 ARG H H 1 7.280 0.006 . 1 . . . A 17 ARG H . 25085 1 188 . 1 1 24 24 ARG HA H 1 4.404 0.006 . 1 . . . A 17 ARG HA . 25085 1 189 . 1 1 24 24 ARG HB2 H 1 2.168 0.005 . 1 . . . A 17 ARG HB2 . 25085 1 190 . 1 1 24 24 ARG HB3 H 1 1.837 0.013 . 1 . . . A 17 ARG HB3 . 25085 1 191 . 1 1 24 24 ARG HG2 H 1 1.690 0.002 . 1 . . . A 17 ARG HG2 . 25085 1 192 . 1 1 24 24 ARG HG3 H 1 1.832 0.002 . 1 . . . A 17 ARG HG3 . 25085 1 193 . 1 1 24 24 ARG HD2 H 1 3.135 0.010 . 1 . . . A 17 ARG HD2 . 25085 1 194 . 1 1 24 24 ARG HD3 H 1 3.178 0.002 . 1 . . . A 17 ARG HD3 . 25085 1 195 . 1 1 24 24 ARG C C 13 176.446 0.050 . 1 . . . A 17 ARG C . 25085 1 196 . 1 1 24 24 ARG CA C 13 56.015 0.027 . 1 . . . A 17 ARG CA . 25085 1 197 . 1 1 24 24 ARG CB C 13 30.676 0.022 . 1 . . . A 17 ARG CB . 25085 1 198 . 1 1 24 24 ARG CG C 13 27.635 0.050 . 1 . . . A 17 ARG CG . 25085 1 199 . 1 1 24 24 ARG CD C 13 43.772 0.050 . 1 . . . A 17 ARG CD . 25085 1 200 . 1 1 24 24 ARG N N 15 115.329 0.030 . 1 . . . A 17 ARG N . 25085 1 201 . 1 1 25 25 GLY H H 1 7.795 0.005 . 1 . . . A 18 GLY H . 25085 1 202 . 1 1 25 25 GLY HA2 H 1 4.509 0.005 . 1 . . . A 18 GLY HA2 . 25085 1 203 . 1 1 25 25 GLY HA3 H 1 3.623 0.005 . 1 . . . A 18 GLY HA3 . 25085 1 204 . 1 1 25 25 GLY C C 13 174.072 0.050 . 1 . . . A 18 GLY C . 25085 1 205 . 1 1 25 25 GLY CA C 13 45.218 0.020 . 1 . . . A 18 GLY CA . 25085 1 206 . 1 1 25 25 GLY N N 15 107.395 0.013 . 1 . . . A 18 GLY N . 25085 1 207 . 1 1 26 26 ALA H H 1 7.980 0.009 . 1 . . . A 19 ALA H . 25085 1 208 . 1 1 26 26 ALA HA H 1 4.217 0.005 . 1 . . . A 19 ALA HA . 25085 1 209 . 1 1 26 26 ALA HB1 H 1 0.893 0.007 . 1 . . . A 19 ALA HB1 . 25085 1 210 . 1 1 26 26 ALA HB2 H 1 0.893 0.007 . 1 . . . A 19 ALA HB2 . 25085 1 211 . 1 1 26 26 ALA HB3 H 1 0.893 0.007 . 1 . . . A 19 ALA HB3 . 25085 1 212 . 1 1 26 26 ALA C C 13 176.261 0.050 . 1 . . . A 19 ALA C . 25085 1 213 . 1 1 26 26 ALA CA C 13 52.674 0.035 . 1 . . . A 19 ALA CA . 25085 1 214 . 1 1 26 26 ALA CB C 13 19.411 0.041 . 1 . . . A 19 ALA CB . 25085 1 215 . 1 1 26 26 ALA N N 15 123.197 0.041 . 1 . . . A 19 ALA N . 25085 1 216 . 1 1 27 27 LYS H H 1 7.589 0.008 . 1 . . . A 20 LYS H . 25085 1 217 . 1 1 27 27 LYS HA H 1 4.308 0.007 . 1 . . . A 20 LYS HA . 25085 1 218 . 1 1 27 27 LYS HB2 H 1 1.604 0.007 . 1 . . . A 20 LYS HB2 . 25085 1 219 . 1 1 27 27 LYS HB3 H 1 1.455 0.014 . 1 . . . A 20 LYS HB3 . 25085 1 220 . 1 1 27 27 LYS HG2 H 1 1.291 0.011 . 1 . . . A 20 LYS HG2 . 25085 1 221 . 1 1 27 27 LYS HG3 H 1 1.291 0.011 . 1 . . . A 20 LYS HG3 . 25085 1 222 . 1 1 27 27 LYS HD2 H 1 1.559 0.008 . 1 . . . A 20 LYS HD2 . 25085 1 223 . 1 1 27 27 LYS HD3 H 1 1.559 0.008 . 1 . . . A 20 LYS HD3 . 25085 1 224 . 1 1 27 27 LYS HE2 H 1 2.812 0.002 . 1 . . . A 20 LYS HE2 . 25085 1 225 . 1 1 27 27 LYS HE3 H 1 2.661 0.004 . 1 . . . A 20 LYS HE3 . 25085 1 226 . 1 1 27 27 LYS C C 13 173.981 0.050 . 1 . . . A 20 LYS C . 25085 1 227 . 1 1 27 27 LYS CA C 13 53.820 0.084 . 1 . . . A 20 LYS CA . 25085 1 228 . 1 1 27 27 LYS CB C 13 33.571 0.060 . 1 . . . A 20 LYS CB . 25085 1 229 . 1 1 27 27 LYS CG C 13 23.786 0.050 . 1 . . . A 20 LYS CG . 25085 1 230 . 1 1 27 27 LYS CD C 13 27.713 0.050 . 1 . . . A 20 LYS CD . 25085 1 231 . 1 1 27 27 LYS CE C 13 41.740 0.030 . 1 . . . A 20 LYS CE . 25085 1 232 . 1 1 27 27 LYS N N 15 118.629 0.035 . 1 . . . A 20 LYS N . 25085 1 233 . 1 1 28 28 LEU H H 1 8.812 0.007 . 1 . . . A 21 LEU H . 25085 1 234 . 1 1 28 28 LEU HA H 1 5.154 0.017 . 1 . . . A 21 LEU HA . 25085 1 235 . 1 1 28 28 LEU HB2 H 1 1.664 0.013 . 1 . . . A 21 LEU HB2 . 25085 1 236 . 1 1 28 28 LEU HB3 H 1 0.995 0.007 . 1 . . . A 21 LEU HB3 . 25085 1 237 . 1 1 28 28 LEU HG H 1 1.313 0.011 . 1 . . . A 21 LEU HG . 25085 1 238 . 1 1 28 28 LEU HD11 H 1 0.402 0.005 . 1 . . . A 21 LEU HD11 . 25085 1 239 . 1 1 28 28 LEU HD12 H 1 0.402 0.005 . 1 . . . A 21 LEU HD12 . 25085 1 240 . 1 1 28 28 LEU HD13 H 1 0.402 0.005 . 1 . . . A 21 LEU HD13 . 25085 1 241 . 1 1 28 28 LEU HD21 H 1 0.655 0.014 . 1 . . . A 21 LEU HD21 . 25085 1 242 . 1 1 28 28 LEU HD22 H 1 0.655 0.014 . 1 . . . A 21 LEU HD22 . 25085 1 243 . 1 1 28 28 LEU HD23 H 1 0.655 0.014 . 1 . . . A 21 LEU HD23 . 25085 1 244 . 1 1 28 28 LEU C C 13 174.076 0.050 . 1 . . . A 21 LEU C . 25085 1 245 . 1 1 28 28 LEU CA C 13 53.262 0.069 . 1 . . . A 21 LEU CA . 25085 1 246 . 1 1 28 28 LEU CB C 13 44.350 0.028 . 1 . . . A 21 LEU CB . 25085 1 247 . 1 1 28 28 LEU CG C 13 27.104 0.050 . 1 . . . A 21 LEU CG . 25085 1 248 . 1 1 28 28 LEU CD2 C 13 23.487 0.050 . 1 . . . A 21 LEU CD2 . 25085 1 249 . 1 1 28 28 LEU N N 15 126.686 0.043 . 1 . . . A 21 LEU N . 25085 1 250 . 1 1 29 29 ILE H H 1 9.416 0.006 . 1 . . . A 22 ILE H . 25085 1 251 . 1 1 29 29 ILE HA H 1 4.678 0.005 . 1 . . . A 22 ILE HA . 25085 1 252 . 1 1 29 29 ILE HB H 1 1.618 0.007 . 1 . . . A 22 ILE HB . 25085 1 253 . 1 1 29 29 ILE HG12 H 1 1.244 0.007 . 1 . . . A 22 ILE HG12 . 25085 1 254 . 1 1 29 29 ILE HG13 H 1 1.244 0.007 . 1 . . . A 22 ILE HG13 . 25085 1 255 . 1 1 29 29 ILE HG21 H 1 0.821 0.018 . 1 . . . A 22 ILE HG21 . 25085 1 256 . 1 1 29 29 ILE HG22 H 1 0.821 0.018 . 1 . . . A 22 ILE HG22 . 25085 1 257 . 1 1 29 29 ILE HG23 H 1 0.821 0.018 . 1 . . . A 22 ILE HG23 . 25085 1 258 . 1 1 29 29 ILE HD11 H 1 0.675 0.016 . 1 . . . A 22 ILE HD11 . 25085 1 259 . 1 1 29 29 ILE HD12 H 1 0.675 0.016 . 1 . . . A 22 ILE HD12 . 25085 1 260 . 1 1 29 29 ILE HD13 H 1 0.675 0.016 . 1 . . . A 22 ILE HD13 . 25085 1 261 . 1 1 29 29 ILE C C 13 173.136 0.050 . 1 . . . A 22 ILE C . 25085 1 262 . 1 1 29 29 ILE CA C 13 60.160 0.024 . 1 . . . A 22 ILE CA . 25085 1 263 . 1 1 29 29 ILE CB C 13 39.842 0.048 . 1 . . . A 22 ILE CB . 25085 1 264 . 1 1 29 29 ILE CG1 C 13 27.380 0.050 . 1 . . . A 22 ILE CG1 . 25085 1 265 . 1 1 29 29 ILE CG2 C 13 18.379 0.050 . 1 . . . A 22 ILE CG2 . 25085 1 266 . 1 1 29 29 ILE CD1 C 13 14.554 0.050 . 1 . . . A 22 ILE CD1 . 25085 1 267 . 1 1 29 29 ILE N N 15 127.566 0.021 . 1 . . . A 22 ILE N . 25085 1 268 . 1 1 30 30 ASP H H 1 8.619 0.006 . 1 . . . A 23 ASP H . 25085 1 269 . 1 1 30 30 ASP HA H 1 3.806 0.010 . 1 . . . A 23 ASP HA . 25085 1 270 . 1 1 30 30 ASP HB2 H 1 2.736 0.006 . 1 . . . A 23 ASP HB2 . 25085 1 271 . 1 1 30 30 ASP HB3 H 1 2.477 0.007 . 1 . . . A 23 ASP HB3 . 25085 1 272 . 1 1 30 30 ASP C C 13 176.042 0.050 . 1 . . . A 23 ASP C . 25085 1 273 . 1 1 30 30 ASP CA C 13 52.005 0.022 . 1 . . . A 23 ASP CA . 25085 1 274 . 1 1 30 30 ASP CB C 13 42.984 0.048 . 1 . . . A 23 ASP CB . 25085 1 275 . 1 1 30 30 ASP N N 15 129.217 0.023 . 1 . . . A 23 ASP N . 25085 1 276 . 1 1 31 31 ILE H H 1 7.877 0.004 . 1 . . . A 24 ILE H . 25085 1 277 . 1 1 31 31 ILE HA H 1 5.255 0.008 . 1 . . . A 24 ILE HA . 25085 1 278 . 1 1 31 31 ILE HB H 1 2.051 0.007 . 1 . . . A 24 ILE HB . 25085 1 279 . 1 1 31 31 ILE HG12 H 1 1.099 0.010 . 1 . . . A 24 ILE HG12 . 25085 1 280 . 1 1 31 31 ILE HG13 H 1 1.099 0.010 . 1 . . . A 24 ILE HG13 . 25085 1 281 . 1 1 31 31 ILE HG21 H 1 0.993 0.008 . 1 . . . A 24 ILE HG21 . 25085 1 282 . 1 1 31 31 ILE HG22 H 1 0.993 0.008 . 1 . . . A 24 ILE HG22 . 25085 1 283 . 1 1 31 31 ILE HG23 H 1 0.993 0.008 . 1 . . . A 24 ILE HG23 . 25085 1 284 . 1 1 31 31 ILE HD11 H 1 0.650 0.005 . 1 . . . A 24 ILE HD11 . 25085 1 285 . 1 1 31 31 ILE HD12 H 1 0.650 0.005 . 1 . . . A 24 ILE HD12 . 25085 1 286 . 1 1 31 31 ILE HD13 H 1 0.650 0.005 . 1 . . . A 24 ILE HD13 . 25085 1 287 . 1 1 31 31 ILE C C 13 178.920 0.050 . 1 . . . A 24 ILE C . 25085 1 288 . 1 1 31 31 ILE CA C 13 60.188 0.101 . 1 . . . A 24 ILE CA . 25085 1 289 . 1 1 31 31 ILE CB C 13 38.015 0.079 . 1 . . . A 24 ILE CB . 25085 1 290 . 1 1 31 31 ILE CG1 C 13 25.934 0.050 . 1 . . . A 24 ILE CG1 . 25085 1 291 . 1 1 31 31 ILE CG2 C 13 18.442 0.050 . 1 . . . A 24 ILE CG2 . 25085 1 292 . 1 1 31 31 ILE CD1 C 13 16.285 0.050 . 1 . . . A 24 ILE CD1 . 25085 1 293 . 1 1 31 31 ILE N N 15 115.522 0.013 . 1 . . . A 24 ILE N . 25085 1 294 . 1 1 32 32 ARG H H 1 8.235 0.010 . 1 . . . A 25 ARG H . 25085 1 295 . 1 1 32 32 ARG HA H 1 4.170 0.007 . 1 . . . A 25 ARG HA . 25085 1 296 . 1 1 32 32 ARG HB2 H 1 2.177 0.005 . 1 . . . A 25 ARG HB2 . 25085 1 297 . 1 1 32 32 ARG HB3 H 1 2.037 0.011 . 1 . . . A 25 ARG HB3 . 25085 1 298 . 1 1 32 32 ARG HG2 H 1 2.001 0.010 . 1 . . . A 25 ARG HG2 . 25085 1 299 . 1 1 32 32 ARG HG3 H 1 1.879 0.011 . 1 . . . A 25 ARG HG3 . 25085 1 300 . 1 1 32 32 ARG HD2 H 1 3.267 0.007 . 1 . . . A 25 ARG HD2 . 25085 1 301 . 1 1 32 32 ARG HD3 H 1 2.919 0.006 . 1 . . . A 25 ARG HD3 . 25085 1 302 . 1 1 32 32 ARG C C 13 171.756 0.050 . 1 . . . A 25 ARG C . 25085 1 303 . 1 1 32 32 ARG CA C 13 56.547 0.019 . 1 . . . A 25 ARG CA . 25085 1 304 . 1 1 32 32 ARG CB C 13 30.897 0.026 . 1 . . . A 25 ARG CB . 25085 1 305 . 1 1 32 32 ARG CG C 13 26.922 0.050 . 1 . . . A 25 ARG CG . 25085 1 306 . 1 1 32 32 ARG CD C 13 44.606 0.036 . 1 . . . A 25 ARG CD . 25085 1 307 . 1 1 32 32 ARG N N 15 124.317 0.055 . 1 . . . A 25 ARG N . 25085 1 308 . 1 1 33 33 ASP H H 1 7.730 0.005 . 1 . . . A 26 ASP H . 25085 1 309 . 1 1 33 33 ASP HA H 1 4.609 0.006 . 1 . . . A 26 ASP HA . 25085 1 310 . 1 1 33 33 ASP HB2 H 1 2.913 0.006 . 1 . . . A 26 ASP HB2 . 25085 1 311 . 1 1 33 33 ASP HB3 H 1 2.696 0.007 . 1 . . . A 26 ASP HB3 . 25085 1 312 . 1 1 33 33 ASP C C 13 177.934 0.050 . 1 . . . A 26 ASP C . 25085 1 313 . 1 1 33 33 ASP CA C 13 54.398 0.076 . 1 . . . A 26 ASP CA . 25085 1 314 . 1 1 33 33 ASP CB C 13 42.029 0.039 . 1 . . . A 26 ASP CB . 25085 1 315 . 1 1 33 33 ASP N N 15 112.059 0.021 . 1 . . . A 26 ASP N . 25085 1 316 . 1 1 34 34 ALA H H 1 8.797 0.006 . 1 . . . A 27 ALA H . 25085 1 317 . 1 1 34 34 ALA HA H 1 3.959 0.007 . 1 . . . A 27 ALA HA . 25085 1 318 . 1 1 34 34 ALA HB1 H 1 1.379 0.001 . 1 . . . A 27 ALA HB1 . 25085 1 319 . 1 1 34 34 ALA HB2 H 1 1.379 0.001 . 1 . . . A 27 ALA HB2 . 25085 1 320 . 1 1 34 34 ALA HB3 H 1 1.379 0.001 . 1 . . . A 27 ALA HB3 . 25085 1 321 . 1 1 34 34 ALA C C 13 179.388 0.050 . 1 . . . A 27 ALA C . 25085 1 322 . 1 1 34 34 ALA CA C 13 55.829 0.062 . 1 . . . A 27 ALA CA . 25085 1 323 . 1 1 34 34 ALA CB C 13 18.572 0.055 . 1 . . . A 27 ALA CB . 25085 1 324 . 1 1 34 34 ALA N N 15 121.435 0.026 . 1 . . . A 27 ALA N . 25085 1 325 . 1 1 35 35 ASP H H 1 8.755 0.006 . 1 . . . A 28 ASP H . 25085 1 326 . 1 1 35 35 ASP HA H 1 4.314 0.004 . 1 . . . A 28 ASP HA . 25085 1 327 . 1 1 35 35 ASP HB2 H 1 2.645 0.006 . 1 . . . A 28 ASP HB2 . 25085 1 328 . 1 1 35 35 ASP HB3 H 1 2.645 0.006 . 1 . . . A 28 ASP HB3 . 25085 1 329 . 1 1 35 35 ASP C C 13 178.738 0.050 . 1 . . . A 28 ASP C . 25085 1 330 . 1 1 35 35 ASP CA C 13 56.997 0.007 . 1 . . . A 28 ASP CA . 25085 1 331 . 1 1 35 35 ASP CB C 13 39.811 0.014 . 1 . . . A 28 ASP CB . 25085 1 332 . 1 1 35 35 ASP N N 15 114.759 0.017 . 1 . . . A 28 ASP N . 25085 1 333 . 1 1 36 36 GLU H H 1 7.446 0.005 . 1 . . . A 29 GLU H . 25085 1 334 . 1 1 36 36 GLU HA H 1 4.116 0.016 . 1 . . . A 29 GLU HA . 25085 1 335 . 1 1 36 36 GLU HB2 H 1 2.354 0.009 . 1 . . . A 29 GLU HB2 . 25085 1 336 . 1 1 36 36 GLU HB3 H 1 2.178 0.006 . 1 . . . A 29 GLU HB3 . 25085 1 337 . 1 1 36 36 GLU HG2 H 1 2.464 0.011 . 1 . . . A 29 GLU HG2 . 25085 1 338 . 1 1 36 36 GLU HG3 H 1 2.307 0.010 . 1 . . . A 29 GLU HG3 . 25085 1 339 . 1 1 36 36 GLU C C 13 178.473 0.050 . 1 . . . A 29 GLU C . 25085 1 340 . 1 1 36 36 GLU CA C 13 58.928 0.026 . 1 . . . A 29 GLU CA . 25085 1 341 . 1 1 36 36 GLU CB C 13 29.395 0.047 . 1 . . . A 29 GLU CB . 25085 1 342 . 1 1 36 36 GLU CG C 13 36.984 0.038 . 1 . . . A 29 GLU CG . 25085 1 343 . 1 1 36 36 GLU N N 15 119.562 0.020 . 1 . . . A 29 GLU N . 25085 1 344 . 1 1 37 37 TYR H H 1 7.545 0.006 . 1 . . . A 30 TYR H . 25085 1 345 . 1 1 37 37 TYR HA H 1 4.092 0.018 . 1 . . . A 30 TYR HA . 25085 1 346 . 1 1 37 37 TYR HB2 H 1 2.953 0.006 . 1 . . . A 30 TYR HB2 . 25085 1 347 . 1 1 37 37 TYR HB3 H 1 2.792 0.008 . 1 . . . A 30 TYR HB3 . 25085 1 348 . 1 1 37 37 TYR C C 13 176.988 0.050 . 1 . . . A 30 TYR C . 25085 1 349 . 1 1 37 37 TYR CA C 13 60.931 0.004 . 1 . . . A 30 TYR CA . 25085 1 350 . 1 1 37 37 TYR CB C 13 39.534 0.040 . 1 . . . A 30 TYR CB . 25085 1 351 . 1 1 37 37 TYR N N 15 120.494 0.025 . 1 . . . A 30 TYR N . 25085 1 352 . 1 1 38 38 LEU H H 1 8.235 0.011 . 1 . . . A 31 LEU H . 25085 1 353 . 1 1 38 38 LEU HA H 1 3.916 0.005 . 1 . . . A 31 LEU HA . 25085 1 354 . 1 1 38 38 LEU HB2 H 1 1.800 0.009 . 1 . . . A 31 LEU HB2 . 25085 1 355 . 1 1 38 38 LEU HB3 H 1 1.664 0.006 . 1 . . . A 31 LEU HB3 . 25085 1 356 . 1 1 38 38 LEU HG H 1 1.774 0.005 . 1 . . . A 31 LEU HG . 25085 1 357 . 1 1 38 38 LEU HD11 H 1 0.915 0.003 . 1 . . . A 31 LEU HD11 . 25085 1 358 . 1 1 38 38 LEU HD12 H 1 0.915 0.003 . 1 . . . A 31 LEU HD12 . 25085 1 359 . 1 1 38 38 LEU HD13 H 1 0.915 0.003 . 1 . . . A 31 LEU HD13 . 25085 1 360 . 1 1 38 38 LEU HD21 H 1 0.915 0.003 . 1 . . . A 31 LEU HD21 . 25085 1 361 . 1 1 38 38 LEU HD22 H 1 0.915 0.003 . 1 . . . A 31 LEU HD22 . 25085 1 362 . 1 1 38 38 LEU HD23 H 1 0.915 0.003 . 1 . . . A 31 LEU HD23 . 25085 1 363 . 1 1 38 38 LEU C C 13 178.824 0.050 . 1 . . . A 31 LEU C . 25085 1 364 . 1 1 38 38 LEU CA C 13 57.444 0.007 . 1 . . . A 31 LEU CA . 25085 1 365 . 1 1 38 38 LEU CB C 13 41.941 0.031 . 1 . . . A 31 LEU CB . 25085 1 366 . 1 1 38 38 LEU CG C 13 27.149 0.050 . 1 . . . A 31 LEU CG . 25085 1 367 . 1 1 38 38 LEU CD1 C 13 24.517 0.050 . 1 . . . A 31 LEU CD1 . 25085 1 368 . 1 1 38 38 LEU CD2 C 13 23.984 0.050 . 1 . . . A 31 LEU CD2 . 25085 1 369 . 1 1 38 38 LEU N N 15 118.227 0.064 . 1 . . . A 31 LEU N . 25085 1 370 . 1 1 39 39 ARG H H 1 7.133 0.007 . 1 . . . A 32 ARG H . 25085 1 371 . 1 1 39 39 ARG HA H 1 4.112 0.009 . 1 . . . A 32 ARG HA . 25085 1 372 . 1 1 39 39 ARG HB2 H 1 1.937 0.006 . 1 . . . A 32 ARG HB2 . 25085 1 373 . 1 1 39 39 ARG HB3 H 1 1.738 0.010 . 1 . . . A 32 ARG HB3 . 25085 1 374 . 1 1 39 39 ARG HG2 H 1 1.839 0.005 . 1 . . . A 32 ARG HG2 . 25085 1 375 . 1 1 39 39 ARG HG3 H 1 1.630 0.006 . 1 . . . A 32 ARG HG3 . 25085 1 376 . 1 1 39 39 ARG HD2 H 1 3.265 0.003 . 1 . . . A 32 ARG HD2 . 25085 1 377 . 1 1 39 39 ARG HD3 H 1 3.265 0.003 . 1 . . . A 32 ARG HD3 . 25085 1 378 . 1 1 39 39 ARG C C 13 177.008 0.050 . 1 . . . A 32 ARG C . 25085 1 379 . 1 1 39 39 ARG CA C 13 59.366 0.031 . 1 . . . A 32 ARG CA . 25085 1 380 . 1 1 39 39 ARG CB C 13 30.938 0.015 . 1 . . . A 32 ARG CB . 25085 1 381 . 1 1 39 39 ARG CG C 13 28.031 0.050 . 1 . . . A 32 ARG CG . 25085 1 382 . 1 1 39 39 ARG CD C 13 43.499 0.025 . 1 . . . A 32 ARG CD . 25085 1 383 . 1 1 39 39 ARG N N 15 117.334 0.023 . 1 . . . A 32 ARG N . 25085 1 384 . 1 1 40 40 GLU H H 1 7.521 0.006 . 1 . . . A 33 GLU H . 25085 1 385 . 1 1 40 40 GLU HA H 1 4.893 0.008 . 1 . . . A 33 GLU HA . 25085 1 386 . 1 1 40 40 GLU HB2 H 1 2.070 0.002 . 1 . . . A 33 GLU HB2 . 25085 1 387 . 1 1 40 40 GLU HB3 H 1 1.983 0.009 . 1 . . . A 33 GLU HB3 . 25085 1 388 . 1 1 40 40 GLU HG2 H 1 1.925 0.005 . 1 . . . A 33 GLU HG2 . 25085 1 389 . 1 1 40 40 GLU HG3 H 1 1.844 0.004 . 1 . . . A 33 GLU HG3 . 25085 1 390 . 1 1 40 40 GLU C C 13 173.503 0.050 . 1 . . . A 33 GLU C . 25085 1 391 . 1 1 40 40 GLU CA C 13 56.291 0.021 . 1 . . . A 33 GLU CA . 25085 1 392 . 1 1 40 40 GLU CB C 13 32.248 0.060 . 1 . . . A 33 GLU CB . 25085 1 393 . 1 1 40 40 GLU CG C 13 37.117 0.064 . 1 . . . A 33 GLU CG . 25085 1 394 . 1 1 40 40 GLU N N 15 117.282 0.014 . 1 . . . A 33 GLU N . 25085 1 395 . 1 1 41 41 HIS H H 1 8.354 0.006 . 1 . . . A 34 HIS H . 25085 1 396 . 1 1 41 41 HIS HA H 1 4.627 0.005 . 1 . . . A 34 HIS HA . 25085 1 397 . 1 1 41 41 HIS HB2 H 1 2.945 0.008 . 1 . . . A 34 HIS HB2 . 25085 1 398 . 1 1 41 41 HIS HB3 H 1 2.721 0.006 . 1 . . . A 34 HIS HB3 . 25085 1 399 . 1 1 41 41 HIS C C 13 171.950 0.050 . 1 . . . A 34 HIS C . 25085 1 400 . 1 1 41 41 HIS CA C 13 54.304 0.018 . 1 . . . A 34 HIS CA . 25085 1 401 . 1 1 41 41 HIS CB C 13 30.712 0.017 . 1 . . . A 34 HIS CB . 25085 1 402 . 1 1 41 41 HIS N N 15 117.828 0.041 . 1 . . . A 34 HIS N . 25085 1 403 . 1 1 42 42 ILE H H 1 10.032 0.010 . 1 . . . A 35 ILE H . 25085 1 404 . 1 1 42 42 ILE HA H 1 3.973 0.007 . 1 . . . A 35 ILE HA . 25085 1 405 . 1 1 42 42 ILE HB H 1 1.165 0.002 . 1 . . . A 35 ILE HB . 25085 1 406 . 1 1 42 42 ILE HG12 H 1 -0.604 0.009 . 1 . . . A 35 ILE HG12 . 25085 1 407 . 1 1 42 42 ILE HG13 H 1 0.946 0.006 . 1 . . . A 35 ILE HG13 . 25085 1 408 . 1 1 42 42 ILE HG21 H 1 0.085 0.134 . 1 . . . A 35 ILE HG21 . 25085 1 409 . 1 1 42 42 ILE HG22 H 1 0.085 0.134 . 1 . . . A 35 ILE HG22 . 25085 1 410 . 1 1 42 42 ILE HG23 H 1 0.085 0.134 . 1 . . . A 35 ILE HG23 . 25085 1 411 . 1 1 42 42 ILE HD11 H 1 -0.900 0.001 . 1 . . . A 35 ILE HD11 . 25085 1 412 . 1 1 42 42 ILE HD12 H 1 -0.900 0.001 . 1 . . . A 35 ILE HD12 . 25085 1 413 . 1 1 42 42 ILE HD13 H 1 -0.900 0.001 . 1 . . . A 35 ILE HD13 . 25085 1 414 . 1 1 42 42 ILE CA C 13 60.500 0.050 . 1 . . . A 35 ILE CA . 25085 1 415 . 1 1 42 42 ILE CB C 13 38.822 0.027 . 1 . . . A 35 ILE CB . 25085 1 416 . 1 1 42 42 ILE N N 15 126.965 0.042 . 1 . . . A 35 ILE N . 25085 1 417 . 1 1 43 43 PRO HA H 1 4.033 0.013 . 1 . . . A 36 PRO HA . 25085 1 418 . 1 1 43 43 PRO HB2 H 1 2.319 0.005 . 1 . . . A 36 PRO HB2 . 25085 1 419 . 1 1 43 43 PRO HB3 H 1 1.966 0.009 . 1 . . . A 36 PRO HB3 . 25085 1 420 . 1 1 43 43 PRO HG2 H 1 2.132 0.010 . 1 . . . A 36 PRO HG2 . 25085 1 421 . 1 1 43 43 PRO HG3 H 1 1.671 0.006 . 1 . . . A 36 PRO HG3 . 25085 1 422 . 1 1 43 43 PRO HD2 H 1 3.975 0.002 . 1 . . . A 36 PRO HD2 . 25085 1 423 . 1 1 43 43 PRO HD3 H 1 3.797 0.001 . 1 . . . A 36 PRO HD3 . 25085 1 424 . 1 1 43 43 PRO C C 13 177.308 0.050 . 1 . . . A 36 PRO C . 25085 1 425 . 1 1 43 43 PRO CA C 13 66.191 0.017 . 1 . . . A 36 PRO CA . 25085 1 426 . 1 1 43 43 PRO CB C 13 31.701 0.045 . 1 . . . A 36 PRO CB . 25085 1 427 . 1 1 43 43 PRO CG C 13 27.805 0.050 . 1 . . . A 36 PRO CG . 25085 1 428 . 1 1 43 43 PRO CD C 13 51.669 0.029 . 1 . . . A 36 PRO CD . 25085 1 429 . 1 1 44 44 GLU H H 1 8.625 0.007 . 1 . . . A 37 GLU H . 25085 1 430 . 1 1 44 44 GLU HA H 1 4.083 0.005 . 1 . . . A 37 GLU HA . 25085 1 431 . 1 1 44 44 GLU HB2 H 1 2.163 0.008 . 1 . . . A 37 GLU HB2 . 25085 1 432 . 1 1 44 44 GLU HB3 H 1 1.904 0.006 . 1 . . . A 37 GLU HB3 . 25085 1 433 . 1 1 44 44 GLU HG2 H 1 2.328 0.009 . 1 . . . A 37 GLU HG2 . 25085 1 434 . 1 1 44 44 GLU HG3 H 1 2.208 0.013 . 1 . . . A 37 GLU HG3 . 25085 1 435 . 1 1 44 44 GLU C C 13 176.274 0.050 . 1 . . . A 37 GLU C . 25085 1 436 . 1 1 44 44 GLU CA C 13 58.285 0.034 . 1 . . . A 37 GLU CA . 25085 1 437 . 1 1 44 44 GLU CB C 13 28.895 0.027 . 1 . . . A 37 GLU CB . 25085 1 438 . 1 1 44 44 GLU CG C 13 37.611 0.064 . 1 . . . A 37 GLU CG . 25085 1 439 . 1 1 44 44 GLU N N 15 113.735 0.014 . 1 . . . A 37 GLU N . 25085 1 440 . 1 1 45 45 ALA H H 1 8.160 0.006 . 1 . . . A 38 ALA H . 25085 1 441 . 1 1 45 45 ALA HA H 1 4.484 0.008 . 1 . . . A 38 ALA HA . 25085 1 442 . 1 1 45 45 ALA HB1 H 1 1.590 0.003 . 1 . . . A 38 ALA HB1 . 25085 1 443 . 1 1 45 45 ALA HB2 H 1 1.590 0.003 . 1 . . . A 38 ALA HB2 . 25085 1 444 . 1 1 45 45 ALA HB3 H 1 1.590 0.003 . 1 . . . A 38 ALA HB3 . 25085 1 445 . 1 1 45 45 ALA C C 13 178.043 0.050 . 1 . . . A 38 ALA C . 25085 1 446 . 1 1 45 45 ALA CA C 13 52.385 0.016 . 1 . . . A 38 ALA CA . 25085 1 447 . 1 1 45 45 ALA CB C 13 21.151 0.033 . 1 . . . A 38 ALA CB . 25085 1 448 . 1 1 45 45 ALA N N 15 122.325 0.023 . 1 . . . A 38 ALA N . 25085 1 449 . 1 1 46 46 ASP H H 1 9.095 0.007 . 1 . . . A 39 ASP H . 25085 1 450 . 1 1 46 46 ASP HA H 1 4.856 0.007 . 1 . . . A 39 ASP HA . 25085 1 451 . 1 1 46 46 ASP HB2 H 1 2.409 0.001 . 1 . . . A 39 ASP HB2 . 25085 1 452 . 1 1 46 46 ASP HB3 H 1 2.355 0.004 . 1 . . . A 39 ASP HB3 . 25085 1 453 . 1 1 46 46 ASP C C 13 174.077 0.050 . 1 . . . A 39 ASP C . 25085 1 454 . 1 1 46 46 ASP CA C 13 53.498 0.024 . 1 . . . A 39 ASP CA . 25085 1 455 . 1 1 46 46 ASP CB C 13 45.176 0.056 . 1 . . . A 39 ASP CB . 25085 1 456 . 1 1 46 46 ASP N N 15 123.726 0.031 . 1 . . . A 39 ASP N . 25085 1 457 . 1 1 47 47 LEU H H 1 8.199 0.007 . 1 . . . A 40 LEU H . 25085 1 458 . 1 1 47 47 LEU HA H 1 4.339 0.006 . 1 . . . A 40 LEU HA . 25085 1 459 . 1 1 47 47 LEU HB2 H 1 1.129 0.009 . 1 . . . A 40 LEU HB2 . 25085 1 460 . 1 1 47 47 LEU HB3 H 1 -0.326 0.014 . 1 . . . A 40 LEU HB3 . 25085 1 461 . 1 1 47 47 LEU HG H 1 1.041 0.002 . 1 . . . A 40 LEU HG . 25085 1 462 . 1 1 47 47 LEU HD11 H 1 0.509 0.007 . 1 . . . A 40 LEU HD11 . 25085 1 463 . 1 1 47 47 LEU HD12 H 1 0.509 0.007 . 1 . . . A 40 LEU HD12 . 25085 1 464 . 1 1 47 47 LEU HD13 H 1 0.509 0.007 . 1 . . . A 40 LEU HD13 . 25085 1 465 . 1 1 47 47 LEU HD21 H 1 0.438 0.009 . 1 . . . A 40 LEU HD21 . 25085 1 466 . 1 1 47 47 LEU HD22 H 1 0.438 0.009 . 1 . . . A 40 LEU HD22 . 25085 1 467 . 1 1 47 47 LEU HD23 H 1 0.438 0.009 . 1 . . . A 40 LEU HD23 . 25085 1 468 . 1 1 47 47 LEU C C 13 176.159 0.050 . 1 . . . A 40 LEU C . 25085 1 469 . 1 1 47 47 LEU CA C 13 54.766 0.036 . 1 . . . A 40 LEU CA . 25085 1 470 . 1 1 47 47 LEU CB C 13 41.988 0.049 . 1 . . . A 40 LEU CB . 25085 1 471 . 1 1 47 47 LEU CG C 13 27.791 0.050 . 1 . . . A 40 LEU CG . 25085 1 472 . 1 1 47 47 LEU CD1 C 13 21.400 0.050 . 1 . . . A 40 LEU CD1 . 25085 1 473 . 1 1 47 47 LEU CD2 C 13 25.726 0.050 . 1 . . . A 40 LEU CD2 . 25085 1 474 . 1 1 47 47 LEU N N 15 123.111 0.050 . 1 . . . A 40 LEU N . 25085 1 475 . 1 1 48 48 ALA H H 1 8.705 0.005 . 1 . . . A 41 ALA H . 25085 1 476 . 1 1 48 48 ALA HA H 1 4.430 0.004 . 1 . . . A 41 ALA HA . 25085 1 477 . 1 1 48 48 ALA HB1 H 1 1.006 0.008 . 1 . . . A 41 ALA HB1 . 25085 1 478 . 1 1 48 48 ALA HB2 H 1 1.006 0.008 . 1 . . . A 41 ALA HB2 . 25085 1 479 . 1 1 48 48 ALA HB3 H 1 1.006 0.008 . 1 . . . A 41 ALA HB3 . 25085 1 480 . 1 1 48 48 ALA CA C 13 49.844 0.028 . 1 . . . A 41 ALA CA . 25085 1 481 . 1 1 48 48 ALA CB C 13 18.765 0.050 . 1 . . . A 41 ALA CB . 25085 1 482 . 1 1 48 48 ALA N N 15 130.678 0.042 . 1 . . . A 41 ALA N . 25085 1 483 . 1 1 49 49 PRO HA H 1 4.133 0.004 . 1 . . . A 42 PRO HA . 25085 1 484 . 1 1 49 49 PRO HB2 H 1 2.399 0.003 . 1 . . . A 42 PRO HB2 . 25085 1 485 . 1 1 49 49 PRO HB3 H 1 1.655 0.006 . 1 . . . A 42 PRO HB3 . 25085 1 486 . 1 1 49 49 PRO HG2 H 1 2.068 0.007 . 1 . . . A 42 PRO HG2 . 25085 1 487 . 1 1 49 49 PRO HG3 H 1 2.208 0.008 . 1 . . . A 42 PRO HG3 . 25085 1 488 . 1 1 49 49 PRO HD2 H 1 3.455 0.005 . 1 . . . A 42 PRO HD2 . 25085 1 489 . 1 1 49 49 PRO HD3 H 1 3.292 0.006 . 1 . . . A 42 PRO HD3 . 25085 1 490 . 1 1 49 49 PRO C C 13 178.946 0.050 . 1 . . . A 42 PRO C . 25085 1 491 . 1 1 49 49 PRO CA C 13 62.119 0.017 . 1 . . . A 42 PRO CA . 25085 1 492 . 1 1 49 49 PRO CB C 13 33.383 0.066 . 1 . . . A 42 PRO CB . 25085 1 493 . 1 1 49 49 PRO CG C 13 27.337 0.050 . 1 . . . A 42 PRO CG . 25085 1 494 . 1 1 49 49 PRO CD C 13 50.408 0.031 . 1 . . . A 42 PRO CD . 25085 1 495 . 1 1 50 50 LEU H H 1 8.330 0.005 . 1 . . . A 43 LEU H . 25085 1 496 . 1 1 50 50 LEU HA H 1 3.881 0.009 . 1 . . . A 43 LEU HA . 25085 1 497 . 1 1 50 50 LEU HB2 H 1 1.897 0.005 . 1 . . . A 43 LEU HB2 . 25085 1 498 . 1 1 50 50 LEU HB3 H 1 1.406 0.010 . 1 . . . A 43 LEU HB3 . 25085 1 499 . 1 1 50 50 LEU HG H 1 1.647 0.006 . 1 . . . A 43 LEU HG . 25085 1 500 . 1 1 50 50 LEU HD11 H 1 0.693 0.007 . 1 . . . A 43 LEU HD11 . 25085 1 501 . 1 1 50 50 LEU HD12 H 1 0.693 0.007 . 1 . . . A 43 LEU HD12 . 25085 1 502 . 1 1 50 50 LEU HD13 H 1 0.693 0.007 . 1 . . . A 43 LEU HD13 . 25085 1 503 . 1 1 50 50 LEU HD21 H 1 0.735 0.013 . 1 . . . A 43 LEU HD21 . 25085 1 504 . 1 1 50 50 LEU HD22 H 1 0.735 0.013 . 1 . . . A 43 LEU HD22 . 25085 1 505 . 1 1 50 50 LEU HD23 H 1 0.735 0.013 . 1 . . . A 43 LEU HD23 . 25085 1 506 . 1 1 50 50 LEU C C 13 176.869 0.050 . 1 . . . A 43 LEU C . 25085 1 507 . 1 1 50 50 LEU CA C 13 58.639 0.017 . 1 . . . A 43 LEU CA . 25085 1 508 . 1 1 50 50 LEU CB C 13 41.848 0.072 . 1 . . . A 43 LEU CB . 25085 1 509 . 1 1 50 50 LEU CG C 13 26.107 0.050 . 1 . . . A 43 LEU CG . 25085 1 510 . 1 1 50 50 LEU CD1 C 13 22.730 0.050 . 1 . . . A 43 LEU CD1 . 25085 1 511 . 1 1 50 50 LEU CD2 C 13 22.730 0.050 . 1 . . . A 43 LEU CD2 . 25085 1 512 . 1 1 50 50 LEU N N 15 124.604 0.046 . 1 . . . A 43 LEU N . 25085 1 513 . 1 1 51 51 SER H H 1 8.553 0.006 . 1 . . . A 44 SER H . 25085 1 514 . 1 1 51 51 SER HA H 1 4.147 0.006 . 1 . . . A 44 SER HA . 25085 1 515 . 1 1 51 51 SER HB2 H 1 3.815 0.001 . 1 . . . A 44 SER HB2 . 25085 1 516 . 1 1 51 51 SER HB3 H 1 3.888 0.002 . 1 . . . A 44 SER HB3 . 25085 1 517 . 1 1 51 51 SER C C 13 177.107 0.050 . 1 . . . A 44 SER C . 25085 1 518 . 1 1 51 51 SER CA C 13 61.043 0.110 . 1 . . . A 44 SER CA . 25085 1 519 . 1 1 51 51 SER CB C 13 61.765 0.035 . 1 . . . A 44 SER CB . 25085 1 520 . 1 1 51 51 SER N N 15 110.167 0.015 . 1 . . . A 44 SER N . 25085 1 521 . 1 1 52 52 VAL H H 1 7.181 0.004 . 1 . . . A 45 VAL H . 25085 1 522 . 1 1 52 52 VAL HA H 1 3.825 0.005 . 1 . . . A 45 VAL HA . 25085 1 523 . 1 1 52 52 VAL HB H 1 2.184 0.008 . 1 . . . A 45 VAL HB . 25085 1 524 . 1 1 52 52 VAL HG11 H 1 0.972 0.004 . 1 . . . A 45 VAL HG11 . 25085 1 525 . 1 1 52 52 VAL HG12 H 1 0.972 0.004 . 1 . . . A 45 VAL HG12 . 25085 1 526 . 1 1 52 52 VAL HG13 H 1 0.972 0.004 . 1 . . . A 45 VAL HG13 . 25085 1 527 . 1 1 52 52 VAL HG21 H 1 0.912 0.007 . 1 . . . A 45 VAL HG21 . 25085 1 528 . 1 1 52 52 VAL HG22 H 1 0.912 0.007 . 1 . . . A 45 VAL HG22 . 25085 1 529 . 1 1 52 52 VAL HG23 H 1 0.912 0.007 . 1 . . . A 45 VAL HG23 . 25085 1 530 . 1 1 52 52 VAL C C 13 178.328 0.050 . 1 . . . A 45 VAL C . 25085 1 531 . 1 1 52 52 VAL CA C 13 65.576 0.011 . 1 . . . A 45 VAL CA . 25085 1 532 . 1 1 52 52 VAL CB C 13 31.889 0.027 . 1 . . . A 45 VAL CB . 25085 1 533 . 1 1 52 52 VAL CG1 C 13 22.205 0.050 . 1 . . . A 45 VAL CG1 . 25085 1 534 . 1 1 52 52 VAL CG2 C 13 20.266 0.050 . 1 . . . A 45 VAL CG2 . 25085 1 535 . 1 1 52 52 VAL N N 15 123.549 0.027 . 1 . . . A 45 VAL N . 25085 1 536 . 1 1 53 53 LEU H H 1 8.040 0.005 . 1 . . . A 46 LEU H . 25085 1 537 . 1 1 53 53 LEU HA H 1 3.826 0.004 . 1 . . . A 46 LEU HA . 25085 1 538 . 1 1 53 53 LEU HB2 H 1 2.009 0.006 . 1 . . . A 46 LEU HB2 . 25085 1 539 . 1 1 53 53 LEU HB3 H 1 1.178 0.009 . 1 . . . A 46 LEU HB3 . 25085 1 540 . 1 1 53 53 LEU HG H 1 1.614 0.008 . 1 . . . A 46 LEU HG . 25085 1 541 . 1 1 53 53 LEU HD11 H 1 0.757 0.001 . 1 . . . A 46 LEU HD11 . 25085 1 542 . 1 1 53 53 LEU HD12 H 1 0.757 0.001 . 1 . . . A 46 LEU HD12 . 25085 1 543 . 1 1 53 53 LEU HD13 H 1 0.757 0.001 . 1 . . . A 46 LEU HD13 . 25085 1 544 . 1 1 53 53 LEU HD21 H 1 0.713 0.004 . 1 . . . A 46 LEU HD21 . 25085 1 545 . 1 1 53 53 LEU HD22 H 1 0.713 0.004 . 1 . . . A 46 LEU HD22 . 25085 1 546 . 1 1 53 53 LEU HD23 H 1 0.713 0.004 . 1 . . . A 46 LEU HD23 . 25085 1 547 . 1 1 53 53 LEU C C 13 179.996 0.050 . 1 . . . A 46 LEU C . 25085 1 548 . 1 1 53 53 LEU CA C 13 57.602 0.019 . 1 . . . A 46 LEU CA . 25085 1 549 . 1 1 53 53 LEU CB C 13 41.691 0.028 . 1 . . . A 46 LEU CB . 25085 1 550 . 1 1 53 53 LEU CD1 C 13 26.581 0.050 . 1 . . . A 46 LEU CD1 . 25085 1 551 . 1 1 53 53 LEU CD2 C 13 23.612 0.050 . 1 . . . A 46 LEU CD2 . 25085 1 552 . 1 1 53 53 LEU N N 15 120.336 0.016 . 1 . . . A 46 LEU N . 25085 1 553 . 1 1 54 54 GLU H H 1 8.567 0.005 . 1 . . . A 47 GLU H . 25085 1 554 . 1 1 54 54 GLU HA H 1 3.820 0.005 . 1 . . . A 47 GLU HA . 25085 1 555 . 1 1 54 54 GLU HB2 H 1 1.948 0.009 . 1 . . . A 47 GLU HB2 . 25085 1 556 . 1 1 54 54 GLU HB3 H 1 2.028 0.009 . 1 . . . A 47 GLU HB3 . 25085 1 557 . 1 1 54 54 GLU HG2 H 1 2.353 0.002 . 1 . . . A 47 GLU HG2 . 25085 1 558 . 1 1 54 54 GLU HG3 H 1 1.958 0.002 . 1 . . . A 47 GLU HG3 . 25085 1 559 . 1 1 54 54 GLU C C 13 177.029 0.050 . 1 . . . A 47 GLU C . 25085 1 560 . 1 1 54 54 GLU CA C 13 59.317 0.030 . 1 . . . A 47 GLU CA . 25085 1 561 . 1 1 54 54 GLU CB C 13 30.526 0.063 . 1 . . . A 47 GLU CB . 25085 1 562 . 1 1 54 54 GLU CG C 13 37.493 0.038 . 1 . . . A 47 GLU CG . 25085 1 563 . 1 1 54 54 GLU N N 15 115.713 0.014 . 1 . . . A 47 GLU N . 25085 1 564 . 1 1 55 55 GLN H H 1 7.472 0.006 . 1 . . . A 48 GLN H . 25085 1 565 . 1 1 55 55 GLN HA H 1 4.281 0.008 . 1 . . . A 48 GLN HA . 25085 1 566 . 1 1 55 55 GLN HB2 H 1 2.157 0.004 . 1 . . . A 48 GLN HB2 . 25085 1 567 . 1 1 55 55 GLN HB3 H 1 2.157 0.004 . 1 . . . A 48 GLN HB3 . 25085 1 568 . 1 1 55 55 GLN HG2 H 1 2.499 0.004 . 1 . . . A 48 GLN HG2 . 25085 1 569 . 1 1 55 55 GLN HG3 H 1 2.375 0.004 . 1 . . . A 48 GLN HG3 . 25085 1 570 . 1 1 55 55 GLN C C 13 177.605 0.050 . 1 . . . A 48 GLN C . 25085 1 571 . 1 1 55 55 GLN CA C 13 57.827 0.032 . 1 . . . A 48 GLN CA . 25085 1 572 . 1 1 55 55 GLN CB C 13 29.985 0.078 . 1 . . . A 48 GLN CB . 25085 1 573 . 1 1 55 55 GLN CG C 13 33.874 0.025 . 1 . . . A 48 GLN CG . 25085 1 574 . 1 1 55 55 GLN N N 15 116.740 0.016 . 1 . . . A 48 GLN N . 25085 1 575 . 1 1 56 56 SER H H 1 8.657 0.008 . 1 . . . A 49 SER H . 25085 1 576 . 1 1 56 56 SER HA H 1 4.648 0.003 . 1 . . . A 49 SER HA . 25085 1 577 . 1 1 56 56 SER HB2 H 1 3.929 0.010 . 1 . . . A 49 SER HB2 . 25085 1 578 . 1 1 56 56 SER HB3 H 1 3.779 0.003 . 1 . . . A 49 SER HB3 . 25085 1 579 . 1 1 56 56 SER C C 13 174.859 0.050 . 1 . . . A 49 SER C . 25085 1 580 . 1 1 56 56 SER CA C 13 58.406 0.030 . 1 . . . A 49 SER CA . 25085 1 581 . 1 1 56 56 SER CB C 13 64.758 0.040 . 1 . . . A 49 SER CB . 25085 1 582 . 1 1 56 56 SER N N 15 111.004 0.012 . 1 . . . A 49 SER N . 25085 1 583 . 1 1 57 57 GLY H H 1 7.846 0.008 . 1 . . . A 50 GLY H . 25085 1 584 . 1 1 57 57 GLY HA2 H 1 4.232 0.006 . 1 . . . A 50 GLY HA2 . 25085 1 585 . 1 1 57 57 GLY HA3 H 1 3.841 0.005 . 1 . . . A 50 GLY HA3 . 25085 1 586 . 1 1 57 57 GLY C C 13 172.398 0.050 . 1 . . . A 50 GLY C . 25085 1 587 . 1 1 57 57 GLY CA C 13 44.444 0.023 . 1 . . . A 50 GLY CA . 25085 1 588 . 1 1 57 57 GLY N N 15 110.839 0.011 . 1 . . . A 50 GLY N . 25085 1 589 . 1 1 58 58 LEU H H 1 8.647 0.006 . 1 . . . A 51 LEU H . 25085 1 590 . 1 1 58 58 LEU HA H 1 4.244 0.009 . 1 . . . A 51 LEU HA . 25085 1 591 . 1 1 58 58 LEU HB2 H 1 1.677 0.007 . 1 . . . A 51 LEU HB2 . 25085 1 592 . 1 1 58 58 LEU HB3 H 1 1.232 0.005 . 1 . . . A 51 LEU HB3 . 25085 1 593 . 1 1 58 58 LEU HG H 1 1.544 0.006 . 1 . . . A 51 LEU HG . 25085 1 594 . 1 1 58 58 LEU HD11 H 1 0.791 0.005 . 1 . . . A 51 LEU HD11 . 25085 1 595 . 1 1 58 58 LEU HD12 H 1 0.791 0.005 . 1 . . . A 51 LEU HD12 . 25085 1 596 . 1 1 58 58 LEU HD13 H 1 0.791 0.005 . 1 . . . A 51 LEU HD13 . 25085 1 597 . 1 1 58 58 LEU HD21 H 1 0.872 0.007 . 1 . . . A 51 LEU HD21 . 25085 1 598 . 1 1 58 58 LEU HD22 H 1 0.872 0.007 . 1 . . . A 51 LEU HD22 . 25085 1 599 . 1 1 58 58 LEU HD23 H 1 0.872 0.007 . 1 . . . A 51 LEU HD23 . 25085 1 600 . 1 1 58 58 LEU CA C 13 52.593 0.012 . 1 . . . A 51 LEU CA . 25085 1 601 . 1 1 58 58 LEU CB C 13 43.381 0.019 . 1 . . . A 51 LEU CB . 25085 1 602 . 1 1 58 58 LEU N N 15 121.009 0.012 . 1 . . . A 51 LEU N . 25085 1 603 . 1 1 59 59 PRO HA H 1 4.349 0.013 . 1 . . . A 52 PRO HA . 25085 1 604 . 1 1 59 59 PRO HB2 H 1 2.408 0.008 . 1 . . . A 52 PRO HB2 . 25085 1 605 . 1 1 59 59 PRO HB3 H 1 1.719 0.011 . 1 . . . A 52 PRO HB3 . 25085 1 606 . 1 1 59 59 PRO HG2 H 1 2.017 0.004 . 1 . . . A 52 PRO HG2 . 25085 1 607 . 1 1 59 59 PRO HG3 H 1 2.017 0.004 . 1 . . . A 52 PRO HG3 . 25085 1 608 . 1 1 59 59 PRO HD2 H 1 3.369 0.002 . 1 . . . A 52 PRO HD2 . 25085 1 609 . 1 1 59 59 PRO HD3 H 1 4.096 0.002 . 1 . . . A 52 PRO HD3 . 25085 1 610 . 1 1 59 59 PRO C C 13 177.247 0.050 . 1 . . . A 52 PRO C . 25085 1 611 . 1 1 59 59 PRO CA C 13 62.980 0.011 . 1 . . . A 52 PRO CA . 25085 1 612 . 1 1 59 59 PRO CB C 13 32.423 0.049 . 1 . . . A 52 PRO CB . 25085 1 613 . 1 1 59 59 PRO CG C 13 27.417 0.050 . 1 . . . A 52 PRO CG . 25085 1 614 . 1 1 59 59 PRO CD C 13 50.875 0.015 . 1 . . . A 52 PRO CD . 25085 1 615 . 1 1 60 60 ALA H H 1 8.643 0.007 . 1 . . . A 53 ALA H . 25085 1 616 . 1 1 60 60 ALA HA H 1 3.870 0.004 . 1 . . . A 53 ALA HA . 25085 1 617 . 1 1 60 60 ALA HB1 H 1 1.426 0.005 . 1 . . . A 53 ALA HB1 . 25085 1 618 . 1 1 60 60 ALA HB2 H 1 1.426 0.005 . 1 . . . A 53 ALA HB2 . 25085 1 619 . 1 1 60 60 ALA HB3 H 1 1.426 0.005 . 1 . . . A 53 ALA HB3 . 25085 1 620 . 1 1 60 60 ALA C C 13 180.484 0.050 . 1 . . . A 53 ALA C . 25085 1 621 . 1 1 60 60 ALA CA C 13 55.829 0.085 . 1 . . . A 53 ALA CA . 25085 1 622 . 1 1 60 60 ALA CB C 13 18.248 0.045 . 1 . . . A 53 ALA CB . 25085 1 623 . 1 1 60 60 ALA N N 15 126.595 0.022 . 1 . . . A 53 ALA N . 25085 1 624 . 1 1 61 61 LYS H H 1 8.442 0.007 . 1 . . . A 54 LYS H . 25085 1 625 . 1 1 61 61 LYS HA H 1 4.167 0.005 . 1 . . . A 54 LYS HA . 25085 1 626 . 1 1 61 61 LYS HB2 H 1 1.871 0.008 . 1 . . . A 54 LYS HB2 . 25085 1 627 . 1 1 61 61 LYS HB3 H 1 1.769 0.008 . 1 . . . A 54 LYS HB3 . 25085 1 628 . 1 1 61 61 LYS HG2 H 1 1.399 0.012 . 1 . . . A 54 LYS HG2 . 25085 1 629 . 1 1 61 61 LYS HG3 H 1 1.280 0.006 . 1 . . . A 54 LYS HG3 . 25085 1 630 . 1 1 61 61 LYS HD2 H 1 1.819 0.003 . 1 . . . A 54 LYS HD2 . 25085 1 631 . 1 1 61 61 LYS HD3 H 1 1.658 0.012 . 1 . . . A 54 LYS HD3 . 25085 1 632 . 1 1 61 61 LYS HE2 H 1 2.916 0.007 . 1 . . . A 54 LYS HE2 . 25085 1 633 . 1 1 61 61 LYS HE3 H 1 2.916 0.007 . 1 . . . A 54 LYS HE3 . 25085 1 634 . 1 1 61 61 LYS C C 13 176.704 0.050 . 1 . . . A 54 LYS C . 25085 1 635 . 1 1 61 61 LYS CA C 13 57.893 0.018 . 1 . . . A 54 LYS CA . 25085 1 636 . 1 1 61 61 LYS CB C 13 31.892 0.036 . 1 . . . A 54 LYS CB . 25085 1 637 . 1 1 61 61 LYS CG C 13 24.785 0.050 . 1 . . . A 54 LYS CG . 25085 1 638 . 1 1 61 61 LYS CD C 13 29.228 0.050 . 1 . . . A 54 LYS CD . 25085 1 639 . 1 1 61 61 LYS CE C 13 41.875 0.089 . 1 . . . A 54 LYS CE . 25085 1 640 . 1 1 61 61 LYS N N 15 113.898 0.016 . 1 . . . A 54 LYS N . 25085 1 641 . 1 1 62 62 LEU H H 1 7.805 0.005 . 1 . . . A 55 LEU H . 25085 1 642 . 1 1 62 62 LEU HA H 1 4.308 0.004 . 1 . . . A 55 LEU HA . 25085 1 643 . 1 1 62 62 LEU HB2 H 1 1.715 0.011 . 1 . . . A 55 LEU HB2 . 25085 1 644 . 1 1 62 62 LEU HB3 H 1 1.524 0.014 . 1 . . . A 55 LEU HB3 . 25085 1 645 . 1 1 62 62 LEU HG H 1 1.452 0.012 . 1 . . . A 55 LEU HG . 25085 1 646 . 1 1 62 62 LEU HD11 H 1 0.783 0.005 . 1 . . . A 55 LEU HD11 . 25085 1 647 . 1 1 62 62 LEU HD12 H 1 0.783 0.005 . 1 . . . A 55 LEU HD12 . 25085 1 648 . 1 1 62 62 LEU HD13 H 1 0.783 0.005 . 1 . . . A 55 LEU HD13 . 25085 1 649 . 1 1 62 62 LEU HD21 H 1 0.710 0.007 . 1 . . . A 55 LEU HD21 . 25085 1 650 . 1 1 62 62 LEU HD22 H 1 0.710 0.007 . 1 . . . A 55 LEU HD22 . 25085 1 651 . 1 1 62 62 LEU HD23 H 1 0.710 0.007 . 1 . . . A 55 LEU HD23 . 25085 1 652 . 1 1 62 62 LEU C C 13 174.589 0.050 . 1 . . . A 55 LEU C . 25085 1 653 . 1 1 62 62 LEU CA C 13 54.003 0.026 . 1 . . . A 55 LEU CA . 25085 1 654 . 1 1 62 62 LEU CB C 13 41.649 0.044 . 1 . . . A 55 LEU CB . 25085 1 655 . 1 1 62 62 LEU CG C 13 27.424 0.050 . 1 . . . A 55 LEU CG . 25085 1 656 . 1 1 62 62 LEU CD1 C 13 25.165 0.050 . 1 . . . A 55 LEU CD1 . 25085 1 657 . 1 1 62 62 LEU CD2 C 13 22.953 0.050 . 1 . . . A 55 LEU CD2 . 25085 1 658 . 1 1 62 62 LEU N N 15 117.932 0.022 . 1 . . . A 55 LEU N . 25085 1 659 . 1 1 63 63 ARG H H 1 6.971 0.007 . 1 . . . A 56 ARG H . 25085 1 660 . 1 1 63 63 ARG HA H 1 4.006 0.005 . 1 . . . A 56 ARG HA . 25085 1 661 . 1 1 63 63 ARG HB2 H 1 1.732 0.003 . 1 . . . A 56 ARG HB2 . 25085 1 662 . 1 1 63 63 ARG HB3 H 1 1.769 0.005 . 1 . . . A 56 ARG HB3 . 25085 1 663 . 1 1 63 63 ARG HG2 H 1 1.700 0.005 . 1 . . . A 56 ARG HG2 . 25085 1 664 . 1 1 63 63 ARG HG3 H 1 1.485 0.005 . 1 . . . A 56 ARG HG3 . 25085 1 665 . 1 1 63 63 ARG HD2 H 1 3.122 0.004 . 1 . . . A 56 ARG HD2 . 25085 1 666 . 1 1 63 63 ARG HD3 H 1 3.196 0.002 . 1 . . . A 56 ARG HD3 . 25085 1 667 . 1 1 63 63 ARG C C 13 175.542 0.050 . 1 . . . A 56 ARG C . 25085 1 668 . 1 1 63 63 ARG CA C 13 57.428 0.018 . 1 . . . A 56 ARG CA . 25085 1 669 . 1 1 63 63 ARG CB C 13 29.651 0.025 . 1 . . . A 56 ARG CB . 25085 1 670 . 1 1 63 63 ARG CG C 13 27.816 0.050 . 1 . . . A 56 ARG CG . 25085 1 671 . 1 1 63 63 ARG CD C 13 43.533 0.050 . 1 . . . A 56 ARG CD . 25085 1 672 . 1 1 63 63 ARG N N 15 116.873 0.029 . 1 . . . A 56 ARG N . 25085 1 673 . 1 1 64 64 HIS H H 1 7.281 0.007 . 1 . . . A 57 HIS H . 25085 1 674 . 1 1 64 64 HIS HA H 1 4.596 0.006 . 1 . . . A 57 HIS HA . 25085 1 675 . 1 1 64 64 HIS HB2 H 1 2.878 0.006 . 1 . . . A 57 HIS HB2 . 25085 1 676 . 1 1 64 64 HIS HB3 H 1 2.998 0.015 . 1 . . . A 57 HIS HB3 . 25085 1 677 . 1 1 64 64 HIS C C 13 173.855 0.050 . 1 . . . A 57 HIS C . 25085 1 678 . 1 1 64 64 HIS CA C 13 55.780 0.027 . 1 . . . A 57 HIS CA . 25085 1 679 . 1 1 64 64 HIS CB C 13 33.878 0.102 . 1 . . . A 57 HIS CB . 25085 1 680 . 1 1 64 64 HIS N N 15 122.622 0.055 . 1 . . . A 57 HIS N . 25085 1 681 . 1 1 65 65 GLU H H 1 7.626 0.036 . 1 . . . A 58 GLU H . 25085 1 682 . 1 1 65 65 GLU HA H 1 4.052 0.006 . 1 . . . A 58 GLU HA . 25085 1 683 . 1 1 65 65 GLU HB2 H 1 2.033 0.006 . 1 . . . A 58 GLU HB2 . 25085 1 684 . 1 1 65 65 GLU HB3 H 1 1.884 0.005 . 1 . . . A 58 GLU HB3 . 25085 1 685 . 1 1 65 65 GLU HG2 H 1 2.230 0.013 . 1 . . . A 58 GLU HG2 . 25085 1 686 . 1 1 65 65 GLU HG3 H 1 2.230 0.013 . 1 . . . A 58 GLU HG3 . 25085 1 687 . 1 1 65 65 GLU C C 13 176.762 0.050 . 1 . . . A 58 GLU C . 25085 1 688 . 1 1 65 65 GLU CA C 13 59.634 0.037 . 1 . . . A 58 GLU CA . 25085 1 689 . 1 1 65 65 GLU CB C 13 29.931 0.042 . 1 . . . A 58 GLU CB . 25085 1 690 . 1 1 65 65 GLU CG C 13 36.959 0.089 . 1 . . . A 58 GLU CG . 25085 1 691 . 1 1 65 65 GLU N N 15 120.479 0.038 . 1 . . . A 58 GLU N . 25085 1 692 . 1 1 66 66 GLN H H 1 8.560 0.020 . 1 . . . A 59 GLN H . 25085 1 693 . 1 1 66 66 GLN HA H 1 5.479 0.007 . 1 . . . A 59 GLN HA . 25085 1 694 . 1 1 66 66 GLN HB2 H 1 2.184 0.012 . 1 . . . A 59 GLN HB2 . 25085 1 695 . 1 1 66 66 GLN HB3 H 1 1.747 0.006 . 1 . . . A 59 GLN HB3 . 25085 1 696 . 1 1 66 66 GLN HG2 H 1 2.519 0.006 . 1 . . . A 59 GLN HG2 . 25085 1 697 . 1 1 66 66 GLN HG3 H 1 2.374 0.005 . 1 . . . A 59 GLN HG3 . 25085 1 698 . 1 1 66 66 GLN C C 13 174.322 0.050 . 1 . . . A 59 GLN C . 25085 1 699 . 1 1 66 66 GLN CA C 13 55.486 0.011 . 1 . . . A 59 GLN CA . 25085 1 700 . 1 1 66 66 GLN CB C 13 33.151 0.050 . 1 . . . A 59 GLN CB . 25085 1 701 . 1 1 66 66 GLN CG C 13 34.848 0.033 . 1 . . . A 59 GLN CG . 25085 1 702 . 1 1 66 66 GLN N N 15 118.110 0.085 . 1 . . . A 59 GLN N . 25085 1 703 . 1 1 67 67 ILE H H 1 8.735 0.008 . 1 . . . A 60 ILE H . 25085 1 704 . 1 1 67 67 ILE HA H 1 4.531 0.005 . 1 . . . A 60 ILE HA . 25085 1 705 . 1 1 67 67 ILE HB H 1 1.223 0.006 . 1 . . . A 60 ILE HB . 25085 1 706 . 1 1 67 67 ILE HG12 H 1 1.423 0.007 . 1 . . . A 60 ILE HG12 . 25085 1 707 . 1 1 67 67 ILE HG13 H 1 0.833 0.010 . 1 . . . A 60 ILE HG13 . 25085 1 708 . 1 1 67 67 ILE HG21 H 1 -0.056 0.004 . 1 . . . A 60 ILE HG21 . 25085 1 709 . 1 1 67 67 ILE HG22 H 1 -0.056 0.004 . 1 . . . A 60 ILE HG22 . 25085 1 710 . 1 1 67 67 ILE HG23 H 1 -0.056 0.004 . 1 . . . A 60 ILE HG23 . 25085 1 711 . 1 1 67 67 ILE HD11 H 1 0.832 0.007 . 1 . . . A 60 ILE HD11 . 25085 1 712 . 1 1 67 67 ILE HD12 H 1 0.832 0.007 . 1 . . . A 60 ILE HD12 . 25085 1 713 . 1 1 67 67 ILE HD13 H 1 0.832 0.007 . 1 . . . A 60 ILE HD13 . 25085 1 714 . 1 1 67 67 ILE C C 13 173.352 0.050 . 1 . . . A 60 ILE C . 25085 1 715 . 1 1 67 67 ILE CA C 13 59.794 0.048 . 1 . . . A 60 ILE CA . 25085 1 716 . 1 1 67 67 ILE CB C 13 43.188 0.071 . 1 . . . A 60 ILE CB . 25085 1 717 . 1 1 67 67 ILE CG1 C 13 27.857 0.050 . 1 . . . A 60 ILE CG1 . 25085 1 718 . 1 1 67 67 ILE CG2 C 13 17.131 0.050 . 1 . . . A 60 ILE CG2 . 25085 1 719 . 1 1 67 67 ILE CD1 C 13 14.985 0.050 . 1 . . . A 60 ILE CD1 . 25085 1 720 . 1 1 67 67 ILE N N 15 122.789 0.012 . 1 . . . A 60 ILE N . 25085 1 721 . 1 1 68 68 ILE H H 1 9.057 0.006 . 1 . . . A 61 ILE H . 25085 1 722 . 1 1 68 68 ILE HA H 1 5.002 0.013 . 1 . . . A 61 ILE HA . 25085 1 723 . 1 1 68 68 ILE HB H 1 1.688 0.009 . 1 . . . A 61 ILE HB . 25085 1 724 . 1 1 68 68 ILE HG12 H 1 1.460 0.010 . 1 . . . A 61 ILE HG12 . 25085 1 725 . 1 1 68 68 ILE HG13 H 1 0.704 0.014 . 1 . . . A 61 ILE HG13 . 25085 1 726 . 1 1 68 68 ILE HG21 H 1 0.649 0.010 . 1 . . . A 61 ILE HG21 . 25085 1 727 . 1 1 68 68 ILE HG22 H 1 0.649 0.010 . 1 . . . A 61 ILE HG22 . 25085 1 728 . 1 1 68 68 ILE HG23 H 1 0.649 0.010 . 1 . . . A 61 ILE HG23 . 25085 1 729 . 1 1 68 68 ILE HD11 H 1 0.641 0.007 . 1 . . . A 61 ILE HD11 . 25085 1 730 . 1 1 68 68 ILE HD12 H 1 0.641 0.007 . 1 . . . A 61 ILE HD12 . 25085 1 731 . 1 1 68 68 ILE HD13 H 1 0.641 0.007 . 1 . . . A 61 ILE HD13 . 25085 1 732 . 1 1 68 68 ILE C C 13 175.195 0.050 . 1 . . . A 61 ILE C . 25085 1 733 . 1 1 68 68 ILE CA C 13 58.419 0.076 . 1 . . . A 61 ILE CA . 25085 1 734 . 1 1 68 68 ILE CB C 13 40.270 0.068 . 1 . . . A 61 ILE CB . 25085 1 735 . 1 1 68 68 ILE CG1 C 13 26.654 0.050 . 1 . . . A 61 ILE CG1 . 25085 1 736 . 1 1 68 68 ILE CG2 C 13 18.154 0.050 . 1 . . . A 61 ILE CG2 . 25085 1 737 . 1 1 68 68 ILE CD1 C 13 15.840 0.050 . 1 . . . A 61 ILE CD1 . 25085 1 738 . 1 1 68 68 ILE N N 15 125.871 0.013 . 1 . . . A 61 ILE N . 25085 1 739 . 1 1 69 69 PHE H H 1 8.977 0.005 . 1 . . . A 62 PHE H . 25085 1 740 . 1 1 69 69 PHE HA H 1 5.810 0.004 . 1 . . . A 62 PHE HA . 25085 1 741 . 1 1 69 69 PHE HB2 H 1 2.855 0.008 . 1 . . . A 62 PHE HB2 . 25085 1 742 . 1 1 69 69 PHE HB3 H 1 2.720 0.005 . 1 . . . A 62 PHE HB3 . 25085 1 743 . 1 1 69 69 PHE C C 13 176.135 0.050 . 1 . . . A 62 PHE C . 25085 1 744 . 1 1 69 69 PHE CA C 13 56.960 0.047 . 1 . . . A 62 PHE CA . 25085 1 745 . 1 1 69 69 PHE CB C 13 43.352 0.009 . 1 . . . A 62 PHE CB . 25085 1 746 . 1 1 69 69 PHE N N 15 123.742 0.022 . 1 . . . A 62 PHE N . 25085 1 747 . 1 1 70 70 HIS H H 1 9.298 0.006 . 1 . . . A 63 HIS H . 25085 1 748 . 1 1 70 70 HIS HA H 1 5.979 0.005 . 1 . . . A 63 HIS HA . 25085 1 749 . 1 1 70 70 HIS HB2 H 1 3.226 0.005 . 1 . . . A 63 HIS HB2 . 25085 1 750 . 1 1 70 70 HIS HB3 H 1 2.704 0.004 . 1 . . . A 63 HIS HB3 . 25085 1 751 . 1 1 70 70 HIS C C 13 171.108 0.050 . 1 . . . A 63 HIS C . 25085 1 752 . 1 1 70 70 HIS CA C 13 54.115 0.019 . 1 . . . A 63 HIS CA . 25085 1 753 . 1 1 70 70 HIS CB C 13 36.861 0.058 . 1 . . . A 63 HIS CB . 25085 1 754 . 1 1 70 70 HIS N N 15 116.939 0.028 . 1 . . . A 63 HIS N . 25085 1 755 . 1 1 71 71 CYS H H 1 8.156 0.006 . 1 . . . A 64 CYS H . 25085 1 756 . 1 1 71 71 CYS HA H 1 5.044 0.005 . 1 . . . A 64 CYS HA . 25085 1 757 . 1 1 71 71 CYS HB2 H 1 3.643 0.013 . 1 . . . A 64 CYS HB2 . 25085 1 758 . 1 1 71 71 CYS HB3 H 1 2.522 0.006 . 1 . . . A 64 CYS HB3 . 25085 1 759 . 1 1 71 71 CYS C C 13 177.438 0.050 . 1 . . . A 64 CYS C . 25085 1 760 . 1 1 71 71 CYS CA C 13 56.886 0.012 . 1 . . . A 64 CYS CA . 25085 1 761 . 1 1 71 71 CYS CB C 13 29.425 0.050 . 1 . . . A 64 CYS CB . 25085 1 762 . 1 1 71 71 CYS N N 15 119.251 0.021 . 1 . . . A 64 CYS N . 25085 1 763 . 1 1 72 72 GLN H H 1 8.937 0.013 . 1 . . . A 65 GLN H . 25085 1 764 . 1 1 72 72 GLN HA H 1 4.220 0.011 . 1 . . . A 65 GLN HA . 25085 1 765 . 1 1 72 72 GLN HB2 H 1 2.521 0.067 . 1 . . . A 65 GLN HB2 . 25085 1 766 . 1 1 72 72 GLN HB3 H 1 2.304 0.019 . 1 . . . A 65 GLN HB3 . 25085 1 767 . 1 1 72 72 GLN HG2 H 1 2.572 0.002 . 1 . . . A 65 GLN HG2 . 25085 1 768 . 1 1 72 72 GLN HG3 H 1 2.318 0.007 . 1 . . . A 65 GLN HG3 . 25085 1 769 . 1 1 72 72 GLN C C 13 174.440 0.050 . 1 . . . A 65 GLN C . 25085 1 770 . 1 1 72 72 GLN CA C 13 59.788 0.041 . 1 . . . A 65 GLN CA . 25085 1 771 . 1 1 72 72 GLN CB C 13 29.370 0.050 . 1 . . . A 65 GLN CB . 25085 1 772 . 1 1 72 72 GLN CG C 13 33.061 0.028 . 1 . . . A 65 GLN CG . 25085 1 773 . 1 1 72 72 GLN N N 15 125.627 0.047 . 1 . . . A 65 GLN N . 25085 1 774 . 1 1 73 73 ALA H H 1 9.024 0.005 . 1 . . . A 66 ALA H . 25085 1 775 . 1 1 73 73 ALA HA H 1 5.115 0.005 . 1 . . . A 66 ALA HA . 25085 1 776 . 1 1 73 73 ALA HB1 H 1 1.503 0.006 . 1 . . . A 66 ALA HB1 . 25085 1 777 . 1 1 73 73 ALA HB2 H 1 1.503 0.006 . 1 . . . A 66 ALA HB2 . 25085 1 778 . 1 1 73 73 ALA HB3 H 1 1.503 0.006 . 1 . . . A 66 ALA HB3 . 25085 1 779 . 1 1 73 73 ALA C C 13 177.625 0.050 . 1 . . . A 66 ALA C . 25085 1 780 . 1 1 73 73 ALA CA C 13 50.744 0.012 . 1 . . . A 66 ALA CA . 25085 1 781 . 1 1 73 73 ALA CB C 13 20.658 0.033 . 1 . . . A 66 ALA CB . 25085 1 782 . 1 1 73 73 ALA N N 15 118.880 0.023 . 1 . . . A 66 ALA N . 25085 1 783 . 1 1 74 74 GLY H H 1 8.845 0.011 . 1 . . . A 67 GLY H . 25085 1 784 . 1 1 74 74 GLY HA2 H 1 4.530 0.012 . 1 . . . A 67 GLY HA2 . 25085 1 785 . 1 1 74 74 GLY HA3 H 1 3.973 0.016 . 1 . . . A 67 GLY HA3 . 25085 1 786 . 1 1 74 74 GLY C C 13 174.810 0.050 . 1 . . . A 67 GLY C . 25085 1 787 . 1 1 74 74 GLY CA C 13 45.642 0.554 . 1 . . . A 67 GLY CA . 25085 1 788 . 1 1 74 74 GLY N N 15 112.878 0.019 . 1 . . . A 67 GLY N . 25085 1 789 . 1 1 75 75 LYS H H 1 7.936 0.010 . 1 . . . A 68 LYS H . 25085 1 790 . 1 1 75 75 LYS HA H 1 4.158 0.009 . 1 . . . A 68 LYS HA . 25085 1 791 . 1 1 75 75 LYS HB2 H 1 1.973 0.006 . 1 . . . A 68 LYS HB2 . 25085 1 792 . 1 1 75 75 LYS HB3 H 1 1.973 0.006 . 1 . . . A 68 LYS HB3 . 25085 1 793 . 1 1 75 75 LYS HG2 H 1 1.442 0.006 . 1 . . . A 68 LYS HG2 . 25085 1 794 . 1 1 75 75 LYS HG3 H 1 1.442 0.006 . 1 . . . A 68 LYS HG3 . 25085 1 795 . 1 1 75 75 LYS HD2 H 1 1.659 0.001 . 1 . . . A 68 LYS HD2 . 25085 1 796 . 1 1 75 75 LYS HD3 H 1 1.659 0.001 . 1 . . . A 68 LYS HD3 . 25085 1 797 . 1 1 75 75 LYS HE2 H 1 2.966 0.004 . 1 . . . A 68 LYS HE2 . 25085 1 798 . 1 1 75 75 LYS HE3 H 1 2.966 0.004 . 1 . . . A 68 LYS HE3 . 25085 1 799 . 1 1 75 75 LYS C C 13 177.939 0.050 . 1 . . . A 68 LYS C . 25085 1 800 . 1 1 75 75 LYS CA C 13 58.811 0.016 . 1 . . . A 68 LYS CA . 25085 1 801 . 1 1 75 75 LYS CB C 13 32.796 0.111 . 1 . . . A 68 LYS CB . 25085 1 802 . 1 1 75 75 LYS CE C 13 42.031 0.050 . 1 . . . A 68 LYS CE . 25085 1 803 . 1 1 75 75 LYS N N 15 120.133 0.054 . 1 . . . A 68 LYS N . 25085 1 804 . 1 1 76 76 ARG H H 1 8.981 0.009 . 1 . . . A 69 ARG H . 25085 1 805 . 1 1 76 76 ARG HA H 1 4.217 0.006 . 1 . . . A 69 ARG HA . 25085 1 806 . 1 1 76 76 ARG HB2 H 1 1.915 0.012 . 1 . . . A 69 ARG HB2 . 25085 1 807 . 1 1 76 76 ARG HB3 H 1 2.216 0.008 . 1 . . . A 69 ARG HB3 . 25085 1 808 . 1 1 76 76 ARG HG2 H 1 1.802 0.002 . 1 . . . A 69 ARG HG2 . 25085 1 809 . 1 1 76 76 ARG HG3 H 1 1.583 0.001 . 1 . . . A 69 ARG HG3 . 25085 1 810 . 1 1 76 76 ARG HD2 H 1 3.252 0.002 . 1 . . . A 69 ARG HD2 . 25085 1 811 . 1 1 76 76 ARG HD3 H 1 3.066 0.001 . 1 . . . A 69 ARG HD3 . 25085 1 812 . 1 1 76 76 ARG C C 13 180.944 0.050 . 1 . . . A 69 ARG C . 25085 1 813 . 1 1 76 76 ARG CA C 13 60.010 0.050 . 1 . . . A 69 ARG CA . 25085 1 814 . 1 1 76 76 ARG CB C 13 30.974 0.012 . 1 . . . A 69 ARG CB . 25085 1 815 . 1 1 76 76 ARG CG C 13 27.602 0.050 . 1 . . . A 69 ARG CG . 25085 1 816 . 1 1 76 76 ARG CD C 13 44.061 0.070 . 1 . . . A 69 ARG CD . 25085 1 817 . 1 1 76 76 ARG N N 15 125.804 0.045 . 1 . . . A 69 ARG N . 25085 1 818 . 1 1 77 77 THR H H 1 10.382 0.007 . 1 . . . A 70 THR H . 25085 1 819 . 1 1 77 77 THR HA H 1 3.607 0.005 . 1 . . . A 70 THR HA . 25085 1 820 . 1 1 77 77 THR HB H 1 4.101 0.011 . 1 . . . A 70 THR HB . 25085 1 821 . 1 1 77 77 THR HG21 H 1 1.140 0.008 . 1 . . . A 70 THR HG21 . 25085 1 822 . 1 1 77 77 THR HG22 H 1 1.140 0.008 . 1 . . . A 70 THR HG22 . 25085 1 823 . 1 1 77 77 THR HG23 H 1 1.140 0.008 . 1 . . . A 70 THR HG23 . 25085 1 824 . 1 1 77 77 THR C C 13 176.434 0.050 . 1 . . . A 70 THR C . 25085 1 825 . 1 1 77 77 THR CA C 13 65.914 0.060 . 1 . . . A 70 THR CA . 25085 1 826 . 1 1 77 77 THR CB C 13 68.169 0.053 . 1 . . . A 70 THR CB . 25085 1 827 . 1 1 77 77 THR CG2 C 13 24.544 0.050 . 1 . . . A 70 THR CG2 . 25085 1 828 . 1 1 77 77 THR N N 15 116.681 0.053 . 1 . . . A 70 THR N . 25085 1 829 . 1 1 78 78 SER H H 1 7.346 0.005 . 1 . . . A 71 SER H . 25085 1 830 . 1 1 78 78 SER HA H 1 3.993 0.013 . 1 . . . A 71 SER HA . 25085 1 831 . 1 1 78 78 SER HB2 H 1 4.201 0.010 . 1 . . . A 71 SER HB2 . 25085 1 832 . 1 1 78 78 SER HB3 H 1 4.201 0.010 . 1 . . . A 71 SER HB3 . 25085 1 833 . 1 1 78 78 SER C C 13 177.594 0.050 . 1 . . . A 71 SER C . 25085 1 834 . 1 1 78 78 SER CA C 13 62.500 0.062 . 1 . . . A 71 SER CA . 25085 1 835 . 1 1 78 78 SER N N 15 113.046 0.024 . 1 . . . A 71 SER N . 25085 1 836 . 1 1 79 79 ASN H H 1 8.078 0.008 . 1 . . . A 72 ASN H . 25085 1 837 . 1 1 79 79 ASN HA H 1 4.598 0.003 . 1 . . . A 72 ASN HA . 25085 1 838 . 1 1 79 79 ASN HB2 H 1 2.805 0.013 . 1 . . . A 72 ASN HB2 . 25085 1 839 . 1 1 79 79 ASN HB3 H 1 2.879 0.009 . 1 . . . A 72 ASN HB3 . 25085 1 840 . 1 1 79 79 ASN C C 13 175.595 0.050 . 1 . . . A 72 ASN C . 25085 1 841 . 1 1 79 79 ASN CA C 13 55.147 0.076 . 1 . . . A 72 ASN CA . 25085 1 842 . 1 1 79 79 ASN CB C 13 38.821 0.040 . 1 . . . A 72 ASN CB . 25085 1 843 . 1 1 79 79 ASN N N 15 117.540 0.028 . 1 . . . A 72 ASN N . 25085 1 844 . 1 1 80 80 ASN H H 1 7.290 0.007 . 1 . . . A 73 ASN H . 25085 1 845 . 1 1 80 80 ASN HA H 1 5.159 0.003 . 1 . . . A 73 ASN HA . 25085 1 846 . 1 1 80 80 ASN HB2 H 1 2.652 0.005 . 1 . . . A 73 ASN HB2 . 25085 1 847 . 1 1 80 80 ASN HB3 H 1 2.317 0.006 . 1 . . . A 73 ASN HB3 . 25085 1 848 . 1 1 80 80 ASN C C 13 174.375 0.050 . 1 . . . A 73 ASN C . 25085 1 849 . 1 1 80 80 ASN CA C 13 52.976 0.031 . 1 . . . A 73 ASN CA . 25085 1 850 . 1 1 80 80 ASN CB C 13 39.862 0.019 . 1 . . . A 73 ASN CB . 25085 1 851 . 1 1 80 80 ASN N N 15 114.869 0.059 . 1 . . . A 73 ASN N . 25085 1 852 . 1 1 81 81 ALA H H 1 7.105 0.005 . 1 . . . A 74 ALA H . 25085 1 853 . 1 1 81 81 ALA HA H 1 3.721 0.004 . 1 . . . A 74 ALA HA . 25085 1 854 . 1 1 81 81 ALA HB1 H 1 1.499 0.004 . 1 . . . A 74 ALA HB1 . 25085 1 855 . 1 1 81 81 ALA HB2 H 1 1.499 0.004 . 1 . . . A 74 ALA HB2 . 25085 1 856 . 1 1 81 81 ALA HB3 H 1 1.499 0.004 . 1 . . . A 74 ALA HB3 . 25085 1 857 . 1 1 81 81 ALA C C 13 177.908 0.050 . 1 . . . A 74 ALA C . 25085 1 858 . 1 1 81 81 ALA CA C 13 57.085 0.040 . 1 . . . A 74 ALA CA . 25085 1 859 . 1 1 81 81 ALA CB C 13 19.427 0.052 . 1 . . . A 74 ALA CB . 25085 1 860 . 1 1 81 81 ALA N N 15 124.647 0.014 . 1 . . . A 74 ALA N . 25085 1 861 . 1 1 82 82 ASP H H 1 8.403 0.007 . 1 . . . A 75 ASP H . 25085 1 862 . 1 1 82 82 ASP HA H 1 4.250 0.007 . 1 . . . A 75 ASP HA . 25085 1 863 . 1 1 82 82 ASP HB2 H 1 2.608 0.010 . 1 . . . A 75 ASP HB2 . 25085 1 864 . 1 1 82 82 ASP HB3 H 1 2.555 0.010 . 1 . . . A 75 ASP HB3 . 25085 1 865 . 1 1 82 82 ASP C C 13 179.100 0.050 . 1 . . . A 75 ASP C . 25085 1 866 . 1 1 82 82 ASP CA C 13 57.236 0.029 . 1 . . . A 75 ASP CA . 25085 1 867 . 1 1 82 82 ASP CB C 13 39.783 0.022 . 1 . . . A 75 ASP CB . 25085 1 868 . 1 1 82 82 ASP N N 15 114.917 0.018 . 1 . . . A 75 ASP N . 25085 1 869 . 1 1 83 83 LYS H H 1 7.652 0.008 . 1 . . . A 76 LYS H . 25085 1 870 . 1 1 83 83 LYS HA H 1 4.053 0.007 . 1 . . . A 76 LYS HA . 25085 1 871 . 1 1 83 83 LYS HB2 H 1 1.833 0.010 . 1 . . . A 76 LYS HB2 . 25085 1 872 . 1 1 83 83 LYS HB3 H 1 1.698 0.009 . 1 . . . A 76 LYS HB3 . 25085 1 873 . 1 1 83 83 LYS HG2 H 1 1.463 0.003 . 1 . . . A 76 LYS HG2 . 25085 1 874 . 1 1 83 83 LYS HG3 H 1 1.362 0.003 . 1 . . . A 76 LYS HG3 . 25085 1 875 . 1 1 83 83 LYS HD2 H 1 1.673 0.009 . 1 . . . A 76 LYS HD2 . 25085 1 876 . 1 1 83 83 LYS HD3 H 1 1.673 0.009 . 1 . . . A 76 LYS HD3 . 25085 1 877 . 1 1 83 83 LYS HE2 H 1 2.945 0.004 . 1 . . . A 76 LYS HE2 . 25085 1 878 . 1 1 83 83 LYS HE3 H 1 2.945 0.004 . 1 . . . A 76 LYS HE3 . 25085 1 879 . 1 1 83 83 LYS C C 13 178.832 0.050 . 1 . . . A 76 LYS C . 25085 1 880 . 1 1 83 83 LYS CA C 13 58.864 0.024 . 1 . . . A 76 LYS CA . 25085 1 881 . 1 1 83 83 LYS CB C 13 32.423 0.052 . 1 . . . A 76 LYS CB . 25085 1 882 . 1 1 83 83 LYS CG C 13 24.527 0.050 . 1 . . . A 76 LYS CG . 25085 1 883 . 1 1 83 83 LYS CD C 13 29.322 0.050 . 1 . . . A 76 LYS CD . 25085 1 884 . 1 1 83 83 LYS CE C 13 41.575 0.008 . 1 . . . A 76 LYS CE . 25085 1 885 . 1 1 83 83 LYS N N 15 121.888 0.017 . 1 . . . A 76 LYS N . 25085 1 886 . 1 1 84 84 LEU H H 1 8.146 0.008 . 1 . . . A 77 LEU H . 25085 1 887 . 1 1 84 84 LEU HA H 1 3.557 0.003 . 1 . . . A 77 LEU HA . 25085 1 888 . 1 1 84 84 LEU HB2 H 1 1.553 0.012 . 1 . . . A 77 LEU HB2 . 25085 1 889 . 1 1 84 84 LEU HB3 H 1 0.671 0.008 . 1 . . . A 77 LEU HB3 . 25085 1 890 . 1 1 84 84 LEU HG H 1 1.362 0.012 . 1 . . . A 77 LEU HG . 25085 1 891 . 1 1 84 84 LEU HD11 H 1 0.310 0.004 . 1 . . . A 77 LEU HD11 . 25085 1 892 . 1 1 84 84 LEU HD12 H 1 0.310 0.004 . 1 . . . A 77 LEU HD12 . 25085 1 893 . 1 1 84 84 LEU HD13 H 1 0.310 0.004 . 1 . . . A 77 LEU HD13 . 25085 1 894 . 1 1 84 84 LEU HD21 H 1 -0.202 0.004 . 1 . . . A 77 LEU HD21 . 25085 1 895 . 1 1 84 84 LEU HD22 H 1 -0.202 0.004 . 1 . . . A 77 LEU HD22 . 25085 1 896 . 1 1 84 84 LEU HD23 H 1 -0.202 0.004 . 1 . . . A 77 LEU HD23 . 25085 1 897 . 1 1 84 84 LEU C C 13 178.068 0.050 . 1 . . . A 77 LEU C . 25085 1 898 . 1 1 84 84 LEU CA C 13 57.692 0.012 . 1 . . . A 77 LEU CA . 25085 1 899 . 1 1 84 84 LEU CB C 13 40.077 0.040 . 1 . . . A 77 LEU CB . 25085 1 900 . 1 1 84 84 LEU CG C 13 25.746 0.050 . 1 . . . A 77 LEU CG . 25085 1 901 . 1 1 84 84 LEU CD2 C 13 20.722 0.050 . 1 . . . A 77 LEU CD2 . 25085 1 902 . 1 1 84 84 LEU N N 15 118.644 0.034 . 1 . . . A 77 LEU N . 25085 1 903 . 1 1 85 85 ALA H H 1 8.136 0.006 . 1 . . . A 78 ALA H . 25085 1 904 . 1 1 85 85 ALA HA H 1 3.990 0.004 . 1 . . . A 78 ALA HA . 25085 1 905 . 1 1 85 85 ALA HB1 H 1 1.430 0.003 . 1 . . . A 78 ALA HB1 . 25085 1 906 . 1 1 85 85 ALA HB2 H 1 1.430 0.003 . 1 . . . A 78 ALA HB2 . 25085 1 907 . 1 1 85 85 ALA HB3 H 1 1.430 0.003 . 1 . . . A 78 ALA HB3 . 25085 1 908 . 1 1 85 85 ALA C C 13 179.542 0.050 . 1 . . . A 78 ALA C . 25085 1 909 . 1 1 85 85 ALA CA C 13 54.937 0.063 . 1 . . . A 78 ALA CA . 25085 1 910 . 1 1 85 85 ALA CB C 13 18.080 0.030 . 1 . . . A 78 ALA CB . 25085 1 911 . 1 1 85 85 ALA N N 15 119.668 0.034 . 1 . . . A 78 ALA N . 25085 1 912 . 1 1 86 86 ALA H H 1 7.319 0.008 . 1 . . . A 79 ALA H . 25085 1 913 . 1 1 86 86 ALA HA H 1 4.139 0.004 . 1 . . . A 79 ALA HA . 25085 1 914 . 1 1 86 86 ALA HB1 H 1 1.475 0.004 . 1 . . . A 79 ALA HB1 . 25085 1 915 . 1 1 86 86 ALA HB2 H 1 1.475 0.004 . 1 . . . A 79 ALA HB2 . 25085 1 916 . 1 1 86 86 ALA HB3 H 1 1.475 0.004 . 1 . . . A 79 ALA HB3 . 25085 1 917 . 1 1 86 86 ALA C C 13 180.800 0.050 . 1 . . . A 79 ALA C . 25085 1 918 . 1 1 86 86 ALA CA C 13 54.571 0.029 . 1 . . . A 79 ALA CA . 25085 1 919 . 1 1 86 86 ALA CB C 13 18.268 0.031 . 1 . . . A 79 ALA CB . 25085 1 920 . 1 1 86 86 ALA N N 15 118.918 0.029 . 1 . . . A 79 ALA N . 25085 1 921 . 1 1 87 87 ILE H H 1 8.227 0.008 . 1 . . . A 80 ILE H . 25085 1 922 . 1 1 87 87 ILE HA H 1 3.801 0.007 . 1 . . . A 80 ILE HA . 25085 1 923 . 1 1 87 87 ILE HB H 1 1.813 0.013 . 1 . . . A 80 ILE HB . 25085 1 924 . 1 1 87 87 ILE HG12 H 1 1.806 0.008 . 1 . . . A 80 ILE HG12 . 25085 1 925 . 1 1 87 87 ILE HG13 H 1 1.077 0.012 . 1 . . . A 80 ILE HG13 . 25085 1 926 . 1 1 87 87 ILE HG21 H 1 0.875 0.019 . 1 . . . A 80 ILE HG21 . 25085 1 927 . 1 1 87 87 ILE HG22 H 1 0.875 0.019 . 1 . . . A 80 ILE HG22 . 25085 1 928 . 1 1 87 87 ILE HG23 H 1 0.875 0.019 . 1 . . . A 80 ILE HG23 . 25085 1 929 . 1 1 87 87 ILE HD11 H 1 0.574 0.004 . 1 . . . A 80 ILE HD11 . 25085 1 930 . 1 1 87 87 ILE HD12 H 1 0.574 0.004 . 1 . . . A 80 ILE HD12 . 25085 1 931 . 1 1 87 87 ILE HD13 H 1 0.574 0.004 . 1 . . . A 80 ILE HD13 . 25085 1 932 . 1 1 87 87 ILE C C 13 177.302 0.050 . 1 . . . A 80 ILE C . 25085 1 933 . 1 1 87 87 ILE CA C 13 64.252 0.026 . 1 . . . A 80 ILE CA . 25085 1 934 . 1 1 87 87 ILE CB C 13 39.115 0.025 . 1 . . . A 80 ILE CB . 25085 1 935 . 1 1 87 87 ILE CG1 C 13 29.635 0.050 . 1 . . . A 80 ILE CG1 . 25085 1 936 . 1 1 87 87 ILE CG2 C 13 18.190 0.050 . 1 . . . A 80 ILE CG2 . 25085 1 937 . 1 1 87 87 ILE CD1 C 13 14.418 0.050 . 1 . . . A 80 ILE CD1 . 25085 1 938 . 1 1 87 87 ILE N N 15 118.438 0.038 . 1 . . . A 80 ILE N . 25085 1 939 . 1 1 88 88 ALA H H 1 7.913 0.004 . 1 . . . A 81 ALA H . 25085 1 940 . 1 1 88 88 ALA HA H 1 4.466 0.004 . 1 . . . A 81 ALA HA . 25085 1 941 . 1 1 88 88 ALA HB1 H 1 1.548 0.003 . 1 . . . A 81 ALA HB1 . 25085 1 942 . 1 1 88 88 ALA HB2 H 1 1.548 0.003 . 1 . . . A 81 ALA HB2 . 25085 1 943 . 1 1 88 88 ALA HB3 H 1 1.548 0.003 . 1 . . . A 81 ALA HB3 . 25085 1 944 . 1 1 88 88 ALA C C 13 176.153 0.050 . 1 . . . A 81 ALA C . 25085 1 945 . 1 1 88 88 ALA CA C 13 51.404 0.042 . 1 . . . A 81 ALA CA . 25085 1 946 . 1 1 88 88 ALA CB C 13 20.200 0.037 . 1 . . . A 81 ALA CB . 25085 1 947 . 1 1 88 88 ALA N N 15 117.917 0.017 . 1 . . . A 81 ALA N . 25085 1 948 . 1 1 89 89 ALA H H 1 7.223 0.005 . 1 . . . A 82 ALA H . 25085 1 949 . 1 1 89 89 ALA HA H 1 4.457 0.006 . 1 . . . A 82 ALA HA . 25085 1 950 . 1 1 89 89 ALA HB1 H 1 1.446 0.002 . 1 . . . A 82 ALA HB1 . 25085 1 951 . 1 1 89 89 ALA HB2 H 1 1.446 0.002 . 1 . . . A 82 ALA HB2 . 25085 1 952 . 1 1 89 89 ALA HB3 H 1 1.446 0.002 . 1 . . . A 82 ALA HB3 . 25085 1 953 . 1 1 89 89 ALA CA C 13 52.276 0.007 . 1 . . . A 82 ALA CA . 25085 1 954 . 1 1 89 89 ALA CB C 13 17.243 0.050 . 1 . . . A 82 ALA CB . 25085 1 955 . 1 1 89 89 ALA N N 15 124.086 0.011 . 1 . . . A 82 ALA N . 25085 1 956 . 1 1 90 90 PRO HA H 1 4.692 0.005 . 1 . . . A 83 PRO HA . 25085 1 957 . 1 1 90 90 PRO HB2 H 1 2.478 0.003 . 1 . . . A 83 PRO HB2 . 25085 1 958 . 1 1 90 90 PRO HB3 H 1 1.986 0.003 . 1 . . . A 83 PRO HB3 . 25085 1 959 . 1 1 90 90 PRO HG2 H 1 1.923 0.019 . 1 . . . A 83 PRO HG2 . 25085 1 960 . 1 1 90 90 PRO HG3 H 1 1.670 0.004 . 1 . . . A 83 PRO HG3 . 25085 1 961 . 1 1 90 90 PRO HD2 H 1 3.504 0.007 . 1 . . . A 83 PRO HD2 . 25085 1 962 . 1 1 90 90 PRO HD3 H 1 3.419 0.003 . 1 . . . A 83 PRO HD3 . 25085 1 963 . 1 1 90 90 PRO C C 13 175.169 0.050 . 1 . . . A 83 PRO C . 25085 1 964 . 1 1 90 90 PRO CA C 13 63.767 0.012 . 1 . . . A 83 PRO CA . 25085 1 965 . 1 1 90 90 PRO CB C 13 32.624 0.024 . 1 . . . A 83 PRO CB . 25085 1 966 . 1 1 90 90 PRO CG C 13 24.237 0.050 . 1 . . . A 83 PRO CG . 25085 1 967 . 1 1 90 90 PRO CD C 13 49.646 0.029 . 1 . . . A 83 PRO CD . 25085 1 968 . 1 1 91 91 ALA H H 1 8.528 0.007 . 1 . . . A 84 ALA H . 25085 1 969 . 1 1 91 91 ALA HA H 1 4.138 0.006 . 1 . . . A 84 ALA HA . 25085 1 970 . 1 1 91 91 ALA HB1 H 1 1.347 0.005 . 1 . . . A 84 ALA HB1 . 25085 1 971 . 1 1 91 91 ALA HB2 H 1 1.347 0.005 . 1 . . . A 84 ALA HB2 . 25085 1 972 . 1 1 91 91 ALA HB3 H 1 1.347 0.005 . 1 . . . A 84 ALA HB3 . 25085 1 973 . 1 1 91 91 ALA C C 13 176.494 0.050 . 1 . . . A 84 ALA C . 25085 1 974 . 1 1 91 91 ALA CA C 13 53.432 0.049 . 1 . . . A 84 ALA CA . 25085 1 975 . 1 1 91 91 ALA CB C 13 19.719 0.055 . 1 . . . A 84 ALA CB . 25085 1 976 . 1 1 91 91 ALA N N 15 127.741 0.027 . 1 . . . A 84 ALA N . 25085 1 977 . 1 1 92 92 GLU H H 1 8.166 0.006 . 1 . . . A 85 GLU H . 25085 1 978 . 1 1 92 92 GLU HA H 1 4.228 0.007 . 1 . . . A 85 GLU HA . 25085 1 979 . 1 1 92 92 GLU HB2 H 1 2.157 0.008 . 1 . . . A 85 GLU HB2 . 25085 1 980 . 1 1 92 92 GLU HB3 H 1 1.926 0.009 . 1 . . . A 85 GLU HB3 . 25085 1 981 . 1 1 92 92 GLU HG2 H 1 2.154 0.006 . 1 . . . A 85 GLU HG2 . 25085 1 982 . 1 1 92 92 GLU HG3 H 1 1.935 0.002 . 1 . . . A 85 GLU HG3 . 25085 1 983 . 1 1 92 92 GLU C C 13 175.094 0.050 . 1 . . . A 85 GLU C . 25085 1 984 . 1 1 92 92 GLU CA C 13 56.444 0.014 . 1 . . . A 85 GLU CA . 25085 1 985 . 1 1 92 92 GLU CB C 13 30.803 0.041 . 1 . . . A 85 GLU CB . 25085 1 986 . 1 1 92 92 GLU CG C 13 36.764 0.048 . 1 . . . A 85 GLU CG . 25085 1 987 . 1 1 92 92 GLU N N 15 121.634 0.031 . 1 . . . A 85 GLU N . 25085 1 988 . 1 1 93 93 ILE H H 1 7.925 0.007 . 1 . . . A 86 ILE H . 25085 1 989 . 1 1 93 93 ILE HA H 1 5.269 0.005 . 1 . . . A 86 ILE HA . 25085 1 990 . 1 1 93 93 ILE HB H 1 1.677 0.004 . 1 . . . A 86 ILE HB . 25085 1 991 . 1 1 93 93 ILE HG12 H 1 1.472 0.003 . 1 . . . A 86 ILE HG12 . 25085 1 992 . 1 1 93 93 ILE HG13 H 1 0.896 0.003 . 1 . . . A 86 ILE HG13 . 25085 1 993 . 1 1 93 93 ILE HG21 H 1 0.905 0.016 . 1 . . . A 86 ILE HG21 . 25085 1 994 . 1 1 93 93 ILE HG22 H 1 0.905 0.016 . 1 . . . A 86 ILE HG22 . 25085 1 995 . 1 1 93 93 ILE HG23 H 1 0.905 0.016 . 1 . . . A 86 ILE HG23 . 25085 1 996 . 1 1 93 93 ILE HD11 H 1 0.818 0.006 . 1 . . . A 86 ILE HD11 . 25085 1 997 . 1 1 93 93 ILE HD12 H 1 0.818 0.006 . 1 . . . A 86 ILE HD12 . 25085 1 998 . 1 1 93 93 ILE HD13 H 1 0.818 0.006 . 1 . . . A 86 ILE HD13 . 25085 1 999 . 1 1 93 93 ILE C C 13 174.463 0.050 . 1 . . . A 86 ILE C . 25085 1 1000 . 1 1 93 93 ILE CA C 13 59.329 0.053 . 1 . . . A 86 ILE CA . 25085 1 1001 . 1 1 93 93 ILE CB C 13 40.546 0.052 . 1 . . . A 86 ILE CB . 25085 1 1002 . 1 1 93 93 ILE CG1 C 13 27.201 0.050 . 1 . . . A 86 ILE CG1 . 25085 1 1003 . 1 1 93 93 ILE CG2 C 13 19.655 0.050 . 1 . . . A 86 ILE CG2 . 25085 1 1004 . 1 1 93 93 ILE CD1 C 13 16.021 0.050 . 1 . . . A 86 ILE CD1 . 25085 1 1005 . 1 1 93 93 ILE N N 15 122.543 0.047 . 1 . . . A 86 ILE N . 25085 1 1006 . 1 1 94 94 PHE H H 1 9.050 0.006 . 1 . . . A 87 PHE H . 25085 1 1007 . 1 1 94 94 PHE HA H 1 5.428 0.012 . 1 . . . A 87 PHE HA . 25085 1 1008 . 1 1 94 94 PHE HB2 H 1 2.883 0.010 . 1 . . . A 87 PHE HB2 . 25085 1 1009 . 1 1 94 94 PHE HB3 H 1 2.644 0.007 . 1 . . . A 87 PHE HB3 . 25085 1 1010 . 1 1 94 94 PHE HD1 H 1 6.965 0.001 . 1 . . . A 87 PHE HD1 . 25085 1 1011 . 1 1 94 94 PHE HD2 H 1 6.965 0.001 . 1 . . . A 87 PHE HD2 . 25085 1 1012 . 1 1 94 94 PHE C C 13 174.450 0.050 . 1 . . . A 87 PHE C . 25085 1 1013 . 1 1 94 94 PHE CA C 13 55.029 0.011 . 1 . . . A 87 PHE CA . 25085 1 1014 . 1 1 94 94 PHE CB C 13 43.626 0.061 . 1 . . . A 87 PHE CB . 25085 1 1015 . 1 1 94 94 PHE N N 15 122.457 0.053 . 1 . . . A 87 PHE N . 25085 1 1016 . 1 1 95 95 LEU H H 1 8.824 0.008 . 1 . . . A 88 LEU H . 25085 1 1017 . 1 1 95 95 LEU HA H 1 5.358 0.006 . 1 . . . A 88 LEU HA . 25085 1 1018 . 1 1 95 95 LEU HB2 H 1 1.916 0.010 . 1 . . . A 88 LEU HB2 . 25085 1 1019 . 1 1 95 95 LEU HB3 H 1 1.395 0.007 . 1 . . . A 88 LEU HB3 . 25085 1 1020 . 1 1 95 95 LEU HG H 1 1.619 0.004 . 1 . . . A 88 LEU HG . 25085 1 1021 . 1 1 95 95 LEU HD11 H 1 0.793 0.003 . 1 . . . A 88 LEU HD11 . 25085 1 1022 . 1 1 95 95 LEU HD12 H 1 0.793 0.003 . 1 . . . A 88 LEU HD12 . 25085 1 1023 . 1 1 95 95 LEU HD13 H 1 0.793 0.003 . 1 . . . A 88 LEU HD13 . 25085 1 1024 . 1 1 95 95 LEU HD21 H 1 0.863 0.004 . 1 . . . A 88 LEU HD21 . 25085 1 1025 . 1 1 95 95 LEU HD22 H 1 0.863 0.004 . 1 . . . A 88 LEU HD22 . 25085 1 1026 . 1 1 95 95 LEU HD23 H 1 0.863 0.004 . 1 . . . A 88 LEU HD23 . 25085 1 1027 . 1 1 95 95 LEU C C 13 176.627 0.050 . 1 . . . A 88 LEU C . 25085 1 1028 . 1 1 95 95 LEU CA C 13 52.654 0.031 . 1 . . . A 88 LEU CA . 25085 1 1029 . 1 1 95 95 LEU CB C 13 43.094 0.079 . 1 . . . A 88 LEU CB . 25085 1 1030 . 1 1 95 95 LEU CD1 C 13 25.452 0.050 . 1 . . . A 88 LEU CD1 . 25085 1 1031 . 1 1 95 95 LEU CD2 C 13 23.929 0.050 . 1 . . . A 88 LEU CD2 . 25085 1 1032 . 1 1 95 95 LEU N N 15 119.959 0.028 . 1 . . . A 88 LEU N . 25085 1 1033 . 1 1 96 96 LEU H H 1 8.293 0.006 . 1 . . . A 89 LEU H . 25085 1 1034 . 1 1 96 96 LEU HA H 1 4.432 0.005 . 1 . . . A 89 LEU HA . 25085 1 1035 . 1 1 96 96 LEU HB2 H 1 2.066 0.007 . 1 . . . A 89 LEU HB2 . 25085 1 1036 . 1 1 96 96 LEU HB3 H 1 0.966 0.020 . 1 . . . A 89 LEU HB3 . 25085 1 1037 . 1 1 96 96 LEU HG H 1 1.638 0.004 . 1 . . . A 89 LEU HG . 25085 1 1038 . 1 1 96 96 LEU HD11 H 1 0.512 0.005 . 1 . . . A 89 LEU HD11 . 25085 1 1039 . 1 1 96 96 LEU HD12 H 1 0.512 0.005 . 1 . . . A 89 LEU HD12 . 25085 1 1040 . 1 1 96 96 LEU HD13 H 1 0.512 0.005 . 1 . . . A 89 LEU HD13 . 25085 1 1041 . 1 1 96 96 LEU HD21 H 1 0.883 0.009 . 1 . . . A 89 LEU HD21 . 25085 1 1042 . 1 1 96 96 LEU HD22 H 1 0.883 0.009 . 1 . . . A 89 LEU HD22 . 25085 1 1043 . 1 1 96 96 LEU HD23 H 1 0.883 0.009 . 1 . . . A 89 LEU HD23 . 25085 1 1044 . 1 1 96 96 LEU C C 13 176.693 0.050 . 1 . . . A 89 LEU C . 25085 1 1045 . 1 1 96 96 LEU CA C 13 55.385 0.014 . 1 . . . A 89 LEU CA . 25085 1 1046 . 1 1 96 96 LEU CB C 13 43.537 0.077 . 1 . . . A 89 LEU CB . 25085 1 1047 . 1 1 96 96 LEU N N 15 124.096 0.036 . 1 . . . A 89 LEU N . 25085 1 1048 . 1 1 97 97 GLU H H 1 9.394 0.007 . 1 . . . A 90 GLU H . 25085 1 1049 . 1 1 97 97 GLU HA H 1 3.895 0.009 . 1 . . . A 90 GLU HA . 25085 1 1050 . 1 1 97 97 GLU HB2 H 1 1.965 0.005 . 1 . . . A 90 GLU HB2 . 25085 1 1051 . 1 1 97 97 GLU HB3 H 1 1.739 0.009 . 1 . . . A 90 GLU HB3 . 25085 1 1052 . 1 1 97 97 GLU HG2 H 1 2.042 0.010 . 1 . . . A 90 GLU HG2 . 25085 1 1053 . 1 1 97 97 GLU HG3 H 1 2.101 0.001 . 1 . . . A 90 GLU HG3 . 25085 1 1054 . 1 1 97 97 GLU C C 13 175.199 0.050 . 1 . . . A 90 GLU C . 25085 1 1055 . 1 1 97 97 GLU CA C 13 58.586 0.013 . 1 . . . A 90 GLU CA . 25085 1 1056 . 1 1 97 97 GLU CB C 13 30.831 0.086 . 1 . . . A 90 GLU CB . 25085 1 1057 . 1 1 97 97 GLU CG C 13 36.026 0.065 . 1 . . . A 90 GLU CG . 25085 1 1058 . 1 1 97 97 GLU N N 15 102.942 0.304 . 1 . . . A 90 GLU N . 25085 1 1059 . 1 1 98 98 ASP H H 1 9.210 0.006 . 1 . . . A 91 ASP H . 25085 1 1060 . 1 1 98 98 ASP HA H 1 4.184 0.008 . 1 . . . A 91 ASP HA . 25085 1 1061 . 1 1 98 98 ASP HB2 H 1 2.969 0.003 . 1 . . . A 91 ASP HB2 . 25085 1 1062 . 1 1 98 98 ASP HB3 H 1 2.929 0.010 . 1 . . . A 91 ASP HB3 . 25085 1 1063 . 1 1 98 98 ASP C C 13 176.159 0.050 . 1 . . . A 91 ASP C . 25085 1 1064 . 1 1 98 98 ASP CA C 13 55.814 0.049 . 1 . . . A 91 ASP CA . 25085 1 1065 . 1 1 98 98 ASP CB C 13 39.033 0.050 . 1 . . . A 91 ASP CB . 25085 1 1066 . 1 1 98 98 ASP N N 15 120.515 0.032 . 1 . . . A 91 ASP N . 25085 1 1067 . 1 1 99 99 GLY H H 1 7.902 0.007 . 1 . . . A 92 GLY H . 25085 1 1068 . 1 1 99 99 GLY HA2 H 1 3.777 0.012 . 1 . . . A 92 GLY HA2 . 25085 1 1069 . 1 1 99 99 GLY HA3 H 1 3.746 0.005 . 1 . . . A 92 GLY HA3 . 25085 1 1070 . 1 1 99 99 GLY C C 13 172.980 0.050 . 1 . . . A 92 GLY C . 25085 1 1071 . 1 1 99 99 GLY CA C 13 46.946 0.008 . 1 . . . A 92 GLY CA . 25085 1 1072 . 1 1 99 99 GLY N N 15 104.313 0.041 . 1 . . . A 92 GLY N . 25085 1 1073 . 1 1 100 100 ILE H H 1 8.129 0.007 . 1 . . . A 93 ILE H . 25085 1 1074 . 1 1 100 100 ILE HA H 1 3.902 0.005 . 1 . . . A 93 ILE HA . 25085 1 1075 . 1 1 100 100 ILE HB H 1 1.502 0.009 . 1 . . . A 93 ILE HB . 25085 1 1076 . 1 1 100 100 ILE HG12 H 1 1.179 0.010 . 1 . . . A 93 ILE HG12 . 25085 1 1077 . 1 1 100 100 ILE HG13 H 1 1.157 0.007 . 1 . . . A 93 ILE HG13 . 25085 1 1078 . 1 1 100 100 ILE HG21 H 1 1.261 0.005 . 1 . . . A 93 ILE HG21 . 25085 1 1079 . 1 1 100 100 ILE HG22 H 1 1.261 0.005 . 1 . . . A 93 ILE HG22 . 25085 1 1080 . 1 1 100 100 ILE HG23 H 1 1.261 0.005 . 1 . . . A 93 ILE HG23 . 25085 1 1081 . 1 1 100 100 ILE HD11 H 1 0.766 0.005 . 1 . . . A 93 ILE HD11 . 25085 1 1082 . 1 1 100 100 ILE HD12 H 1 0.766 0.005 . 1 . . . A 93 ILE HD12 . 25085 1 1083 . 1 1 100 100 ILE HD13 H 1 0.766 0.005 . 1 . . . A 93 ILE HD13 . 25085 1 1084 . 1 1 100 100 ILE C C 13 176.528 0.050 . 1 . . . A 93 ILE C . 25085 1 1085 . 1 1 100 100 ILE CA C 13 63.908 0.034 . 1 . . . A 93 ILE CA . 25085 1 1086 . 1 1 100 100 ILE CB C 13 38.416 0.027 . 1 . . . A 93 ILE CB . 25085 1 1087 . 1 1 100 100 ILE CG1 C 13 29.896 0.050 . 1 . . . A 93 ILE CG1 . 25085 1 1088 . 1 1 100 100 ILE CG2 C 13 17.095 0.050 . 1 . . . A 93 ILE CG2 . 25085 1 1089 . 1 1 100 100 ILE CD1 C 13 14.957 0.050 . 1 . . . A 93 ILE CD1 . 25085 1 1090 . 1 1 100 100 ILE N N 15 121.445 0.033 . 1 . . . A 93 ILE N . 25085 1 1091 . 1 1 101 101 ASP H H 1 9.161 0.006 . 1 . . . A 94 ASP H . 25085 1 1092 . 1 1 101 101 ASP HA H 1 4.436 0.012 . 1 . . . A 94 ASP HA . 25085 1 1093 . 1 1 101 101 ASP HB2 H 1 3.077 0.012 . 1 . . . A 94 ASP HB2 . 25085 1 1094 . 1 1 101 101 ASP HB3 H 1 2.681 0.004 . 1 . . . A 94 ASP HB3 . 25085 1 1095 . 1 1 101 101 ASP C C 13 180.174 0.050 . 1 . . . A 94 ASP C . 25085 1 1096 . 1 1 101 101 ASP CA C 13 58.351 0.029 . 1 . . . A 94 ASP CA . 25085 1 1097 . 1 1 101 101 ASP CB C 13 39.223 0.040 . 1 . . . A 94 ASP CB . 25085 1 1098 . 1 1 101 101 ASP N N 15 126.304 0.027 . 1 . . . A 94 ASP N . 25085 1 1099 . 1 1 102 102 GLY H H 1 8.080 0.008 . 1 . . . A 95 GLY H . 25085 1 1100 . 1 1 102 102 GLY HA2 H 1 3.931 0.012 . 1 . . . A 95 GLY HA2 . 25085 1 1101 . 1 1 102 102 GLY HA3 H 1 3.765 0.006 . 1 . . . A 95 GLY HA3 . 25085 1 1102 . 1 1 102 102 GLY C C 13 176.108 0.050 . 1 . . . A 95 GLY C . 25085 1 1103 . 1 1 102 102 GLY CA C 13 46.873 0.015 . 1 . . . A 95 GLY CA . 25085 1 1104 . 1 1 102 102 GLY N N 15 110.690 0.052 . 1 . . . A 95 GLY N . 25085 1 1105 . 1 1 103 103 TRP H H 1 8.007 0.006 . 1 . . . A 96 TRP H . 25085 1 1106 . 1 1 103 103 TRP HA H 1 3.795 0.008 . 1 . . . A 96 TRP HA . 25085 1 1107 . 1 1 103 103 TRP HB2 H 1 3.655 0.006 . 1 . . . A 96 TRP HB2 . 25085 1 1108 . 1 1 103 103 TRP HB3 H 1 2.901 0.004 . 1 . . . A 96 TRP HB3 . 25085 1 1109 . 1 1 103 103 TRP HE1 H 1 10.456 0.010 . 1 . . . A 96 TRP HE1 . 25085 1 1110 . 1 1 103 103 TRP C C 13 177.058 0.050 . 1 . . . A 96 TRP C . 25085 1 1111 . 1 1 103 103 TRP CA C 13 61.633 0.012 . 1 . . . A 96 TRP CA . 25085 1 1112 . 1 1 103 103 TRP CB C 13 29.512 0.044 . 1 . . . A 96 TRP CB . 25085 1 1113 . 1 1 103 103 TRP N N 15 126.965 0.017 . 1 . . . A 96 TRP N . 25085 1 1114 . 1 1 103 103 TRP NE1 N 15 133.402 0.000 . 1 . . . A 96 TRP NE1 . 25085 1 1115 . 1 1 104 104 LYS H H 1 8.696 0.006 . 1 . . . A 97 LYS H . 25085 1 1116 . 1 1 104 104 LYS HA H 1 4.090 0.007 . 1 . . . A 97 LYS HA . 25085 1 1117 . 1 1 104 104 LYS HB2 H 1 1.918 0.003 . 1 . . . A 97 LYS HB2 . 25085 1 1118 . 1 1 104 104 LYS HB3 H 1 1.769 0.010 . 1 . . . A 97 LYS HB3 . 25085 1 1119 . 1 1 104 104 LYS HG2 H 1 1.774 0.005 . 1 . . . A 97 LYS HG2 . 25085 1 1120 . 1 1 104 104 LYS HG3 H 1 1.502 0.004 . 1 . . . A 97 LYS HG3 . 25085 1 1121 . 1 1 104 104 LYS HD2 H 1 1.696 0.003 . 1 . . . A 97 LYS HD2 . 25085 1 1122 . 1 1 104 104 LYS HD3 H 1 1.696 0.003 . 1 . . . A 97 LYS HD3 . 25085 1 1123 . 1 1 104 104 LYS HE2 H 1 2.842 0.003 . 1 . . . A 97 LYS HE2 . 25085 1 1124 . 1 1 104 104 LYS HE3 H 1 2.945 0.002 . 1 . . . A 97 LYS HE3 . 25085 1 1125 . 1 1 104 104 LYS C C 13 182.010 0.050 . 1 . . . A 97 LYS C . 25085 1 1126 . 1 1 104 104 LYS CA C 13 59.776 0.042 . 1 . . . A 97 LYS CA . 25085 1 1127 . 1 1 104 104 LYS CB C 13 32.208 0.029 . 1 . . . A 97 LYS CB . 25085 1 1128 . 1 1 104 104 LYS CG C 13 26.376 0.050 . 1 . . . A 97 LYS CG . 25085 1 1129 . 1 1 104 104 LYS CD C 13 29.516 0.050 . 1 . . . A 97 LYS CD . 25085 1 1130 . 1 1 104 104 LYS CE C 13 41.132 0.023 . 1 . . . A 97 LYS CE . 25085 1 1131 . 1 1 104 104 LYS N N 15 116.604 0.025 . 1 . . . A 97 LYS N . 25085 1 1132 . 1 1 105 105 ARG H H 1 8.280 0.007 . 1 . . . A 98 ARG H . 25085 1 1133 . 1 1 105 105 ARG HA H 1 4.050 0.004 . 1 . . . A 98 ARG HA . 25085 1 1134 . 1 1 105 105 ARG HB2 H 1 1.952 0.017 . 1 . . . A 98 ARG HB2 . 25085 1 1135 . 1 1 105 105 ARG HB3 H 1 2.013 0.003 . 1 . . . A 98 ARG HB3 . 25085 1 1136 . 1 1 105 105 ARG HG2 H 1 1.834 0.010 . 1 . . . A 98 ARG HG2 . 25085 1 1137 . 1 1 105 105 ARG HG3 H 1 1.641 0.004 . 1 . . . A 98 ARG HG3 . 25085 1 1138 . 1 1 105 105 ARG HD2 H 1 3.245 0.015 . 1 . . . A 98 ARG HD2 . 25085 1 1139 . 1 1 105 105 ARG HD3 H 1 3.245 0.015 . 1 . . . A 98 ARG HD3 . 25085 1 1140 . 1 1 105 105 ARG C C 13 177.666 0.050 . 1 . . . A 98 ARG C . 25085 1 1141 . 1 1 105 105 ARG CA C 13 59.509 0.037 . 1 . . . A 98 ARG CA . 25085 1 1142 . 1 1 105 105 ARG CB C 13 30.471 0.015 . 1 . . . A 98 ARG CB . 25085 1 1143 . 1 1 105 105 ARG CG C 13 28.342 0.050 . 1 . . . A 98 ARG CG . 25085 1 1144 . 1 1 105 105 ARG CD C 13 43.723 0.050 . 1 . . . A 98 ARG CD . 25085 1 1145 . 1 1 105 105 ARG N N 15 122.491 0.038 . 1 . . . A 98 ARG N . 25085 1 1146 . 1 1 106 106 ALA H H 1 7.519 0.004 . 1 . . . A 99 ALA H . 25085 1 1147 . 1 1 106 106 ALA HA H 1 4.276 0.007 . 1 . . . A 99 ALA HA . 25085 1 1148 . 1 1 106 106 ALA HB1 H 1 1.285 0.003 . 1 . . . A 99 ALA HB1 . 25085 1 1149 . 1 1 106 106 ALA HB2 H 1 1.285 0.003 . 1 . . . A 99 ALA HB2 . 25085 1 1150 . 1 1 106 106 ALA HB3 H 1 1.285 0.003 . 1 . . . A 99 ALA HB3 . 25085 1 1151 . 1 1 106 106 ALA C C 13 176.800 0.050 . 1 . . . A 99 ALA C . 25085 1 1152 . 1 1 106 106 ALA CA C 13 52.254 0.025 . 1 . . . A 99 ALA CA . 25085 1 1153 . 1 1 106 106 ALA CB C 13 18.270 0.049 . 1 . . . A 99 ALA CB . 25085 1 1154 . 1 1 106 106 ALA N N 15 119.546 0.015 . 1 . . . A 99 ALA N . 25085 1 1155 . 1 1 107 107 GLY H H 1 7.926 0.008 . 1 . . . A 100 GLY H . 25085 1 1156 . 1 1 107 107 GLY HA2 H 1 3.996 0.006 . 1 . . . A 100 GLY HA2 . 25085 1 1157 . 1 1 107 107 GLY HA3 H 1 3.685 0.009 . 1 . . . A 100 GLY HA3 . 25085 1 1158 . 1 1 107 107 GLY C C 13 174.232 0.050 . 1 . . . A 100 GLY C . 25085 1 1159 . 1 1 107 107 GLY CA C 13 45.050 0.016 . 1 . . . A 100 GLY CA . 25085 1 1160 . 1 1 107 107 GLY N N 15 106.339 0.040 . 1 . . . A 100 GLY N . 25085 1 1161 . 1 1 108 108 LEU H H 1 6.976 0.007 . 1 . . . A 101 LEU H . 25085 1 1162 . 1 1 108 108 LEU HA H 1 4.286 0.002 . 1 . . . A 101 LEU HA . 25085 1 1163 . 1 1 108 108 LEU HB2 H 1 0.309 0.007 . 1 . . . A 101 LEU HB2 . 25085 1 1164 . 1 1 108 108 LEU HB3 H 1 -0.339 0.003 . 1 . . . A 101 LEU HB3 . 25085 1 1165 . 1 1 108 108 LEU HG H 1 0.662 0.011 . 1 . . . A 101 LEU HG . 25085 1 1166 . 1 1 108 108 LEU HD11 H 1 -0.801 0.001 . 1 . . . A 101 LEU HD11 . 25085 1 1167 . 1 1 108 108 LEU HD12 H 1 -0.801 0.001 . 1 . . . A 101 LEU HD12 . 25085 1 1168 . 1 1 108 108 LEU HD13 H 1 -0.801 0.001 . 1 . . . A 101 LEU HD13 . 25085 1 1169 . 1 1 108 108 LEU HD21 H 1 0.263 0.006 . 1 . . . A 101 LEU HD21 . 25085 1 1170 . 1 1 108 108 LEU HD22 H 1 0.263 0.006 . 1 . . . A 101 LEU HD22 . 25085 1 1171 . 1 1 108 108 LEU HD23 H 1 0.263 0.006 . 1 . . . A 101 LEU HD23 . 25085 1 1172 . 1 1 108 108 LEU CA C 13 53.183 0.012 . 1 . . . A 101 LEU CA . 25085 1 1173 . 1 1 108 108 LEU CB C 13 37.320 0.022 . 1 . . . A 101 LEU CB . 25085 1 1174 . 1 1 108 108 LEU N N 15 122.181 0.016 . 1 . . . A 101 LEU N . 25085 1 1175 . 1 1 109 109 PRO HA H 1 4.476 0.002 . 1 . . . A 102 PRO HA . 25085 1 1176 . 1 1 109 109 PRO HB2 H 1 2.310 0.008 . 1 . . . A 102 PRO HB2 . 25085 1 1177 . 1 1 109 109 PRO HB3 H 1 1.892 0.007 . 1 . . . A 102 PRO HB3 . 25085 1 1178 . 1 1 109 109 PRO HG2 H 1 2.156 0.006 . 1 . . . A 102 PRO HG2 . 25085 1 1179 . 1 1 109 109 PRO HG3 H 1 2.011 0.005 . 1 . . . A 102 PRO HG3 . 25085 1 1180 . 1 1 109 109 PRO HD2 H 1 3.676 0.002 . 1 . . . A 102 PRO HD2 . 25085 1 1181 . 1 1 109 109 PRO HD3 H 1 3.545 0.002 . 1 . . . A 102 PRO HD3 . 25085 1 1182 . 1 1 109 109 PRO C C 13 177.424 0.050 . 1 . . . A 102 PRO C . 25085 1 1183 . 1 1 109 109 PRO CA C 13 64.014 0.014 . 1 . . . A 102 PRO CA . 25085 1 1184 . 1 1 109 109 PRO CB C 13 33.200 0.039 . 1 . . . A 102 PRO CB . 25085 1 1185 . 1 1 109 109 PRO CD C 13 50.712 0.015 . 1 . . . A 102 PRO CD . 25085 1 1186 . 1 1 110 110 VAL H H 1 8.073 0.005 . 1 . . . A 103 VAL H . 25085 1 1187 . 1 1 110 110 VAL HA H 1 4.643 0.007 . 1 . . . A 103 VAL HA . 25085 1 1188 . 1 1 110 110 VAL HB H 1 1.838 0.007 . 1 . . . A 103 VAL HB . 25085 1 1189 . 1 1 110 110 VAL HG11 H 1 0.779 0.001 . 1 . . . A 103 VAL HG11 . 25085 1 1190 . 1 1 110 110 VAL HG12 H 1 0.779 0.001 . 1 . . . A 103 VAL HG12 . 25085 1 1191 . 1 1 110 110 VAL HG13 H 1 0.779 0.001 . 1 . . . A 103 VAL HG13 . 25085 1 1192 . 1 1 110 110 VAL HG21 H 1 0.783 0.002 . 1 . . . A 103 VAL HG21 . 25085 1 1193 . 1 1 110 110 VAL HG22 H 1 0.783 0.002 . 1 . . . A 103 VAL HG22 . 25085 1 1194 . 1 1 110 110 VAL HG23 H 1 0.783 0.002 . 1 . . . A 103 VAL HG23 . 25085 1 1195 . 1 1 110 110 VAL C C 13 174.297 0.050 . 1 . . . A 103 VAL C . 25085 1 1196 . 1 1 110 110 VAL CA C 13 59.693 0.013 . 1 . . . A 103 VAL CA . 25085 1 1197 . 1 1 110 110 VAL CB C 13 35.980 0.064 . 1 . . . A 103 VAL CB . 25085 1 1198 . 1 1 110 110 VAL CG1 C 13 23.330 0.050 . 1 . . . A 103 VAL CG1 . 25085 1 1199 . 1 1 110 110 VAL CG2 C 13 18.231 0.050 . 1 . . . A 103 VAL CG2 . 25085 1 1200 . 1 1 110 110 VAL N N 15 110.512 0.035 . 1 . . . A 103 VAL N . 25085 1 1201 . 1 1 111 111 ALA H H 1 8.996 0.007 . 1 . . . A 104 ALA H . 25085 1 1202 . 1 1 111 111 ALA HA H 1 4.550 0.003 . 1 . . . A 104 ALA HA . 25085 1 1203 . 1 1 111 111 ALA HB1 H 1 0.662 0.006 . 1 . . . A 104 ALA HB1 . 25085 1 1204 . 1 1 111 111 ALA HB2 H 1 0.662 0.006 . 1 . . . A 104 ALA HB2 . 25085 1 1205 . 1 1 111 111 ALA HB3 H 1 0.662 0.006 . 1 . . . A 104 ALA HB3 . 25085 1 1206 . 1 1 111 111 ALA C C 13 176.190 0.050 . 1 . . . A 104 ALA C . 25085 1 1207 . 1 1 111 111 ALA CA C 13 50.699 0.028 . 1 . . . A 104 ALA CA . 25085 1 1208 . 1 1 111 111 ALA CB C 13 19.534 0.066 . 1 . . . A 104 ALA CB . 25085 1 1209 . 1 1 111 111 ALA N N 15 125.898 0.033 . 1 . . . A 104 ALA N . 25085 1 1210 . 1 1 112 112 VAL H H 1 8.276 0.009 . 1 . . . A 105 VAL H . 25085 1 1211 . 1 1 112 112 VAL HA H 1 4.615 0.002 . 1 . . . A 105 VAL HA . 25085 1 1212 . 1 1 112 112 VAL HB H 1 2.084 0.005 . 1 . . . A 105 VAL HB . 25085 1 1213 . 1 1 112 112 VAL HG11 H 1 0.887 0.003 . 1 . . . A 105 VAL HG11 . 25085 1 1214 . 1 1 112 112 VAL HG12 H 1 0.887 0.003 . 1 . . . A 105 VAL HG12 . 25085 1 1215 . 1 1 112 112 VAL HG13 H 1 0.887 0.003 . 1 . . . A 105 VAL HG13 . 25085 1 1216 . 1 1 112 112 VAL HG21 H 1 0.955 0.007 . 1 . . . A 105 VAL HG21 . 25085 1 1217 . 1 1 112 112 VAL HG22 H 1 0.955 0.007 . 1 . . . A 105 VAL HG22 . 25085 1 1218 . 1 1 112 112 VAL HG23 H 1 0.955 0.007 . 1 . . . A 105 VAL HG23 . 25085 1 1219 . 1 1 112 112 VAL C C 13 175.576 0.050 . 1 . . . A 105 VAL C . 25085 1 1220 . 1 1 112 112 VAL CA C 13 60.234 0.029 . 1 . . . A 105 VAL CA . 25085 1 1221 . 1 1 112 112 VAL CB C 13 34.683 0.040 . 1 . . . A 105 VAL CB . 25085 1 1222 . 1 1 112 112 VAL CG1 C 13 21.375 0.050 . 1 . . . A 105 VAL CG1 . 25085 1 1223 . 1 1 112 112 VAL CG2 C 13 19.907 0.050 . 1 . . . A 105 VAL CG2 . 25085 1 1224 . 1 1 112 112 VAL N N 15 119.534 0.080 . 1 . . . A 105 VAL N . 25085 1 1225 . 1 1 113 113 ASN H H 1 8.190 0.006 . 1 . . . A 106 ASN H . 25085 1 1226 . 1 1 113 113 ASN HA H 1 4.748 0.013 . 1 . . . A 106 ASN HA . 25085 1 1227 . 1 1 113 113 ASN HB2 H 1 2.885 0.002 . 1 . . . A 106 ASN HB2 . 25085 1 1228 . 1 1 113 113 ASN HB3 H 1 2.885 0.002 . 1 . . . A 106 ASN HB3 . 25085 1 1229 . 1 1 113 113 ASN C C 13 173.877 0.050 . 1 . . . A 106 ASN C . 25085 1 1230 . 1 1 113 113 ASN CA C 13 53.465 0.025 . 1 . . . A 106 ASN CA . 25085 1 1231 . 1 1 113 113 ASN CB C 13 39.424 0.017 . 1 . . . A 106 ASN CB . 25085 1 1232 . 1 1 113 113 ASN N N 15 123.346 0.014 . 1 . . . A 106 ASN N . 25085 1 1233 . 1 1 114 114 LYS H H 1 7.897 0.005 . 1 . . . A 107 LYS H . 25085 1 1234 . 1 1 114 114 LYS HA H 1 4.161 0.001 . 1 . . . A 107 LYS HA . 25085 1 1235 . 1 1 114 114 LYS HB2 H 1 1.792 0.003 . 1 . . . A 107 LYS HB2 . 25085 1 1236 . 1 1 114 114 LYS HB3 H 1 1.686 0.005 . 1 . . . A 107 LYS HB3 . 25085 1 1237 . 1 1 114 114 LYS HG2 H 1 1.373 0.006 . 1 . . . A 107 LYS HG2 . 25085 1 1238 . 1 1 114 114 LYS HG3 H 1 1.373 0.006 . 1 . . . A 107 LYS HG3 . 25085 1 1239 . 1 1 114 114 LYS CA C 13 57.752 0.050 . 1 . . . A 107 LYS CA . 25085 1 1240 . 1 1 114 114 LYS CB C 13 34.063 0.092 . 1 . . . A 107 LYS CB . 25085 1 1241 . 1 1 114 114 LYS N N 15 127.167 0.014 . 1 . . . A 107 LYS N . 25085 1 stop_ save_